#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 5.65 -0.19 1.61 0.15 -1.26 -4.70 113.70 114.96 2dnf s SER 2 Ca 0.00 -0.82 -0.14 0.00 0.70 0.00 0.00 55.95 55.69 2dnf s SER 2 Cb 0.00 -2.56 -0.08 0.00 -1.71 0.00 0.00 66.02 61.67 2dnf s SER 2 CO 0.00 -2.27 -0.31 -1.20 1.20 0.00 0.00 173.24 170.66 2dnf n SER 3 N 11.98 1.80 0.00 5.45 7.64 -1.26 -5.07 113.62 134.16 2dnf n SER 3 Ca 0.34 0.31 0.00 0.00 1.01 0.00 0.00 58.87 60.53 2dnf n SER 3 Cb 0.49 -0.71 0.00 0.00 -1.01 0.00 0.00 64.21 62.98 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 1.59 -0.74 3.35 0.23 0.00 -1.26 -5.19 105.19 103.17 2dnf n GLY 4 Ca -0.28 0.28 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.34 -0.01 1.61 1.04 -1.26 -5.17 113.70 109.57 2dnf s SER 5 Ca 0.00 -0.07 0.00 0.00 0.48 0.00 0.00 55.95 56.36 2dnf s SER 5 Cb 0.00 0.48 0.01 0.00 0.10 0.00 0.00 66.02 66.61 2dnf s SER 5 CO 0.00 -0.78 -0.00 -0.55 0.98 0.00 0.00 173.24 172.88 2dnf s SER 6 N -2.38 0.21 0.00 7.02 0.15 -1.26 -5.09 113.70 112.34 2dnf s SER 6 Ca -0.01 -0.01 0.00 0.00 0.70 0.00 0.00 55.95 56.62 2dnf s SER 6 Cb 0.00 -0.08 0.00 0.00 -1.71 0.00 0.00 66.02 64.23 2dnf s SER 6 CO -0.07 -0.04 0.00 0.61 1.20 0.00 0.00 173.24 174.94 2dnf n GLY 7 N 3.56 0.74 1.86 9.45 0.00 -1.26 -4.90 105.19 114.63 2dnf n GLY 7 Ca -0.19 -0.03 -0.11 0.00 0.00 0.00 0.00 46.02 45.69 2dnf n GLY 7 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2dnf n ARG 8 N 0.00 1.64 -3.35 1.61 1.85 -1.26 -4.90 116.66 112.25 2dnf n ARG 8 Ca 0.00 -0.96 -0.38 0.00 -1.00 0.00 0.00 57.85 55.51 2dnf n ARG 8 Cb 0.00 -1.55 -0.06 0.00 -1.05 0.00 0.00 32.46 29.80 2dnf n ARG 8 CO 0.00 0.00 0.00 0.21 -0.01 0.00 0.00 177.63 177.83 2dnf s LYS 9 N -0.46 4.25 0.78 2.89 2.20 -1.26 -5.07 119.74 123.07 2dnf s LYS 9 Ca 0.32 0.46 -0.11 0.00 -0.36 0.00 0.00 55.97 56.29 2dnf s LYS 9 Cb 0.19 -3.38 0.06 0.00 -1.51 0.00 0.00 37.83 33.19 2dnf s LYS 9 CO -0.03 0.30 1.09 -1.25 -0.36 0.00 0.00 175.35 175.09 2dnf s PRO 10 N 0.17 2.20 0.21 4.03 0.04 -1.26 -4.91 135.00 135.47 2dnf s PRO 10 Ca 0.26 1.15 -0.14 0.00 0.04 0.00 0.00 61.00 62.30 2dnf s PRO 10 Cb -0.16 -1.89 0.23 0.00 0.04 0.00 0.00 34.50 32.72 2dnf s PRO 10 CO 0.11 -1.68 1.36 1.47 0.04 0.00 0.00 177.00 178.31 2dnf n LEU 11 N -3.54 -0.54 -3.88 -3.56 -0.00 -1.26 -4.80 117.00 99.42 2dnf n LEU 11 Ca 0.09 1.53 -0.28 0.00 -0.00 0.00 0.00 56.01 57.35 2dnf n LEU 11 Cb 0.53 -0.36 0.00 0.00 -0.00 0.00 0.00 43.42 43.59 2dnf n LEU 11 CO 0.54 -1.39 -0.18 1.67 -0.00 0.00 0.00 177.39 178.03 2dnf n GLN 12 N -5.31 -2.63 -4.34 1.47 -0.06 -1.26 -4.98 117.38 100.27 2dnf n GLN 12 Ca 0.10 0.41 -0.21 0.00 -2.00 0.00 0.00 57.00 55.29 2dnf n GLN 12 Cb 0.36 -4.34 -0.11 0.00 -4.06 0.00 0.00 30.24 22.09 2dnf n GLN 12 CO 0.00 0.00 0.00 -1.21 -0.20 0.00 0.00 177.06 175.65 2dnf s GLU 13 N -6.42 1.31 0.38 3.69 0.41 -1.26 -4.90 118.70 111.91 2dnf s GLU 13 Ca 0.15 -1.47 -0.26 0.00 -0.41 0.00 0.00 54.97 52.98 2dnf s GLU 13 Cb -0.06 -1.32 -0.09 0.00 -1.78 0.00 0.00 34.13 30.88 2dnf s GLU 13 CO 0.88 0.26 1.20 -1.25 -0.49 0.00 0.00 175.26 175.86 2dnf s PRO 14 N -3.02 4.16 0.05 0.39 0.04 -1.26 -4.42 135.00 130.94 2dnf s PRO 14 Ca 0.18 1.93 0.07 0.00 0.04 0.00 0.00 61.00 63.23 2dnf s PRO 14 Cb -0.05 -2.81 -0.03 0.00 0.04 0.00 0.00 34.50 31.65 2dnf s PRO 14 CO 0.07 -0.25 -0.19 0.00 0.04 0.00 0.00 177.00 176.67 2dnf s THR 16 N -0.93 4.37 0.21 0.00 2.01 -1.26 -0.77 115.64 119.26 2dnf s THR 16 Ca 0.15 -0.70 0.11 0.00 0.31 0.00 0.00 61.69 61.56 2dnf s THR 16 Cb -0.10 -3.33 -0.05 0.00 0.01 0.00 0.00 72.50 69.03 2dnf s THR 16 CO 0.05 -0.06 -0.22 0.27 -0.69 0.00 0.00 174.62 173.97 2dnf s ILE 17 N 1.55 2.30 0.09 1.82 -4.36 -0.84 -0.92 121.20 120.83 2dnf s ILE 17 Ca 0.03 -2.10 0.01 0.00 -0.26 0.00 0.00 60.65 58.33 2dnf s ILE 17 Cb -0.18 -2.12 -0.04 0.00 1.25 0.00 0.00 42.46 41.37 2dnf s ILE 17 CO 0.05 -0.21 0.23 -0.36 0.24 0.00 0.00 174.94 174.89 2dnf s PHE 18 N -1.92 3.48 0.15 1.37 0.40 0.61 -0.16 117.98 121.92 2dnf s PHE 18 Ca 0.22 0.19 0.09 0.00 -0.60 0.00 0.00 56.93 56.83 2dnf s PHE 18 Cb -0.07 -1.71 -0.04 0.00 0.51 0.00 0.00 43.02 41.71 2dnf s PHE 18 CO 0.10 0.56 -0.20 -0.51 0.70 0.00 0.00 175.22 175.87 2dnf s LEU 19 N -2.77 2.40 -0.12 -0.37 2.01 0.30 -1.20 118.68 118.94 2dnf s LEU 19 Ca 0.34 -0.82 -0.07 0.00 0.01 0.00 0.00 54.13 53.60 2dnf s LEU 19 Cb -0.12 -0.91 0.05 0.00 0.01 0.00 0.00 46.19 45.22 2dnf s LEU 19 CO 0.28 0.02 0.28 -0.63 1.01 0.00 0.00 176.35 177.31 2dnf s ILE 20 N -1.76 -0.03 0.19 -0.59 1.01 -0.83 0.12 121.20 119.31 2dnf s ILE 20 Ca 0.14 0.11 -0.32 0.00 0.00 0.00 0.00 60.65 60.58 2dnf s ILE 20 Cb -0.07 -0.43 -0.12 0.00 0.01 0.00 0.00 42.46 41.85 2dnf s ILE 20 CO 0.07 0.05 1.72 0.00 0.00 0.00 0.00 174.94 176.77 2dnf n ALA 21 N 4.01 2.59 -1.64 9.38 0.00 -1.26 -0.36 120.51 133.23 2dnf n ALA 21 Ca -0.23 0.40 -0.43 0.00 0.00 0.00 0.00 53.44 53.18 2dnf n ALA 21 Cb 0.54 -2.51 -0.03 0.00 0.00 0.00 0.00 19.45 17.45 2dnf n ALA 21 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2dnf n ASN 22 N 4.11 3.78 0.00 0.00 6.94 -0.99 -1.56 115.26 127.54 2dnf n ASN 22 Ca 0.16 0.63 0.00 0.00 -0.02 0.00 0.00 54.58 55.35 2dnf n ASN 22 Cb 0.34 -1.53 0.00 0.00 -2.36 0.00 0.00 39.78 36.23 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 5.04 0.82 3.05 4.83 0.00 -1.26 -4.81 105.19 112.85 2dnf n GLY 23 Ca 0.24 -0.65 -0.32 0.00 0.00 0.00 0.00 46.02 45.30 2dnf n GLY 23 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2dnf s ASP 24 N -2.72 4.30 0.00 1.61 1.11 -0.60 -4.94 116.67 115.43 2dnf s ASP 24 Ca 0.00 -1.33 0.11 0.00 0.18 0.00 0.00 52.55 51.51 2dnf s ASP 24 Cb 0.00 -1.48 0.06 0.00 1.07 0.00 0.00 42.92 42.57 2dnf s ASP 24 CO 0.00 -0.19 0.78 0.18 1.18 0.00 0.00 175.17 177.12 2dnf n LEU 25 N 4.48 1.68 -0.09 1.23 4.77 -1.26 -4.51 117.00 123.31 2dnf n LEU 25 Ca -0.14 -0.91 -0.11 0.00 -0.03 0.00 0.00 56.01 54.81 2dnf n LEU 25 Cb 0.43 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.37 2dnf n LEU 25 CO 0.21 0.32 -1.07 -0.38 -1.33 0.00 0.00 177.39 175.14 2dnf n ILE 26 N 0.31 1.46 -3.81 -0.08 -0.00 -1.26 -4.93 119.36 111.05 2dnf n ILE 26 Ca 0.06 -0.80 -0.37 0.00 -0.00 0.00 0.00 62.75 61.65 2dnf n ILE 26 Cb 0.26 -0.76 -0.07 0.00 -0.00 0.00 0.00 39.64 39.08 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 -5.81 6.37 1.02 4.38 0.01 -1.26 -5.10 114.94 114.55 2dnf s ASN 27 Ca -0.13 0.44 -0.02 0.00 -0.71 0.00 0.00 52.86 52.44 2dnf s ASN 27 Cb 0.07 -2.09 0.03 0.00 0.41 0.00 0.00 41.25 39.66 2dnf s ASN 27 CO 0.79 0.34 0.09 -0.81 -1.51 0.00 0.00 177.10 176.00 2dnf n PRO 28 N 2.41 -1.20 -2.45 -0.60 -0.04 -1.26 -4.89 135.00 126.97 2dnf n PRO 28 Ca -0.18 -0.14 -0.25 0.00 -0.04 0.00 0.00 63.50 62.88 2dnf n PRO 28 Cb 0.54 -0.13 0.14 0.00 -0.04 0.00 0.00 33.50 34.01 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 3.36 -0.11 0.55 0.00 -1.26 -4.75 121.76 116.56 2dnf s ALA 29 Ca 0.06 -1.75 -0.02 0.00 0.00 0.00 0.00 51.96 50.25 2dnf s ALA 29 Cb -0.01 -2.13 0.04 0.00 0.00 0.00 0.00 23.12 21.03 2dnf s ALA 29 CO 0.04 -1.84 0.03 -1.12 0.00 0.00 0.00 175.76 172.87 2dnf s SER 30 N -4.85 2.00 -0.33 0.00 0.01 0.12 -4.86 113.70 105.80 2dnf s SER 30 Ca 0.70 -0.34 -0.29 0.00 1.31 0.00 0.00 55.95 57.34 2dnf s SER 30 Cb -0.04 -0.43 -0.00 0.00 0.21 0.00 0.00 66.02 65.76 2dnf s SER 30 CO 0.47 -0.25 1.46 -0.60 0.41 0.00 0.00 173.24 174.73 2dnf s ARG 31 N 1.98 3.71 -0.08 12.44 3.52 -1.26 -0.54 118.95 138.72 2dnf s ARG 31 Ca 0.03 1.24 0.00 0.00 -0.13 0.00 0.00 55.73 56.87 2dnf s ARG 31 Cb -0.14 -4.00 0.02 0.00 -1.56 0.00 0.00 34.95 29.28 2dnf s ARG 31 CO -0.06 -1.39 -0.06 -1.17 -0.81 0.00 0.00 175.30 171.80 2dnf s LEU 32 N 5.18 1.19 0.24 -0.88 2.96 0.77 -4.99 118.68 123.15 2dnf s LEU 32 Ca 0.64 -0.21 -0.18 0.00 -0.22 0.00 0.00 54.13 54.16 2dnf s LEU 32 Cb -0.18 -0.65 -0.08 0.00 0.50 0.00 0.00 46.19 45.78 2dnf s LEU 32 CO 0.29 -0.09 0.71 -0.22 -1.32 0.00 0.00 176.35 175.72 2dnf s LEU 33 N 1.35 4.28 -0.12 -0.68 2.96 -1.26 -1.99 118.68 123.21 2dnf s LEU 33 Ca -0.03 1.35 0.00 0.00 -0.22 0.00 0.00 54.13 55.23 2dnf s LEU 33 Cb -0.14 -3.66 0.02 0.00 0.50 0.00 0.00 46.19 42.91 2dnf s LEU 33 CO -0.03 -0.01 -0.10 -0.63 -1.32 0.00 0.00 176.35 174.25 2dnf s ILE 34 N -1.62 1.21 0.23 6.68 1.01 0.05 -4.97 121.20 123.79 2dnf s ILE 34 Ca 0.45 -0.42 -0.30 0.00 0.00 0.00 0.00 60.65 60.39 2dnf s ILE 34 Cb -0.15 -1.18 -0.09 0.00 0.01 0.00 0.00 42.46 41.05 2dnf s ILE 34 CO 0.20 0.40 1.28 -2.16 0.00 0.00 0.00 174.94 174.66 2dnf s PRO 35 N 1.52 4.42 0.35 2.79 0.04 -1.26 -2.51 135.00 140.35 2dnf s PRO 35 Ca 0.03 2.05 0.18 0.00 0.04 0.00 0.00 61.00 63.30 2dnf s PRO 35 Cb -0.13 -3.17 1.24 0.00 0.04 0.00 0.00 34.50 32.48 2dnf s PRO 35 CO -0.08 -0.18 1.53 -2.13 0.04 0.00 0.00 177.00 176.19 2dnf n ARG 36 N 2.08 -0.06 -0.28 4.56 3.00 -1.26 0.16 116.66 124.86 2dnf n ARG 36 Ca 0.04 1.35 0.04 0.00 -0.00 0.00 0.00 57.85 59.28 2dnf n ARG 36 Cb 0.43 -2.40 0.17 0.00 0.00 0.00 0.00 32.46 30.67 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 0.65 -0.03 -0.14 3.11 -1.96 -2.30 116.57 115.90 2dnf h LYS 37 Ca 0.80 -0.04 -0.16 0.00 -2.81 0.00 0.00 60.65 58.44 2dnf h LYS 37 Cb 2.07 -0.15 0.01 0.00 -1.00 0.00 0.00 32.23 33.16 2dnf h LYS 37 CO -0.77 0.43 -0.60 1.15 -2.81 0.00 0.00 179.45 176.85 2dnf h THR 38 N 0.67 1.40 -1.30 1.00 2.02 0.11 -3.22 112.91 113.60 2dnf h THR 38 Ca 0.40 -2.02 0.38 0.00 0.77 0.00 0.00 66.41 65.94 2dnf h THR 38 Cb 0.46 2.46 -0.08 0.00 -1.74 0.00 0.00 68.15 69.25 2dnf h THR 38 CO -0.29 0.59 0.89 -0.07 0.37 0.00 0.00 175.52 177.01 2dnf h LEU 39 N -0.00 0.18 -0.59 2.58 3.38 -0.71 0.72 115.31 120.86 2dnf h LEU 39 Ca -0.07 0.06 -0.10 0.00 0.09 0.00 0.00 57.88 57.86 2dnf h LEU 39 Cb 1.29 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 42.06 2dnf h LEU 39 CO 0.12 -0.02 -0.01 0.78 0.09 0.00 0.00 178.44 179.40 2dnf h ASN 40 N 0.12 1.03 -3.61 -0.43 2.35 -1.48 -3.41 115.58 110.16 2dnf h ASN 40 Ca 0.69 -0.31 -0.64 0.00 -0.55 0.00 0.00 56.30 55.49 2dnf h ASN 40 Cb 2.37 -0.28 -0.14 0.00 0.05 0.00 0.00 38.32 40.31 2dnf h ASN 40 CO -0.19 1.09 -0.04 -1.10 -1.65 0.00 0.00 177.43 175.55 2dnf s GLN 41 N -5.01 3.75 0.22 0.81 -1.52 0.25 -4.94 119.66 113.22 2dnf s GLN 41 Ca -0.12 -0.03 -0.01 0.00 -1.95 0.00 0.00 55.36 53.25 2dnf s GLN 41 Cb 0.13 -3.77 0.21 0.00 -0.22 0.00 0.00 33.01 29.37 2dnf s GLN 41 CO 0.86 -0.57 1.57 2.35 -0.25 0.00 0.00 175.29 179.25 2dnf h TRP 42 N 8.35 0.62 -0.43 0.91 -0.00 -1.79 -3.02 115.95 120.59 2dnf h TRP 42 Ca -0.28 -0.19 -0.09 0.00 -0.00 0.00 0.00 58.89 58.32 2dnf h TRP 42 Cb 