#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 3.12 1.08 1.61 0.01 -1.26 -5.13 113.70 113.13 2dnf s SER 2 Ca 0.00 -0.75 -0.19 0.00 1.31 0.00 0.00 55.95 56.31 2dnf s SER 2 Cb 0.00 -0.20 0.04 0.00 0.21 0.00 0.00 66.02 66.07 2dnf s SER 2 CO 0.00 0.14 -0.23 -1.20 0.41 0.00 0.00 173.24 172.35 2dnf n SER 3 N 0.86 -2.58 -2.58 2.44 7.64 -1.26 -4.99 113.62 113.15 2dnf n SER 3 Ca -0.18 -0.03 -0.04 0.00 1.01 0.00 0.00 58.87 59.63 2dnf n SER 3 Cb 0.54 -0.91 0.11 0.00 -1.01 0.00 0.00 64.21 62.94 2dnf n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dnf n GLY 4 N 2.26 1.35 3.31 0.23 0.00 -1.26 -5.06 105.19 106.01 2dnf n GLY 4 Ca 0.01 -0.13 -0.45 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.99 6.98 0.28 1.61 1.04 -1.26 -5.01 113.70 116.35 2dnf s SER 5 Ca 0.12 -3.31 0.01 0.00 0.48 0.00 0.00 55.95 53.25 2dnf s SER 5 Cb 0.37 -2.17 -0.00 0.00 0.10 0.00 0.00 66.02 64.31 2dnf s SER 5 CO -0.10 -0.37 0.03 -1.20 0.98 0.00 0.00 173.24 172.58 2dnf n SER 6 N 3.08 2.30 -2.37 7.02 7.64 -1.26 -5.04 113.62 124.99 2dnf n SER 6 Ca 0.20 -2.31 -0.25 0.00 1.01 0.00 0.00 58.87 57.52 2dnf n SER 6 Cb 0.41 0.34 -0.04 0.00 -1.01 0.00 0.00 64.21 63.91 2dnf n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dnf n GLY 7 N 1.12 4.30 3.41 0.23 0.00 -1.26 -4.91 105.19 108.08 2dnf n GLY 7 Ca -0.10 -1.74 -0.26 0.00 0.00 0.00 0.00 46.02 43.92 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 -1.72 1.47 0.34 1.61 0.52 -1.26 -5.12 118.95 114.79 2dnf s ARG 8 Ca 0.54 -1.49 -0.28 0.00 -0.52 0.00 0.00 55.73 53.98 2dnf s ARG 8 Cb 0.36 -1.77 -0.10 0.00 0.52 0.00 0.00 34.95 33.96 2dnf s ARG 8 CO -0.18 0.38 1.24 0.21 0.02 0.00 0.00 175.30 176.98 2dnf s LYS 9 N -2.61 4.33 0.06 3.54 2.20 -1.26 -5.03 119.74 120.96 2dnf s LYS 9 Ca 0.19 2.06 -0.01 0.00 -0.36 0.00 0.00 55.97 57.85 2dnf s LYS 9 Cb -0.08 -3.00 0.01 0.00 -1.51 0.00 0.00 37.83 33.26 2dnf s LYS 9 CO 0.09 -0.15 0.05 -0.35 -0.36 0.00 0.00 175.35 174.63 2dnf n PRO 10 N 0.69 -1.13 -4.66 4.03 -0.04 -1.26 -5.10 135.00 127.53 2dnf n PRO 10 Ca 0.01 -0.08 -0.30 0.00 -0.04 0.00 0.00 63.50 63.09 2dnf n PRO 10 Cb 0.43 -0.08 -0.08 0.00 -0.04 0.00 0.00 33.50 33.73 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 2.21 -1.53 1.53 1.43 -1.26 -4.78 118.68 116.27 2dnf s LEU 11 Ca 0.03 -1.65 -0.14 0.00 -1.03 0.00 0.00 54.13 51.34 2dnf s LEU 11 Cb -0.00 -0.50 0.14 0.00 0.03 0.00 0.00 46.19 45.86 2dnf s LEU 11 CO 0.03 -0.86 0.36 0.00 0.23 0.00 0.00 176.35 176.10 2dnf n GLN 12 N -1.11 -0.81 -1.76 1.70 10.64 -1.26 -4.79 117.38 119.98 2dnf n GLN 12 Ca -0.13 0.11 -0.41 0.00 -1.83 0.00 0.00 57.00 54.73 2dnf n GLN 12 Cb 0.66 -3.75 -0.00 0.00 -0.86 0.00 0.00 30.24 26.28 2dnf n GLN 12 CO 0.00 0.00 0.00 -1.91 -1.83 0.00 0.00 177.06 173.32 2dnf n GLU 13 N -3.72 2.66 -1.11 2.61 4.07 -1.26 -4.23 120.64 119.67 2dnf n GLU 13 Ca -0.01 0.94 -0.29 0.00 -0.06 0.00 0.00 57.16 57.73 2dnf n GLU 13 Cb 0.45 -2.68 0.22 0.00 -0.06 0.00 0.00 31.44 29.37 2dnf n GLU 13 CO 0.00 0.00 0.00 -1.25 -0.06 0.00 0.00 177.13 175.82 2dnf s PRO 14 N -1.67 -0.68 -0.00 5.31 0.04 -1.26 -4.43 135.00 132.31 2dnf s PRO 14 Ca 0.56 0.13 0.00 0.00 0.04 0.00 0.00 61.00 61.73 2dnf s PRO 14 Cb -0.48 -1.64 0.00 0.00 0.04 0.00 0.00 34.50 32.41 2dnf s PRO 14 CO 0.60 -3.39 -0.01 0.00 0.04 0.00 0.00 177.00 174.24 2dnf s THR 16 N 0.04 4.28 0.16 0.00 2.01 -1.26 -1.02 115.64 119.84 2dnf s THR 16 Ca -0.00 -0.39 0.07 0.00 0.31 0.00 0.00 61.69 61.68 2dnf s THR 16 Cb -0.01 -3.11 -0.04 0.00 0.01 0.00 0.00 72.50 69.35 2dnf s THR 16 CO -0.00 0.19 -0.15 0.27 -0.69 0.00 0.00 174.62 174.24 2dnf s ILE 17 N 1.58 1.57 -0.18 1.82 -4.36 -0.79 -2.03 121.20 118.82 2dnf s ILE 17 Ca 0.05 -1.94 -0.08 0.00 -0.26 0.00 0.00 60.65 58.42 2dnf s ILE 17 Cb -0.16 -1.79 -0.04 0.00 1.25 0.00 0.00 42.46 41.71 2dnf s ILE 17 CO 0.04 -0.46 0.07 -0.36 0.24 0.00 0.00 174.94 174.47 2dnf s PHE 18 N -2.44 3.30 0.14 1.37 0.40 -0.62 -0.13 117.98 119.99 2dnf s PHE 18 Ca 0.15 0.15 0.06 0.00 -0.60 0.00 0.00 56.93 56.69 2dnf s PHE 18 Cb -0.03 -2.07 -0.04 0.00 0.51 0.00 0.00 43.02 41.39 2dnf s PHE 18 CO 0.05 0.23 0.04 -0.51 0.70 0.00 0.00 175.22 175.73 2dnf s LEU 19 N 0.22 3.53 -0.02 -0.37 2.01 -0.36 -0.75 118.68 122.93 2dnf s LEU 19 Ca 0.05 -0.23 -0.04 0.00 0.01 0.00 0.00 54.13 53.92 2dnf s LEU 19 Cb -0.12 -2.19 0.00 0.00 0.01 0.00 0.00 46.19 43.89 2dnf s LEU 19 CO 0.00 0.11 0.08 -0.63 1.01 0.00 0.00 176.35 176.93 2dnf s ILE 20 N -1.58 0.04 -0.06 -0.59 1.01 -1.01 0.19 121.20 119.20 2dnf s ILE 20 Ca 0.28 -0.35 -0.30 0.00 0.00 0.00 0.00 60.65 60.28 2dnf s ILE 20 Cb -0.10 -0.24 -0.05 0.00 0.01 0.00 0.00 42.46 42.08 2dnf s ILE 20 CO 0.20 -0.19 1.51 0.00 0.00 0.00 0.00 174.94 176.46 2dnf s ALA 21 N -0.60 3.62 0.19 9.38 0.00 -1.26 -1.24 121.76 131.86 2dnf s ALA 21 Ca -0.07 0.84 -0.33 0.00 0.00 0.00 0.00 51.96 52.40 2dnf s ALA 21 Cb -0.04 -3.68 -0.13 0.00 0.00 0.00 0.00 23.12 19.26 2dnf s ALA 21 CO 0.00 -1.22 1.60 -1.71 0.00 0.00 0.00 175.76 174.44 2dnf n ASN 22 N 6.52 3.37 0.00 0.00 5.15 -1.13 -0.81 115.26 128.37 2dnf n ASN 22 Ca 0.15 1.09 0.00 0.00 -0.60 0.00 0.00 54.58 55.22 2dnf n ASN 22 Cb 0.43 -1.48 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 3.37 0.51 3.21 8.20 0.00 -1.26 -4.96 105.19 114.26 2dnf n GLY 23 Ca 0.16 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.17 4.54 -0.16 1.61 2.15 0.01 -4.95 116.67 117.70 2dnf s ASP 24 Ca 0.00 -0.94 0.15 0.00 0.43 0.00 0.00 52.55 52.19 2dnf s ASP 24 Cb 0.00 -1.70 0.34 0.00 -0.30 0.00 0.00 42.92 41.26 2dnf s ASP 24 CO 0.00 -0.16 1.18 0.18 -0.17 0.00 0.00 175.17 176.19 2dnf n LEU 25 N 4.68 2.39 -0.07 -1.34 7.99 -1.26 -4.65 117.00 124.75 2dnf n LEU 25 Ca -0.15 -3.34 -0.09 0.00 -0.01 0.00 0.00 56.01 52.42 2dnf n LEU 25 Cb 0.46 -0.45 -0.09 0.00 -0.11 0.00 0.00 43.42 43.23 2dnf n LEU 25 CO 0.27 0.98 -0.98 -0.38 -1.51 0.00 0.00 177.39 175.78 2dnf n ILE 26 N -1.21 0.92 -3.98 -0.08 -0.00 -1.26 -5.01 119.36 108.74 2dnf n ILE 26 Ca 0.17 -0.47 -0.27 0.00 -0.00 0.00 0.00 62.75 62.17 2dnf n ILE 26 Cb 0.68 -0.85 -0.04 0.00 -0.00 0.00 0.00 39.64 39.43 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 -5.05 6.11 0.49 4.38 0.01 -1.26 -5.12 114.94 114.50 2dnf s ASN 27 Ca -0.13 0.11 0.00 0.00 -0.71 0.00 0.00 52.86 52.12 2dnf s ASN 27 Cb 0.05 -1.78 0.00 0.00 0.41 0.00 0.00 41.25 39.92 2dnf s ASN 27 CO 0.47 0.08 0.00 -0.81 -1.51 0.00 0.00 177.10 175.33 2dnf n PRO 28 N -0.31 0.00 -2.89 -0.60 -0.04 -1.26 -4.94 135.00 124.96 2dnf n PRO 28 Ca -0.07 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.18 2dnf n PRO 28 Cb 0.53 0.00 0.07 0.00 -0.04 0.00 0.00 33.50 34.07 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 4.38 -0.27 0.55 0.00 -1.26 -4.77 121.76 117.42 2dnf s ALA 29 Ca 0.00 -1.97 -0.01 0.00 0.00 0.00 0.00 51.96 49.99 2dnf s ALA 29 Cb 0.00 -1.65 0.08 0.00 0.00 0.00 0.00 23.12 21.55 2dnf s ALA 29 CO 0.00 -0.99 0.05 -1.12 0.00 0.00 0.00 175.76 173.70 2dnf s SER 30 N -4.66 3.80 -0.61 