#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 -2.57 -3.18 1.61 2.88 -1.26 -5.01 113.62 106.10 2dnf n SER 2 Ca 0.00 0.54 0.02 0.00 -1.33 0.00 0.00 58.87 58.09 2dnf n SER 2 Cb 0.00 -1.06 -0.02 0.00 -0.75 0.00 0.00 64.21 62.38 2dnf n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2dnf s SER 3 N -1.30 -1.17 0.83 -3.46 0.01 -1.26 -5.16 113.70 102.19 2dnf s SER 3 Ca 0.59 0.59 -0.07 0.00 1.31 0.00 0.00 55.95 58.37 2dnf s SER 3 Cb -0.35 1.97 0.11 0.00 0.21 0.00 0.00 66.02 67.95 2dnf s SER 3 CO 0.64 -0.28 0.25 0.61 0.41 0.00 0.00 173.24 174.87 2dnf n GLY 4 N 5.42 -2.28 2.41 3.44 0.00 -1.26 -4.96 105.19 107.96 2dnf n GLY 4 Ca 0.00 -0.74 -0.16 0.00 0.00 0.00 0.00 46.02 45.11 2dnf n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2dnf n SER 5 N -2.01 3.57 -4.77 1.61 3.41 -1.26 -5.06 113.62 109.10 2dnf n SER 5 Ca 0.04 -3.16 -0.37 0.00 -0.26 0.00 0.00 58.87 55.12 2dnf n SER 5 Cb 0.17 -0.42 -0.07 0.00 -0.26 0.00 0.00 64.21 63.63 2dnf n SER 5 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2dnf s SER 6 N -3.58 6.50 -0.30 4.04 0.15 -1.26 -4.99 113.70 114.25 2dnf s SER 6 Ca 0.41 0.59 0.20 0.00 0.70 0.00 0.00 55.95 57.84 2dnf s SER 6 Cb 0.39 -2.18 0.48 0.00 -1.71 0.00 0.00 66.02 63.01 2dnf s SER 6 CO -0.03 0.19 1.02 0.61 1.20 0.00 0.00 173.24 176.24 2dnf n GLY 7 N 2.85 1.76 2.68 9.45 0.00 -1.26 -5.05 105.19 115.62 2dnf n GLY 7 Ca -0.14 -1.23 -0.25 0.00 0.00 0.00 0.00 46.02 44.40 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 -3.43 0.27 -0.11 1.61 3.00 -1.26 -5.14 118.95 113.89 2dnf s ARG 8 Ca 0.28 -0.06 -0.05 0.00 0.00 0.00 0.00 55.73 55.90 2dnf s ARG 8 Cb 0.40 -1.54 -0.04 0.00 0.00 0.00 0.00 34.95 33.77 2dnf s ARG 8 CO 0.00 -0.55 0.06 0.21 0.00 0.00 0.00 175.30 175.03 2dnf s LYS 9 N 2.05 3.32 0.82 3.54 2.36 -1.26 -5.10 119.74 125.47 2dnf s LYS 9 Ca 0.02 -0.30 -0.11 0.00 -2.55 0.00 0.00 55.97 53.03 2dnf s LYS 9 Cb -0.15 -3.01 0.09 0.00 -1.05 0.00 0.00 37.83 33.71 2dnf s LYS 9 CO -0.07 0.65 1.09 -1.25 1.55 0.00 0.00 175.35 177.32 2dnf s PRO 10 N -0.71 1.85 0.10 4.03 0.04 -1.26 -4.95 135.00 134.10 2dnf s PRO 10 Ca 0.12 1.02 -0.21 0.00 0.04 0.00 0.00 61.00 61.97 2dnf s PRO 10 Cb -0.12 -1.86 -0.05 0.00 0.04 0.00 0.00 34.50 32.51 2dnf s PRO 10 CO 0.02 -1.89 1.36 -0.07 0.04 0.00 0.00 177.00 176.47 2dnf h LEU 11 N -1.30 -1.38 -6.84 -3.56 3.38 -2.09 -3.39 115.31 100.13 2dnf h LEU 11 Ca -0.46 0.20 -0.66 0.00 0.09 0.00 0.00 57.88 57.05 2dnf h LEU 11 Cb 1.25 0.60 -0.03 0.00 0.09 0.00 0.00 40.66 42.58 2dnf h LEU 11 