1.13 -0.13 -0.01 0.00 -0.00 0.00 0.00 29.16 30.15 2dnf h TRP 42 CO 0.73 0.88 -0.09 -0.44 -0.00 0.00 0.00 178.44 179.52 2dnf h ASP 43 N 0.41 0.82 -0.71 2.65 3.32 -1.92 -2.77 116.42 118.22 2dnf h ASP 43 Ca 0.03 -0.36 0.04 0.00 0.02 0.00 0.00 57.03 56.76 2dnf h ASP 43 Cb 0.96 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 40.25 2dnf h ASP 43 CO 0.09 0.98 0.47 0.45 -1.72 0.00 0.00 179.24 179.50 2dnf h HIS 44 N 0.64 0.81 -0.53 4.55 3.86 -1.85 -1.80 115.15 120.82 2dnf h HIS 44 Ca 0.11 0.02 -0.12 0.00 -1.16 0.00 0.00 60.37 59.22 2dnf h HIS 44 Cb 0.62 -0.27 -0.02 0.00 1.06 0.00 0.00 27.41 28.80 2dnf h HIS 44 CO 0.05 0.47 -0.13 0.28 0.86 0.00 0.00 177.93 179.45 2dnf h VAL 45 N 0.84 1.27 0.00 2.45 2.07 -1.39 -2.54 116.25 118.95 2dnf h VAL 45 Ca 0.29 -1.29 -0.04 0.00 0.82 0.00 0.00 66.70 66.47 2dnf h VAL 45 Cb 0.09 1.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.85 2dnf h VAL 45 CO -0.08 0.46 -0.20 -0.07 0.02 0.00 0.00 177.57 177.70 2dnf h LEU 46 N 0.90 0.00 0.00 2.57 3.38 -1.09 0.26 115.31 121.34 2dnf h LEU 46 Ca 0.13 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.05 2dnf h LEU 46 Cb 0.70 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.45 2dnf h LEU 46 CO 0.05 0.20 -0.31 -0.61 0.09 0.00 0.00 178.44 177.86 2dnf h GLN 47 N 0.00 0.00 0.06 1.13 5.75 -1.03 -3.29 115.11 117.72 2dnf h GLN 47 Ca -0.00 0.00 -0.38 0.00 -0.15 0.00 0.00 58.65 58.12 2dnf h GLN 47 Cb 0.55 0.00 -0.05 0.00 1.07 0.00 0.00 27.48 29.05 2dnf h GLN 47 CO 0.03 0.24 -2.25 -1.33 -2.65 0.00 0.00 178.83 172.86 2dnf n MET 48 N -3.13 0.70 0.05 1.69 2.81 -0.87 -4.22 117.12 114.14 2dnf n MET 48 Ca 0.03 0.20 0.21 0.00 -1.81 0.00 0.00 57.70 56.33 2dnf n MET 48 Cb 0.63 -1.61 0.74 0.00 -0.71 0.00 0.00 33.22 32.27 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 0.02 0.48 -0.07 2.03 3.04 -0.61 -0.90 116.25 120.23 2dnf h VAL 49 Ca -0.51 0.00 -0.05 0.00 -1.01 0.00 0.00 66.70 65.13 2dnf h VAL 49 Cb 1.95 0.67 0.00 0.00 -2.01 0.00 0.00 31.29 31.91 2dnf h VAL 49 CO -0.01 0.00 -0.16 0.74 -1.01 0.00 0.00 177.57 177.13 2dnf h THR 50 N 0.00 1.41 -1.36 3.17 2.02 -1.73 -0.47 112.91 115.95 2dnf h THR 50 Ca 0.22 -1.47 0.41 0.00 0.77 0.00 0.00 66.41 66.34 2dnf h THR 50 Cb 1.09 2.20 -0.10 0.00 -1.74 0.00 0.00 68.15 69.60 2dnf h THR 50 CO -0.00 0.41 0.92 -0.33 0.37 0.00 0.00 175.52 176.89 2dnf h GLU 51 N -0.25 0.11 0.05 6.66 5.08 -1.33 -0.19 114.58 124.70 2dnf h GLU 51 Ca 0.00 -0.01 -0.33 0.00 -1.00 0.00 0.00 59.36 58.02 2dnf h GLU 51 Cb 0.75 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.94 2dnf h GLU 51 CO 0.03 0.07 -1.84 1.63 -1.00 0.00 0.00 179.01 177.91 2dnf n LYS 52 N -4.44 0.65 -3.86 2.33 4.76 -1.19 -4.78 118.16 111.63 2dnf n LYS 52 Ca 0.34 0.37 -0.34 0.00 -2.87 0.00 0.00 58.31 55.81 2dnf n LYS 52 Cb 1.40 -1.68 -0.13 0.00 -1.84 0.00 0.00 35.03 32.79 2dnf n LYS 52 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 2dnf s ILE 53 N -2.47 2.96 -0.61 -0.18 -1.09 -0.10 -5.02 121.20 114.67 2dnf s ILE 53 Ca -0.28 -2.37 -0.20 0.00 -2.23 0.00 0.00 60.65 55.57 2dnf s ILE 53 Cb 0.08 -3.06 0.10 0.00 -1.58 0.00 0.00 42.46 38.00 2dnf s ILE 53 CO 0.64 -0.69 0.76 -0.89 -1.23 0.00 0.00 174.94 173.53 2dnf s THR 54 N 0.79 4.73 0.31 2.92 2.01 -1.08 -4.19 115.64 121.13 2dnf s THR 54 Ca 0.11 -0.90 -0.29 0.00 0.31 0.00 0.00 61.69 60.92 2dnf s THR 54 Cb -0.22 -4.53 -0.10 0.00 0.01 0.00 0.00 72.50 67.66 2dnf s THR 54 CO -0.05 -1.20 1.32 -0.76 -0.69 0.00 0.00 174.62 173.25 2dnf s LEU 55 N 2.93 4.42 0.47 