0.00 0.01 0.13 -4.88 113.70 107.49 2dnf s SER 30 Ca 0.63 -1.40 -0.26 0.00 1.31 0.00 0.00 55.95 56.22 2dnf s SER 30 Cb -0.06 -0.93 -0.04 0.00 0.21 0.00 0.00 66.02 65.20 2dnf s SER 30 CO 0.40 -0.35 2.02 -0.60 0.41 0.00 0.00 173.24 175.12 2dnf s ARG 31 N 1.57 2.46 -0.11 12.44 3.52 -1.26 -1.23 118.95 136.34 2dnf s ARG 31 Ca 0.04 0.72 0.01 0.00 -0.13 0.00 0.00 55.73 56.37 2dnf s ARG 31 Cb -0.18 -4.51 -0.02 0.00 -1.56 0.00 0.00 34.95 28.69 2dnf s ARG 31 CO -0.16 -2.98 -0.13 -1.17 -0.81 0.00 0.00 175.30 170.04 2dnf s LEU 32 N 10.12 2.72 -0.05 -0.88 2.96 0.82 -4.94 118.68 129.44 2dnf s LEU 32 Ca 0.76 -0.29 -0.13 0.00 -0.22 0.00 0.00 54.13 54.24 2dnf s LEU 32 Cb -0.13 -1.60 -0.05 0.00 0.50 0.00 0.00 46.19 44.91 2dnf s LEU 32 CO 0.20 0.22 0.35 -0.22 -1.32 0.00 0.00 176.35 175.57 2dnf s LEU 33 N 0.04 4.43 -0.19 -0.68 2.96 -1.26 -1.88 118.68 122.10 2dnf s LEU 33 Ca -0.05 0.81 0.01 0.00 -0.22 0.00 0.00 54.13 54.69 2dnf s LEU 33 Cb -0.14 -2.47 0.02 0.00 0.50 0.00 0.00 46.19 44.10 2dnf s LEU 33 CO 0.04 0.30 -0.18 -0.63 -1.32 0.00 0.00 176.35 174.56 2dnf s ILE 34 N -0.83 2.03 0.02 6.68 1.01 -0.19 -4.97 121.20 124.94 2dnf s ILE 34 Ca 0.21 -0.99 -0.30 0.00 0.00 0.00 0.00 60.65 59.57 2dnf s ILE 34 Cb -0.15 -1.87 -0.06 0.00 0.01 0.00 0.00 42.46 40.39 2dnf s ILE 34 CO 0.10 0.47 1.43 -2.16 0.00 0.00 0.00 174.94 174.79 2dnf s PRO 35 N 1.29 4.28 0.21 2.79 0.04 -1.26 -2.59 135.00 139.76 2dnf s PRO 35 Ca 0.03 2.02 0.10 0.00 0.04 0.00 0.00 61.00 63.20 2dnf s PRO 35 Cb -0.14 -3.54 0.73 0.00 0.04 0.00 0.00 34.50 31.59 2dnf s PRO 35 CO -0.12 -0.58 0.95 -2.13 0.04 0.00 0.00 177.00 175.16 2dnf n ARG 36 N 5.25 -0.04 -0.16 4.56 0.00 -1.26 0.19 116.66 125.20 2dnf n ARG 36 Ca 0.13 0.85 -0.03 0.00 -0.00 0.00 0.00 57.85 58.80 2dnf n ARG 36 Cb 0.43 -1.48 0.03 0.00 0.00 0.00 0.00 32.46 31.45 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 -0.03 -0.40 -0.14 3.11 -1.89 -1.36 116.57 115.85 2dnf h LYS 37 Ca 0.48 0.00 -0.15 0.00 -2.81 0.00 0.00 60.65 58.17 2dnf h LYS 37 Cb 1.21 0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 32.44 2dnf h LYS 37 CO -0.49 -0.02 -0.34 1.15 -2.81 0.00 0.00 179.45 176.94 2dnf h THR 38 N -0.03 1.27 -1.38 1.00 2.02 0.17 -2.98 112.91 112.98 2dnf h THR 38 Ca 0.24 -1.51 0.40 0.00 0.77 0.00 0.00 66.41 66.30 2dnf h THR 38 Cb 0.39 1.33 -0.06 0.00 -1.74 0.00 0.00 68.15 68.08 2dnf h THR 38 CO -0.52 0.51 1.03 -0.07 0.37 0.00 0.00 175.52 176.84 2dnf h LEU 39 N 0.77 0.00 -0.44 2.58 4.07 -0.76 1.16 115.31 122.69 2dnf h LEU 39 Ca 0.07 0.00 -0.18 0.00 0.08 0.00 0.00 57.88 57.85 2dnf h LEU 39 Cb 0.93 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.67 2dnf h LEU 39 CO 0.09 0.00 -0.67 0.78 -1.08 0.00 0.00 178.44 177.56 2dnf h ASN 40 N 0.00 0.55 -3.24 -0.43 2.35 -1.33 -3.36 115.58 110.11 2dnf h ASN 40 Ca 0.65 -0.33 -0.80 0.00 -0.55 0.00 0.00 56.30 55.27 2dnf h ASN 40 Cb 2.71 -0.16 -0.29 0.00 0.05 0.00 0.00 38.32 40.63 2dnf h ASN 40 CO -0.01 1.06 0.56 0.00 -1.65 0.00 0.00 177.43 177.40 2dnf n GLN 41 N -3.89 3.91 -0.27 0.81 3.00 0.40 -4.89 117.38 116.45 2dnf n GLN 41 Ca -0.04 -4.51 0.15 0.00 -0.01 0.00 0.00 57.00 52.59 2dnf n GLN 41 Cb 0.67 -2.52 0.28 0.00 0.00 0.00 0.00 30.24 28.67 2dnf n GLN 41 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.06 178.93 2dnf n TRP 42 N 2.02 0.59 -0.20 1.08 -0.00 -1.25 0.21 117.44 119.89 2dnf n TRP 42 Ca 0.25 0.95 -0.02 0.00 -0.00 0.00 0.00 57.50 58.69 2dnf n TRP 42 Cb 0.36 -1.15 0.09 0.00 -0.00 