#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 -0.55 -4.94 1.61 3.41 -1.26 -4.89 113.62 107.01 2dnf n SER 2 Ca 0.00 -1.02 -0.24 0.00 -0.26 0.00 0.00 58.87 57.35 2dnf n SER 2 Cb 0.00 -1.28 0.01 0.00 -0.26 0.00 0.00 64.21 62.68 2dnf n SER 2 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2dnf s SER 3 N -3.35 4.76 0.00 4.04 0.01 -1.26 -5.10 113.70 112.80 2dnf s SER 3 Ca 0.40 -1.14 0.00 0.00 1.31 0.00 0.00 55.95 56.52 2dnf s SER 3 Cb -0.23 0.37 0.00 0.00 0.21 0.00 0.00 66.02 66.37 2dnf s SER 3 CO 0.82 -1.16 0.00 0.61 0.41 0.00 0.00 173.24 173.92 2dnf n GLY 4 N -1.88 3.45 3.84 3.44 0.00 -1.26 -5.10 105.19 107.67 2dnf n GLY 4 Ca 0.03 -1.58 -0.35 0.00 0.00 0.00 0.00 46.02 44.12 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 0.00 6.08 0.12 1.61 1.04 -1.26 -5.02 113.70 116.27 2dnf s SER 5 Ca 0.00 0.32 -0.28 0.00 0.48 0.00 0.00 55.95 56.46 2dnf s SER 5 Cb 0.00 -1.87 -0.07 0.00 0.10 0.00 0.00 66.02 64.18 2dnf s SER 5 CO 0.00 0.33 1.61 0.28 0.98 0.00 0.00 173.24 176.43 2dnf h SER 6 N 4.41 -1.03 0.00 7.02 0.02 -2.06 -3.47 113.55 118.44 2dnf h SER 6 Ca -0.51 0.13 0.00 0.00 -0.84 0.00 0.00 61.79 60.57 2dnf h SER 6 Cb 1.20 0.40 0.00 0.00 0.14 0.00 0.00 62.40 64.14 2dnf h SER 6 CO 0.62 -0.42 0.00 0.61 -1.14 0.00 0.00 176.83 176.51 2dnf n GLY 7 N -1.43 0.81 2.99 -3.77 0.00 -1.26 -5.15 105.19 97.38 2dnf n GLY 7 Ca -0.06 0.28 -0.13 0.00 0.00 0.00 0.00 46.02 46.11 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 1.49 0.15 -0.04 1.61 1.81 -1.26 -5.15 118.95 117.55 2dnf s ARG 8 Ca 0.00 0.57 -0.03 0.00 -1.72 0.00 0.00 55.73 54.55 2dnf s ARG 8 Cb 0.00 -0.13 -0.04 0.00 -0.45 0.00 0.00 34.95 34.33 2dnf s ARG 8 CO 0.00 -0.22 0.11 0.15 -0.68 0.00 0.00 175.30 174.66 2dnf s LYS 9 N 1.69 3.23 0.12 3.54 1.02 -1.26 -5.11 119.74 122.96 2dnf s LYS 9 Ca -0.05 -0.35 -0.02 0.00 0.02 0.00 0.00 55.97 55.57 2dnf s LYS 9 Cb -0.11 -2.98 0.03 0.00 -0.52 0.00 0.00 37.83 34.24 2dnf s LYS 9 CO -0.08 0.69 0.10 -0.35 -0.92 0.00 0.00 175.35 174.80 2dnf n PRO 10 N 1.45 -1.22 -2.27 -1.68 -0.04 -1.26 -4.93 135.00 125.04 2dnf n PRO 10 Ca -0.15 -0.17 -0.43 0.00 -0.04 0.00 0.00 63.50 62.72 2dnf n PRO 10 Cb 0.53 -0.16 -0.02 0.00 -0.04 0.00 0.00 33.50 33.81 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 4.25 -0.44 1.53 1.43 -1.26 -4.98 118.68 119.21 2dnf s LEU 11 Ca 0.07 1.93 0.04 0.00 -1.03 0.00 0.00 54.13 55.13 2dnf s LEU 11 Cb -0.01 -3.54 0.12 0.00 0.03 0.00 0.00 46.19 42.79 2dnf s LEU 11 CO 0.05 -0.79 0.17 -1.10 0.23 0.00 0.00 176.35 174.91 2dnf s GLN 12 N 3.41 1.68 -0.10 1.70 1.11 -1.26 -5.10 119.66 121.11 2dnf s GLN 12 Ca 0.62 -2.23 -0.04 0.00 0.01 0.00 0.00 55.36 53.72 2dnf s GLN 12 Cb -0.27 -3.13 -0.04 0.00 -1.01 0.00 0.00 33.01 28.57 2dnf s GLN 12 CO 0.21 -1.05 0.05 -2.00 0.01 0.00 0.00 175.29 172.52 2dnf s GLU 13 N 0.29 3.14 1.01 2.91 2.12 -1.26 -4.89 118.70 122.01 2dnf s GLU 13 Ca 0.15 -0.31 -0.12 0.00 0.36 0.00 0.00 54.97 55.04 2dnf s GLU 13 Cb -0.23 -2.93 0.19 0.00 0.26 0.00 0.00 34.13 31.43 2dnf s GLU 13 CO -0.04 0.73 1.09 -1.25 -0.54 0.00 0.00 175.26 175.25 2dnf s PRO 14 N -0.95 0.37 -0.02 4.30 0.04 -1.26 -4.47 135.00 133.01 2dnf s PRO 14 Ca 0.14 0.51 0.01 0.00 0.04 0.00 0.00 61.00 61.69 2dnf s PRO 14 Cb -0.12 -1.73 0.01 0.00 0.04 0.00 0.00 34.50 32.71 2dnf s PRO 14 CO 0.03 -2.77 -0.02 0.00 0.04 0.00 0.00 177.00 174.28 2dnf s THR 16 N 0.56 5.06 0.17 0.00 2.01 -1.26 -0.93 115.64 121.24 2dnf s THR 16 Ca -0.06 -0.25 0.10 0.00 0.31 