#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dnf h SER 2 N 0.00 -0.53 -1.89 1.61 0.87 -2.15 -3.44 113.55 108.02 2dnf h SER 2 Ca 0.00 0.07 -0.53 0.00 -1.23 0.00 0.00 61.79 60.09 2dnf h SER 2 Cb 0.00 0.21 0.21 0.00 -0.44 0.00 0.00 62.40 62.38 2dnf h SER 2 CO 0.00 -0.26 -1.57 -0.24 -0.53 0.00 0.00 176.83 174.23 2dnf n SER 3 N -5.32 -5.06 -4.81 6.23 2.88 -1.26 -4.99 113.62 101.29 2dnf n SER 3 Ca -0.06 0.30 -0.29 0.00 -1.33 0.00 0.00 58.87 57.50 2dnf n SER 3 Cb 0.23 -0.75 -0.05 0.00 -0.75 0.00 0.00 64.21 62.90 2dnf n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2dnf s GLY 4 N -0.95 2.62 -0.23 0.46 0.00 -1.26 -5.14 107.32 102.82 2dnf s GLY 4 Ca 0.43 -1.10 -0.04 0.00 0.00 0.00 0.00 44.72 44.00 2dnf s GLY 4 CO 0.74 -2.04 0.40 -0.45 0.00 0.00 0.00 173.10 171.75 2dnf s SER 5 N -4.04 0.01 -0.71 1.64 0.15 -1.26 -5.10 113.70 104.39 2dnf s SER 5 Ca 0.25 0.52 -0.10 0.00 0.70 0.00 0.00 55.95 57.31 2dnf s SER 5 Cb 0.01 1.23 0.18 0.00 -1.71 0.00 0.00 66.02 65.73 2dnf s SER 5 CO 0.14 -0.27 0.61 -0.44 1.20 0.00 0.00 173.24 174.48 2dnf s SER 6 N 2.58 6.17 0.00 5.45 0.01 -1.26 -4.97 113.70 121.68 2dnf s SER 6 Ca 0.08 -2.58 0.00 0.00 1.31 0.00 0.00 55.95 54.76 2dnf s SER 6 Cb -0.14 -2.09 0.00 0.00 0.21 0.00 0.00 66.02 64.00 2dnf s SER 6 CO -0.15 -0.55 0.00 0.61 0.41 0.00 0.00 173.24 173.56 2dnf n GLY 7 N 4.04 5.42 3.37 3.44 0.00 -1.26 -5.08 105.19 115.12 2dnf n GLY 7 Ca 0.07 -0.85 -0.46 0.00 0.00 0.00 0.00 46.02 44.78 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 4.69 3.57 0.13 1.61 3.52 -1.26 -5.04 118.95 126.18 2dnf s ARG 8 Ca 0.00 -2.20 0.01 0.00 -0.13 0.00 0.00 55.73 53.41 2dnf s ARG 8 Cb 0.00 -4.57 -0.04 0.00 -1.56 0.00 0.00 34.95 28.78 2dnf s ARG 8 CO 0.00 -1.44 0.28 0.15 -0.81 0.00 0.00 175.30 173.48 2dnf s LYS 9 N 1.03 3.46 0.00 5.12 1.02 -1.26 -5.12 119.74 123.99 2dnf s LYS 9 Ca 0.22 -0.50 0.00 0.00 0.02 0.00 0.00 55.97 55.71 2dnf s LYS 9 Cb -0.09 -2.96 0.00 0.00 -0.52 0.00 0.00 37.83 34.25 2dnf s LYS 9 CO -0.08 0.52 0.00 -0.35 -0.92 0.00 0.00 175.35 174.52 2dnf n PRO 10 N -0.32 -0.38 -2.56 -1.68 -0.04 -1.26 -4.87 135.00 123.89 2dnf n PRO 10 Ca -0.06 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 62.98 2dnf n PRO 10 Cb 0.53 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 33.98 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 3.70 -0.62 1.53 1.43 -1.26 -4.92 118.68 118.54 2dnf s LEU 11 Ca 0.00 -2.04 -0.12 0.00 -1.03 0.00 0.00 54.13 50.93 2dnf s LEU 11 Cb 0.00 -2.58 0.16 0.00 0.03 0.00 0.00 46.19 43.80 2dnf s LEU 11 CO 0.00 -1.33 0.53 -1.58 0.23 0.00 0.00 176.35 174.21 2dnf s GLN 12 N 4.56 2.99 -0.13 1.70 -0.44 -1.26 -5.02 119.66 122.06 2dnf s GLN 12 Ca 0.51 -2.04 -0.11 0.00 -2.50 0.00 0.00 55.36 51.22 2dnf s GLN 12 Cb 0.02 -4.18 0.03 0.00 -1.64 0.00 0.00 33.01 27.25 2dnf s GLN 12 CO 0.01 -1.27 0.33 -2.00 0.50 0.00 0.00 175.29 172.87 2dnf s GLU 13 N 0.93 0.38 0.86 1.67 2.12 -1.26 -4.97 118.70 118.43 2dnf s GLU 13 Ca 0.10 0.49 -0.11 0.00 0.36 0.00 0.00 54.97 55.80 2dnf s GLU 13 Cb -0.22 0.16 0.11 0.00 0.26 0.00 0.00 34.13 34.43 2dnf s GLU 13 CO -0.02 -0.06 1.09 -1.25 -0.54 0.00 0.00 175.26 174.48 2dnf s PRO 14 N 0.32 1.54 -0.05 4.30 0.04 -1.26 -3.91 135.00 135.97 2dnf s PRO 14 Ca -0.01 0.92 -0.00 0.00 0.04 0.00 0.00 61.00 61.94 2dnf s PRO 14 Cb -0.03 -1.83 0.03 0.00 0.04 0.00 0.00 34.50 32.70 2dnf s PRO 14 CO -0.01 -2.07 0.00 0.00 0.04 0.00 0.00 177.00 174.96 2dnf s THR 16 N 1.47 4.72 0.13 0.00 2.01 -1.26 -1.95 115.64 120.76 2dnf s THR 