0.00 0.00 31.31 30.62 2dnf n TRP 42 CO 0.00 0.00 0.00 -0.44 -0.00 0.00 0.00 177.69 177.25 2dnf h ASP 43 N 0.00 0.37 0.07 5.87 3.32 -1.90 -0.19 116.42 123.96 2dnf h ASP 43 Ca 0.52 0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.61 2dnf h ASP 43 Cb 1.16 -0.01 -0.00 0.00 0.22 0.00 0.00 39.33 40.69 2dnf h ASP 43 CO -0.72 0.23 -0.06 0.45 -1.72 0.00 0.00 179.24 177.43 2dnf h HIS 44 N 0.52 0.00 -0.14 4.55 3.86 0.22 -2.30 115.15 121.86 2dnf h HIS 44 Ca 0.28 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.45 2dnf h HIS 44 Cb 0.26 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.73 2dnf h HIS 44 CO -0.12 0.06 -0.10 0.28 0.86 0.00 0.00 177.93 178.91 2dnf h VAL 45 N 0.00 1.33 0.00 2.45 2.07 -0.56 -2.81 116.25 118.74 2dnf h VAL 45 Ca -0.00 -1.19 -0.03 0.00 0.82 0.00 0.00 66.70 66.29 2dnf h VAL 45 Cb 0.11 1.82 -0.00 0.00 -1.52 0.00 0.00 31.29 31.69 2dnf h VAL 45 CO 0.01 0.35 -0.16 -0.07 0.02 0.00 0.00 177.57 177.71 2dnf h LEU 46 N -0.05 0.00 -0.81 2.57 -0.00 -1.00 0.22 115.31 116.24 2dnf h LEU 46 Ca 0.03 0.00 -0.04 0.00 -0.00 0.00 0.00 57.88 57.87 2dnf h LEU 46 Cb 0.59 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.25 2dnf h LEU 46 CO 0.03 0.16 -0.19 -0.61 -0.00 0.00 0.00 178.44 177.83 2dnf h GLN 47 N 0.00 0.00 0.00 1.13 5.75 -1.30 -3.09 115.11 117.61 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 0.32 0.00 -0.05 0.00 1.07 0.00 0.00 27.48 28.81 2dnf h GLN 47 CO 0.02 0.19 -2.01 -1.33 -2.65 0.00 0.00 178.83 173.04 2dnf n MET 48 N -3.25 0.59 -0.34 1.69 2.81 -0.56 -4.29 117.12 113.76 2dnf n MET 48 Ca 0.01 0.38 0.24 0.00 -1.81 0.00 0.00 57.70 56.52 2dnf n MET 48 Cb 0.47 -1.60 0.51 0.00 -0.71 0.00 0.00 33.22 31.89 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 -0.92 0.48 -0.56 2.03 3.04 -0.71 0.15 116.25 119.76 2dnf h VAL 49 Ca -0.55 -0.13 0.02 0.00 -1.01 0.00 0.00 66.70 65.03 2dnf h VAL 49 Cb 1.52 0.07 -0.03 0.00 -2.01 0.00 0.00 31.29 30.84 2dnf h VAL 49 CO -0.31 0.07 0.36 0.74 -1.01 0.00 0.00 177.57 177.42 2dnf h THR 50 N 0.38 1.10 -1.20 3.17 2.02 -1.72 0.18 112.91 116.84 2dnf h THR 50 Ca 0.62 -0.25 0.35 0.00 0.77 0.00 0.00 66.41 67.90 2dnf h THR 50 Cb 1.59 0.32 -0.05 0.00 -1.74 0.00 0.00 68.15 68.27 2dnf h THR 50 CO -0.33 0.13 0.94 -0.33 0.37 0.00 0.00 175.52 176.31 2dnf h GLU 51 N 0.72 0.00 0.00 6.66 5.08 -0.87 0.46 114.58 126.63 2dnf h GLU 51 Ca 0.22 0.00 -0.37 0.00 -1.00 0.00 0.00 59.36 58.21 2dnf h GLU 51 Cb -0.03 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.15 2dnf h GLU 51 CO -0.07 0.00 -2.39 1.63 -1.00 0.00 0.00 179.01 177.18 2dnf n LYS 52 N -3.96 0.69 -3.74 2.33 4.76 -0.65 -4.82 118.16 112.78 2dnf n LYS 52 Ca 0.26 0.09 -0.37 0.00 -2.87 0.00 0.00 58.31 55.42 2dnf n LYS 52 Cb 1.33 -1.50 -0.11 0.00 -1.84 0.00 0.00 35.03 32.91 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 -2.49 3.52 -0.33 -0.18 -1.09 0.56 -5.01 121.20 116.17 2dnf s ILE 53 Ca -0.25 -2.32 -0.13 0.00 -2.23 0.00 0.00 60.65 55.71 2dnf s ILE 53 Cb 0.08 -3.36 -0.02 0.00 -1.58 0.00 0.00 42.46 37.57 2dnf s ILE 53 CO 0.65 -0.76 0.26 -0.89 -1.23 0.00 0.00 174.94 172.97 2dnf s THR 54 N 0.77 5.26 0.06 2.92 2.01 -1.19 -4.30 115.64 121.18 2dnf s THR 54 Ca 0.11 -0.11 -0.15 0.00 0.31 0.00 0.00 61.69 61.84 2dnf s THR 54 Cb -0.22 -3.72 -0.06 0.00 0.01 0.00 0.00 72.50 68.51 2dnf s THR 54 CO -0.04 0.00 0.48 -0.76 -0.69 0.00 0.00 174.62 173.61 2dnf s LEU 55 N 1.79 4.44 0.38 4.42 1.43 -1.24 -4.97 118.68 124.93 2dnf s LEU 55 Ca 