0.00 0.00 61.69 61.79 2dnf s THR 16 Cb -0.09 -3.57 -0.04 0.00 0.01 0.00 0.00 72.50 68.81 2dnf s THR 16 CO -0.01 0.04 -0.21 0.27 -0.69 0.00 0.00 174.62 174.02 2dnf s ILE 17 N 1.69 2.03 -0.06 1.82 -4.36 0.14 -2.23 121.20 120.23 2dnf s ILE 17 Ca 0.06 -1.91 -0.05 0.00 -0.26 0.00 0.00 60.65 58.49 2dnf s ILE 17 Cb -0.17 -1.92 -0.04 0.00 1.25 0.00 0.00 42.46 41.58 2dnf s ILE 17 CO 0.09 -0.19 0.18 -0.36 0.24 0.00 0.00 174.94 174.89 2dnf s PHE 18 N -1.76 3.58 0.12 1.37 0.40 0.08 -0.71 117.98 121.05 2dnf s PHE 18 Ca 0.16 0.46 0.08 0.00 -0.60 0.00 0.00 56.93 57.04 2dnf s PHE 18 Cb -0.07 -1.90 -0.04 0.00 0.51 0.00 0.00 43.02 41.52 2dnf s PHE 18 CO 0.08 0.68 -0.20 -0.51 0.70 0.00 0.00 175.22 175.97 2dnf s LEU 19 N -1.51 2.33 0.03 -0.37 2.01 -0.55 -1.11 118.68 119.50 2dnf s LEU 19 Ca 0.22 -0.72 -0.01 0.00 0.01 0.00 0.00 54.13 53.62 2dnf s LEU 19 Cb -0.12 -0.87 -0.03 0.00 0.01 0.00 0.00 46.19 45.18 2dnf s LEU 19 CO 0.12 0.04 -0.01 -0.63 1.01 0.00 0.00 176.35 176.87 2dnf s ILE 20 N -1.35 0.15 0.06 -0.59 1.01 -1.08 -0.11 121.20 119.29 2dnf s ILE 20 Ca 0.08 -1.24 -0.29 0.00 0.00 0.00 0.00 60.65 59.21 2dnf s ILE 20 Cb -0.09 -0.76 -0.05 0.00 0.01 0.00 0.00 42.46 41.57 2dnf s ILE 20 CO 0.05 -0.68 0.91 0.00 0.00 0.00 0.00 174.94 175.21 2dnf s ALA 21 N -2.42 3.26 0.15 9.38 0.00 -1.26 -0.68 121.76 130.18 2dnf s ALA 21 Ca -0.07 0.48 -0.31 0.00 0.00 0.00 0.00 51.96 52.06 2dnf s ALA 21 Cb -0.03 -3.21 -0.09 0.00 0.00 0.00 0.00 23.12 19.79 2dnf s ALA 21 CO -0.04 -0.06 1.46 1.21 0.00 0.00 0.00 175.76 178.33 2dnf s ASN 22 N 0.28 6.72 -0.15 0.00 2.47 -1.13 -2.19 114.94 120.94 2dnf s ASN 22 Ca 0.46 2.47 0.00 0.00 0.42 0.00 0.00 52.86 56.21 2dnf s ASN 22 Cb -0.22 -2.59 0.00 0.00 -1.45 0.00 0.00 41.25 36.99 2dnf s ASN 22 CO 0.27 -0.72 0.00 0.61 -3.72 0.00 0.00 177.10 173.54 2dnf n GLY 23 N 3.48 0.51 3.25 1.21 0.00 -1.26 -4.92 105.19 107.46 2dnf n GLY 23 Ca 0.12 -0.51 -0.35 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.52 4.33 -0.17 1.61 2.15 -0.93 -4.96 116.67 116.19 2dnf s ASP 24 Ca 0.00 -0.66 0.14 0.00 0.43 0.00 0.00 52.55 52.46 2dnf s ASP 24 Cb 0.00 -1.71 0.36 0.00 -0.30 0.00 0.00 42.92 41.28 2dnf s ASP 24 CO 0.00 -0.09 1.19 0.18 -0.17 0.00 0.00 175.17 176.28 2dnf n LEU 25 N 4.74 2.42 -0.00 -1.34 7.99 -1.26 -4.69 117.00 124.86 2dnf n LEU 25 Ca -0.17 -3.45 -0.01 0.00 -0.01 0.00 0.00 56.01 52.37 2dnf n LEU 25 Cb 0.49 -0.45 -0.00 0.00 -0.11 0.00 0.00 43.42 43.34 2dnf n LEU 25 CO 0.28 1.09 -0.53 -0.38 -1.51 0.00 0.00 177.39 176.34 2dnf n ILE 26 N -1.12 0.05 -3.69 -0.08 -0.00 -1.26 -5.03 119.36 108.23 2dnf n ILE 26 Ca 0.17 -0.02 -0.37 0.00 -0.00 0.00 0.00 62.75 62.53 2dnf n ILE 26 Cb 0.69 -0.56 -0.06 0.00 -0.00 0.00 0.00 39.64 39.71 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 -4.11 6.50 1.20 4.38 0.02 -1.26 -5.10 114.94 116.57 2dnf s ASN 27 Ca -0.01 0.60 -0.16 0.00 -1.02 0.00 0.00 52.86 52.26 2dnf s ASN 27 Cb 0.00 -2.15 0.24 0.00 0.02 0.00 0.00 41.25 39.37 2dnf s ASN 27 CO 0.02 0.30 0.87 -0.81 0.02 0.00 0.00 177.10 177.49 2dnf n PRO 28 N 2.42 -2.70 -1.80 -0.60 -0.04 -1.26 -4.86 135.00 126.15 2dnf n PRO 28 Ca -0.16 -1.38 -0.30 0.00 -0.04 0.00 0.00 63.50 61.62 2dnf n PRO 28 Cb 0.53 -1.30 0.16 0.00 -0.04 0.00 0.00 33.50 32.86 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 -3.01 2.13 -0.09 0.55 0.00 -1.26 -4.82 121.76 115.25 2dnf s ALA 29 Ca 0.56 -0.99 0.00 0.00 0.00 0.00 0.00 51.96 51.53 2dnf s ALA 29 Cb -0.06 -2.85 0.02 0.00 0.00 