#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 5.39 0.33 1.61 0.15 -1.26 -4.97 113.70 114.95 2dnf s SER 2 Ca 0.00 -0.56 0.10 0.00 0.70 0.00 0.00 55.95 56.19 2dnf s SER 2 Cb 0.00 -1.96 0.88 0.00 -1.71 0.00 0.00 66.02 63.23 2dnf s SER 2 CO 0.00 -0.18 1.76 0.77 1.20 0.00 0.00 173.24 176.79 2dnf h SER 3 N 8.31 0.66 0.00 5.45 4.64 -2.10 -3.45 113.55 127.07 2dnf h SER 3 Ca -0.32 0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.11 2dnf h SER 3 Cb 1.14 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 2dnf h SER 3 CO 0.61 0.16 0.00 0.61 -0.87 0.00 0.00 176.83 177.34 2dnf n GLY 4 N -1.36 0.85 3.43 -0.77 0.00 -1.26 -4.72 105.19 101.37 2dnf n GLY 4 Ca 0.25 0.42 -0.09 0.00 0.00 0.00 0.00 46.02 46.59 2dnf n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dnf s SER 5 N -4.00 -0.06 -0.30 1.61 0.01 -1.26 -5.16 113.70 104.54 2dnf s SER 5 Ca 0.00 -0.79 -0.15 0.00 1.31 0.00 0.00 55.95 56.32 2dnf s SER 5 Cb 0.00 0.50 0.17 0.00 0.21 0.00 0.00 66.02 66.90 2dnf s SER 5 CO 0.00 -0.98 1.02 -0.55 0.41 0.00 0.00 173.24 173.14 2dnf s SER 6 N -2.96 -0.52 0.04 2.44 0.15 -1.26 -5.18 113.70 106.41 2dnf s SER 6 Ca 0.17 0.62 -0.28 0.00 0.70 0.00 0.00 55.95 57.16 2dnf s SER 6 Cb 0.02 1.56 0.10 0.00 -1.71 0.00 0.00 66.02 65.98 2dnf s SER 6 CO 0.01 -0.10 1.20 -0.83 1.20 0.00 0.00 173.24 174.73 2dnf s GLY 7 N 2.51 -0.24 -1.74 9.45 0.00 -1.26 -4.98 107.32 111.06 2dnf s GLY 7 Ca -0.01 0.31 -0.19 0.00 0.00 0.00 0.00 44.72 44.82 2dnf s GLY 7 CO -0.16 1.73 0.74 -2.13 0.00 0.00 0.00 173.10 173.28 2dnf n ARG 8 N -0.62 -2.68 -3.51 2.90 3.00 -1.26 -4.91 116.66 109.58 2dnf n ARG 8 Ca -0.05 0.33 -0.38 0.00 -0.00 0.00 0.00 57.85 57.75 2dnf n ARG 8 Cb 0.61 -5.00 -0.06 0.00 0.00 0.00 0.00 32.46 28.01 2dnf n ARG 8 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 2dnf s LYS 9 N -6.99 3.95 0.54 -0.14 1.02 -1.26 -5.09 119.74 111.76 2dnf s LYS 9 Ca 0.74 0.36 -0.09 0.00 0.02 0.00 0.00 55.97 57.00 2dnf s LYS 9 Cb -0.41 -3.25 0.13 0.00 -0.52 0.00 0.00 37.83 33.78 2dnf s LYS 9 CO 0.95 0.62 0.48 -0.35 -0.92 0.00 0.00 175.35 176.12 2dnf n PRO 10 N 2.12 -1.95 -1.93 -1.68 -0.04 -1.26 -4.92 135.00 125.34 2dnf n PRO 10 Ca -0.14 -0.76 -0.42 0.00 -0.04 0.00 0.00 63.50 62.14 2dnf n PRO 10 Cb 0.52 -0.71 -0.03 0.00 -0.04 0.00 0.00 33.50 33.24 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 4.36 -0.47 1.53 1.02 -1.26 -4.92 118.68 118.94 2dnf s LEU 11 Ca 0.31 2.40 0.08 0.00 0.02 0.00 0.00 54.13 56.93 2dnf s LEU 11 Cb -0.03 -3.54 0.38 0.00 0.02 0.00 0.00 46.19 43.02 2dnf s LEU 11 CO 0.24 -0.93 0.97 0.00 0.02 0.00 0.00 176.35 176.64 2dnf n GLN 12 N 6.62 2.68 -1.57 1.70 -0.00 -1.26 -5.09 117.38 120.45 2dnf n GLN 12 Ca 0.17 -4.32 -0.41 0.00 -0.00 0.00 0.00 57.00 52.44 2dnf n GLN 12 Cb 0.42 -2.03 0.01 0.00 -0.00 0.00 0.00 30.24 28.64 2dnf n GLN 12 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 2dnf n GLU 13 N -0.22 1.12 -1.15 2.61 4.71 -1.26 -4.29 120.64 122.17 2dnf n GLU 13 Ca 0.30 0.41 -0.29 0.00 -0.01 0.00 0.00 57.16 57.57 2dnf n GLU 13 Cb 0.57 -1.92 0.19 0.00 -1.01 0.00 0.00 31.44 29.28 2dnf n GLU 13 CO 0.00 0.00 0.00 -1.25 0.09 0.00 0.00 177.13 175.97 2dnf s PRO 14 N -1.96 0.06 -0.04 3.49 0.04 -1.26 -4.52 135.00 130.81 2dnf s PRO 14 Ca 0.64 0.39 0.04 0.00 0.04 0.00 0.00 61.00 62.11 2dnf s PRO 14 Cb -0.56 -1.70 0.00 0.00 0.04 0.00 0.00 34.50 32.27 2dnf s PRO 14 CO 0.56 -2.95 -0.14 0.00 0.04 0.00 0.00 177.00 174.51 2dnf s THR 16 N 0.16 4.95 0.13 0.00 2.01 -1.26 -1.43 115.64 120.19 2dnf s THR 16 Ca -0.05 -0.92 0.10 0.00 0.31 0.00 0.00 61.69 61.14 2dnf s THR 16 Cb -0.11 -3.85 -0.04 0.00 0.01 0.00 0.00 72.50 68.51 2dnf s THR 16 CO 0.02 -0.39 -0.25 0.27 -0.69 0.00 0.00 174.62 173.58 2dnf s ILE 17 N 1.60 2.14 -0.16 1.82 -4.36 -0.24 -1.48 121.20 120.53 2dnf s ILE 17 Ca 0.04 -1.74 -0.09 0.00 -0.26 0.00 0.00 60.65 58.59 2dnf s ILE 17 Cb -0.21 -1.91 -0.05 0.00 1.25 0.00 0.00 42.46 41.55 2dnf s ILE 17 CO 0.07 0.03 0.16 -0.36 0.24 0.00 0.00 174.94 175.09 2dnf s PHE 18 N -1.15 3.50 0.16 1.37 0.40 -0.46 -0.15 117.98 121.65 2dnf s PHE 18 Ca 0.13 0.46 0.06 0.00 -0.60 0.00 0.00 56.93 56.98 2dnf s PHE 18 Cb -0.10 -2.10 -0.04 0.00 0.51 0.00 0.00 43.02 41.29 2dnf s PHE 18 CO 0.06 0.47 0.04 -0.51 0.70 0.00 0.00 175.22 175.98 2dnf s LEU 19 N -0.22 3.47 -0.02 -0.37 2.01 -0.46 -0.12 118.68 122.97 2dnf s LEU 19 Ca 0.12 -0.30 -0.05 0.00 0.01 0.00 0.00 54.13 53.92 2dnf s LEU 19 Cb -0.12 -2.12 0.00 0.00 0.01 0.00 0.00 46.19 43.97 2dnf s LEU 19 CO 0.02 0.09 0.10 -0.63 1.01 0.00 0.00 176.35 176.94 2dnf s ILE 20 N -1.68 0.05 -0.32 -0.59 1.01 -0.89 -0.34 121.20 118.44 2dnf s ILE 20 Ca 0.28 -0.43 -0.29 0.00 0.00 0.00 0.00 60.65 60.21 2dnf s ILE 20 Cb -0.10 -0.30 0.00 0.00 0.01 0.00 0.00 42.46 42.08 2dnf s ILE 20 CO 0.20 -0.24 1.30 0.00 0.00 0.00 0.00 174.94 176.20 2dnf s ALA 21 N -0.78 3.33 0.23 9.38 0.00 -1.26 -0.76 121.76 131.91 2dnf s ALA 21 Ca -0.09 0.06 -0.32 0.00 0.00 0.00 0.00 51.96 51.62 2dnf s ALA 21 Cb -0.05 -3.79 -0.13 0.00 0.00 0.00 0.00 23.12 19.15 2dnf s ALA 21 CO 0.01 -1.83 1.46 0.27 0.00 0.00 0.00 175.76 175.67 2dnf n ASN 22 N 7.71 2.96 0.00 0.00 6.94 -1.15 -0.88 115.26 130.84 2dnf n ASN 22 Ca 0.15 1.13 0.00 0.00 -0.02 0.00 0.00 54.58 55.84 2dnf n ASN 22 Cb 0.47 -1.45 0.00 0.00 -2.36 0.00 0.00 39.78 36.44 2dnf n ASN 22 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2dnf n GLY 23 N 2.40 1.48 3.53 4.83 0.00 -1.26 -5.00 105.19 111.16 2dnf n GLY 23 Ca 0.12 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.76 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 -3.24 5.70 -0.17 1.61 -1.08 -0.06 -4.94 116.67 114.50 2dnf s ASP 24 Ca 0.00 -0.16 0.15 0.00 -0.52 0.00 0.00 52.55 52.02 2dnf s ASP 24 Cb 0.00 -2.05 0.35 0.00 -1.46 0.00 0.00 42.92 39.76 2dnf s ASP 24 CO 0.00 -0.08 1.18 0.18 0.52 0.00 0.00 175.17 176.98 2dnf n LEU 25 N 5.01 2.48 -0.01 -1.34 7.99 -1.26 -4.66 117.00 125.22 2dnf n LEU 25 Ca -0.15 -3.45 -0.01 0.00 -0.01 0.00 0.00 56.01 52.39 2dnf n LEU 25 Cb 0.51 -0.47 -0.01 0.00 -0.11 0.00 0.00 43.42 43.34 2dnf n LEU 25 CO 0.33 1.04 -0.56 -0.38 -1.51 0.00 0.00 177.39 176.31 2dnf n ILE 26 N -1.25 0.11 -3.66 -0.08 -0.00 -1.26 -5.01 119.36 108.21 2dnf n ILE 26 Ca 0.17 -0.05 -0.37 0.00 -0.00 0.00 0.00 62.75 62.50 2dnf n ILE 26 Cb 0.67 -0.66 -0.06 0.00 -0.00 0.00 0.00 39.64 39.59 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 -3.96 6.63 1.02 4.38 0.02 -1.26 -5.10 114.94 116.67 2dnf s ASN 27 Ca -0.02 0.75 -0.02 0.00 -1.02 0.00 0.00 52.86 52.55 2dnf s ASN 27 Cb 0.01 -2.17 0.03 0.00 0.02 0.00 0.00 41.25 39.13 2dnf s ASN 27 CO 0.05 0.35 0.10 -0.81 0.02 0.00 0.00 177.10 176.81 2dnf n PRO 28 N 1.81 -1.22 -1.44 -0.60 -0.04 -1.26 -4.87 135.00 127.38 2dnf n PRO 28 Ca -0.16 -0.16 -0.14 0.00 -0.04 0.00 0.00 63.50 63.00 2dnf n PRO 28 Cb 0.53 -0.15 0.08 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 n ALA 29 N -3.17 -0.23 -3.58 0.55 0.00 -1.26 -4.75 120.51 108.07 2dnf n ALA 29 Ca -0.02 -1.01 -0.24 0.00 0.00 0.00 0.00 53.44 52.17 2dnf n ALA 29 Cb 0.05 0.09 -0.16 0.00 0.00 0.00 0.00 19.45 19.44 2dnf n ALA 29 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2dnf s SER 30 N -3.35 2.07 -0.54 0.00 0.01 0.54 -4.90 113.70 107.54 2dnf s SER 30 Ca 0.37 -0.50 -0.27 0.00 1.31 0.00 0.00 55.95 56.87 2dnf s SER 30 Cb -0.02 -0.08 -0.03 0.00 0.21 0.00 0.00 66.02 66.10 2dnf s SER 30 CO 0.25 -0.34 1.98 -0.60 0.41 0.00 0.00 173.24 174.94 2dnf s ARG 31 N 2.19 2.62 -0.04 12.44 3.52 -1.26 -1.36 118.95 137.06 2dnf s ARG 31 Ca 0.03 0.93 0.05 0.00 -0.13 0.00 0.00 55.73 56.61 2dnf s ARG 31 Cb -0.16 -4.41 -0.03 0.00 -1.56 0.00 0.00 34.95 28.80 2dnf s ARG 31 CO -0.10 -2.72 -0.16 -1.17 -0.81 0.00 0.00 175.30 170.34 2dnf s LEU 32 N 9.46 2.62 -0.09 -0.88 2.96 0.79 -4.95 118.68 128.60 2dnf s LEU 32 Ca 0.76 -0.26 -0.04 0.00 -0.22 0.00 0.00 54.13 54.37 2dnf s LEU 32 Cb -0.15 -1.52 -0.04 0.00 0.50 0.00 0.00 46.19 44.98 2dnf s LEU 32 CO 0.24 0.33 0.08 -0.22 -1.32 0.00 0.00 176.35 175.47 2dnf s LEU 33 N -0.79 4.03 -0.12 -0.68 2.96 -1.26 -1.07 118.68 121.75 2dnf s LEU 33 Ca 0.12 0.30 -0.01 0.00 -0.22 0.00 0.00 54.13 54.32 2dnf s LEU 33 Cb -0.10 -2.04 0.03 0.00 0.50 0.00 0.00 46.19 44.58 2dnf s LEU 33 CO 0.01 0.37 -0.06 -0.63 -1.32 0.00 0.00 176.35 174.72 2dnf s ILE 34 N -1.02 0.93 0.02 6.68 1.01 -0.51 -4.98 121.20 123.33 2dnf s ILE 34 Ca 0.16 -0.29 -0.30 0.00 0.00 0.00 0.00 60.65 60.21 2dnf s ILE 34 Cb -0.12 -1.01 -0.06 0.00 0.01 0.00 0.00 42.46 41.28 2dnf s ILE 34 CO 0.06 0.29 1.43 -2.16 0.00 0.00 0.00 174.94 174.56 2dnf s PRO 35 N 1.74 4.28 0.20 2.79 0.04 -1.26 -2.55 135.00 140.23 2dnf s PRO 35 Ca 0.04 2.02 0.07 0.00 0.04 0.00 0.00 61.00 63.18 2dnf s PRO 35 Cb -0.13 -3.53 0.64 0.00 0.04 0.00 0.00 34.50 31.52 2dnf s PRO 35 CO -0.08 -0.57 0.92 -2.13 0.04 0.00 0.00 177.00 175.18 2dnf n ARG 36 N 5.20 -0.04 -0.19 4.56 0.00 -1.26 0.18 116.66 125.11 2dnf n ARG 36 Ca 0.13 0.84 -0.02 0.00 -0.00 0.00 0.00 57.85 58.80 2dnf n ARG 36 Cb 0.43 -1.43 0.05 0.00 0.00 0.00 0.00 32.46 31.51 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 -0.04 -0.43 -0.14 1.63 -1.89 -0.69 116.57 115.01 2dnf h LYS 37 Ca 0.44 0.00 -0.14 0.00 -0.85 0.00 0.00 60.65 60.10 2dnf h LYS 37 Cb 1.06 0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 32.69 2dnf h LYS 37 CO -0.50 -0.03 -0.29 1.15 -3.45 0.00 0.00 179.45 176.34 2dnf h THR 38 N -0.05 1.27 -1.01 1.00 2.02 0.15 -2.92 112.91 113.38 2dnf h THR 38 Ca 0.27 -1.45 0.29 0.00 0.77 0.00 0.00 66.41 66.29 2dnf h THR 38 Cb 0.47 1.26 -0.04 0.00 -1.74 0.00 0.00 68.15 68.10 2dnf h THR 38 CO -0.62 0.49 0.88 -0.07 0.37 0.00 0.00 175.52 176.58 2dnf h LEU 39 N 0.78 0.00 -0.86 2.58 4.07 -0.70 0.70 115.31 121.89 2dnf h LEU 39 Ca 0.09 0.00 -0.07 0.00 0.08 0.00 0.00 57.88 57.98 2dnf h LEU 39 Cb 0.87 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.59 2dnf h LEU 39 CO 0.08 0.00 0.10 0.78 -1.08 0.00 0.00 178.44 178.32 2dnf h ASN 40 N 0.00 0.90 -3.39 -0.43 2.35 -1.27 -3.36 115.58 110.38 2dnf h ASN 40 Ca 0.48 -0.20 -0.74 0.00 -0.55 0.00 0.00 56.30 55.30 2dnf h ASN 40 Cb 2.24 -0.24 -0.29 0.00 0.05 0.00 0.00 38.32 40.09 2dnf h ASN 40 CO -0.01 0.90 -0.31 -1.10 -1.65 0.00 0.00 177.43 175.27 2dnf s GLN 41 N -5.17 2.68 0.22 0.81 -1.52 0.24 -4.95 119.66 111.98 2dnf s GLN 41 Ca -0.11 -1.89 -0.08 0.00 -1.95 0.00 0.00 55.36 51.33 2dnf s GLN 41 Cb 0.15 -4.02 0.36 0.00 -0.22 0.00 0.00 33.01 29.28 2dnf s GLN 41 CO 0.82 -1.23 1.67 2.35 -0.25 