0.07 1.05 0.12 0.00 -1.03 0.00 0.00 54.13 54.35 2dnf s LEU 55 Cb -0.17 -2.87 0.93 0.00 0.03 0.00 0.00 46.19 44.11 2dnf s LEU 55 CO 0.11 0.24 1.85 -0.09 0.23 0.00 0.00 176.35 178.69 2dnf h ARG 56 N 4.28 0.55 0.00 1.70 2.43 -1.97 0.23 114.38 121.60 2dnf h ARG 56 Ca -0.50 -0.03 -0.11 0.00 -0.81 0.00 0.00 59.98 58.52 2dnf h ARG 56 Cb 1.21 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 30.62 2dnf h ARG 56 CO 0.63 0.37 -0.55 0.66 -1.51 0.00 0.00 179.97 179.58 2dnf h SER 57 N 0.57 0.00 -3.59 -3.80 4.64 -2.01 -3.49 113.55 105.87 2dnf h SER 57 Ca 0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.79 2dnf h SER 57 Cb 0.94 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.03 2dnf h SER 57 CO -0.22 0.55 0.00 0.61 -0.87 0.00 0.00 176.83 176.90 2dnf n GLY 58 N 0.05 1.47 3.05 -0.77 0.00 0.81 -4.98 105.19 104.82 2dnf n GLY 58 Ca -0.01 -1.82 -0.37 0.00 0.00 0.00 0.00 46.02 43.82 2dnf n GLY 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dnf n ALA 59 N -1.25 -5.34 -1.96 4.61 0.00 -1.26 -3.73 120.51 111.57 2dnf n ALA 59 Ca 0.00 -0.98 -0.34 0.00 0.00 0.00 0.00 53.44 52.13 2dnf n ALA 59 Cb 0.00 -1.08 -0.07 0.00 0.00 0.00 0.00 19.45 18.30 2dnf n ALA 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2dnf s VAL 60 N -2.04 4.49 0.00 0.00 0.11 -1.26 -4.55 120.40 117.15 2dnf s VAL 60 Ca 0.41 1.31 0.00 0.00 -2.93 0.00 0.00 61.98 60.76 2dnf s VAL 60 Cb -0.07 -3.67 0.00 0.00 -1.53 0.00 0.00 36.38 31.10 2dnf s VAL 60 CO 0.75 -0.17 0.00 1.41 -3.33 0.00 0.00 175.10 173.76 2dnf n HIS 61 N -0.28 0.00 -4.14 1.54 8.25 -0.96 -4.83 115.22 114.80 2dnf n HIS 61 Ca 0.04 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.39 2dnf n HIS 61 Cb 0.53 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.55 2dnf n HIS 61 CO 0.00 0.00 0.00 -0.98 0.64 0.00 0.00 176.34 176.00 2dnf s ARG 62 N -1.65 1.27 0.17 -0.41 1.70 0.50 -5.02 118.95 115.51 2dnf s ARG 62 Ca 0.00 -1.52 0.08 0.00 -0.47 0.00 0.00 55.73 53.82 2dnf s ARG 62 Cb 0.00 0.32 -0.04 0.00 -0.57 0.00 0.00 34.95 34.66 2dnf s ARG 62 CO 0.00 -0.45 -0.18 -1.17 -1.08 0.00 0.00 175.30 172.43 2dnf s LEU 63 N -3.12 2.45 0.19 -1.89 1.98 -1.25 -1.44 118.68 115.59 2dnf s LEU 63 Ca 0.34 -0.87 -0.06 0.00 -2.89 0.00 0.00 54.13 50.65 2dnf s LEU 63 Cb 0.05 -0.80 -0.02 0.00 0.66 0.00 0.00 46.19 46.08 2dnf s LEU 63 CO 0.11 -0.05 0.24 -0.31 -1.89 0.00 0.00 176.35 174.44 2dnf s TYR 64 N -2.13 0.71 0.52 5.38 1.51 0.90 -2.04 117.35 122.21 2dnf s TYR 64 Ca 0.16 -1.03 0.02 0.00 -1.01 0.00 0.00 57.07 55.21 2dnf s TYR 64 Cb -0.05 -0.24 0.00 0.00 -0.11 0.00 0.00 41.96 41.56 2dnf s TYR 64 CO 0.06 -0.72 0.11 0.95 -1.11 0.00 0.00 175.55 174.85 2dnf s THR 65 N -4.05 1.28 -0.40 -0.71 -4.23 -0.09 -0.07 115.64 107.36 2dnf s THR 65 Ca 0.26 -1.86 0.26 0.00 -1.18 0.00 0.00 61.69 59.17 2dnf s THR 65 Cb 0.04 -2.14 0.33 0.00 1.34 0.00 0.00 72.50 72.07 2dnf s THR 65 CO 0.06 0.00 1.73 -0.07 -0.54 0.00 0.00 174.62 175.80 2dnf h LEU 66 N 1.18 0.00 0.00 4.79 4.07 -1.90 -2.98 115.31 120.46 2dnf h LEU 66 Ca -0.42 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.54 2dnf h LEU 66 Cb 1.31 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.05 2dnf h LEU 66 CO 0.69 0.00 -0.48 -1.84 -1.08 0.00 0.00 178.44 175.73 2dnf n GLU 67 N -2.82 0.24 -0.02 1.13 0.28 -1.26 -4.93 120.64 113.26 2dnf n GLU 67 Ca 0.03 0.09 0.00 0.00 -0.16 0.00 0.00 57.16 57.13 2dnf n GLU 67 Cb 0.43 -1.67 0.00 0.00 1.43 0.00 0.00 31.44 31.63 2dnf n GLU 67 