0.00 0.00 23.12 20.24 2dnf s ALA 29 CO 0.43 -2.37 -0.07 0.45 0.00 0.00 0.00 175.76 174.21 2dnf s SER 30 N -4.64 1.85 -0.20 0.00 0.15 0.85 -4.89 113.70 106.81 2dnf s SER 30 Ca 0.70 -0.24 -0.29 0.00 0.70 0.00 0.00 55.95 56.81 2dnf s SER 30 Cb -0.07 -0.73 -0.02 0.00 -1.71 0.00 0.00 66.02 63.50 2dnf s SER 30 CO 0.52 -0.09 1.39 -0.60 1.20 0.00 0.00 173.24 175.66 2dnf s ARG 31 N 1.44 4.05 -0.03 5.44 3.52 -1.26 -1.49 118.95 130.63 2dnf s ARG 31 Ca -0.01 1.62 0.02 0.00 -0.13 0.00 0.00 55.73 57.23 2dnf s ARG 31 Cb -0.13 -3.88 0.00 0.00 -1.56 0.00 0.00 34.95 29.38 2dnf s ARG 31 CO -0.04 -0.95 -0.09 -1.17 -0.81 0.00 0.00 175.30 172.24 2dnf s LEU 32 N 4.14 1.77 -0.12 -0.88 2.96 0.11 -5.00 118.68 121.67 2dnf s LEU 32 Ca 0.61 -0.18 -0.06 0.00 -0.22 0.00 0.00 54.13 54.27 2dnf s LEU 32 Cb -0.22 -0.54 -0.04 0.00 0.50 0.00 0.00 46.19 45.88 2dnf s LEU 32 CO 0.22 0.06 0.11 -0.22 -1.32 0.00 0.00 176.35 175.19 2dnf s LEU 33 N 0.23 4.20 -0.16 -0.68 2.96 -1.26 -0.69 118.68 123.29 2dnf s LEU 33 Ca -0.04 0.39 0.00 0.00 -0.22 0.00 0.00 54.13 54.26 2dnf s LEU 33 Cb -0.09 -2.01 0.03 0.00 0.50 0.00 0.00 46.19 44.62 2dnf s LEU 33 CO 0.00 0.39 -0.11 -0.63 -1.32 0.00 0.00 176.35 174.69 2dnf s ILE 34 N -0.94 1.46 0.30 6.68 1.01 -0.11 -4.97 121.20 124.63 2dnf s ILE 34 Ca 0.14 -0.69 -0.29 0.00 0.00 0.00 0.00 60.65 59.81 2dnf s ILE 34 Cb -0.12 -1.46 -0.10 0.00 0.01 0.00 0.00 42.46 40.79 2dnf s ILE 34 CO 0.03 0.33 1.23 -2.16 0.00 0.00 0.00 174.94 174.38 2dnf s PRO 35 N 1.51 4.46 0.30 2.79 0.04 -1.26 -2.69 135.00 140.15 2dnf s PRO 35 Ca 0.03 2.05 0.13 0.00 0.04 0.00 0.00 61.00 63.26 2dnf s PRO 35 Cb -0.14 -3.13 1.02 0.00 0.04 0.00 0.00 34.50 32.30 2dnf s PRO 35 CO -0.09 -0.06 1.36 -2.13 0.04 0.00 0.00 177.00 176.12 2dnf n ARG 36 N 1.15 -0.06 -0.21 4.56 3.00 -1.26 0.15 116.66 123.99 2dnf n ARG 36 Ca 0.00 1.22 0.02 0.00 -0.00 0.00 0.00 57.85 59.09 2dnf n ARG 36 Cb 0.43 -2.11 0.13 0.00 0.00 0.00 0.00 32.46 30.90 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 0.29 -0.10 -0.14 1.63 -1.97 -1.59 116.57 114.68 2dnf h LYS 37 Ca 0.67 -0.02 -0.24 0.00 -0.85 0.00 0.00 60.65 60.22 2dnf h LYS 37 Cb 1.70 -0.06 0.01 0.00 -0.60 0.00 0.00 32.23 33.28 2dnf h LYS 37 CO -0.71 0.19 -0.87 1.15 -3.45 0.00 0.00 179.45 175.76 2dnf h THR 38 N 0.29 1.27 -0.90 1.00 2.02 0.11 -3.18 112.91 113.53 2dnf h THR 38 Ca 0.34 -2.06 0.21 0.00 0.77 0.00 0.00 66.41 65.67 2dnf h THR 38 Cb 0.50 2.11 -0.06 0.00 -1.74 0.00 0.00 68.15 68.96 2dnf h THR 38 CO -0.41 0.65 0.60 -0.07 0.37 0.00 0.00 175.52 176.66 2dnf h LEU 39 N 0.50 0.36 -1.82 2.58 3.38 -0.37 0.55 115.31 120.48 2dnf h LEU 39 Ca -0.08 0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 2dnf h LEU 39 Cb 1.51 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 42.23 2dnf h LEU 39 CO 0.18 0.14 -0.13 0.78 0.09 0.00 0.00 178.44 179.49 2dnf h ASN 40 N 0.35 0.00 -3.29 -0.43 -0.26 -1.30 -3.41 115.58 107.24 2dnf h ASN 40 Ca 0.46 0.00 -0.66 0.00 -0.56 0.00 0.00 56.30 55.54 2dnf h ASN 40 Cb 1.24 0.00 -0.30 0.00 -1.06 0.00 0.00 38.32 38.20 2dnf h ASN 40 CO -0.16 0.13 -0.78 -1.10 -1.06 0.00 0.00 177.43 174.46 2dnf s GLN 41 N -4.15 3.26 0.09 0.81 -1.52 0.19 -5.00 119.66 113.35 2dnf s GLN 41 Ca -0.02 -0.71 -0.13 0.00 -1.95 0.00 0.00 55.36 52.54 2dnf s GLN 41 Cb 0.13 -2.73 -0.18 0.00 -0.22 0.00 0.00 33.01 30.01 2dnf s GLN 41 CO 0.59 -0.04 1.27 2.35 -0.25 0.00 0.00 175.29 179.21 2dnf h TRP 42 N 7.52 1.05 -0.59 0.91 -0.00 -1.79 -3.22 115.95 