4.42 1.43 -0.67 -4.89 118.68 126.78 2dnf s LEU 55 Ca 0.14 2.66 0.21 0.00 -1.03 0.00 0.00 54.13 56.10 2dnf s LEU 55 Cb -0.22 -3.64 1.21 0.00 0.03 0.00 0.00 46.19 43.57 2dnf s LEU 55 CO 0.07 -0.55 1.91 0.08 0.23 0.00 0.00 176.35 178.09 2dnf h ARG 56 N 3.80 0.24 0.00 1.70 0.11 -1.97 0.60 114.38 118.85 2dnf h ARG 56 Ca -0.48 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 59.58 2dnf h ARG 56 Cb 1.22 -0.05 0.00 0.00 1.11 0.00 0.00 29.97 32.25 2dnf h ARG 56 CO 0.68 0.16 0.00 0.77 0.10 0.00 0.00 179.97 181.68 2dnf h SER 57 N 0.25 0.00 0.00 0.08 0.02 -2.02 -3.49 113.55 108.38 2dnf h SER 57 Ca 0.38 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.33 2dnf h SER 57 Cb 1.13 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.67 2dnf h SER 57 CO -0.09 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.21 2dnf n GLY 58 N 0.74 0.46 3.94 -3.77 0.00 0.21 -4.93 105.19 101.83 2dnf n GLY 58 Ca 0.03 -1.31 -0.28 0.00 0.00 0.00 0.00 46.02 44.46 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 2.68 0.07 4.61 0.00 -1.26 -1.67 121.76 125.18 2dnf s ALA 59 Ca 0.00 -1.19 -0.19 0.00 0.00 0.00 0.00 51.96 50.58 2dnf s ALA 59 Cb 0.00 -2.64 -0.07 0.00 0.00 0.00 0.00 23.12 20.42 2dnf s ALA 59 CO 0.00 -2.01 0.55 0.08 0.00 0.00 0.00 175.76 174.38 2dnf s VAL 60 N -3.63 4.77 -0.02 0.00 1.01 -1.26 -4.32 120.40 116.95 2dnf s VAL 60 Ca 0.69 1.18 0.01 0.00 0.00 0.00 0.00 61.98 63.87 2dnf s VAL 60 Cb -0.06 -3.88 -0.02 0.00 0.00 0.00 0.00 36.38 32.42 2dnf s VAL 60 CO 0.50 0.56 0.00 1.41 0.00 0.00 0.00 175.10 177.57 2dnf n HIS 61 N 1.73 0.00 -4.21 5.22 8.25 -0.84 -4.74 115.22 120.63 2dnf n HIS 61 Ca -0.11 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.23 2dnf n HIS 61 Cb 0.51 -0.09 -0.10 0.00 1.12 0.00 0.00 29.99 31.43 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 -2.05 1.12 0.09 -0.41 1.70 -0.38 -5.02 118.95 114.00 2dnf s ARG 62 Ca -0.01 -1.56 0.09 0.00 -0.47 0.00 0.00 55.73 53.77 2dnf s ARG 62 Cb 0.01 0.09 -0.03 0.00 -0.57 0.00 0.00 34.95 34.44 2dnf s ARG 62 CO 0.07 -0.28 -0.24 -0.51 -1.08 0.00 0.00 175.30 173.26 2dnf s LEU 63 N -3.14 2.25 -0.03 -1.89 2.01 -1.26 -0.91 118.68 115.70 2dnf s LEU 63 Ca 0.31 -0.65 -0.01 0.00 0.01 0.00 0.00 54.13 53.79 2dnf s LEU 63 Cb 0.07 -1.10 0.03 0.00 0.01 0.00 0.00 46.19 45.20 2dnf s LEU 63 CO 0.07 0.16 0.07 -0.31 1.01 0.00 0.00 176.35 177.35 2dnf s TYR 64 N -0.97 -0.04 0.84 0.29 1.51 0.83 -2.97 117.35 116.82 2dnf s TYR 64 Ca 0.10 0.22 -0.12 0.00 -1.01 0.00 0.00 57.07 56.26 2dnf s TYR 64 Cb -0.10 -0.13 0.09 0.00 -0.11 0.00 0.00 41.96 41.72 2dnf s TYR 64 CO 0.04 -0.09 1.13 0.95 -1.11 0.00 0.00 175.55 176.47 2dnf s THR 65 N 0.81 2.42 0.56 -0.71 -4.23 -0.67 0.24 115.64 114.05 2dnf s THR 65 Ca -0.07 0.13 0.24 0.00 -1.18 0.00 0.00 61.69 60.82 2dnf s THR 65 Cb -0.09 -2.98 0.32 0.00 1.34 0.00 0.00 72.50 71.09 2dnf s THR 65 CO -0.03 -0.18 2.21 -0.07 -0.54 0.00 0.00 174.62 176.02 2dnf h LEU 66 N -1.19 0.00 -0.06 4.79 3.38 -1.92 -1.00 115.31 119.30 2dnf h LEU 66 Ca -0.48 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.28 2dnf h LEU 66 Cb 1.31 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.03 2dnf h LEU 66 CO 0.63 0.00 -0.99 1.05 0.09 0.00 0.00 178.44 179.22 2dnf h GLU 67 N 0.00 0.03 0.00 1.13 4.11 -1.91 -3.42 114.58 114.52 2dnf h GLU 67 Ca 0.00 -0.05 0.00 0.00 0.07 0.00 0.00 59.36 59.38 2dnf h GLU 67 Cb 0.01 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.28 2dnf h GLU 67 CO -0.00 0.99 0.00 0.41 0.07 0.00 0.00 179.01 