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2dnf n GLY 68 N 1.36 1.56 3.90 -1.84 0.00 -1.13 -5.10 105.19 103.94 2dnf n GLY 68 Ca 0.04 -0.01 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.60 3.41 -0.21 1.61 2.47 -1.26 -4.88 119.74 120.28 2dnf s LYS 69 Ca 0.00 -0.39 -0.08 0.00 -1.56 0.00 0.00 55.97 53.94 2dnf s LYS 69 Cb 0.00 -3.05 -0.04 0.00 -1.46 0.00 0.00 37.83 33.28 2dnf s LYS 69 CO 0.00 0.64 0.08 -1.17 0.16 0.00 0.00 175.35 175.06 2dnf s LEU 70 N -2.18 3.77 -0.39 5.43 2.96 -1.26 -0.92 118.68 126.10 2dnf s LEU 70 Ca 0.30 0.01 -0.15 0.00 -0.22 0.00 0.00 54.13 54.07 2dnf s LEU 70 Cb -0.13 -1.97 0.01 0.00 0.50 0.00 0.00 46.19 44.59 2dnf s LEU 70 CO 0.22 0.11 0.35 -0.69 -1.32 0.00 0.00 176.35 175.02 2dnf s VAL 71 N 0.78 5.19 -0.54 1.68 1.01 -0.86 -4.91 120.40 122.74 2dnf s VAL 71 Ca 0.04 -0.32 0.23 0.00 0.00 0.00 0.00 61.98 61.93 2dnf s VAL 71 Cb -0.13 -3.91 -0.11 0.00 0.00 0.00 0.00 36.38 32.23 2dnf s VAL 71 CO 0.02 -0.25 1.01 -0.62 0.00 0.00 0.00 175.10 175.26 2dnf n GLU 72 N 5.35 0.34 -4.16 2.72 1.02 -1.26 -3.93 120.64 120.72 2dnf n GLU 72 Ca -0.10 0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 56.93 2dnf n GLU 72 Cb 0.48 -1.61 -0.09 0.00 -0.02 0.00 0.00 31.44 30.19 2dnf n GLU 72 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 2dnf s SER 73 N -4.11 0.15 -0.02 1.62 1.04 -1.26 -4.96 113.70 106.17 2dnf s SER 73 Ca 0.03 -1.28 0.00 0.00 0.48 0.00 0.00 55.95 55.18 2dnf s SER 73 Cb 0.14 0.39 0.03 0.00 0.10 0.00 0.00 66.02 66.67 2dnf s SER 73 CO 0.80 -0.85 0.98 0.61 0.98 0.00 0.00 173.24 175.76 2dnf n GLY 74 N -0.24 2.03 0.01 7.32 0.00 -1.26 -3.38 105.19 109.67 2dnf n GLY 74 Ca -0.00 -0.04 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 0.39 3.04 -0.47 4.61 0.00 -1.26 -4.29 120.51 122.54 2dnf n ALA 75 Ca 0.02 -0.47 0.01 0.00 0.00 0.00 0.00 53.44 53.01 2dnf n ALA 75 Cb 0.51 -0.66 0.28 0.00 0.00 0.00 0.00 19.45 19.58 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 -2.02 3.59 -2.50 0.00 1.02 -1.22 -4.93 120.64 114.58 2dnf n GLU 76 Ca -0.02 -2.35 -0.24 0.00 -0.02 0.00 0.00 57.16 54.53 2dnf n GLU 76 Cb 0.46 -2.05 0.11 0.00 -0.02 0.00 0.00 31.44 29.93 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 -2.14 2.97 0.34 -4.62 1.43 -1.26 -5.02 118.68 110.37 2dnf s LEU 77 Ca 0.41 -0.20 -0.15 0.00 -1.03 0.00 0.00 54.13 53.16 2dnf s LEU 77 Cb 0.32 -2.19 0.03 0.00 0.03 0.00 0.00 46.19 44.38 2dnf s LEU 77 CO 0.11 -1.86 0.69 -0.70 0.23 0.00 0.00 176.35 174.83 2dnf s GLU 78 N -5.19 1.99 -0.40 1.70 2.12 -1.26 -5.12 118.70 112.54 2dnf s GLU 78 Ca 0.66 -1.34 -0.10 0.00 0.36 0.00 0.00 54.97 54.55 2dnf s GLU 78 Cb -0.06 0.58 0.06 0.00 0.26 0.00 0.00 34.13 34.97 2dnf s GLU 78 CO 0.45 -0.90 0.24 1.21 -0.54 0.00 0.00 175.26 175.71 2dnf s ASN 79 N -3.05 5.67 0.00 -1.70 3.84 -1.26 -4.39 114.94 114.05 2dnf s ASN 79 Ca 0.17 -1.30 0.00 0.00 0.21 0.00 0.00 52.86 51.94 2dnf s ASN 79 Cb -0.04 -2.00 0.00 0.00 -0.55 0.00 0.00 41.25 38.66 2dnf s ASN 79 CO 0.11 -0.48 0.00 0.61 -2.79 0.00 0.00 177.10 174.55 2dnf n GLY 80 N 4.95 1.06 3.83 1.21 0.00 -0.86 -5.03 105.19 110.35 2dnf n GLY 80 Ca -0.11 -0.48 -0.22 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.17 2.47 0.10 1.61 1.11 -1.26 -4.99 119.66 116.53 2dnf s GLN 81 Ca 0.00 -1.58 0.08 0.00 0.01 0.00 0.00 55.36 53.87 2dnf s GLN 81 Cb 0.00 -2.28 -0.04 0.00 -1.01 0.00 0.00 33.01 29.68 2dnf s GLN 81 CO 0.00 -0.12 -0.15 -0.06 0.01 0.00 0.00 175.29 174.97 2dnf s PHE 82 N -2.48 