119.83 2dnf h TRP 42 Ca -0.36 -0.51 0.03 0.00 -0.00 0.00 0.00 58.89 58.05 2dnf h TRP 42 Cb 1.18 -0.15 -0.04 0.00 -0.00 0.00 0.00 29.16 30.15 2dnf h TRP 42 CO 0.52 1.34 0.35 -0.44 -0.00 0.00 0.00 178.44 180.22 2dnf h ASP 43 N 0.48 0.57 -0.93 2.65 3.32 -1.94 -2.04 116.42 118.52 2dnf h ASP 43 Ca -0.08 0.01 0.09 0.00 0.02 0.00 0.00 57.03 57.07 2dnf h ASP 43 Cb 1.52 -0.11 -0.07 0.00 0.22 0.00 0.00 39.33 40.88 2dnf h ASP 43 CO 0.18 0.39 0.58 0.45 -1.72 0.00 0.00 179.24 179.12 2dnf h HIS 44 N 0.69 1.05 0.74 4.55 3.86 -1.86 -2.32 115.15 121.87 2dnf h HIS 44 Ca 0.24 0.03 -0.04 0.00 -1.16 0.00 0.00 60.37 59.45 2dnf h HIS 44 Cb 0.05 -0.33 0.01 0.00 1.06 0.00 0.00 27.41 28.19 2dnf h HIS 44 CO -0.06 0.47 -0.35 0.28 0.86 0.00 0.00 177.93 179.12 2dnf h VAL 45 N 0.97 0.00 -0.38 2.45 2.07 -1.40 -1.62 116.25 118.35 2dnf h VAL 45 Ca 0.44 -0.12 0.11 0.00 0.82 0.00 0.00 66.70 67.95 2dnf h VAL 45 Cb 0.34 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.09 2dnf h VAL 45 CO -0.23 0.00 0.70 -0.07 0.02 0.00 0.00 177.57 178.00 2dnf h LEU 46 N -1.11 0.00 0.00 2.57 -0.00 -1.26 1.41 115.31 116.92 2dnf h LEU 46 Ca -0.10 0.00 -0.25 0.00 -0.00 0.00 0.00 57.88 57.53 2dnf h LEU 46 Cb 0.76 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 41.38 2dnf h LEU 46 CO 0.17 0.00 -1.36 -0.61 -0.00 0.00 0.00 178.44 176.64 2dnf h GLN 47 N 0.00 0.00 0.00 1.13 5.75 -1.02 -3.28 115.11 117.68 2dnf h GLN 47 Ca 0.18 0.00 -0.15 0.00 -0.15 0.00 0.00 58.65 58.53 2dnf h GLN 47 Cb 1.59 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 30.11 2dnf h GLN 47 CO -0.00 0.72 -0.92 0.52 -2.65 0.00 0.00 178.83 176.49 2dnf h MET 48 N 0.00 0.00 -0.82 1.69 2.86 0.26 -3.37 114.93 115.55 2dnf h MET 48 Ca -0.15 0.00 0.20 0.00 -2.06 0.00 0.00 59.70 57.69 2dnf h MET 48 Cb 1.88 0.00 -0.13 0.00 0.06 0.00 0.00 31.60 33.41 2dnf h MET 48 CO 0.10 0.79 0.16 -0.24 1.06 0.00 0.00 176.91 178.78 2dnf h VAL 49 N -1.00 0.36 -0.33 -2.22 3.04 -0.32 -0.85 116.25 114.93 2dnf h VAL 49 Ca -0.23 -0.07 0.07 0.00 -1.01 0.00 0.00 66.70 65.46 2dnf h VAL 49 Cb 1.08 0.15 -0.08 0.00 -2.01 0.00 0.00 31.29 30.42 2dnf h VAL 49 CO -0.14 0.04 -0.35 0.74 -1.01 0.00 0.00 177.57 176.85 2dnf h THR 50 N 0.19 0.21 -1.18 3.17 2.02 -1.74 0.10 112.91 115.69 2dnf h THR 50 Ca 0.49 0.00 0.43 0.00 0.77 0.00 0.00 66.41 68.10 2dnf h THR 50 Cb 0.92 0.21 -0.14 0.00 -1.74 0.00 0.00 68.15 67.40 2dnf h THR 50 CO -0.63 0.00 0.73 -0.62 0.37 0.00 0.00 175.52 175.37 2dnf n GLU 51 N -5.42 -0.04 0.04 6.66 1.02 -0.33 0.93 120.64 123.51 2dnf n GLU 51 Ca -0.00 1.20 -0.22 0.00 -0.02 0.00 0.00 57.16 58.12 2dnf n GLU 51 Cb 0.34 -2.31 -0.14 0.00 -0.02 0.00 0.00 31.44 29.31 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 0.32 -4.25 3.49 1.79 -0.95 -3.43 116.57 113.54 2dnf h LYS 52 Ca 0.81 -0.54 -0.68 0.00 -2.18 0.00 0.00 60.65 58.06 2dnf h LYS 52 Cb 2.48 0.20 -0.37 0.00 -1.58 0.00 0.00 32.23 32.96 2dnf h LYS 52 CO -0.52 1.26 -0.58 0.42 -1.08 0.00 0.00 179.45 178.95 2dnf s ILE 53 N -2.53 2.97 -0.54 1.86 -1.09 0.26 -4.97 121.20 117.17 2dnf s ILE 53 Ca -0.18 -2.46 -0.19 0.00 -2.23 0.00 0.00 60.65 55.58 2dnf s ILE 53 Cb 0.05 -3.06 0.07 0.00 -1.58 0.00 0.00 42.46 37.94 2dnf s ILE 53 CO 0.81 -0.71 0.67 -0.89 -1.23 0.00 0.00 174.94 173.59 2dnf s THR 54 N 0.68 4.82 0.71 2.92 2.01 -1.09 -4.32 115.64 121.36 2dnf s THR 54 Ca 0.12 -0.58 -0.14 0.00 0.31 0.00 0.00 61.69 61.40 2dnf s THR 54 Cb -0.22 -4.37 0.03 0.00 0.01 0.00 0.00 72.50 67.95 2dnf s THR 