16 Ca -0.03 0.76 0.08 0.00 0.31 0.00 0.00 61.69 62.81 2dnf s THR 16 Cb -0.13 -4.23 -0.04 0.00 0.01 0.00 0.00 72.50 68.11 2dnf s THR 16 CO -0.03 -0.50 -0.19 0.27 -0.69 0.00 0.00 174.62 173.48 2dnf s ILE 17 N 3.14 1.71 -0.03 1.82 -4.36 -0.95 -1.54 121.20 121.00 2dnf s ILE 17 Ca 0.31 -1.73 -0.10 0.00 -0.26 0.00 0.00 60.65 58.87 2dnf s ILE 17 Cb -0.13 -1.68 -0.05 0.00 1.25 0.00 0.00 42.46 41.85 2dnf s ILE 17 CO 0.18 -0.22 0.29 -0.36 0.24 0.00 0.00 174.94 175.07 2dnf s PHE 18 N -1.67 3.64 0.21 1.37 0.08 0.42 -0.25 117.98 121.79 2dnf s PHE 18 Ca 0.11 0.73 0.11 0.00 0.12 0.00 0.00 56.93 58.00 2dnf s PHE 18 Cb -0.08 -2.10 -0.04 0.00 -0.57 0.00 0.00 43.02 40.23 2dnf s PHE 18 CO 0.05 0.66 -0.19 -0.51 -0.10 0.00 0.00 175.22 175.13 2dnf s LEU 19 N -1.26 2.61 -0.10 -0.37 2.01 -1.03 -0.28 118.68 120.26 2dnf s LEU 19 Ca 0.22 -0.83 -0.08 0.00 0.01 0.00 0.00 54.13 53.45 2dnf s LEU 19 Cb -0.14 -1.28 0.03 0.00 0.01 0.00 0.00 46.19 44.81 2dnf s LEU 19 CO 0.11 0.09 0.26 -0.63 1.01 0.00 0.00 176.35 177.19 2dnf s ILE 20 N -1.89 -0.01 0.03 -0.59 1.01 -1.00 -1.22 121.20 117.54 2dnf s ILE 20 Ca 0.24 0.04 -0.30 0.00 0.00 0.00 0.00 60.65 60.63 2dnf s ILE 20 Cb -0.07 -0.38 -0.08 0.00 0.01 0.00 0.00 42.46 41.94 2dnf s ILE 20 CO 0.12 0.02 1.72 0.00 0.00 0.00 0.00 174.94 176.80 2dnf s ALA 21 N 0.46 3.65 0.16 9.38 0.00 -1.26 -1.15 121.76 133.00 2dnf s ALA 21 Ca -0.03 1.17 -0.33 0.00 0.00 0.00 0.00 51.96 52.77 2dnf s ALA 21 Cb -0.04 -3.74 -0.16 0.00 0.00 0.00 0.00 23.12 19.18 2dnf s ALA 21 CO -0.02 -1.27 1.20 -1.71 0.00 0.00 0.00 175.76 173.95 2dnf n ASN 22 N 6.34 1.44 -2.61 0.00 5.15 -1.16 -0.66 115.26 123.76 2dnf n ASN 22 Ca 0.17 1.14 -0.21 0.00 -0.60 0.00 0.00 54.58 55.07 2dnf n ASN 22 Cb 0.41 -1.22 0.01 0.00 -0.53 0.00 0.00 39.78 38.45 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 2.09 -0.50 3.10 8.20 0.00 -1.26 -4.93 105.19 111.89 2dnf n GLY 23 Ca 0.15 0.04 -0.33 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.31 4.10 0.00 1.61 -1.08 0.16 -4.94 116.67 114.22 2dnf s ASP 24 Ca 0.12 -1.15 0.05 0.00 -0.52 0.00 0.00 52.55 51.05 2dnf s ASP 24 Cb -0.05 -1.55 0.06 0.00 -1.46 0.00 0.00 42.92 39.93 2dnf s ASP 24 CO 0.14 -0.14 0.78 0.18 0.52 0.00 0.00 175.17 176.66 2dnf n LEU 25 N 4.51 1.68 -0.08 -1.34 4.77 -1.26 -4.59 117.00 120.68 2dnf n LEU 25 Ca -0.16 -1.27 -0.13 0.00 -0.03 0.00 0.00 56.01 54.42 2dnf n LEU 25 Cb 0.45 -0.03 -0.14 0.00 -2.33 0.00 0.00 43.42 41.36 2dnf n LEU 25 CO 0.23 0.38 -1.05 -0.38 -1.33 0.00 0.00 177.39 175.24 2dnf n ILE 26 N 0.19 1.49 -4.08 -0.08 2.08 -1.26 -4.93 119.36 112.78 2dnf n ILE 26 Ca 0.03 -0.76 -0.35 0.00 0.56 0.00 0.00 62.75 62.23 2dnf n ILE 26 Cb 0.18 -0.92 -0.08 0.00 -0.75 0.00 0.00 39.64 38.06 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 -6.00 5.77 1.03 4.38 0.01 -1.26 -5.11 114.94 113.76 2dnf s ASN 27 Ca -0.16 0.24 -0.03 0.00 -0.71 0.00 0.00 52.86 52.20 2dnf s ASN 27 Cb 0.07 -1.84 0.04 0.00 0.41 0.00 0.00 41.25 39.93 2dnf s ASN 27 CO 0.77 0.32 0.15 -0.81 -1.51 0.00 0.00 177.10 176.02 2dnf n PRO 28 N 2.55 -1.31 -2.33 -0.60 -0.04 -1.26 -4.83 135.00 127.18 2dnf n PRO 28 Ca -0.18 -0.24 -0.26 0.00 -0.04 0.00 0.00 63.50 62.78 2dnf n PRO 28 Cb 0.54 -0.22 0.14 0.00 -0.04 0.00 0.00 33.50 33.92 2dnf n PRO 28 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2dnf s ALA 29 N -2.98 3.12 -0.16 0.55 0.00 -1.26 -4.74 121.76 116.28 2dnf s ALA 29 Ca 0.10 -1.55 -0.04 0.00 0.00 0.00 0.00 51.96 50.46 2dnf s ALA 29 Cb -0.01 -2.30 0.06 0.00 0.00 0.00 0.00 