2.62 0.33 0.91 0.40 -1.26 -1.59 117.98 116.91 2dnf s PHE 82 Ca 0.45 -0.22 0.02 0.00 -0.60 0.00 0.00 56.93 56.58 2dnf s PHE 82 Cb -0.02 -1.40 -0.00 0.00 0.51 0.00 0.00 43.02 42.11 2dnf s PHE 82 CO 0.26 0.39 0.40 0.66 0.70 0.00 0.00 175.22 177.63 2dnf n TYR 83 N 0.85 -1.19 -4.02 0.36 4.02 0.07 -4.16 117.16 113.08 2dnf n TYR 83 Ca -0.15 -2.43 -0.17 0.00 -0.01 0.00 0.00 57.90 55.15 2dnf n TYR 83 Cb 0.52 0.45 -0.16 0.00 -0.02 0.00 0.00 39.34 40.13 2dnf n TYR 83 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 2dnf s VAL 84 N -2.98 0.29 -0.41 -0.72 1.01 0.89 -2.39 120.40 116.09 2dnf s VAL 84 Ca 0.32 -0.03 -0.22 0.00 0.00 0.00 0.00 61.98 62.05 2dnf s VAL 84 Cb 0.00 -0.33 0.02 0.00 0.00 0.00 0.00 36.38 36.07 2dnf s VAL 84 CO 0.23 0.14 0.72 0.00 0.00 0.00 0.00 175.10 176.18 2dnf s ALA 85 N 0.67 3.37 -0.17 5.51 0.00 -0.37 -0.07 121.76 130.70 2dnf s ALA 85 Ca -0.07 -0.94 -0.07 0.00 0.00 0.00 0.00 51.96 50.88 2dnf s ALA 85 Cb -0.10 -3.34 -0.04 0.00 0.00 0.00 0.00 23.12 19.64 2dnf s ALA 85 CO -0.01 -1.66 0.06 0.08 0.00 0.00 0.00 175.76 174.23 2dnf s VAL 86 N 3.00 4.76 0.00 0.00 1.01 -0.52 -2.84 120.40 125.80 2dnf s VAL 86 Ca 0.27 -0.05 0.00 0.00 0.00 0.00 0.00 61.98 62.20 2dnf s VAL 86 Cb -0.13 -3.12 0.00 0.00 0.00 0.00 0.00 36.38 33.12 2dnf s VAL 86 CO 0.19 0.49 0.00 0.61 0.00 0.00 0.00 175.10 176.39 2dnf n GLY 87 N 3.29 1.82 0.01 4.51 0.00 -1.26 -0.37 105.19 113.19 2dnf n GLY 87 Ca -0.17 -1.75 0.03 0.00 0.00 0.00 0.00 46.02 44.13 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 0.01 -2.52 1.61 1.74 -1.26 -4.60 116.66 111.64 2dnf n ARG 88 Ca 0.00 0.43 -0.23 0.00 -0.77 0.00 0.00 57.85 57.29 2dnf n ARG 88 Cb 0.00 -1.54 0.06 0.00 -1.02 0.00 0.00 32.46 29.96 2dnf n ARG 88 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2dnf s ASP 89 N -3.10 4.95 0.92 0.55 1.01 -1.26 -5.09 116.67 114.64 2dnf s ASP 89 Ca 0.02 0.02 -0.13 0.00 0.71 0.00 0.00 52.55 53.17 2dnf s ASP 89 Cb 0.03 -0.74 0.14 0.00 1.01 0.00 0.00 42.92 43.37 2dnf s ASP 89 CO 0.10 -1.42 1.15 -0.54 0.21 0.00 0.00 175.17 174.68 2dnf s LYS 90 N -4.97 1.08 -0.28 8.23 3.01 -1.26 -4.98 119.74 120.58 2dnf s LYS 90 Ca 0.60 0.21 -0.27 0.00 -1.01 0.00 0.00 55.97 55.50 2dnf s LYS 90 Cb -0.09 -1.84 0.01 0.00 -1.01 0.00 0.00 37.83 34.89 2dnf s LYS 90 CO 0.41 -2.22 0.95 0.12 0.51 0.00 0.00 175.35 175.13 2dnf s PHE 91 N -3.34 3.24 -0.78 3.18 5.36 -1.26 -4.84 117.98 119.54 2dnf s PHE 91 Ca 0.65 1.17 -0.23 0.00 -0.96 0.00 0.00 56.93 57.56 2dnf s PHE 91 Cb -0.13 -3.35 0.07 0.00 -0.34 0.00 0.00 43.02 39.26 2dnf s PHE 91 CO 0.53 -0.58 1.14 0.15 -1.46 0.00 0.00 175.22 175.01 2dnf s LYS 92 N 3.22 3.29 -0.81 10.12 -0.14 -1.26 -4.96 119.74 129.20 2dnf s LYS 92 Ca 0.40 -0.92 -0.25 0.00 -1.36 0.00 0.00 55.97 53.84 2dnf s LYS 92 Cb -0.14 -4.52 -0.03 0.00 -1.68 0.00 0.00 37.83 31.46 2dnf s LYS 92 CO 0.11 -1.95 1.89 0.21 -0.76 0.00 0.00 175.35 174.85 2dnf s LYS 93 N 4.33 2.63 0.16 1.68 2.36 -1.26 -4.48 119.74 125.16 2dnf s LYS 93 Ca 0.31 -0.04 0.07 0.00 -2.55 0.00 0.00 55.97 53.75 2dnf s LYS 93 Cb -0.10 -4.84 -0.04 0.00 -1.05 0.00 0.00 37.83 31.79 2dnf s LYS 93 CO 0.04 -3.10 -0.14 -0.51 1.55 0.00 0.00 175.35 173.19 2dnf s LEU 94 N 9.48 2.48 -0.53 5.43 2.01 -1.26 -5.09 118.68 131.20 2dnf s LEU 94 Ca 0.68 -0.93 -0.27 0.00 0.01 0.00 0.00 54.13 53.62 2dnf s LEU 94 Cb -0.08 -0.60 -0.02 0.00 0.01 0.00 0.00 46.19 45.50 2dnf s LEU 94 CO 0.06 -0.17 1.81 -2.16 1.01 0.00 0.00 176.35 176.90 2dnf s PRO 95 