54 CO -0.05 -0.93 1.12 -0.76 -0.69 0.00 0.00 174.62 173.32 2dnf s LEU 55 N 2.76 3.27 0.39 4.42 1.43 -1.01 -4.93 118.68 125.01 2dnf s LEU 55 Ca 0.15 2.02 0.08 0.00 -1.03 0.00 0.00 54.13 55.35 2dnf s LEU 55 Cb -0.20 -4.55 0.80 0.00 0.03 0.00 0.00 46.19 42.27 2dnf s LEU 55 CO 0.11 -1.89 1.96 0.03 0.23 0.00 0.00 176.35 176.79 2dnf h ARG 56 N -0.39 0.37 0.00 1.70 3.08 -1.97 -1.98 114.38 115.19 2dnf h ARG 56 Ca -0.46 -0.06 -0.14 0.00 0.07 0.00 0.00 59.98 59.40 2dnf h ARG 56 Cb 1.25 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 31.22 2dnf h ARG 56 CO 0.52 0.38 -0.65 1.03 -1.07 0.00 0.00 179.97 180.19 2dnf h SER 57 N 0.36 0.00 0.00 7.04 0.87 -1.99 -3.49 113.55 116.34 2dnf h SER 57 Ca 0.08 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.64 2dnf h SER 57 Cb 0.21 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.17 2dnf h SER 57 CO 0.00 0.65 0.00 0.61 -0.53 0.00 0.00 176.83 177.56 2dnf n GLY 58 N 0.48 -0.08 3.81 5.77 0.00 -0.75 -5.10 105.19 109.32 2dnf n GLY 58 Ca -0.01 -0.07 -0.22 0.00 0.00 0.00 0.00 46.02 45.73 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 3.68 0.14 4.61 0.00 -1.26 -2.39 121.76 125.54 2dnf s ALA 59 Ca 0.00 -1.67 -0.14 0.00 0.00 0.00 0.00 51.96 50.15 2dnf s ALA 59 Cb 0.00 -1.05 -0.07 0.00 0.00 0.00 0.00 23.12 22.00 2dnf s ALA 59 CO 0.00 0.06 0.55 0.54 0.00 0.00 0.00 175.76 176.91 2dnf s VAL 60 N -2.31 4.85 0.00 0.00 0.11 -1.26 -4.47 120.40 117.32 2dnf s VAL 60 Ca 0.38 0.84 0.00 0.00 -2.93 0.00 0.00 61.98 60.27 2dnf s VAL 60 Cb -0.05 -3.74 0.00 0.00 -1.53 0.00 0.00 36.38 31.06 2dnf s VAL 60 CO 0.25 0.26 0.00 1.41 -3.33 0.00 0.00 175.10 173.69 2dnf n HIS 61 N 0.84 0.00 -4.28 1.54 8.25 -1.05 -4.75 115.22 115.76 2dnf n HIS 61 Ca -0.06 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.25 2dnf n HIS 61 Cb 0.52 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.53 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 -1.86 1.20 0.05 -0.41 0.52 -0.29 -4.98 118.95 113.18 2dnf s ARG 62 Ca 0.00 -1.57 0.08 0.00 -0.52 0.00 0.00 55.73 53.72 2dnf s ARG 62 Cb 0.00 -0.54 -0.03 0.00 0.52 0.00 0.00 34.95 34.90 2dnf s ARG 62 CO 0.00 -0.05 -0.23 -0.51 0.02 0.00 0.00 175.30 174.53 2dnf s LEU 63 N -3.23 2.18 -0.05 2.53 2.01 -1.26 -1.04 118.68 119.81 2dnf s LEU 63 Ca 0.24 -0.56 -0.02 0.00 0.01 0.00 0.00 54.13 53.79 2dnf s LEU 63 Cb 0.05 -1.09 0.04 0.00 0.01 0.00 0.00 46.19 45.20 2dnf s LEU 63 CO 0.05 0.19 0.12 -0.31 1.01 0.00 0.00 176.35 177.41 2dnf s TYR 64 N -0.83 -0.11 1.22 0.29 2.02 0.65 -2.86 117.35 117.74 2dnf s TYR 64 Ca 0.09 0.39 -0.19 0.00 -0.37 0.00 0.00 57.07 56.99 2dnf s TYR 64 Cb -0.09 -0.14 0.29 0.00 -0.40 0.00 0.00 41.96 41.62 2dnf s TYR 64 CO 0.02 -0.15 1.09 0.95 -1.57 0.00 0.00 175.55 175.89 2dnf s THR 65 N 1.23 1.58 -0.37 -0.71 -4.23 -0.74 0.69 115.64 113.09 2dnf s THR 65 Ca -0.08 0.00 0.27 0.00 -1.18 0.00 0.00 61.69 60.69 2dnf s THR 65 Cb -0.12 -2.44 0.30 0.00 1.34 0.00 0.00 72.50 71.59 2dnf s THR 65 CO -0.05 0.00 1.79 -0.07 -0.54 0.00 0.00 174.62 175.74 2dnf h LEU 66 N -2.65 0.00 0.00 4.79 3.38 -1.92 -2.86 115.31 116.04 2dnf h LEU 66 Ca -0.45 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.35 2dnf h LEU 66 Cb 1.30 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.02 2dnf h LEU 66 CO 0.35 0.00 -1.38 1.05 0.09 0.00 0.00 178.44 178.54 2dnf h GLU 67 N 0.00 0.00 0.00 1.13 4.11 -1.93 -3.46 114.58 114.43 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 0.53 