0.00 0.00 175.29 178.66 2dnf h TRP 42 N 8.33 0.09 -0.69 0.91 -0.00 -1.74 0.09 115.95 122.94 2dnf h TRP 42 Ca -0.18 0.04 0.13 0.00 -0.00 0.00 0.00 58.89 58.88 2dnf h TRP 42 Cb 1.06 0.06 -0.09 0.00 -0.00 0.00 0.00 29.16 30.20 2dnf h TRP 42 CO 0.70 -0.13 0.24 0.22 -0.00 0.00 0.00 178.44 179.47 2dnf h ASP 43 N 0.18 0.18 0.35 2.65 3.58 -1.92 0.35 116.42 121.79 2dnf h ASP 43 Ca 0.36 0.11 -0.02 0.00 0.42 0.00 0.00 57.03 57.90 2dnf h ASP 43 Cb 0.59 0.11 -0.00 0.00 1.72 0.00 0.00 39.33 41.74 2dnf h ASP 43 CO -0.52 0.08 -0.08 0.45 -2.88 0.00 0.00 179.24 176.29 2dnf h HIS 44 N 0.38 0.00 -0.11 0.28 3.86 -1.30 -2.34 115.15 115.93 2dnf h HIS 44 Ca 0.37 0.00 -0.16 0.00 -1.16 0.00 0.00 60.37 59.42 2dnf h HIS 44 Cb 0.55 0.00 0.01 0.00 1.06 0.00 0.00 27.41 29.03 2dnf h HIS 44 CO -0.19 0.08 -0.55 0.28 0.86 0.00 0.00 177.93 178.40 2dnf h VAL 45 N 0.00 1.35 -0.02 2.45 2.07 0.21 -3.20 116.25 119.11 2dnf h VAL 45 Ca -0.00 -1.85 -0.10 0.00 0.82 0.00 0.00 66.70 65.57 2dnf h VAL 45 Cb 0.27 2.16 -0.01 0.00 -1.52 0.00 0.00 31.29 32.19 2dnf h VAL 45 CO 0.01 0.56 -0.45 -0.07 0.02 0.00 0.00 177.57 177.64 2dnf h LEU 46 N 0.19 0.05 -1.65 2.57 -0.00 -1.01 -0.27 115.31 115.19 2dnf h LEU 46 Ca -0.04 -0.02 -0.02 0.00 -0.00 0.00 0.00 57.88 57.80 2dnf h LEU 46 Cb 1.19 -0.01 -0.01 0.00 -0.00 0.00 0.00 40.66 41.83 2dnf h LEU 46 CO 0.11 0.50 -0.02 -0.61 -0.00 0.00 0.00 178.44 178.43 2dnf h GLN 47 N 0.04 0.20 0.06 1.13 5.75 -1.43 -1.56 115.11 119.29 2dnf h GLN 47 Ca -0.00 -0.03 -0.35 0.00 -0.15 0.00 0.00 58.65 58.12 2dnf h GLN 47 Cb 0.82 -0.04 -0.04 0.00 1.07 0.00 0.00 27.48 29.29 2dnf h GLN 47 CO 0.06 0.24 -2.08 0.00 -2.65 0.00 0.00 178.83 174.40 2dnf n MET 48 N -4.40 0.70 0.13 1.69 0.00 -1.06 -4.13 117.12 110.05 2dnf n MET 48 Ca -0.01 0.22 0.06 0.00 0.00 0.00 0.00 57.70 57.97 2dnf n MET 48 Cb 0.17 -1.67 0.52 0.00 0.00 0.00 0.00 33.22 32.24 2dnf n MET 48 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 2dnf h VAL 49 N 0.03 1.06 -0.06 3.17 2.07 -0.87 -1.44 116.25 120.22 2dnf h VAL 49 Ca -0.44 -0.14 -0.10 0.00 0.82 0.00 0.00 66.70 66.84 2dnf h VAL 49 Cb 2.03 0.78 -0.01 0.00 -1.52 0.00 0.00 31.29 32.56 2dnf h VAL 49 CO 0.04 0.06 -0.44 0.74 0.02 0.00 0.00 177.57 177.99 2dnf h THR 50 N 0.28 1.32 0.00 2.57 2.02 -1.45 0.27 112.91 117.92 2dnf h THR 50 Ca 0.07 -1.57 -0.02 0.00 0.77 0.00 0.00 66.41 65.67 2dnf h THR 50 Cb -0.01 1.78 -0.00 0.00 -1.74 0.00 0.00 68.15 68.18 2dnf h THR 50 CO -0.01 0.46 -0.09 -0.33 0.37 0.00 0.00 175.52 175.91 2dnf h GLU 51 N 0.11 0.00 0.05 6.66 5.08 -1.41 -2.81 114.58 122.25 2dnf h GLU 51 Ca 0.01 0.00 -0.38 0.00 -1.00 0.00 0.00 59.36 57.99 2dnf h GLU 51 Cb 0.83 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.03 2dnf h GLU 51 CO 0.06 0.09 -2.29 1.63 -1.00 0.00 0.00 179.01 177.50 2dnf n LYS 52 N -4.25 0.69 -3.94 2.33 4.76 -1.04 -4.75 118.16 111.97 2dnf n LYS 52 Ca -0.03 0.19 -0.29 0.00 -2.87 0.00 0.00 58.31 55.31 2dnf n LYS 52 Cb 0.17 -1.59 -0.13 0.00 -1.84 0.00 0.00 35.03 31.64 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 -2.53 2.67 -0.49 -0.18 -1.09 0.06 -4.99 121.20 114.65 2dnf s ILE 53 Ca -0.30 -3.59 -0.23 0.00 -2.23 0.00 0.00 60.65 54.30 2dnf s ILE 53 Cb 0.08 -2.83 0.03 0.00 -1.58 0.00 0.00 42.46 38.17 2dnf s ILE 53 CO 0.67 -0.86 0.83 -0.89 -1.23 0.00 0.00 174.94 173.46 2dnf s THR 54 N -0.62 4.57 0.34 2.92 2.01 -1.07 -4.39 115.64 119.40 2dnf s THR 54 Ca 0.19 0.33 -0.27 0.00 0.31 0.00 0.00 61.69 62.25 2dnf s THR 54 Cb -0.20 -4.40 -0.09 0.00 0.01 0.00 0.00 72.50 67.82 2dnf s THR 54 CO -0.05 -0.86 1.05 -0.76 -0.69 0.00 0.00 174.62 173.32 2dnf s LEU 55 N 3.47 4.34 0.65 4.42 1.43 -1.20 -4.91 118.68 126.87 2dnf s LEU 55 Ca 0.29 2.10 0.40 0.00 -1.03 0.00 0.00 54.13 55.90 2dnf s LEU 55 Cb -0.13 -3.93 2.23 0.00 0.03 0.00 0.00 46.19 44.39 2dnf s LEU 55 CO 0.21 -0.29 2.31 0.03 0.23 0.00 0.00 176.35 178.84 2dnf h ARG 56 N 3.14 0.00 0.02 1.70 2.47 -1.96 -0.32 114.38 119.43 2dnf h ARG 56 Ca -0.47 0.00 -0.21 0.00 -1.26 0.00 0.00 59.98 58.03 2dnf h ARG 56 Cb 1.21 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 29.51 2dnf h ARG 56 CO 0.65 0.00 -1.00 0.66 0.56 0.00 0.00 179.97 180.84 2dnf h SER 57 N 0.00 0.09 0.00 7.04 4.64 -2.01 -3.49 113.55 119.82 2dnf h SER 57 Ca 0.00 -0.09 0.00 0.00 -0.47 0.00 0.00 61.79 61.23 2dnf h SER 57 Cb 0.06 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 2dnf h SER 57 CO -0.00 1.03 0.00 0.61 -0.87 0.00 0.00 176.83 177.60 2dnf n GLY 58 N 1.25 -0.72 3.63 -0.77 0.00 -0.13 -5.05 105.19 103.39 2dnf n GLY 58 Ca -0.02 0.24 -0.31 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.06 0.52 -2.44 4.61 0.00 -1.26 -3.26 120.51 118.63 2dnf n ALA 59 Ca 0.00 -2.24 -0.36 0.00 0.00 0.00 0.00 53.44 50.84 2dnf n ALA 59 Cb 0.00 1.15 -0.06 0.00 0.00 0.00 0.00 19.45 20.54 2dnf n ALA 59 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2dnf s VAL 60 N -2.78 4.94 0.00 0.00 1.01 -1.26 -4.26 120.40 118.05 2dnf s VAL 60 Ca 0.07 0.79 0.00 0.00 0.00 0.00 0.00 61.98 62.84 2dnf s VAL 60 Cb -0.01 -3.73 0.00 0.00 0.00 0.00 0.00 36.38 32.65 2dnf s VAL 60 CO 0.05 0.38 0.00 1.41 0.00 0.00 0.00 175.10 176.94 2dnf n HIS 61 N 1.20 0.00 -4.06 5.22 8.25 -1.14 -4.81 115.22 119.88 2dnf n HIS 61 Ca -0.09 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.28 2dnf n HIS 61 Cb 0.52 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.54 2dnf n HIS 61 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 2dnf s ARG 62 N -1.63 0.97 0.24 -0.41 0.52 0.54 -5.01 118.95 114.16 2dnf s ARG 62 Ca 0.00 -1.29 0.11 0.00 -0.52 0.00 0.00 55.73 54.03 2dnf s ARG 62 Cb 0.00 0.29 -0.05 0.00 0.52 0.00 0.00 34.95 35.72 2dnf s ARG 62 CO 0.00 -0.30 -0.15 -0.51 0.02 0.00 0.00 175.30 174.36 2dnf s LEU 63 N -2.99 2.73 -0.16 2.53 2.01 -1.25 -0.21 118.68 121.35 2dnf s LEU 63 Ca 0.19 -0.84 -0.07 0.00 0.01 0.00 0.00 54.13 53.41 2dnf s LEU 63 Cb 0.06 -1.33 0.07 0.00 0.01 0.00 0.00 46.19 45.00 2dnf s LEU 63 CO -0.01 0.06 0.36 -0.31 1.01 0.00 0.00 176.35 177.46 2dnf s TYR 64 N -2.14 -0.59 0.85 0.29 1.51 0.13 -2.52 117.35 114.87 2dnf s TYR 64 Ca 0.27 1.23 -0.12 0.00 -1.01 0.00 0.00 57.07 57.44 2dnf s TYR 64 Cb -0.07 0.19 0.10 0.00 -0.11 0.00 0.00 41.96 42.07 2dnf s TYR 64 CO 0.15 -0.37 1.13 0.95 -1.11 0.00 0.00 175.55 176.29 2dnf s THR 65 N 1.97 2.44 0.21 -0.71 -4.23 -0.56 0.11 115.64 114.87 2dnf s THR 65 Ca -0.05 0.14 0.36 0.00 -1.18 0.00 0.00 61.69 60.96 2dnf s THR 65 Cb -0.11 -2.94 0.38 0.00 1.34 0.00 0.00 72.50 71.18 2dnf s THR 65 CO -0.11 -0.19 2.07 -0.07 -0.54 0.00 0.00 174.62 175.77 2dnf h LEU 66 N -1.25 0.00 0.00 4.79 4.07 -1.91 -1.33 115.31 119.68 2dnf h LEU 66 Ca -0.48 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.48 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 0.62 0.00 -0.19 -0.33 -1.08 0.00 0.00 178.44 177.46 2dnf h GLU 67 N 0.00 0.00 0.00 1.13 4.39 -1.92 -3.47 114.58 114.71 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 0.28 