CO 0.53 -0.19 1.00 0.00 0.09 0.00 0.00 178.44 179.87 2dnf n GLN 12 N -4.49 0.00 -4.22 1.13 10.64 -1.26 -4.90 117.38 114.29 2dnf n GLN 12 Ca 0.00 0.00 -0.33 0.00 -1.83 0.00 0.00 57.00 54.84 2dnf n GLN 12 Cb 0.19 -1.25 -0.08 0.00 -0.86 0.00 0.00 30.24 28.24 2dnf n GLN 12 CO 0.00 0.00 0.00 -1.21 -1.83 0.00 0.00 177.06 174.02 2dnf s GLU 13 N 4.52 2.92 0.76 2.61 2.02 -1.26 -4.86 118.70 125.42 2dnf s GLU 13 Ca 0.98 -0.53 -0.11 0.00 0.02 0.00 0.00 54.97 55.33 2dnf s GLU 13 Cb -1.25 -2.76 0.05 0.00 0.10 0.00 0.00 34.13 30.27 2dnf s GLU 13 CO 0.58 0.65 1.09 -1.25 0.02 0.00 0.00 175.26 176.34 2dnf s PRO 14 N -1.54 2.30 -0.08 0.39 0.04 -1.26 -4.50 135.00 130.35 2dnf s PRO 14 Ca 0.20 1.19 0.01 0.00 0.04 0.00 0.00 61.00 62.43 2dnf s PRO 14 Cb -0.12 -1.90 0.02 0.00 0.04 0.00 0.00 34.50 32.54 2dnf s PRO 14 CO 0.11 -1.61 -0.09 0.00 0.04 0.00 0.00 177.00 175.45 2dnf s THR 16 N 1.23 5.00 0.06 0.00 2.01 -1.26 -2.08 115.64 120.60 2dnf s THR 16 Ca -0.04 1.14 0.06 0.00 0.31 0.00 0.00 61.69 63.16 2dnf s THR 16 Cb -0.14 -3.93 -0.03 0.00 0.01 0.00 0.00 72.50 68.41 2dnf s THR 16 CO -0.02 0.06 -0.17 0.27 -0.69 0.00 0.00 174.62 174.06 2dnf s ILE 17 N 2.27 1.39 -0.10 1.82 -4.36 0.11 -0.33 121.20 121.99 2dnf s ILE 17 Ca 0.27 -1.25 -0.13 0.00 -0.26 0.00 0.00 60.65 59.29 2dnf s ILE 17 Cb -0.16 -1.26 -0.05 0.00 1.25 0.00 0.00 42.46 42.25 2dnf s ILE 17 CO 0.09 -0.02 0.30 -0.36 0.24 0.00 0.00 174.94 175.19 2dnf s PHE 18 N -1.01 3.57 -0.06 1.37 0.40 -0.22 -0.84 117.98 121.18 2dnf s PHE 18 Ca 0.03 0.71 0.03 0.00 -0.60 0.00 0.00 56.93 57.10 2dnf s PHE 18 Cb -0.09 -2.25 -0.02 0.00 0.51 0.00 0.00 43.02 41.17 2dnf s PHE 18 CO 0.02 0.46 -0.14 -0.51 0.70 0.00 0.00 175.22 175.76 2dnf s LEU 19 N -0.29 2.75 0.07 -0.37 2.01 -1.09 -0.32 118.68 121.44 2dnf s LEU 19 Ca 0.19 -0.21 0.06 0.00 0.01 0.00 0.00 54.13 54.18 2dnf s LEU 19 Cb -0.14 -1.57 -0.03 0.00 0.01 0.00 0.00 46.19 44.46 2dnf s LEU 19 CO 0.07 0.31 -0.17 -0.63 1.01 0.00 0.00 176.35 176.95 2dnf s ILE 20 N -0.54 1.33 -0.11 -0.59 1.01 -1.08 -0.60 121.20 120.61 2dnf s ILE 20 Ca 0.07 -1.32 -0.30 0.00 0.00 0.00 0.00 60.65 59.11 2dnf s ILE 20 Cb -0.12 -1.23 -0.02 0.00 0.01 0.00 0.00 42.46 41.10 2dnf s ILE 20 CO 0.01 -0.11 1.25 0.00 0.00 0.00 0.00 174.94 176.10 2dnf s ALA 21 N -1.14 3.60 -0.17 9.38 0.00 -1.26 -0.50 121.76 131.67 2dnf s ALA 21 Ca 0.02 0.55 -0.32 0.00 0.00 0.00 0.00 51.96 52.21 2dnf s ALA 21 Cb -0.10 -3.58 -0.09 0.00 0.00 0.00 0.00 23.12 19.35 2dnf s ALA 21 CO 0.03 -1.01 2.07 -1.71 0.00 0.00 0.00 