23.12 20.88 2dnf s ALA 29 CO 0.07 -1.88 0.12 -1.12 0.00 0.00 0.00 175.76 172.96 2dnf s SER 30 N -4.81 1.96 -0.48 0.00 0.01 -0.35 -4.91 113.70 105.12 2dnf s SER 30 Ca 0.70 -0.43 -0.27 0.00 1.31 0.00 0.00 55.95 57.26 2dnf s SER 30 Cb -0.04 -0.06 -0.08 0.00 0.21 0.00 0.00 66.02 66.04 2dnf s SER 30 CO 0.48 -0.33 2.39 -1.14 0.41 0.00 0.00 173.24 175.05 2dnf n ARG 31 N 5.29 1.12 -3.93 12.44 0.63 -1.26 -2.47 116.66 128.48 2dnf n ARG 31 Ca -0.06 0.11 -0.35 0.00 -0.92 0.00 0.00 57.85 56.63 2dnf n ARG 31 Cb 0.49 -3.19 -0.14 0.00 0.45 0.00 0.00 32.46 30.07 2dnf n ARG 31 CO 0.00 0.00 0.00 -1.17 -2.51 0.00 0.00 177.63 173.95 2dnf s LEU 32 N 10.97 2.99 0.12 6.15 1.98 0.66 -4.96 118.68 136.59 2dnf s LEU 32 Ca 1.03 -0.61 -0.19 0.00 -2.89 0.00 0.00 54.13 51.47 2dnf s LEU 32 Cb -0.34 -1.70 -0.07 0.00 0.66 0.00 0.00 46.19 44.74 2dnf s LEU 32 CO 0.31 -0.07 0.61 -0.22 -1.89 0.00 0.00 176.35 175.09 2dnf s LEU 33 N 1.41 4.47 -0.15 -0.68 2.96 -1.26 -2.23 118.68 123.19 2dnf s LEU 33 Ca 0.04 1.28 -0.01 0.00 -0.22 0.00 0.00 54.13 55.22 2dnf s LEU 33 Cb -0.15 -3.12 0.04 0.00 0.50 0.00 0.00 46.19 43.46 2dnf s LEU 33 CO -0.04 0.20 -0.05 -0.63 -1.32 0.00 0.00 176.35 174.50 2dnf s ILE 34 N -1.25 1.06 0.27 6.68 1.01 -0.82 -4.97 121.20 123.17 2dnf s ILE 34 Ca 0.34 -0.54 -0.29 0.00 0.00 0.00 0.00 60.65 60.15 2dnf s ILE 34 Cb -0.18 -1.21 -0.10 0.00 0.01 0.00 0.00 42.46 40.98 2dnf s ILE 34 CO 0.20 0.17 1.25 -2.16 0.00 0.00 0.00 174.94 174.40 2dnf s PRO 35 N 1.66 4.44 0.25 2.79 0.04 -1.26 -1.98 135.00 140.94 2dnf s PRO 35 Ca 0.02 2.05 -0.05 0.00 0.04 0.00 0.00 61.00 63.05 2dnf s PRO 35 Cb -0.15 -3.14 0.44 0.00 0.04 0.00 0.00 34.50 31.69 2dnf s PRO 35 CO -0.08 -0.10 1.35 -2.13 0.04 0.00 0.00 177.00 176.08 2dnf n ARG 36 N 1.52 -0.08 -0.23 4.56 3.00 -1.25 0.11 116.66 124.29 2dnf n ARG 36 Ca 0.02 1.34 0.02 0.00 -0.00 0.00 0.00 57.85 59.22 2dnf n ARG 36 Cb 0.43 -2.02 0.11 0.00 0.00 0.00 0.00 32.46 30.97 2dnf n ARG 36 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.63 177.41 2dnf h LYS 37 N 0.00 0.07 -0.09 -0.14 1.63 -1.93 0.11 116.57 116.22 2dnf h LYS 37 Ca 0.43 -0.00 -0.15 0.00 -0.85 0.00 0.00 60.65 60.08 2dnf h LYS 37 Cb 0.71 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 32.32 2dnf h LYS 37 CO -0.88 0.04 -0.61 1.15 -3.45 0.00 0.00 179.45 175.71 2dnf h THR 38 N 0.07 1.37 0.00 1.00 2.02 0.40 -2.84 112.91 114.93 2dnf h THR 38 Ca 0.35 -1.96 0.00 0.00 0.77 0.00 0.00 66.41 65.57 2dnf h THR 38 Cb 0.57 1.96 0.00 0.00 -1.74 0.00 0.00 68.15 68.95 2dnf h THR 38 CO -0.63 0.59 0.00 0.18 0.37 0.00 0.00 175.52 176.03 2dnf n LEU 39 N -3.89 0.31 0.09 2.58 4.77 0.34 -0.34 117.00 120.87 2dnf n LEU 39 Ca -0.03 0.64 0.12 0.00 -0.03 0.00 0.00 56.01 56.71 2dnf n LEU 39 Cb 0.62 -0.68 0.08 0.00 -2.33 0.00 0.00 43.42 41.12 2dnf n LEU 39 CO 0.45 -0.73 0.20 0.78 -1.33 0.00 0.00 177.39 176.76 2dnf h ASN 40 N 0.00 0.00 -3.94 -1.43 2.35 -1.16 -3.37 115.58 108.03 2dnf h ASN 40 Ca 0.00 -0.11 -0.69 0.00 -0.55 0.00 0.00 56.30 54.96 2dnf h ASN 40 Cb 0.02 0.00 -0.22 0.00 0.05 0.00 0.00 38.32 38.17 2dnf h ASN 40 CO 0.00 0.05 -0.84 -1.10 -1.65 0.00 0.00 177.43 173.89 2dnf s GLN 41 N -3.27 1.68 -0.24 0.81 -0.21 0.54 -5.00 119.66 113.97 2dnf s GLN 41 Ca 0.03 -1.20 -0.00 0.00 0.02 0.00 0.00 55.36 54.21 2dnf s GLN 41 Cb 0.11 -2.02 -0.18 0.00 1.00 0.00 0.00 33.01 31.92 2dnf s GLN 41 CO 0.76 0.48 -0.16 1.87 -2.12 0.00 0.00 175.29 176.12 2dnf n TRP 42 N 1.14 0.16 0.36 0.91 -0.00 -1.26 -3.56 117.44 115.20 2dnf n TRP 42 Ca -0.17 0.04 