180.48 2dnf n GLY 68 N 1.26 1.99 3.91 1.06 0.00 -0.38 -5.04 105.19 107.99 2dnf n GLY 68 Ca -0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 2dnf n GLY 68 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2dnf s LYS 69 N -0.28 3.57 -0.20 1.61 2.36 -1.26 -4.84 119.74 120.70 2dnf s LYS 69 Ca 0.00 -0.19 -0.10 0.00 -2.55 0.00 0.00 55.97 53.12 2dnf s LYS 69 Cb 0.00 -2.88 -0.05 0.00 -1.05 0.00 0.00 37.83 33.85 2dnf s LYS 69 CO 0.00 0.48 0.15 -1.17 1.55 0.00 0.00 175.35 176.36 2dnf s LEU 70 N -2.75 4.21 -1.00 5.43 2.96 -1.26 -1.68 118.68 124.59 2dnf s LEU 70 Ca 0.40 0.26 -0.07 0.00 -0.22 0.00 0.00 54.13 54.50 2dnf s LEU 70 Cb -0.12 -2.12 0.25 0.00 0.50 0.00 0.00 46.19 44.70 2dnf s LEU 70 CO 0.26 0.17 0.95 -0.69 -1.32 0.00 0.00 176.35 175.72 2dnf s VAL 71 N 0.40 5.32 0.54 1.68 1.01 -1.16 -4.88 120.40 123.31 2dnf s VAL 71 Ca 0.09 -3.51 0.32 0.00 0.00 0.00 0.00 61.98 58.88 2dnf s VAL 71 Cb -0.11 -4.24 0.48 0.00 0.00 0.00 0.00 36.38 32.51 2dnf s VAL 71 CO -0.01 -1.13 1.88 -0.33 0.00 0.00 0.00 175.10 175.51 2dnf h GLU 72 N 6.52 0.00 -3.03 2.72 5.08 -1.96 -3.41 114.58 120.50 2dnf h GLU 72 Ca 0.16 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.37 2dnf h GLU 72 Cb 0.87 0.00 -0.24 0.00 0.50 0.00 0.00 28.75 29.87 2dnf h GLU 72 CO 0.93 0.00 -0.36 0.45 -1.00 0.00 0.00 179.01 179.03 2dnf s SER 73 N -5.56 -0.29 0.65 1.42 0.15 -1.26 -5.01 113.70 103.80 2dnf s SER 73 Ca -0.05 0.51 0.11 0.00 0.70 0.00 0.00 55.95 57.23 2dnf s SER 73 Cb 0.21 0.56 0.51 0.00 -1.71 0.00 0.00 66.02 65.60 2dnf s SER 73 CO 0.76 -0.16 1.25 1.23 1.20 0.00 0.00 173.24 177.52 2dnf h GLY 74 N 5.40 0.00 -0.88 9.45 0.00 -1.83 -0.02 103.07 115.20 2dnf h GLY 74 Ca -0.27 0.00 0.41 0.00 0.00 0.00 0.00 47.33 47.47 2dnf h GLY 74 CO 0.33 0.00 1.04 0.00 0.00 0.00 0.00 176.54 177.92 2dnf h ALA 75 N 0.39 3.32 0.00 3.60 0.00 -1.94 1.43 119.26 126.06 2dnf h ALA 75 Ca 0.10 -0.05 -0.22 0.00 0.00 0.00 0.00 54.91 54.75 2dnf h ALA 75 Cb 1.91 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 19.78 2dnf h ALA 75 CO -0.00 -1.77 -1.06 0.93 0.00 0.00 0.00 179.25 177.35 2dnf h GLU 76 N 0.00 0.00 -6.68 0.00 5.08 -1.37 -3.46 114.58 108.15 2dnf h GLU 76 Ca 0.67 0.00 -0.50 0.00 -1.00 0.00 0.00 59.36 58.53 2dnf h GLU 76 Cb 2.75 0.00 0.23 0.00 0.50 0.00 0.00 28.75 32.23 2dnf h GLU 76 CO -0.01 0.93 -0.93 1.28 -1.00 0.00 0.00 179.01 179.28 2dnf n LEU 77 N -3.31 -1.53 -4.09 1.33 4.77 0.49 -5.03 117.00 109.63 2dnf n LEU 77 Ca -0.02 0.10 -0.10 0.00 -0.03 0.00 0.00 56.01 55.96 2dnf n LEU 77 Cb 0.95 -1.05 -0.11 0.00 -2.33 0.00 0.00 43.42 40.88 2dnf n LEU 77 CO 0.47 -3.45 -0.38 -0.70 -1.33 0.00 0.00 177.39 172.00 2dnf s GLU 78 N -3.43 0.60 -0.43 3.23 2.12 -1.26 -5.07 118.70 114.45 2dnf s GLU 78 Ca 0.55 -1.02 -0.29 0.00 0.36 0.00 0.00 54.97 54.58 2dnf s GLU 78 Cb -0.16 -0.07 0.01 0.00 0.26 0.00 0.00 34.13 34.18 2dnf s GLU 78 CO 0.67 -0.03 1.35 0.54 -0.54 0.00 0.00 175.26 177.25 2dnf s ASN 79 N -2.32 6.40 0.00 -1.70 4.22 -1.26 -3.38 114.94 116.90 2dnf s ASN 79 Ca -0.00 0.73 0.00 0.00 -2.14 0.00 0.00 52.86 51.45 2dnf s ASN 79 Cb -0.01 -2.54 0.00 0.00 1.28 0.00 0.00 41.25 39.98 2dnf s ASN 79 CO -0.04 -1.39 0.00 0.61 -2.04 0.00 0.00 177.10 174.24 2dnf n GLY 80 N 5.03 0.77 3.40 0.45 0.00 -0.10 -4.95 105.19 109.79 2dnf n GLY 80 Ca 0.15 -0.46 -0.20 0.00 0.00 0.00 0.00 46.02 45.51 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 -3.45 1.51 -0.08 1.61 -1.52 -1.22 -4.97 119.66 111.55 2dnf s GLN 81 Ca 0.00 -1.79 -0.03 0.00 -1.95 