175.76 175.14 2dnf n ASN 22 N 6.04 3.22 0.00 0.00 5.15 -1.18 -0.24 115.26 128.25 2dnf n ASN 22 Ca 0.13 0.59 0.00 0.00 -0.60 0.00 0.00 54.58 54.70 2dnf n ASN 22 Cb 0.45 -1.43 0.00 0.00 -0.53 0.00 0.00 39.78 38.27 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 5.32 0.38 3.50 8.20 0.00 -1.26 -4.98 105.19 116.35 2dnf n GLY 23 Ca 0.29 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.70 6.24 -0.15 1.61 -1.08 0.66 -4.89 116.67 116.36 2dnf s ASP 24 Ca 0.00 -0.54 0.17 0.00 -0.52 0.00 0.00 52.55 51.66 2dnf s ASP 24 Cb 0.00 -2.25 0.43 0.00 -1.46 0.00 0.00 42.92 39.63 2dnf s ASP 24 CO 0.00 -0.63 1.31 0.18 0.52 0.00 0.00 175.17 176.55 2dnf n LEU 25 N 5.81 3.29 -0.04 -1.34 7.99 -1.26 -4.63 117.00 126.82 2dnf n LEU 25 Ca -0.05 -2.97 -0.07 0.00 -0.01 0.00 0.00 56.01 52.90 2dnf n LEU 25 Cb 0.48 -0.48 -0.03 0.00 -0.11 0.00 0.00 43.42 43.28 2dnf n LEU 25 CO 0.48 0.68 -0.75 -0.38 -1.51 0.00 0.00 177.39 175.91 2dnf n ILE 26 N -0.78 0.41 -3.39 -0.08 -0.00 -1.26 -5.03 119.36 109.23 2dnf n ILE 26 Ca 0.19 -0.12 -0.36 0.00 -0.00 0.00 0.00 62.75 62.45 2dnf n ILE 26 Cb 0.77 -1.33 -0.06 0.00 -0.00 0.00 0.00 39.64 39.02 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 -5.37 6.84 0.76 4.38 0.02 -1.26 -5.09 114.94 115.22 2dnf s ASN 27 Ca -0.10 1.06 0.00 0.00 -1.02 0.00 0.00 52.86 52.79 2dnf s ASN 27 Cb 0.04 -2.28 0.00 0.00 0.02 0.00 0.00 41.25 39.03 2dnf s ASN 27 CO 0.14 0.18 0.00 -0.81 0.02 0.00 0.00 177.10 176.64 2dnf n PRO 28 N 1.16 -0.55 -1.67 -0.60 -0.04 -1.26 -4.89 135.00 127.15 2dnf n PRO 28 Ca -0.08 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.23 2dnf n PRO 28 Cb 0.52 0.00 0.08 0.00 -0.04 0.00 0.00 33.50 34.06 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 -3.00 -0.09 -3.81 0.55 0.00 -1.26 -4.77 120.51 108.13 2dnf n ALA 29 Ca 0.00 -1.17 -0.29 0.00 0.00 0.00 0.00 53.44 51.98 2dnf n ALA 29 Cb 0.00 0.15 -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 -3.57 3.74 -0.69 0.00 0.01 0.23 -4.88 113.70 108.54 2dnf s SER 30 Ca 0.41 -1.33 -0.25 0.00 1.31 0.00 0.00 55.95 56.09 2dnf s SER 30 Cb -0.02 -0.94 -0.13 0.00 0.21 0.00 0.00 66.02 65.14 2dnf s SER 30 CO 0.28 -0.33 2.44 -1.14 0.41 0.00 0.00 173.24 174.89 2dnf n ARG 31 N 4.81 0.67 -5.10 12.44 0.63 -1.26 -2.68 116.66 126.17 2dnf n ARG 31 Ca -0.06 -0.24 -0.32 0.00 -0.92 0.00 0.00 57.85 56.31 2dnf n ARG 31 Cb 0.44 -3.04 -0.15 0.00 0.45 0.00 0.00 32.46 30.16 2dnf n ARG 31 CO 0.00 0.00 0.00 -1.17 -2.51 0.00 0.00 177.63 173.95 2dnf s LEU 32 N 11.55 2.35 0.08 6.15 2.96 -0.02 -4.97 118.68 136.77 2dnf s LEU 32 Ca 1.05 -0.38 0.04 0.00 -0.22 0.00 0.00 54.13 54.62 2dnf s LEU 32 Cb -0.37 -1.45 -0.04 0.00 0.50 0.00 0.00 46.19 44.83 2dnf s LEU 32 CO 0.27 0.29 0.02 -0.22 -1.32 0.00 0.00 176.35 175.39 2dnf s LEU 33 N -0.39 3.56 -0.08 -0.68 2.96 -1.26 0.03 118.68 122.82 2dnf s LEU 33 Ca 0.04 -0.11 0.00 0.00 -0.22 0.00 0.00 54.13 53.84 2dnf s LEU 33 Cb -0.12 -2.25 0.02 0.00 0.50 0.00 0.00 46.19 44.34 2dnf s LEU 33 CO 0.02 0.19 -0.08 -0.63 -1.32 0.00 0.00 176.35 174.53 2dnf s ILE 34 N -1.30 0.92 0.20 6.68 1.01 -0.88 -4.97 121.20 122.86 2dnf s ILE 34 Ca 0.26 -0.28 -0.30 0.00 0.00 0.00 0.00 60.65 60.33 2dnf s ILE 34 Cb -0.12 -0.92 -0.09 0.00 0.01 0.00 0.00 42.46 41.34 2dnf s ILE 34 CO 0.18 0.33 1.30 -2.16 0.00 0.00 0.00 174.94 174.59 2dnf s PRO 35 N 1.31 4.40 0.18 2.79 0.04 -1.26 -2.85 135.00 139.61 2dnf s PRO 35 Ca -0.03 2.04 -0.15 0.00 0.04 0.00 0.00 61.00 62.90 2dnf s PRO 35 Cb -0.14 -3.19 0.19 0.00 0.04 0.00 0.00 34.50 31.39 2dnf s PRO 35 CO -0.03 -0.23 1.26 -2.13 0.04 0.00 0.00 177.00 175.90 2dnf n ARG 36 N 2.56 -0.20 -0.29 4.56 0.00 -1.26 0.10 116.66 122.14 2dnf n ARG 36 Ca 0.06 1.25 0.05 0.00 -0.00 0.00 0.00 57.85 59.20 2dnf n ARG 36 Cb 0.43 -1.85 0.14 0.00 0.00 0.00 0.00 32.46 31.18 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 -0.27 -0.14 3.64 -1.96 0.13 116.57 118.00 2dnf h LYS 37 Ca 0.28 -0.00 -0.17 0.00 -1.27 0.00 0.00 60.65 59.49 2dnf h LYS 37 Cb 0.48 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.29 2dnf h LYS 37 CO -0.80 0.02 -0.48 1.15 -2.27 0.00 0.00 179.45 177.07 2dnf h THR 38 N 0.03 1.29 -0.44 1.00 2.02 0.36 -3.00 112.91 114.16 2dnf h THR 38 Ca 0.42 -1.67 0.13 0.00 0.77 0.00 0.00 66.41 66.06 2dnf h THR 38 Cb 0.71 1.68 -0.02 0.00 -1.74 0.00 0.00 68.15 68.79 2dnf h THR 38 CO -0.80 0.54 0.67 -0.07 0.37 0.00 0.00 175.52 176.22 2dnf h LEU 39 N 0.55 0.00 -0.49 2.58 3.38 0.16 0.63 115.31 122.12 2dnf h LEU 39 Ca 0.02 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.83 2dnf h LEU 39 Cb 1.08 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.83 2dnf h LEU 39 CO 0.11 0.00 -0.49 0.78 0.09 0.00 0.00 178.44 178.93 2dnf h ASN 40 N 0.00 0.75 -3.55 -0.43 2.35 -1.28 -3.37 115.58 110.04 2dnf h ASN 40 Ca 0.21 -0.38 -0.63 0.00 -0.55 0.00 0.00 56.30 54.96 2dnf h ASN 40 Cb 1.54 -0.21 -0.17 0.00 0.05 0.00 0.00 38.32 39.53 2dnf h ASN 40 CO -0.00 1.11 -0.54 -1.10 -1.65 0.00 0.00 177.43 175.25 2dnf s GLN 41 N -4.14 3.96 0.06 0.81 -1.52 0.22 -4.87 119.66 114.17 2dnf s GLN 41 Ca -0.09 -0.33 -0.18 0.00 -1.95 0.00 0.00 55.36 52.81 2dnf s GLN 41 Cb 0.11 -3.43 -0.14 0.00 -0.22 0.00 0.00 33.01 29.33 2dnf s GLN 41 CO 0.85 0.05 1.32 2.35 -0.25 0.00 0.00 175.29 179.61 2dnf h TRP 42 N 7.52 0.65 -0.24 0.91 -0.00 -1.82 -2.99 115.95 119.97 2dnf h TRP 42 Ca -0.37 -0.23 0.03 0.00 -0.00 0.00 0.00 58.89 58.32 2dnf h TRP 42 Cb 1.17 -0.12 -0.01 0.00 -0.00 0.00 0.00 29.16 30.20 2dnf h TRP 42 CO 0.65 0.95 0.16 -0.44 -0.00 0.00 0.00 178.44 179.77 2dnf h ASP 43 N 0.16 0.16 0.84 2.65 5.19 -1.92 -0.19 116.42 123.30 2dnf h ASP 43 Ca 0.01 -0.00 -0.10 0.00 -0.62 0.00 0.00 57.03 56.32 2dnf h ASP 43 Cb 0.91 -0.04 -0.01 0.00 0.18 0.00 0.00 39.33 40.37 2dnf h ASP 43 CO 0.07 0.11 -0.46 0.45 -3.12 0.00 0.00 179.24 176.30 2dnf h HIS 44 N 0.19 0.00 0.01 4.55 3.86 -1.84 -2.99 115.15 118.93 2dnf h HIS 44 Ca 0.10 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.31 2dnf h HIS 44 Cb 0.17 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.64 2dnf h HIS 44 CO -0.00 0.46 -0.00 0.28 0.86 0.00 0.00 177.93 179.52 2dnf h VAL 45 N 0.00 1.47 -0.86 2.45 2.07 -0.90 -3.24 116.25 117.24 2dnf h VAL 45 Ca -0.00 -1.46 0.08 0.00 0.82 0.00 0.00 66.70 66.14 2dnf h VAL 45 Cb 1.00 2.46 -0.06 0.00 -1.52 0.00 0.00 31.29 33.17 2dnf h VAL 45 CO 0.06 0.38 0.56 -0.07 0.02 0.00 0.00 177.57 178.51 2dnf h LEU 46 N -0.64 0.80 -1.70 2.57 -0.00 -1.50 0.28 115.31 115.13 2dnf h LEU 46 Ca -0.00 0.01 0.12 0.00 -0.00 0.00 0.00 57.88 58.01 2dnf h LEU 46 Cb 0.62 -0.16 -0.04 0.00 -0.00 0.00 0.00 40.66 41.09 2dnf h LEU 46 CO 0.00 0.50 0.42 -0.61 -0.00 0.00 0.00 178.44 178.75 2dnf h GLN 47 N 0.90 0.31 0.07 1.13 5.75 -1.55 -0.60 115.11 121.12 2dnf h GLN 47 Ca 0.38 -0.02 -0.36 0.00 -0.15 0.00 0.00 58.65 58.50 2dnf h GLN 47 Cb 0.30 -0.07 -0.04 0.00 1.07 0.00 0.00 27.48 28.74 2dnf h GLN 47 CO -0.15 0.21 -2.09 -1.33 -2.65 0.00 0.00 178.83 172.82 2dnf n MET 48 N -4.46 0.71 -0.20 1.69 2.81 -0.26 -4.15 117.12 113.27 2dnf n MET 48 Ca 0.11 0.22 0.07 0.00 -1.81 0.00 0.00 57.70 56.29 2dnf n MET 48 Cb 0.46 -1.66 0.35 0.00 -0.71 0.00 0.00 33.22 31.65 2dnf n MET 48 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 2dnf h VAL 49 N 0.04 1.00 -0.69 2.03 2.07 0.01 -1.73 116.25 118.98 2dnf h VAL 49 Ca -0.45 -0.26 -0.05 0.00 0.82 0.00 0.00 66.70 66.77 2dnf h VAL 49 Cb 2.02 0.17 -0.03 0.00 -1.52 0.00 0.00 31.29 31.93 2dnf h VAL 49 CO 0.04 0.14 0.25 0.74 0.02 0.00 0.00 177.57 178.76 2dnf h THR 50 N 0.76 1.25 -1.10 2.57 2.02 -1.29 -0.81 112.91 116.31 2dnf h THR 50 Ca 0.33 -0.81 0.32 0.00 