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.93 2dnf h GLU 67 CO 0.00 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 178.26 2dnf n GLY 68 N 1.23 1.09 3.86 -3.84 0.00 -0.50 -5.10 105.19 101.93 2dnf n GLY 68 Ca 0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.53 3.93 -0.12 1.61 2.47 -1.26 -4.84 119.74 120.99 2dnf s LYS 69 Ca 0.00 0.68 -0.03 0.00 -1.56 0.00 0.00 55.97 55.06 2dnf s LYS 69 Cb 0.00 -2.34 -0.03 0.00 -1.46 0.00 0.00 37.83 33.99 2dnf s LYS 69 CO 0.00 -0.01 0.00 -1.17 0.16 0.00 0.00 175.35 174.33 2dnf s LEU 70 N -3.52 3.54 -0.37 5.43 2.96 -1.26 -1.50 118.68 123.95 2dnf s LEU 70 Ca 0.55 0.06 -0.00 0.00 -0.22 0.00 0.00 54.13 54.51 2dnf s LEU 70 Cb -0.10 -1.83 0.10 0.00 0.50 0.00 0.00 46.19 44.85 2dnf s LEU 70 CO 0.25 0.29 0.12 -0.69 -1.32 0.00 0.00 176.35 174.99 2dnf s VAL 71 N -0.33 2.90 -2.02 1.68 1.01 -1.05 -4.92 120.40 117.67 2dnf s VAL 71 Ca 0.07 -2.04 0.27 0.00 0.00 0.00 0.00 61.98 60.28 2dnf s VAL 71 Cb -0.12 -2.97 0.41 0.00 0.00 0.00 0.00 36.38 33.70 2dnf s VAL 71 CO 0.02 -0.56 1.69 -0.62 0.00 0.00 0.00 175.10 175.63 2dnf n GLU 72 N 4.49 1.13 -3.87 2.72 1.02 -1.26 -3.74 120.64 121.12 2dnf n GLU 72 Ca -0.02 -0.62 -0.08 0.00 -0.02 0.00 0.00 57.16 56.42 2dnf n GLU 72 Cb 0.42 -1.49 -0.01 0.00 -0.02 0.00 0.00 31.44 30.34 2dnf n GLU 72 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 2dnf s SER 73 N -2.30 -0.13 -0.04 1.62 0.01 -1.26 -4.92 113.70 106.68 2dnf s SER 73 Ca 0.31 -0.81 0.01 0.00 1.31 0.00 0.00 55.95 56.77 2dnf s SER 73 Cb 0.20 0.74 0.08 0.00 0.21 0.00 0.00 66.02 67.24 2dnf s SER 73 CO 0.44 -1.40 0.91 0.61 0.41 0.00 0.00 173.24 174.22 2dnf n GLY 74 N -0.47 2.02 0.01 3.44 0.00 -1.26 -3.43 105.19 105.51 2dnf n GLY 74 Ca -0.05 -0.11 0.11 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 n ALA 75 N 0.23 3.34 -0.75 4.61 0.00 -1.26 -4.23 120.51 122.45 2dnf n ALA 75 Ca 0.05 -0.54 0.08 0.00 0.00 0.00 0.00 53.44 53.03 2dnf n ALA 75 Cb 0.52 -0.75 0.28 0.00 0.00 0.00 0.00 19.45 19.49 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 -2.05 3.38 -2.06 0.00 1.02 -1.22 -5.00 120.64 114.70 2dnf n GLU 76 Ca -0.02 -2.75 -0.24 0.00 -0.02 0.00 0.00 57.16 54.13 2dnf n GLU 76 Cb 0.50 -1.81 0.15 0.00 -0.02 0.00 0.00 31.44 30.27 2dnf n GLU 76 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2dnf n LEU 77 N 0.18 0.00 -3.62 -4.62 4.77 -1.26 -4.98 117.00 107.47 2dnf n LEU 77 Ca 0.21 -1.63 -0.11 0.00 -0.03 0.00 0.00 56.01 54.45 2dnf n LEU 77 Cb 0.85 -0.78 -0.05 0.00 -2.33 0.00 0.00 43.42 41.11 2dnf n LEU 77 CO 0.18 -1.18 0.18 -0.70 -1.33 0.00 0.00 177.39 174.54 2dnf s GLU 78 N -5.33 1.05 -0.47 3.23 2.56 -1.26 -5.13 118.70 113.35 2dnf s GLU 78 Ca 0.66 -0.60 -0.20 0.00 0.00 0.00 0.00 54.97 54.83 2dnf s GLU 78 Cb -0.03 0.47 0.04 0.00 2.00 0.00 0.00 34.13 36.61 2dnf s GLU 78 CO 0.45 -0.40 0.61 -0.80 -0.56 0.00 0.00 175.26 174.56 2dnf s ASN 79 N -2.61 6.26 0.00 -1.70 -0.87 -1.26 -4.16 114.94 110.60 2dnf s ASN 79 Ca 0.01 -0.65 0.00 0.00 -1.57 0.00 0.00 52.86 50.65 2dnf s ASN 79 Cb 0.01 -2.29 0.00 0.00 -0.02 0.00 0.00 41.25 38.95 2dnf s ASN 79 CO -0.10 -0.81 0.00 0.61 -2.57 0.00 0.00 177.10 174.24 2dnf n GLY 80 N 5.11 0.87 3.58 0.66 0.00 -0.55 -4.98 105.19 109.89 2dnf n GLY 80 Ca -0.05 -0.34 -0.27 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.47 1.91 -0.11 1.61 -1.52 -1.26 -5.02 119.66 112.80 2dnf s GLN 81 Ca 0.00 -2.12 0.01 0.00 -1.95 0.00 0.00 55.36 51.30 2dnf s GLN 81 Cb 0.00 -1.19 -0.02 0.00 -0.22 0.00 0.00 