0.12 0.00 -0.00 0.00 0.00 57.50 57.49 2dnf n TRP 42 Cb 0.53 -1.02 0.52 0.00 -0.00 0.00 0.00 31.31 31.34 2dnf n TRP 42 CO 0.00 0.00 0.00 0.22 -0.00 0.00 0.00 177.69 177.91 2dnf h ASP 43 N -0.05 0.00 0.15 5.87 3.58 -1.96 -0.98 116.42 123.03 2dnf h ASP 43 Ca -0.57 0.00 -0.36 0.00 0.42 0.00 0.00 57.03 56.53 2dnf h ASP 43 Cb 1.90 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 42.90 2dnf h ASP 43 CO -0.09 0.00 -2.11 1.41 -2.88 0.00 0.00 179.24 175.57 2dnf n HIS 44 N -2.31 0.73 -0.02 0.28 8.25 -1.26 -3.91 115.22 116.98 2dnf n HIS 44 Ca 0.02 0.18 -0.16 0.00 -0.26 0.00 0.00 57.72 57.50 2dnf n HIS 44 Cb 0.21 -1.11 -0.10 0.00 1.12 0.00 0.00 29.99 30.12 2dnf n HIS 44 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 2dnf h VAL 45 N 0.03 1.41 0.00 1.59 3.04 -1.56 -3.03 116.25 117.74 2dnf h VAL 45 Ca -0.45 -1.88 -0.00 0.00 -1.01 0.00 0.00 66.70 63.35 2dnf h VAL 45 Cb 2.02 2.39 -0.00 0.00 -2.01 0.00 0.00 31.29 33.69 2dnf h VAL 45 CO 0.03 0.55 -0.01 -0.07 -1.01 0.00 0.00 177.57 177.06 2dnf h LEU 46 N -0.06 0.00 0.00 3.16 -0.00 -1.39 0.25 115.31 117.27 2dnf h LEU 46 Ca -0.04 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.81 2dnf h LEU 46 Cb 1.14 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.80 2dnf h LEU 46 CO 0.10 0.01 -0.41 -0.61 -0.00 0.00 0.00 178.44 177.53 2dnf h GLN 47 N 0.00 0.00 0.06 1.13 5.75 -1.66 -3.23 115.11 117.15 2dnf h GLN 47 Ca -0.00 0.00 -0.37 0.00 -0.15 0.00 0.00 58.65 58.13 2dnf h GLN 47 Cb 0.05 0.00 -0.04 0.00 1.07 0.00 0.00 27.48 28.56 2dnf h GLN 47 CO 0.00 0.09 -2.16 -1.33 -2.65 0.00 0.00 178.83 172.78 2dnf n MET 48 N -3.00 0.70 0.08 1.69 2.81 0.02 -4.36 117.12 115.06 2dnf n MET 48 Ca 0.02 0.20 -0.12 0.00 -1.81 0.00 0.00 57.70 56.00 2dnf n MET 48 Cb 0.58 -1.64 -0.06 0.00 -0.71 0.00 0.00 33.22 31.40 2dnf n MET 48 CO 0.00 0.00 0.00 -0.24 1.51 0.00 0.00 175.97 177.24 2dnf h VAL 49 N 0.03 0.74 -0.89 2.03 3.04 -0.72 -2.72 116.25 117.75 2dnf h VAL 49 Ca -0.47 0.00 0.21 0.00 -1.01 0.00 0.00 66.70 65.43 2dnf h VAL 49 Cb 2.01 0.74 -0.17 0.00 -2.01 0.00 0.00 31.29 31.86 2dnf h VAL 49 CO 0.02 0.00 -0.09 0.74 -1.01 0.00 0.00 177.57 177.24 2dnf h THR 50 N -0.22 0.13 -0.84 3.17 2.02 -1.75 0.30 112.91 115.74 2dnf h THR 50 Ca 0.02 -0.01 0.33 0.00 0.77 0.00 0.00 66.41 67.52 2dnf h THR 50 Cb 0.24 0.10 -0.15 0.00 -1.74 0.00 0.00 68.15 66.60 2dnf h THR 50 CO -0.07 0.01 0.38 -0.62 0.37 0.00 0.00 175.52 175.59 2dnf n GLU 51 N -5.49 -0.05 -0.00 6.66 1.02 -1.02 0.51 120.64 122.25 2dnf n GLU 51 Ca 0.17 1.17 -0.20 0.00 -0.02 0.00 0.00 57.16 58.28 2dnf n GLU 51 Cb 0.56 -2.06 -0.14 0.00 -0.02 0.00 0.00 31.44 29.77 2dnf n GLU 51 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 2dnf h LYS 52 N 0.00 0.20 -4.14 3.49 6.56 -0.56 -3.42 116.57 118.70 2dnf h LYS 52 Ca 0.68 -0.34 -0.70 0.00 -1.06 0.00 0.00 60.65 59.23 2dnf h LYS 52 Cb 1.75 0.13 -0.34 0.00 -0.57 0.00 0.00 32.23 33.20 2dnf h LYS 52 CO -0.67 1.16 -0.46 0.42 -2.06 0.00 0.00 179.45 177.85 2dnf s ILE 53 N -2.42 3.58 -0.59 1.86 -1.09 0.18 -4.94 121.20 117.79 2dnf s ILE 53 Ca -0.19 -2.35 -0.18 0.00 -2.23 0.00 0.00 60.65 55.70 2dnf s ILE 53 Cb 0.03 -3.39 0.11 0.00 -1.58 0.00 0.00 42.46 37.63 2dnf s ILE 53 CO 0.75 -0.77 0.66 -0.89 -1.23 0.00 0.00 174.94 173.46 2dnf s THR 54 N 0.73 4.92 0.29 2.92 2.01 -1.06 -4.32 115.64 121.13 2dnf s THR 54 Ca 0.11 -1.14 -0.29 0.00 0.31 0.00 0.00 61.69 60.68 2dnf s THR 54 Cb -0.22 -4.46 -0.10 0.00 0.01 0.00 0.00 72.50 67.73 2dnf s THR 54 CO -0.04 -1.07 1.33 -0.76 -0.69 0.00 