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.78 2dnf h GLU 67 CO 0.00 0.28 0.00 0.41 0.07 0.00 0.00 179.01 179.77 2dnf n GLY 68 N 1.39 1.78 3.89 1.06 0.00 -1.08 -5.09 105.19 107.14 2dnf n GLY 68 Ca -0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.11 3.73 -0.17 1.61 2.36 -1.26 -4.84 119.74 121.06 2dnf s LYS 69 Ca 0.00 0.24 -0.07 0.00 -2.55 0.00 0.00 55.97 53.59 2dnf s LYS 69 Cb 0.00 -2.55 -0.04 0.00 -1.05 0.00 0.00 37.83 34.19 2dnf s LYS 69 CO 0.00 0.15 0.08 -1.17 1.55 0.00 0.00 175.35 175.96 2dnf s LEU 70 N -3.48 3.94 -0.73 5.43 1.98 -1.26 -1.79 118.68 122.76 2dnf s LEU 70 Ca 0.47 0.17 -0.01 0.00 -2.89 0.00 0.00 54.13 51.87 2dnf s LEU 70 Cb -0.11 -1.99 0.18 0.00 0.66 0.00 0.00 46.19 44.94 2dnf s LEU 70 CO 0.28 0.23 0.57 -0.69 -1.89 0.00 0.00 176.35 174.85 2dnf s VAL 71 N 0.03 3.82 0.61 1.68 1.01 -1.13 -4.90 120.40 121.51 2dnf s VAL 71 Ca 0.07 -3.48 0.32 0.00 0.00 0.00 0.00 61.98 58.88 2dnf s VAL 71 Cb -0.12 -3.45 0.37 0.00 0.00 0.00 0.00 36.38 33.18 2dnf s VAL 71 CO 0.00 -0.97 2.21 -0.33 0.00 0.00 0.00 175.10 176.02 2dnf h GLU 72 N 6.42 0.00 -3.64 2.72 5.08 -1.97 -3.41 114.58 119.78 2dnf h GLU 72 Ca 0.07 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.35 2dnf h GLU 72 Cb 0.87 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 29.98 2dnf h GLU 72 CO 0.76 0.00 -0.30 0.45 -1.00 0.00 0.00 179.01 178.93 2dnf s SER 73 N -5.80 0.01 0.00 1.42 0.15 -1.26 -4.95 113.70 103.27 2dnf s SER 73 Ca -0.05 -0.50 0.06 0.00 0.70 0.00 0.00 55.95 56.16 2dnf s SER 73 Cb 0.15 0.36 0.31 0.00 -1.71 0.00 0.00 66.02 65.13 2dnf s SER 73 CO 0.51 -0.72 0.94 0.61 1.20 0.00 0.00 173.24 175.78 2dnf n GLY 74 N 0.06 -0.36 0.29 9.45 0.00 -1.26 -2.46 105.19 110.91 2dnf n GLY 74 Ca -0.16 -0.03 0.15 0.00 0.00 0.00 0.00 46.02 45.98 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 2.31 1.42 -0.39 4.61 0.00 -1.95 -0.31 119.26 124.94 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 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.82 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 -3.74 3.49 -3.54 0.00 1.02 -1.03 -4.92 120.64 111.92 2dnf n GLU 76 Ca -0.03 -2.08 -0.22 0.00 -0.02 0.00 0.00 57.16 54.82 2dnf n GLU 76 Cb 0.13 -1.96 -0.01 0.00 -0.02 0.00 0.00 31.44 29.58 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 -1.77 4.06 0.05 -4.62 1.43 -0.13 -5.06 118.68 112.64 2dnf s LEU 77 Ca 0.36 0.20 -0.04 0.00 -1.03 0.00 0.00 54.13 53.62 2dnf s LEU 77 Cb 0.27 -3.05 -0.02 0.00 0.03 0.00 0.00 46.19 43.42 2dnf s LEU 77 CO 0.12 -0.29 0.05 -0.70 0.23 0.00 0.00 176.35 175.75 2dnf s GLU 78 N -4.21 0.59 -0.59 1.70 2.12 -1.26 -5.10 118.70 111.96 2dnf s GLU 78 Ca 0.40 -0.93 -0.27 0.00 0.36 0.00 0.00 54.97 54.53 2dnf s GLU 78 Cb -0.09 0.22 -0.01 0.00 0.26 0.00 0.00 34.13 34.51 2dnf s GLU 78 CO 0.33 -0.14 1.74 0.54 -0.54 0.00 0.00 175.26 177.20 2dnf s ASN 79 N -2.42 5.53 0.00 -1.70 2.20 -1.26 -2.93 114.94 114.36 2dnf s ASN 79 Ca -0.01 0.35 0.00 0.00 -0.94 0.00 0.00 52.86 52.27 2dnf s ASN 79 Cb 0.02 -2.53 0.00 0.00 -2.00 0.00 0.00 41.25 36.73 2dnf s ASN 79 CO -0.07 -2.17 0.00 0.61 -2.94 0.00 0.00 177.10 172.53 2dnf n GLY 80 N 5.58 0.94 3.68 0.45 0.00 -0.94 -5.02 105.19 109.88 2dnf n GLY 80 Ca 0.18 -0.08 -0.26 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.53 2.10 -0.01 1.61 -1.52 -1.15 -4.99 119.66 115.17 2dnf s GLN 81 Ca 0.00 -1.98 0.08 0.00 -1.95 0.00 0.00 55.36 51.51 2dnf s GLN 81 Cb 0.00 -1.81 -0.02 0.00 -0.22 0.00 0.00 33.01 30.95 2dnf