33.01 31.58 2dnf s GLN 81 CO 0.00 -0.24 -0.13 -0.06 -0.25 0.00 0.00 175.29 174.61 2dnf s PHE 82 N -3.02 2.79 0.35 0.91 0.40 -1.26 -1.35 117.98 116.79 2dnf s PHE 82 Ca 0.27 -0.49 0.03 0.00 -0.60 0.00 0.00 56.93 56.14 2dnf s PHE 82 Cb 0.07 -1.79 -0.04 0.00 0.51 0.00 0.00 43.02 41.76 2dnf s PHE 82 CO 0.13 -0.09 0.10 0.71 0.70 0.00 0.00 175.22 176.77 2dnf s TYR 83 N 0.04 1.80 -0.04 0.36 1.51 0.83 -3.96 117.35 117.90 2dnf s TYR 83 Ca -0.04 -1.15 0.03 0.00 -1.01 0.00 0.00 57.07 54.90 2dnf s TYR 83 Cb -0.14 -1.15 0.00 0.00 -0.11 0.00 0.00 41.96 40.56 2dnf s TYR 83 CO 0.04 -0.20 -0.13 0.08 -1.11 0.00 0.00 175.55 174.23 2dnf s VAL 84 N -3.35 1.11 -0.33 0.71 1.01 0.30 -2.09 120.40 117.75 2dnf s VAL 84 Ca 0.31 -0.53 -0.21 0.00 0.00 0.00 0.00 61.98 61.55 2dnf s VAL 84 Cb 0.06 -0.97 -0.00 0.00 0.00 0.00 0.00 36.38 35.47 2dnf s VAL 84 CO 0.15 0.33 0.66 0.00 0.00 0.00 0.00 175.10 176.24 2dnf s ALA 85 N 0.15 3.49 -0.20 5.51 0.00 0.06 0.17 121.76 130.93 2dnf s ALA 85 Ca -0.04 -0.72 -0.01 0.00 0.00 0.00 0.00 51.96 51.19 2dnf s ALA 85 Cb -0.10 -3.17 0.01 0.00 0.00 0.00 0.00 23.12 19.85 2dnf s ALA 85 CO 0.01 -1.24 -0.14 0.08 0.00 0.00 0.00 175.76 174.48 2dnf s VAL 86 N 2.73 2.55 0.00 0.00 1.01 0.71 -2.93 120.40 124.47 2dnf s VAL 86 Ca 0.26 -0.81 0.00 0.00 0.00 0.00 0.00 61.98 61.43 2dnf s VAL 86 Cb -0.14 -2.13 0.00 0.00 0.00 0.00 0.00 36.38 34.10 2dnf s VAL 86 CO 0.14 0.47 0.00 0.61 0.00 0.00 0.00 175.10 176.31 2dnf n GLY 87 N 4.68 0.79 1.25 4.51 0.00 -1.26 -0.34 105.19 114.82 2dnf n GLY 87 Ca -0.20 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.77 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 1.48 -4.52 1.61 1.74 -1.26 -4.56 116.66 111.15 2dnf n ARG 88 Ca 0.00 -0.83 -0.25 0.00 -0.77 0.00 0.00 57.85 56.00 2dnf n ARG 88 Cb 0.00 -1.39 -0.10 0.00 -1.02 0.00 0.00 32.46 29.94 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 0.26 3.61 0.35 0.55 1.11 -1.26 -5.13 116.67 116.17 2dnf s ASP 89 Ca 0.15 -1.16 -0.26 0.00 0.18 0.00 0.00 52.55 51.47 2dnf s ASP 89 Cb 0.13 -0.32 -0.09 0.00 1.07 0.00 0.00 42.92 43.70 2dnf s ASP 89 CO 0.03 -0.16 1.01 -1.59 1.18 0.00 0.00 175.17 175.64 2dnf s LYS 90 N -3.60 4.41 0.00 8.23 -2.85 -1.26 -4.97 119.74 119.70 2dnf s LYS 90 Ca 0.32 1.48 -0.30 0.00 -1.00 0.00 0.00 55.97 56.46 2dnf s LYS 90 Cb 0.01 -2.74 -0.07 0.00 -2.06 0.00 0.00 37.83 32.96 2dnf s LYS 90 CO 0.16 0.09 1.77 0.12 0.10 0.00 0.00 175.35 177.59 2dnf s PHE 91 N -1.57 1.78 -1.19 1.78 5.36 -1.26 -4.92 117.98 117.96 2dnf s PHE 91 Ca 0.53 -0.04 -0.10 0.00 -0.96 0.00 0.00 56.93 56.35 2dnf s PHE 91 Cb -0.22 -4.05 0.21 0.00 -0.34 0.00 0.00 43.02 38.62 2dnf s PHE 91 CO 0.28 -4.52 1.49 1.63 -1.46 0.00 0.00 175.22 172.63 2dnf n LYS 92 N 7.03 3.63 -1.47 10.12 5.02 -1.26 -4.97 118.16 136.26 2dnf n LYS 92 Ca 0.18 -3.99 -0.43 0.00 -2.02 0.00 0.00 58.31 52.04 2dnf n LYS 92 Cb 0.42 -2.84 -0.14 0.00 -0.02 0.00 0.00 35.03 32.45 2dnf n LYS 92 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 2dnf n LYS 93 N 3.97 0.05 -4.11 1.97 3.00 -1.26 -4.61 118.16 117.18 2dnf n LYS 93 Ca 0.33 0.00 -0.11 0.00 -0.00 0.00 0.00 58.31 58.53 2dnf n LYS 93 Cb 0.39 -1.59 -0.11 0.00 0.00 0.00 0.00 35.03 33.73 2dnf n LYS 93 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 2dnf s LEU 94 N 8.75 2.38 -0.47 3.14 1.43 -1.26 -5.10 118.68 127.55 2dnf s LEU 94 Ca 1.32 -0.78 -0.28 0.00 -1.03 0.00 0.00 54.13 53.37 2dnf s LEU 94 Cb -1.24 -0.10 -0.02 0.00 0.03 0.00 0.00 46.19 44.87 