0.00 174.62 173.39 2dnf s LEU 55 N 2.39 4.42 0.33 4.42 1.02 -1.04 -4.90 118.68 125.32 2dnf s LEU 55 Ca 0.10 2.62 0.09 0.00 0.02 0.00 0.00 54.13 56.95 2dnf s LEU 55 Cb -0.25 -3.64 0.81 0.00 0.02 0.00 0.00 46.19 43.13 2dnf s LEU 55 CO 0.05 -0.55 1.80 -0.09 0.02 0.00 0.00 176.35 177.57 2dnf h ARG 56 N 4.07 0.67 0.00 1.70 2.43 -1.98 0.40 114.38 121.68 2dnf h ARG 56 Ca -0.48 -0.04 -0.05 0.00 -0.81 0.00 0.00 59.98 58.60 2dnf h ARG 56 Cb 1.22 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 30.61 2dnf h ARG 56 CO 0.70 0.45 -0.26 0.66 -1.51 0.00 0.00 179.97 180.01 2dnf h SER 57 N 0.69 0.00 0.00 -3.80 4.64 -2.03 -3.48 113.55 109.57 2dnf h SER 57 Ca 0.55 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.87 2dnf h SER 57 Cb 0.95 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.04 2dnf h SER 57 CO -0.33 0.26 0.00 0.61 -0.87 0.00 0.00 176.83 176.50 2dnf n GLY 58 N -0.41 -0.62 3.59 -0.77 0.00 0.14 -5.09 105.19 102.04 2dnf n GLY 58 Ca -0.01 0.19 -0.27 0.00 0.00 0.00 0.00 46.02 45.93 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 3.20 0.16 4.61 0.00 -1.26 -2.51 121.76 124.96 2dnf s ALA 59 Ca 0.00 -1.31 -0.08 0.00 0.00 0.00 0.00 51.96 50.56 2dnf s ALA 59 Cb 0.00 0.43 -0.06 0.00 0.00 0.00 0.00 23.12 23.48 2dnf s ALA 59 CO 0.00 -0.20 0.46 0.54 0.00 0.00 0.00 175.76 176.55 2dnf s VAL 60 N -3.05 5.04 0.00 0.00 0.11 -1.26 -4.25 120.40 116.98 2dnf s VAL 60 Ca 0.23 0.35 0.00 0.00 -2.93 0.00 0.00 61.98 59.63 2dnf s VAL 60 Cb 0.05 -3.63 0.00 0.00 -1.53 0.00 0.00 36.38 31.26 2dnf s VAL 60 CO 0.12 0.07 0.00 1.41 -3.33 0.00 0.00 175.10 173.37 2dnf n HIS 61 N 0.25 0.00 -4.53 1.54 8.25 -1.12 -4.83 115.22 114.78 2dnf n HIS 61 Ca -0.03 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.17 2dnf n HIS 61 Cb 0.52 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.56 2dnf n HIS 61 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2dnf n ARG 62 N -1.25 0.64 -3.98 -0.41 1.74 -0.11 -5.02 116.66 108.27 2dnf n ARG 62 Ca 0.00 -3.37 -0.14 0.00 -0.77 0.00 0.00 57.85 53.57 2dnf n ARG 62 Cb 0.12 1.62 -0.15 0.00 -1.02 0.00 0.00 32.46 33.03 2dnf n ARG 62 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2dnf s LEU 63 N 0.00 1.82 -0.00 0.55 2.01 -1.26 -2.71 118.68 119.09 2dnf s LEU 63 Ca 0.16 -0.04 0.01 0.00 0.01 0.00 0.00 54.13 54.26 2dnf s LEU 63 Cb 0.01 -0.14 -0.00 0.00 0.01 0.00 0.00 46.19 46.06 2dnf s LEU 63 CO 0.11 0.00 -0.02 -0.31 1.01 0.00 0.00 176.35 177.14 2dnf s TYR 64 N 0.18 0.17 0.49 0.29 1.51 0.50 -0.10 117.35 120.39 2dnf s TYR 64 Ca -0.01 -0.03 0.00 0.00 -1.01 0.00 0.00 57.07 56.01 2dnf s TYR 64 Cb -0.04 -0.11 0.01 0.00 -0.11 0.00 0.00 41.96 41.71 2dnf s TYR 64 CO -0.00 -0.00 0.71 0.95 -1.11 0.00 0.00 175.55 176.10 2dnf s THR 65 N -0.03 3.63 0.51 -0.71 -4.23 0.81 0.13 115.64 115.75 2dnf s THR 65 Ca 0.01 -0.50 0.19 0.00 -1.18 0.00 0.00 61.69 60.20 2dnf s THR 65 Cb -0.01 -3.35 0.27 0.00 1.34 0.00 0.00 72.50 70.75 2dnf s THR 65 CO -0.00 -0.26 2.13 -0.07 -0.54 0.00 0.00 174.62 175.89 2dnf h LEU 66 N 0.27 0.00 -1.02 4.79 4.07 -1.90 -0.11 115.31 121.42 2dnf h LEU 66 Ca -0.45 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.51 2dnf h LEU 66 Cb 1.26 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.00 2dnf h LEU 66 CO 0.56 0.05 0.00 -0.33 -1.08 0.00 0.00 178.44 177.64 2dnf h GLU 67 N 0.00 0.00 0.00 1.13 4.39 -1.95 -3.46 114.58 114.68 2dnf h GLU 67 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2dnf h GLU 67 Cb 0.09 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.74 