s GLN 81 CO 0.00 -0.09 -0.25 -0.06 -0.25 0.00 0.00 175.29 174.64 2dnf s PHE 82 N -2.65 2.23 -0.11 0.91 0.40 -1.26 -0.74 117.98 116.75 2dnf s PHE 82 Ca 0.38 -0.42 -0.05 0.00 -0.60 0.00 0.00 56.93 56.24 2dnf s PHE 82 Cb 0.07 -1.42 0.05 0.00 0.51 0.00 0.00 43.02 42.23 2dnf s PHE 82 CO 0.20 -0.01 0.25 0.71 0.70 0.00 0.00 175.22 177.08 2dnf s TYR 83 N -0.62 -0.35 0.12 0.36 1.51 -0.27 -4.37 117.35 113.72 2dnf s TYR 83 Ca 0.10 0.83 -0.25 0.00 -1.01 0.00 0.00 57.07 56.74 2dnf s TYR 83 Cb -0.10 0.04 -0.07 0.00 -0.11 0.00 0.00 41.96 41.73 2dnf s TYR 83 CO -0.00 -0.26 0.78 0.08 -1.11 0.00 0.00 175.55 175.04 2dnf s VAL 84 N 1.45 4.51 -0.27 0.71 1.01 0.22 -2.64 120.40 125.38 2dnf s VAL 84 Ca -0.08 1.70 -0.18 0.00 0.00 0.00 0.00 61.98 63.42 2dnf s VAL 84 Cb -0.11 -4.14 -0.03 0.00 0.00 0.00 0.00 36.38 32.11 2dnf s VAL 84 CO -0.09 0.45 0.52 0.00 0.00 0.00 0.00 175.10 175.99 2dnf s ALA 85 N -0.69 3.58 -0.14 5.51 0.00 0.14 -0.25 121.76 129.92 2dnf s ALA 85 Ca 0.37 -0.62 -0.01 0.00 0.00 0.00 0.00 51.96 51.71 2dnf s ALA 85 Cb -0.22 -2.91 -0.02 0.00 0.00 0.00 0.00 23.12 19.98 2dnf s ALA 85 CO 0.25 -0.78 -0.12 0.08 0.00 0.00 0.00 175.76 175.20 2dnf s VAL 86 N 2.33 3.15 0.00 0.00 1.01 -0.21 -2.86 120.40 123.82 2dnf s VAL 86 Ca 0.21 -0.62 0.00 0.00 0.00 0.00 0.00 61.98 61.57 2dnf s VAL 86 Cb -0.16 -2.34 0.00 0.00 0.00 0.00 0.00 36.38 33.89 2dnf s VAL 86 CO 0.09 0.51 0.00 0.61 0.00 0.00 0.00 175.10 176.32 2dnf n GLY 87 N 3.62 0.16 1.71 4.51 0.00 -1.26 -1.14 105.19 112.80 2dnf n GLY 87 Ca -0.18 -1.39 -0.05 0.00 0.00 0.00 0.00 46.02 44.40 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 1.41 -3.64 1.61 1.74 -1.26 -4.46 116.66 112.05 2dnf n ARG 88 Ca 0.00 -0.41 -0.14 0.00 -0.77 0.00 0.00 57.85 56.52 2dnf n ARG 88 Cb 0.00 -1.42 -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 -0.25 -1.52 0.00 0.00 177.63 175.86 2dnf n ASP 89 N 1.92 -0.56 -4.80 0.55 8.00 -1.26 -5.15 116.55 115.26 2dnf n ASP 89 Ca 0.18 -2.62 -0.34 0.00 0.71 0.00 0.00 54.79 52.72 2dnf n ASP 89 Cb 0.67 1.28 -0.02 0.00 -0.02 0.00 0.00 41.12 43.03 2dnf n ASP 89 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2dnf s LYS 90 N -2.98 3.69 -0.47 -1.24 3.01 -1.26 -4.98 119.74 115.50 2dnf s LYS 90 Ca 0.29 1.35 -0.28 0.00 -1.01 0.00 0.00 55.97 56.32 2dnf s LYS 90 Cb 0.01 -2.08 0.03 0.00 -1.01 0.00 0.00 37.83 34.79 2dnf s LYS 90 CO 0.21 -0.53 1.10 0.12 0.51 0.00 0.00 175.35 176.76 2dnf s PHE 91 N -2.04 2.84 -1.06 3.18 5.36 -1.26 -4.94 117.98 120.05 2dnf s PHE 91 Ca 0.67 0.65 -0.23 0.00 -0.96 0.00 0.00 56.93 57.07 2dnf s PHE 91 Cb -0.17 -4.35 -0.02 0.00 -0.34 0.00 0.00 43.02 38.14 2dnf s PHE 91 CO 0.23 -1.24 1.81 0.15 -1.46 0.00 0.00 175.22 174.71 2dnf s LYS 92 N 4.32 2.96 -0.75 10.12 1.02 -1.26 -4.90 119.74 131.26 2dnf s LYS 92 Ca 0.46 -0.94 -0.28 0.00 0.02 0.00 0.00 55.97 55.22 2dnf s LYS 92 Cb -0.08 -5.24 -0.15 0.00 -0.52 0.00 0.00 37.83 31.84 2dnf s LYS 92 CO 0.31 -3.14 2.55 1.17 -0.92 0.00 0.00 175.35 175.32 2dnf n LYS 93 N 8.64 0.52 -4.12 1.68 0.00 -1.26 -4.57 118.16 119.06 2dnf n LYS 93 Ca 0.41 -0.02 -0.15 0.00 0.00 0.00 0.00 58.31 58.55 2dnf n LYS 93 Cb 0.48 -2.49 -0.12 0.00 0.00 0.00 0.00 35.03 32.90 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 10.58 2.28 -0.33 3.14 1.43 -1.26 -5.11 118.68 129.42 2dnf s LEU 94 Ca 1.17 -0.61 -0.29 0.00 -1.03 0.00 0.00 54.13 53.37 2dnf s LEU 94 Cb -0.70 -0.31 -0.01 0.00 0.03 0.00 0.00 46.19 45.19 2dnf s LEU 94 CO 0.37 -0.16 1.69 -2.16 0.23 0.00 0.00 176.35 176.32 2dnf s PRO 95 N -1.78 3.46 -0.06 1.29 0.04 -1.26 -4.80 135.00 131.89 2dnf s PRO 95 Ca -0.05 1.36 0.05 0.00 0.04 0.00 0.00 61.00 62.40 2dnf s PRO 95 Cb -0.09 -4.13 -0.07 0.00 0.04 0.00 0.00 34.50 30.24 2dnf s PRO 95 CO 0.01 -1.70 0.02 0.66 0.04 0.00 0.00 177.00 176.03 2dnf n TYR 96 N 9.66 0.00 0.32 0.56 4.01 -1.26 -4.58 117.16 125.88 2dnf n TYR 96 Ca 0.21 0.00 0.10 0.00 -0.16 0.00 0.00 57.90 58.05 2dnf n TYR 96 Cb 0.47 -0.29 0.55 0.00 -0.31 0.00 0.00 39.34 39.75 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 1.15 0.00 1.03 2.72 0.00 -1.92 0.43 103.07 106.48 2dnf h GLY 97 Ca -0.16 0.00 -0.33 0.00 0.00 0.00 0.00 47.33 46.84 2dnf h GLY 97 CO 0.01 0.00 -1.68 0.83 0.00 0.00 0.00 176.54 175.70 2dnf h GLU 98 N 0.00 0.30 0.00 4.80 3.07 -1.82 -3.32 114.58 117.61 2dnf h GLU 98 Ca 0.00 -0.52 -0.02 0.00 -0.50 0.00 0.00 59.36 58.32 2dnf h GLU 98 Cb 1.05 0.19 -0.00 0.00 -0.84 0.00 0.00 28.75 29.15 2dnf h GLU 98 CO 0.00 1.18 -0.09 -0.07 -1.40 0.00 0.00 179.01 178.63 2dnf h LEU 99 N 0.08 0.00 0.58 1.33 3.38 -0.42 -3.03 115.31 117.24 2dnf h LEU 99 Ca -0.30 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.64 2dnf h LEU 99 Cb 2.06 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.81 2dnf h LEU 99 CO 0.16 0.09 -0.28 -0.07 0.09 0.00 0.00 178.44 178.43 2dnf h LEU 100 N 0.00 -0.66 0.00 1.67 3.38 -1.57 -3.43 115.31 114.69 2dnf h LEU 100 Ca -0.00 -0.04 -0.28 0.00 0.09 0.00 0.00 57.88 57.65 2dnf h LEU 100 Cb 0.28 0.17 -0.07 0.00 0.09 0.00 0.00 40.66 41.13 2dnf h LEU 100 CO 0.01 -0.33 -0.25 0.49 0.09 0.00 0.00 178.44 178.45 2dnf n PHE 101 N -5.35 -0.66 -1.46 1.13 3.72 -1.15 -4.95 117.46 108.75 2dnf n PHE 101 Ca -0.12 -1.75 -0.46 0.00 -0.05 0.00 0.00 57.45 55.07 2dnf n PHE 101 Cb 0.34 0.23 -0.02 0.00 -0.94 0.00 0.00 39.48 39.09 2dnf n PHE 101 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 2dnf n ASP 102 N -2.06 -0.55 0.05 4.37 9.92 -1.26 -4.65 116.55 122.36 2dnf n ASP 102 Ca 0.04 1.10 0.00 0.00 -0.53 0.00 0.00 54.79 55.40 2dnf n ASP 102 Cb 0.39 -1.07 0.00 0.00 -0.64 0.00 0.00 41.12 39.80 2dnf n ASP 102 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 2dnf n SER 103 N 1.71 0.07 0.00 -2.24 3.41 -1.26 -4.93 113.62 110.37 2dnf n SER 103 Ca 0.14 0.15 0.00 0.00 -0.26 0.00 0.00 58.87 58.91 2dnf n SER 103 Cb 0.30 0.08 0.00 0.00 -0.26 0.00 0.00 64.21 64.33 2dnf n SER 103 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dnf n GLY 104 N 1.99 -1.44 0.25 5.00 0.00 -1.26 -5.00 105.19 104.74 2dnf n GLY 104 Ca 0.00 0.64 -0.11 0.00 0.00 0.00 0.00 46.02 46.55 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 0.00 0.80 -6.79 1.61 0.13 -2.02 -3.47 132.00 122.26 2dnf h PRO 105 Ca 0.00 -0.42 -0.56 0.00 -0.87 0.00 0.00 66.00 64.15 2dnf h PRO 105 Cb 0.00 0.02 -0.13 0.00 0.13 0.00 0.00 31.00 31.02 2dnf h PRO 105 CO 0.00 1.06 -0.93 0.43 -0.23 0.00 0.00 178.00 178.33 2dnf n SER 106 N -4.04 0.26 -3.98 1.44 7.64 -1.26 -4.92 113.62 108.76 2dnf n SER 106 Ca -0.02 -1.15 -0.30 0.00 1.01 0.00 0.00 58.87 58.41 2dnf n SER 106 Cb 0.54 -2.32 -0.14 0.00 -1.01 0.00 0.00 64.21 61.28 2dnf n SER 106 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2dnf s SER 107 N -4.37 4.49 0.00 6.43 0.01 -1.26 -5.14 113.70 113.86 2dnf s SER 107 Ca 0.01 -2.68 0.00 0.00 1.31 0.00 0.00 55.95 54.59 2dnf s SER 107 Cb -0.00 -1.63 0.00 0.00 0.21 0.00 0.00 66.02 64.59 2dnf s SER 107 CO 0.94 -0.29 0.00 0.61 0.41 0.00 0.00 173.24 174.91