2dnf s LEU 94 CO 0.50 -0.34 1.77 -2.16 0.23 0.00 0.00 176.35 176.35 2dnf s PRO 95 N -2.70 3.05 -0.20 1.29 0.04 -1.26 -4.81 135.00 130.40 2dnf s PRO 95 Ca 0.00 0.99 0.15 0.00 0.04 0.00 0.00 61.00 62.18 2dnf s PRO 95 Cb -0.02 -4.26 -0.23 0.00 0.04 0.00 0.00 34.50 30.03 2dnf s PRO 95 CO -0.02 -2.21 0.02 0.66 0.04 0.00 0.00 177.00 175.48 2dnf n TYR 96 N 11.19 0.00 -0.38 0.56 4.01 -1.26 -4.37 117.16 126.92 2dnf n TYR 96 Ca 0.21 0.00 0.38 0.00 -0.16 0.00 0.00 57.90 58.33 2dnf n TYR 96 Cb 0.49 -0.97 0.75 0.00 -0.31 0.00 0.00 39.34 39.30 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 3.57 0.00 1.06 2.72 0.00 -1.97 0.42 103.07 108.87 2dnf h GLY 97 Ca -0.54 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 46.55 2dnf h GLY 97 CO 0.01 0.00 -0.95 1.05 0.00 0.00 0.00 176.54 176.65 2dnf h GLU 98 N 0.00 0.58 0.00 4.80 4.11 -1.85 -3.20 114.58 119.01 2dnf h GLU 98 Ca 0.62 -0.67 -0.00 0.00 0.07 0.00 0.00 59.36 59.37 2dnf h GLU 98 Cb 2.56 0.20 -0.00 0.00 0.50 0.00 0.00 28.75 32.01 2dnf h GLU 98 CO -0.01 1.27 -0.02 -0.07 0.07 0.00 0.00 179.01 180.26 2dnf h LEU 99 N 0.18 0.00 0.82 3.06 3.38 -0.40 -2.93 115.31 119.43 2dnf h LEU 99 Ca -0.13 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.80 2dnf h LEU 99 Cb 1.64 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.40 2dnf h LEU 99 CO 0.19 0.02 -0.40 -0.07 0.09 0.00 0.00 178.44 178.27 2dnf h LEU 100 N 0.00 -0.94 -7.95 1.67 3.38 -1.42 -3.43 115.31 106.63 2dnf h LEU 100 Ca -0.00 0.03 -0.59 0.00 0.09 0.00 0.00 57.88 57.41 2dnf h LEU 100 Cb 0.04 0.24 -0.35 0.00 0.09 0.00 0.00 40.66 40.68 2dnf h LEU 100 CO 0.00 -0.59 -0.83 0.72 0.09 0.00 0.00 178.44 177.83 2dnf s PHE 101 N -5.17 2.05 0.40 1.13 -0.71 -1.10 -4.96 117.98 109.62 2dnf s PHE 101 Ca -0.16 -1.06 -0.23 0.00 -1.04 0.00 0.00 56.93 54.44 2dnf s PHE 101 Cb 0.02 -1.50 -0.13 0.00 -1.21 0.00 0.00 43.02 40.20 2dnf s PHE 101 CO 0.48 -0.57 0.53 -0.40 -1.34 0.00 0.00 175.22 173.93 2dnf n ASP 102 N 4.48 -0.96 -0.82 1.98 5.75 -1.25 -4.74 116.55 120.99 2dnf n ASP 102 Ca -0.18 0.92 0.05 0.00 -0.01 0.00 0.00 54.79 55.57 2dnf n ASP 102 Cb 0.51 -1.09 0.17 0.00 -1.03 0.00 0.00 41.12 39.67 2dnf n ASP 102 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 2dnf n SER 103 N 1.40 1.64 0.00 -1.12 7.64 -1.26 -4.90 113.62 117.01 2dnf n SER 103 Ca 0.12 -3.51 0.00 0.00 1.01 0.00 0.00 58.87 56.48 2dnf n SER 103 Cb 0.39 -0.48 0.00 0.00 -1.01 0.00 0.00 64.21 63.11 2dnf n SER 103 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dnf n GLY 104 N -0.78 0.13 3.63 0.23 0.00 -1.26 -4.65 105.19 102.48 2dnf n GLY 104 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.31 -0.55 -0.97 1.61 0.04 -1.26 -3.67 135.00 129.89 2dnf s PRO 105 Ca 0.00 0.18 -0.12 0.00 0.04 0.00 0.00 61.00 61.10 2dnf s PRO 105 Cb 0.00 -1.65 0.12 0.00 0.04 0.00 0.00 34.50 33.01 2dnf s PRO 105 CO 0.00 -3.31 0.31 -1.13 0.04 0.00 0.00 177.00 172.90 2dnf n SER 106 N -4.52 -1.39 -2.29 6.66 3.41 -1.26 -4.77 113.62 109.46 2dnf n SER 106 Ca 0.09 -0.41 -0.27 0.00 -0.26 0.00 0.00 58.87 58.02 2dnf n SER 106 Cb 0.59 -1.27 0.02 0.00 -0.26 0.00 0.00 64.21 63.28 2dnf n SER 106 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2dnf n SER 107 N -1.93 5.35 -0.47 4.04 2.88 -1.24 -5.13 113.62 117.12 2dnf n SER 107 Ca 0.06 -3.75 0.14 0.00 -1.33 0.00 0.00 58.87 53.99 2dnf n SER 107 Cb 0.46 -0.51 0.54 0.00 -0.75 0.00 0.00 64.21 63.95 2dnf n SER 107 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42