N -3.21 2.88 -0.20 1.29 0.04 -1.26 -4.80 135.00 129.73 2dnf s PRO 95 Ca 0.16 0.84 0.07 0.00 0.04 0.00 0.00 61.00 62.10 2dnf s PRO 95 Cb -0.02 -4.31 -0.21 0.00 0.04 0.00 0.00 34.50 29.99 2dnf s PRO 95 CO 0.04 -2.42 0.03 0.66 0.04 0.00 0.00 177.00 175.35 2dnf n TYR 96 N 11.83 0.27 -0.24 0.56 4.01 -1.26 -4.30 117.16 128.03 2dnf n TYR 96 Ca 0.21 0.07 0.32 0.00 -0.16 0.00 0.00 57.90 58.34 2dnf n TYR 96 Cb 0.50 -1.04 0.73 0.00 -0.31 0.00 0.00 39.34 39.22 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 2.62 0.00 0.95 2.72 0.00 -1.96 0.22 103.07 107.62 2dnf h GLY 97 Ca -0.52 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 46.64 2dnf h GLY 97 CO -0.01 0.00 -0.57 1.05 0.00 0.00 0.00 176.54 177.01 2dnf h GLU 98 N 0.00 0.59 -0.10 4.80 4.11 -1.83 -3.11 114.58 119.03 2dnf h GLU 98 Ca 0.49 -0.48 0.03 0.00 0.07 0.00 0.00 59.36 59.47 2dnf h GLU 98 Cb 2.09 0.10 -0.00 0.00 0.50 0.00 0.00 28.75 31.44 2dnf h GLU 98 CO -0.01 1.10 0.09 -0.07 0.07 0.00 0.00 179.01 180.20 2dnf h LEU 99 N 0.22 0.00 0.55 3.06 3.38 -0.77 -2.89 115.31 118.85 2dnf h LEU 99 Ca -0.04 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 2dnf h LEU 99 Cb 1.21 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.97 2dnf h LEU 99 CO 0.12 0.00 -0.26 -0.07 0.09 0.00 0.00 178.44 178.32 2dnf h LEU 100 N 0.00 -0.62 -7.46 1.67 3.38 -1.42 -3.46 115.31 107.39 2dnf h LEU 100 Ca 0.05 0.02 -0.23 0.00 0.09 0.00 0.00 57.88 57.81 2dnf h LEU 100 Cb 0.23 0.16 -0.30 0.00 0.09 0.00 0.00 40.66 40.84 2dnf h LEU 100 CO -0.00 -0.32 -0.58 0.72 0.09 0.00 0.00 178.44 178.34 2dnf s PHE 101 N -4.11 -0.17 0.19 1.13 -0.12 -1.09 -5.09 117.98 108.72 2dnf s PHE 101 Ca -0.11 0.47 -0.30 0.00 -0.05 0.00 0.00 56.93 56.95 2dnf s PHE 101 Cb 0.01 -0.04 -0.08 0.00 -0.63 0.00 0.00 43.02 42.28 2dnf s PHE 101 CO 0.32 -0.15 1.18 0.16 -0.05 0.00 0.00 175.22 176.68 2dnf s ASP 102 N 0.91 7.13 -0.24 1.98 -4.77 -1.25 -4.65 116.67 115.77 2dnf s ASP 102 Ca -0.07 2.21 -0.01 0.00 -3.30 0.00 0.00 52.55 51.38 2dnf s ASP 102 Cb -0.09 -2.61 0.03 0.00 -1.09 0.00 0.00 42.92 39.16 2dnf s ASP 102 CO -0.05 -0.34 -0.08 -0.94 0.70 0.00 0.00 175.17 174.47 2dnf s SER 103 N 0.05 4.19 -0.34 2.11 1.04 -1.26 -4.86 113.70 114.64 2dnf s SER 103 Ca 0.52 -0.85 -0.30 0.00 0.48 0.00 0.00 55.95 55.80 2dnf s SER 103 Cb -0.32 -1.64 0.04 0.00 0.10 0.00 0.00 66.02 64.20 2dnf s SER 103 CO 0.36 -0.11 0.50 0.61 0.98 0.00 0.00 173.24 175.58 2dnf n GLY 104 N 4.66 0.15 0.24 7.32 0.00 -1.26 -4.86 105.19 111.44 2dnf n GLY 104 Ca -0.17 0.87 -0.10 0.00 0.00 0.00 0.00 46.02 46.63 2dnf n GLY 104 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dnf h PRO 105 N 2.18 0.73 -2.06 1.61 0.13 -2.02 -3.46 132.00 129.10 2dnf h PRO 105 Ca -0.43 -0.38 -0.05 0.00 -0.87 0.00 0.00 66.00 64.26 2dnf h PRO 105 Cb 1.23 0.01 -0.21 0.00 0.13 0.00 0.00 31.00 32.16 2dnf h PRO 105 CO 0.17 1.00 0.11 -1.12 -0.23 0.00 0.00 178.00 177.94 2dnf s SER 106 N -6.85 -0.70 -0.36 1.44 0.01 -1.26 -5.14 113.70 100.84 2dnf s SER 106 Ca -0.09 1.22 -0.17 0.00 1.31 0.00 0.00 55.95 58.23 2dnf s SER 106 Cb 0.12 1.20 -0.00 0.00 0.21 0.00 0.00 66.02 67.55 2dnf s SER 106 CO 0.85 -0.33 0.44 -0.44 0.41 0.00 0.00 173.24 174.17 2dnf s SER 107 N -0.01 6.24 0.00 2.44 0.01 -1.26 -5.24 113.70 115.87 2dnf s SER 107 Ca -0.03 -0.24 0.00 0.00 1.31 0.00 0.00 55.95 56.99 2dnf s SER 107 Cb -0.04 -2.23 0.00 0.00 0.21 0.00 0.00 66.02 63.96 2dnf s SER 107 CO 0.03 -0.45 0.00 0.61 0.41 0.00 0.00 173.24 173.84