0.00 0.00 55.36 51.59 2dnf s GLN 81 Cb 0.00 -0.90 -0.04 0.00 -0.22 0.00 0.00 33.01 31.85 2dnf s GLN 81 CO 0.00 -0.07 0.08 -0.06 -0.25 0.00 0.00 175.29 174.99 2dnf s PHE 82 N -3.22 3.37 -0.08 0.91 0.40 -1.26 -0.28 117.98 117.82 2dnf s PHE 82 Ca 0.31 0.33 -0.04 0.00 -0.60 0.00 0.00 56.93 56.93 2dnf s PHE 82 Cb 0.06 -1.83 0.04 0.00 0.51 0.00 0.00 43.02 41.79 2dnf s PHE 82 CO 0.12 0.60 0.18 0.71 0.70 0.00 0.00 175.22 177.53 2dnf s TYR 83 N -1.03 -0.22 -0.05 0.36 1.51 -0.34 -4.59 117.35 112.99 2dnf s TYR 83 Ca 0.17 0.58 -0.26 0.00 -1.01 0.00 0.00 57.07 56.55 2dnf s TYR 83 Cb -0.12 -0.02 -0.03 0.00 -0.11 0.00 0.00 41.96 41.68 2dnf s TYR 83 CO 0.06 -0.18 0.82 0.08 -1.11 0.00 0.00 175.55 175.23 2dnf s VAL 84 N 1.07 4.96 -0.40 0.71 1.01 0.14 -1.97 120.40 125.92 2dnf s VAL 84 Ca -0.08 1.70 -0.22 0.00 0.00 0.00 0.00 61.98 63.38 2dnf s VAL 84 Cb -0.10 -4.16 0.01 0.00 0.00 0.00 0.00 36.38 32.14 2dnf s VAL 84 CO -0.06 0.19 0.72 0.00 0.00 0.00 0.00 175.10 175.95 2dnf s ALA 85 N 1.02 3.39 -0.13 5.51 0.00 0.51 -0.12 121.76 131.94 2dnf s ALA 85 Ca 0.43 -0.89 -0.06 0.00 0.00 0.00 0.00 51.96 51.44 2dnf s ALA 85 Cb -0.19 -3.33 -0.04 0.00 0.00 0.00 0.00 23.12 19.56 2dnf s ALA 85 CO 0.21 -1.61 0.10 0.08 0.00 0.00 0.00 175.76 174.55 2dnf s VAL 86 N 3.00 5.16 0.00 0.00 1.01 -0.08 -2.35 120.40 127.14 2dnf s VAL 86 Ca 0.28 0.08 0.00 0.00 0.00 0.00 0.00 61.98 62.34 2dnf s VAL 86 Cb -0.13 -3.26 0.00 0.00 0.00 0.00 0.00 36.38 32.99 2dnf s VAL 86 CO 0.18 0.58 0.00 0.61 0.00 0.00 0.00 175.10 176.47 2dnf n GLY 87 N 2.39 3.36 0.52 4.51 0.00 -1.26 -1.25 105.19 113.46 2dnf n GLY 87 Ca -0.19 -2.03 0.36 0.00 0.00 0.00 0.00 46.02 44.17 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 0.11 -7.20 1.61 3.08 -1.92 -3.40 114.38 106.65 2dnf h ARG 88 Ca 0.00 -0.01 -0.49 0.00 0.07 0.00 0.00 59.98 59.55 2dnf h ARG 88 Cb 0.00 -0.02 0.06 0.00 0.08 0.00 0.00 29.97 30.08 2dnf h ARG 88 CO 0.00 0.07 0.38 0.34 -1.07 0.00 0.00 179.97 179.69 2dnf s ASP 89 N -4.75 5.92 1.35 7.04 -1.08 -1.26 -5.03 116.67 118.86 2dnf s ASP 89 Ca -0.07 1.76 -0.19 0.00 -0.52 0.00 0.00 52.55 53.54 2dnf s ASP 89 Cb 0.26 -2.53 0.34 0.00 -1.46 0.00 0.00 42.92 39.54 2dnf s ASP 89 CO 0.83 -1.07 0.92 0.29 0.52 0.00 0.00 175.17 176.65 2dnf n LYS 90 N -1.99 -3.83 -3.21 4.34 4.01 -1.26 -4.94 118.16 111.28 2dnf n LYS 90 Ca 0.08 -1.12 -0.43 0.00 -0.51 0.00 0.00 58.31 56.33 2dnf n LYS 90 Cb 0.53 -2.02 -0.07 0.00 -0.51 0.00 0.00 35.03 32.96 2dnf n LYS 90 CO 0.00 0.00 0.00 0.12 -1.11 0.00 0.00 177.40 176.41 2dnf s PHE 91 N -2.24 3.11 -1.16 2.13 5.36 -1.26 -4.79 117.98 119.13 2dnf s PHE 91 Ca 0.68 -0.28 -0.22 0.00 -0.96 0.00 0.00 56.93 56.15 2dnf s PHE 91 Cb -0.18 -3.19 -0.03 0.00 -0.34 0.00 0.00 43.02 39.28 2dnf s PHE 91 CO 0.61 -0.83 1.85 0.15 -1.46 0.00 0.00 175.22 175.54 2dnf s LYS 92 N 2.49 2.95 -0.45 10.12 1.02 -1.26 -4.90 119.74 129.71 2dnf s LYS 92 Ca 0.17 -1.24 -0.43 0.00 0.02 0.00 0.00 55.97 54.49 2dnf s LYS 92 Cb -0.16 -5.30 -0.18 0.00 -0.52 0.00 0.00 37.83 31.67 2dnf s LYS 92 CO 0.15 -3.34 1.97 1.17 -0.92 0.00 0.00 175.35 174.39 2dnf n LYS 93 N 8.44 0.30 -3.71 1.68 0.00 -1.26 -4.29 118.16 119.32 2dnf n LYS 93 Ca 0.44 0.09 -0.13 0.00 0.00 0.00 0.00 58.31 58.71 2dnf n LYS 93 Cb 0.47 -1.72 -0.07 0.00 0.00 0.00 0.00 35.03 33.71 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 5.20 0.59 -0.51 3.14 1.43 -1.26 -5.08 118.68 122.19 2dnf s LEU 94 Ca 1.12 0.05 -0.27 0.00 -1.03 0.00 0.00 54.13 54.00 2dnf s LEU 94 Cb -1.35 1.54 -0.02 