2dnf h GLU 67 CO 0.01 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 178.27 2dnf n GLY 68 N 0.22 1.30 3.89 -3.84 0.00 -0.05 -5.10 105.19 101.61 2dnf n GLY 68 Ca 0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.22 3.49 -0.03 1.61 2.47 -1.25 -4.86 119.74 120.95 2dnf s LYS 69 Ca 0.00 -0.19 -0.08 0.00 -1.56 0.00 0.00 55.97 54.14 2dnf s LYS 69 Cb 0.00 -3.11 -0.05 0.00 -1.46 0.00 0.00 37.83 33.21 2dnf s LYS 69 CO 0.00 0.69 0.25 -1.17 0.16 0.00 0.00 175.35 175.28 2dnf s LEU 70 N -1.67 4.39 -0.52 5.43 2.96 -1.26 -0.13 118.68 127.87 2dnf s LEU 70 Ca 0.25 0.58 -0.06 0.00 -0.22 0.00 0.00 54.13 54.67 2dnf s LEU 70 Cb -0.13 -2.51 0.14 0.00 0.50 0.00 0.00 46.19 44.19 2dnf s LEU 70 CO 0.15 0.30 0.37 -0.69 -1.32 0.00 0.00 176.35 175.15 2dnf s VAL 71 N -1.21 3.94 -0.17 1.68 1.01 0.85 -4.91 120.40 121.60 2dnf s VAL 71 Ca 0.24 -2.23 0.25 0.00 0.00 0.00 0.00 61.98 60.24 2dnf s VAL 71 Cb -0.13 -3.60 0.30 0.00 0.00 0.00 0.00 36.38 32.95 2dnf s VAL 71 CO 0.13 -0.80 1.72 -0.33 0.00 0.00 0.00 175.10 175.82 2dnf h GLU 72 N 7.91 0.00 -4.25 2.72 5.08 -1.98 -3.36 114.58 120.71 2dnf h GLU 72 Ca -0.11 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 57.98 2dnf h GLU 72 Cb 1.03 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 30.18 2dnf h GLU 72 CO 0.77 0.11 -0.30 -1.54 -1.00 0.00 0.00 179.01 177.05 2dnf s SER 73 N -6.10 0.75 -0.03 1.42 1.04 -1.26 -5.02 113.70 104.50 2dnf s SER 73 Ca 0.04 -1.43 0.00 0.00 0.48 0.00 0.00 55.95 55.05 2dnf s SER 73 Cb 0.07 0.59 0.04 0.00 0.10 0.00 0.00 66.02 66.82 2dnf s SER 73 CO 0.64 -1.16 1.02 0.61 0.98 0.00 0.00 173.24 175.33 2dnf n GLY 74 N -0.50 2.11 0.01 7.32 0.00 -1.26 -3.41 105.19 109.46 2dnf n GLY 74 Ca 0.02 -0.07 0.09 0.00 0.00 0.00 0.00 46.02 46.07 2dnf n GLY 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dnf n ALA 75 N 0.37 2.91 -0.90 4.61 0.00 -1.26 -4.32 120.51 121.93 2dnf n ALA 75 Ca 0.04 -0.46 -0.10 0.00 0.00 0.00 0.00 53.44 52.92 2dnf n ALA 75 Cb 0.55 -0.66 0.25 0.00 0.00 0.00 0.00 19.45 19.60 2dnf n ALA 75 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2dnf n GLU 76 N -2.08 3.17 -3.14 0.00 1.02 -1.22 -4.95 120.64 113.45 2dnf n GLU 76 Ca -0.03 -2.79 -0.19 0.00 -0.02 0.00 0.00 57.16 54.13 2dnf n GLU 76 Cb 0.47 -2.13 0.01 0.00 -0.02 0.00 0.00 31.44 29.78 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 -2.79 3.45 0.13 -4.62 1.43 -1.26 -4.98 118.68 110.05 2dnf s LEU 77 Ca 0.51 -0.60 -0.22 0.00 -1.03 0.00 0.00 54.13 52.79 2dnf s LEU 77 Cb 0.41 -2.27 0.06 0.00 0.03 0.00 0.00 46.19 44.42 2dnf s LEU 77 CO 0.12 -0.89 0.56 -0.70 0.23 0.00 0.00 176.35 175.67 2dnf s GLU 78 N -4.39 1.21 -0.10 1.70 2.56 -1.26 -5.13 118.70 113.28 2dnf s GLU 78 Ca 0.55 -0.45 -0.24 0.00 0.00 0.00 0.00 54.97 54.82 2dnf s GLU 78 Cb -0.08 0.55 -0.03 0.00 2.00 0.00 0.00 34.13 36.58 2dnf s GLU 78 CO 0.33 -0.50 0.74 1.21 -0.56 0.00 0.00 175.26 176.48 2dnf s ASN 79 N -2.61 6.97 -0.40 -1.70 3.04 -1.26 -3.81 114.94 115.16 2dnf s ASN 79 Ca 0.00 1.17 -0.01 0.00 0.04 0.00 0.00 52.86 54.07 2dnf s ASN 79 Cb -0.00 -2.42 0.00 0.00 -1.54 0.00 0.00 41.25 37.28 2dnf s ASN 79 CO -0.11 -0.21 0.07 0.61 -3.04 0.00 0.00 177.10 174.42 2dnf n GLY 80 N 3.26 0.27 3.61 1.21 0.00 -0.59 -5.04 105.19 107.92 2dnf n GLY 80 Ca 0.01 -0.62 -0.28 0.00 0.00 0.00 0.00 46.02 45.13 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 -4.52 1.94 0.03 1.61 -1.52 -1.25 -4.97 119.66 110.98 2dnf s GLN 81 Ca 0.04 -2.10 0.04 0.00 -1.95 0.00 0.00 55.36 51.38 2dnf s GLN 