0.00 0.03 0.00 0.00 46.19 46.39 2dnf s LEU 94 CO 0.67 -0.57 1.80 -2.16 0.23 0.00 0.00 176.35 176.32 2dnf s PRO 95 N -1.97 2.94 -0.22 1.29 0.04 -1.26 -4.81 135.00 131.00 2dnf s PRO 95 Ca -0.09 0.89 0.06 0.00 0.04 0.00 0.00 61.00 61.90 2dnf s PRO 95 Cb -0.02 -4.29 -0.20 0.00 0.04 0.00 0.00 34.50 30.02 2dnf s PRO 95 CO 0.01 -2.35 -0.06 0.66 0.04 0.00 0.00 177.00 175.29 2dnf n TYR 96 N 11.62 0.15 0.24 0.56 4.01 -1.26 -4.29 117.16 128.19 2dnf n TYR 96 Ca 0.21 0.04 0.17 0.00 -0.16 0.00 0.00 57.90 58.15 2dnf n TYR 96 Cb 0.50 -1.02 0.77 0.00 -0.31 0.00 0.00 39.34 39.27 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 2.49 0.00 1.67 2.72 0.00 -1.88 0.24 103.07 108.31 2dnf h GLY 97 Ca -0.55 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 46.55 2dnf h GLY 97 CO -0.04 0.00 -1.01 0.83 0.00 0.00 0.00 176.54 176.32 2dnf h GLU 98 N 0.00 0.28 0.00 4.80 4.39 -1.85 -3.17 114.58 119.03 2dnf h GLU 98 Ca 0.08 -0.35 -0.03 0.00 0.34 0.00 0.00 59.36 59.40 2dnf h GLU 98 Cb 0.87 0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 29.63 2dnf h GLU 98 CO -0.00 1.09 -0.12 -0.07 -1.16 0.00 0.00 179.01 178.74 2dnf h LEU 99 N 0.13 0.00 0.19 1.33 3.38 -0.73 -2.09 115.31 117.52 2dnf h LEU 99 Ca -0.08 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 2dnf h LEU 99 Cb 1.68 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.43 2dnf h LEU 99 CO 0.16 0.12 -0.09 -0.07 0.09 0.00 0.00 178.44 178.65 2dnf h LEU 100 N 0.00 -0.22 -7.93 1.67 3.38 -1.50 -3.38 115.31 107.33 2dnf h LEU 100 Ca -0.00 -0.28 -0.55 0.00 0.09 0.00 0.00 57.88 57.14 2dnf h LEU 100 Cb 0.44 0.06 -0.35 0.00 0.09 0.00 0.00 40.66 40.90 2dnf h LEU 100 CO 0.02 0.20 -0.82 -0.36 0.09 0.00 0.00 178.44 177.56 2dnf s PHE 101 N -4.40 1.74 -1.07 1.13 0.08 -1.16 -4.74 117.98 109.56 2dnf s PHE 101 Ca -0.14 -0.79 -0.06 0.00 0.12 0.00 0.00 56.93 56.06 2dnf s PHE 101 Cb 0.02 -1.30 0.01 0.00 -0.57 0.00 0.00 43.02 41.18 2dnf s PHE 101 CO 0.57 -0.44 0.75 -3.47 -0.10 0.00 0.00 175.22 172.53 2dnf n ASP 102 N 4.26 -5.20 -4.43 1.36 2.03 -1.26 -4.72 116.55 108.59 2dnf n ASP 102 Ca -0.19 -0.34 -0.47 0.00 0.52 0.00 0.00 54.79 54.31 2dnf n ASP 102 Cb 0.51 -3.88 -0.11 0.00 -0.72 0.00 0.00 41.12 36.93 2dnf n ASP 102 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 2dnf n SER 103 N -1.74 1.15 0.00 1.67 3.41 -0.80 -4.80 113.62 112.51 2dnf n SER 103 Ca -0.02 0.26 0.00 0.00 -0.26 0.00 0.00 58.87 58.84 2dnf n SER 103 Cb 0.56 -1.10 0.00 0.00 -0.26 0.00 0.00 64.21 63.41 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 6.68 0.37 3.77 5.00 0.00 -1.26 -4.98 105.19 114.78 2dnf n GLY 104 Ca 0.53 0.68 -0.34 0.00 0.00 0.00 0.00 46.02 46.88 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 0.00 3.20 -0.63 1.61 0.04 -1.26 -4.84 135.00 133.12 2dnf s PRO 105 Ca 0.00 1.55 -0.34 0.00 0.04 0.00 0.00 61.00 62.24 2dnf s PRO 105 Cb 0.00 -1.99 -0.16 0.00 0.04 0.00 0.00 34.50 32.39 2dnf s PRO 105 CO 0.00 -0.96 2.39 0.43 0.04 0.00 0.00 177.00 178.90 2dnf n SER 106 N -1.61 1.20 -3.13 6.66 7.64 -1.26 -4.83 113.62 118.28 2dnf n SER 106 Ca 0.11 0.26 -0.09 0.00 1.01 0.00 0.00 58.87 60.16 2dnf n SER 106 Cb 0.51 -1.11 0.01 0.00 -1.01 0.00 0.00 64.21 62.61 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 8.33 0.01 0.00 6.43 0.01 -1.26 -5.36 113.70 121.86 2dnf s SER 107 Ca 1.19 -1.07 0.00 0.00 1.31 0.00 0.00 55.95 57.39 2dnf s SER 107 Cb -1.04 0.81 0.00 0.00 0.21 0.00 0.00 66.02 66.00 2dnf s SER 107 CO 0.50 -1.60 0.00 0.61 0.41 0.00 0.00 173.24 173.16