81 Cb -0.02 -1.58 -0.04 0.00 -0.22 0.00 0.00 33.01 31.15 2dnf s GLN 81 CO 0.04 -0.06 -0.05 -0.06 -0.25 0.00 0.00 175.29 174.91 2dnf s PHE 82 N -2.75 2.92 -0.13 0.91 0.08 -1.26 -0.44 117.98 117.31 2dnf s PHE 82 Ca 0.35 -0.03 -0.05 0.00 0.12 0.00 0.00 56.93 57.32 2dnf s PHE 82 Cb 0.10 -1.59 0.06 0.00 -0.57 0.00 0.00 43.02 41.02 2dnf s PHE 82 CO 0.18 0.41 0.28 0.71 -0.10 0.00 0.00 175.22 176.70 2dnf s TYR 83 N -1.09 -0.45 0.03 0.36 1.51 0.62 -4.50 117.35 113.84 2dnf s TYR 83 Ca 0.19 1.00 -0.28 0.00 -1.01 0.00 0.00 57.07 56.97 2dnf s TYR 83 Cb -0.11 0.03 -0.04 0.00 -0.11 0.00 0.00 41.96 41.73 2dnf s TYR 83 CO 0.10 -0.34 0.90 0.08 -1.11 0.00 0.00 175.55 175.19 2dnf s VAL 84 N 2.08 4.78 -0.49 0.71 1.01 0.34 -2.38 120.40 126.46 2dnf s VAL 84 Ca -0.02 1.91 -0.22 0.00 0.00 0.00 0.00 61.98 63.64 2dnf s VAL 84 Cb -0.11 -4.25 0.04 0.00 0.00 0.00 0.00 36.38 32.05 2dnf s VAL 84 CO -0.09 0.24 0.78 0.00 0.00 0.00 0.00 175.10 176.03 2dnf s ALA 85 N 0.56 3.28 -0.29 5.51 0.00 -0.30 -0.37 121.76 130.16 2dnf s ALA 85 Ca 0.47 -1.25 -0.14 0.00 0.00 0.00 0.00 51.96 51.04 2dnf s ALA 85 Cb -0.21 -3.50 -0.03 0.00 0.00 0.00 0.00 23.12 19.38 2dnf s ALA 85 CO 0.26 -2.05 0.32 0.08 0.00 0.00 0.00 175.76 174.37 2dnf s VAL 86 N 3.27 5.21 0.00 0.00 1.01 -1.10 -2.99 120.40 125.80 2dnf s VAL 86 Ca 0.26 0.32 0.00 0.00 0.00 0.00 0.00 61.98 62.56 2dnf s VAL 86 Cb -0.14 -3.68 0.00 0.00 0.00 0.00 0.00 36.38 32.56 2dnf s VAL 86 CO 0.19 0.12 0.00 0.61 0.00 0.00 0.00 175.10 176.02 2dnf n GLY 87 N 4.86 0.83 0.39 4.51 0.00 -1.26 -0.93 105.19 113.60 2dnf n GLY 87 Ca -0.10 -1.68 0.20 0.00 0.00 0.00 0.00 46.02 44.44 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 -7.32 1.61 2.47 -1.94 -3.41 114.38 105.78 2dnf h ARG 88 Ca 0.00 0.00 -0.49 0.00 -1.26 0.00 0.00 59.98 58.23 2dnf h ARG 88 Cb 0.00 0.00 0.06 0.00 -1.65 0.00 0.00 29.97 28.38 2dnf h ARG 88 CO 0.00 0.00 0.33 -0.51 0.56 0.00 0.00 179.97 180.35 2dnf s ASP 89 N -4.97 5.73 1.00 7.04 1.11 -1.26 -5.06 116.67 120.25 2dnf s ASP 89 Ca -0.04 1.08 -0.13 0.00 0.18 0.00 0.00 52.55 53.64 2dnf s ASP 89 Cb 0.14 -2.03 0.19 0.00 1.07 0.00 0.00 42.92 42.29 2dnf s ASP 89 CO 0.50 -1.10 1.11 -1.59 1.18 0.00 0.00 175.17 175.26 2dnf s LYS 90 N -5.18 0.42 -0.53 8.23 0.00 -1.26 -4.94 119.74 116.48 2dnf s LYS 90 Ca 0.55 0.39 -0.22 0.00 0.00 0.00 0.00 55.97 56.69 2dnf s LYS 90 Cb -0.11 -1.75 0.05 0.00 0.00 0.00 0.00 37.83 36.02 2dnf s LYS 90 CO 0.50 -2.71 0.81 0.12 0.00 0.00 0.00 175.35 174.07 2dnf s PHE 91 N -3.05 2.90 -1.25 1.78 5.36 -1.26 -4.85 117.98 117.61 2dnf s PHE 91 Ca 0.66 -0.22 -0.20 0.00 -0.96 0.00 0.00 56.93 56.21 2dnf s PHE 91 Cb -0.17 -3.85 0.00 0.00 -0.34 0.00 0.00 43.02 38.67 2dnf s PHE 91 CO 0.56 -1.22 1.81 0.15 -1.46 0.00 0.00 175.22 175.07 2dnf s LYS 92 N 3.41 3.36 -0.50 10.12 1.02 -1.26 -4.91 119.74 130.98 2dnf s LYS 92 Ca 0.24 -1.63 -0.45 0.00 0.02 0.00 0.00 55.97 54.15 2dnf s LYS 92 Cb -0.15 -5.41 -0.19 0.00 -0.52 0.00 0.00 37.83 31.55 2dnf s LYS 92 CO 0.16 -2.97 1.97 1.17 -0.92 0.00 0.00 175.35 174.76 2dnf n LYS 93 N 8.36 0.01 -3.88 1.68 0.00 -1.26 -4.22 118.16 118.85 2dnf n LYS 93 Ca 0.47 0.00 -0.10 0.00 0.00 0.00 0.00 58.31 58.69 2dnf n LYS 93 Cb 0.46 -1.51 -0.09 0.00 0.00 0.00 0.00 35.03 33.90 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 5.05 1.54 -0.51 3.14 1.43 -1.26 -5.07 118.68 122.99 2dnf s LEU 94 Ca 1.15 -0.47 -0.27 0.00 -1.03 0.00 0.00 54.13 53.51 2dnf s LEU 94 Cb -1.49 0.84 -0.02 0.00 0.03 0.00 0.00 46.19 45.55 2dnf s LEU 94 CO 0.71 -0.56 1.80 -2.16 0.23 0.00 0.00 176.35 176.36 2dnf s PRO 95 N -2.77 2.92 -0.15 1.29 0.04 -1.26 -4.79 135.00 130.28 2dnf s PRO 95 Ca -0.04 0.87 0.17 0.00 0.04 0.00 0.00 61.00 62.05 2dnf s PRO 95 Cb -0.00 -4.30 -0.24 0.00 0.04 0.00 0.00 34.50 30.00 2dnf s PRO 95 CO -0.05 -2.37 0.13 0.66 0.04 0.00 0.00 177.00 175.41 2dnf n TYR 96 N 11.65 0.00 0.26 0.56 4.01 -1.26 -4.34 117.16 128.04 2dnf n TYR 96 Ca 0.21 0.00 0.13 0.00 -0.16 0.00 0.00 57.90 58.08 2dnf n TYR 96 Cb 0.50 -0.81 0.71 0.00 -0.31 0.00 0.00 39.34 39.43 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 3.56 0.00 1.60 2.72 0.00 -1.97 0.24 103.07 109.22 2dnf h GLY 97 Ca -0.40 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 46.71 2dnf h GLY 97 CO 0.02 0.00 -1.16 0.83 0.00 0.00 0.00 176.54 176.23 2dnf h GLU 98 N 0.00 0.00 0.00 4.80 5.08 -1.87 -3.27 114.58 119.32 2dnf h GLU 98 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2dnf h GLU 98 Cb 0.43 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.68 2dnf h GLU 98 CO 0.00 0.70 0.00 -0.07 -1.00 0.00 0.00 179.01 178.64 2dnf h LEU 99 N 0.00 0.00 0.23 1.33 3.38 -0.76 -3.33 115.31 116.17 2dnf h LEU 99 Ca -0.10 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 2dnf h LEU 99 Cb 1.76 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.51 2dnf h LEU 99 CO 0.10 0.00 -0.11 -0.07 0.09 0.00 0.00 178.44 178.44 2dnf h LEU 100 N 0.00 -0.27 -8.03 1.67 3.38 -1.57 -3.45 115.31 107.05 2dnf h LEU 100 Ca 0.00 0.01 -0.67 0.00 0.09 0.00 0.00 57.88 57.31 2dnf h LEU 100 Cb 0.67 0.07 -0.35 0.00 0.09 0.00 0.00 40.66 41.13 2dnf h LEU 100 CO 0.00 0.05 -0.85 -0.36 0.09 0.00 0.00 178.44 177.37 2dnf s PHE 101 N -2.60 2.80 0.50 1.13 0.08 -1.25 -5.09 117.98 113.56 2dnf s PHE 101 Ca -0.05 -1.71 -0.18 0.00 0.12 0.00 0.00 56.93 55.12 2dnf s PHE 101 Cb 0.00 -1.90 -0.14 0.00 -0.57 0.00 0.00 43.02 40.41 2dnf s PHE 101 CO 0.14 -0.81 -0.03 -0.25 -0.10 0.00 0.00 175.22 174.17 2dnf n ASP 102 N 4.61 -3.28 -3.72 1.36 8.00 -1.26 -4.79 116.55 117.47 2dnf n ASP 102 Ca -0.20 0.68 -0.12 0.00 0.71 0.00 0.00 54.79 55.86 2dnf n ASP 102 Cb 0.49 -0.89 -0.11 0.00 -0.02 0.00 0.00 41.12 40.58 2dnf n ASP 102 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 2dnf s SER 103 N -1.02 -0.40 -0.06 -2.24 0.15 -1.26 -5.11 113.70 103.76 2dnf s SER 103 Ca 0.59 0.73 -0.34 0.00 0.70 0.00 0.00 55.95 57.62 2dnf s SER 103 Cb -0.50 0.65 -0.12 0.00 -1.71 0.00 0.00 66.02 64.33 2dnf s SER 103 CO 0.64 -0.16 1.83 0.61 1.20 0.00 0.00 173.24 177.36 2dnf n GLY 104 N 3.83 1.39 3.77 9.45 0.00 -1.26 -4.93 105.19 117.44 2dnf n GLY 104 Ca -0.21 0.84 -0.37 0.00 0.00 0.00 0.00 46.02 46.28 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 3.59 3.75 -0.03 1.61 0.04 -1.26 -4.99 135.00 137.72 2dnf s PRO 105 Ca 0.91 1.77 -0.06 0.00 0.04 0.00 0.00 61.00 63.66 2dnf s PRO 105 Cb -0.71 -2.40 -0.03 0.00 0.04 0.00 0.00 34.50 31.41 2dnf s PRO 105 CO 0.50 -0.56 -0.13 -1.13 0.04 0.00 0.00 177.00 175.72 2dnf n SER 106 N -0.50 1.27 -4.63 6.66 3.41 -1.26 -4.97 113.62 113.60 2dnf n SER 106 Ca 0.07 0.19 -0.43 0.00 -0.26 0.00 0.00 58.87 58.45 2dnf n SER 106 Cb 0.48 -0.45 -0.03 0.00 -0.26 0.00 0.00 64.21 63.95 2dnf n SER 106 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2dnf s SER 107 N -5.96 6.05 0.00 4.04 1.04 -1.26 -5.36 113.70 112.24 2dnf s SER 107 Ca -0.12 2.12 0.00 0.00 0.48 0.00 0.00 55.95 58.43 2dnf s SER 107 Cb 0.03 -2.52 0.00 0.00 0.10 0.00 0.00 66.02 63.62 2dnf s SER 107 CO 0.17 -1.45 0.18 0.61 0.98 0.00 0.00 173.24 173.73