0.77 0.00 0.00 66.41 67.02 2dnf h THR 50 Cb 0.31 0.48 -0.12 0.00 -1.74 0.00 0.00 68.15 67.08 2dnf h THR 50 CO -0.12 0.32 0.69 -0.33 0.37 0.00 0.00 175.52 176.45 2dnf h GLU 51 N 0.99 0.31 0.07 6.66 5.08 -1.47 -1.32 114.58 124.90 2dnf h GLU 51 Ca 0.23 -0.02 -0.29 0.00 -1.00 0.00 0.00 59.36 58.28 2dnf h GLU 51 Cb 0.24 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 2dnf h GLU 51 CO -0.01 0.20 -1.54 0.87 -1.00 0.00 0.00 179.01 177.53 2dnf h LYS 52 N 0.32 0.14 -4.48 2.33 6.56 -1.54 -3.44 116.57 116.46 2dnf h LYS 52 Ca 0.69 -0.24 -0.69 0.00 -1.06 0.00 0.00 60.65 59.35 2dnf h LYS 52 Cb 1.79 0.09 -0.35 0.00 -0.57 0.00 0.00 32.23 33.19 2dnf h LYS 52 CO -0.42 1.11 -0.55 0.42 -2.06 0.00 0.00 179.45 177.96 2dnf s ILE 53 N -2.45 3.28 -0.52 1.86 -1.09 -0.34 -4.99 121.20 116.95 2dnf s ILE 53 Ca -0.25 -2.07 -0.16 0.00 -2.23 0.00 0.00 60.65 55.94 2dnf s ILE 53 Cb 0.06 -3.25 0.10 0.00 -1.58 0.00 0.00 42.46 37.79 2dnf s ILE 53 CO 0.69 -0.69 0.50 -0.89 -1.23 0.00 0.00 174.94 173.31 2dnf s THR 54 N 1.13 5.15 0.40 2.92 2.01 -1.11 -4.20 115.64 121.93 2dnf s THR 54 Ca 0.08 -1.19 -0.25 0.00 0.31 0.00 0.00 61.69 60.64 2dnf s THR 54 Cb -0.23 -4.27 -0.09 0.00 0.01 0.00 0.00 72.50 67.92 2dnf s THR 54 CO -0.04 -0.79 1.13 -0.76 -0.69 0.00 0.00 174.62 173.47 2dnf s LEU 55 N 1.83 4.18 0.61 4.42 1.43 -1.19 -4.92 118.68 125.04 2dnf s LEU 55 Ca 0.05 2.25 0.39 0.00 -1.03 0.00 0.00 54.13 55.80 2dnf s LEU 55 Cb -0.26 -4.06 1.86 0.00 0.03 0.00 0.00 46.19 43.76 2dnf s LEU 55 CO 0.06 -0.62 2.17 0.08 0.23 0.00 0.00 176.35 178.26 2dnf h ARG 56 N 2.61 0.00 -0.00 1.70 0.11 -1.98 -0.91 114.38 115.90 2dnf h ARG 56 Ca -0.49 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.59 2dnf h ARG 56 Cb 1.23 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.31 2dnf h ARG 56 CO 0.62 0.00 -0.26 0.45 0.10 0.00 0.00 179.97 180.88 2dnf n SER 57 N -3.10 0.42 0.00 0.08 2.88 -1.26 -5.04 113.62 107.60 2dnf n SER 57 Ca -0.01 -0.19 0.00 0.00 -1.33 0.00 0.00 58.87 57.34 2dnf n SER 57 Cb 0.20 -0.02 0.00 0.00 -0.75 0.00 0.00 64.21 63.63 2dnf n SER 57 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dnf n GLY 58 N 1.44 0.65 3.60 0.46 0.00 -0.35 -4.98 105.19 106.02 2dnf n GLY 58 Ca 0.08 -2.13 -0.29 0.00 0.00 0.00 0.00 46.02 43.68 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 -1.59 0.53 0.44 4.61 0.00 -1.26 -3.18 121.76 121.30 2dnf s ALA 59 Ca 0.00 -0.06 -0.21 0.00 0.00 0.00 0.00 51.96 51.69 2dnf s ALA 59 Cb 0.00 -3.24 -0.11 0.00 0.00 0.00 0.00 23.12 19.78 2dnf s ALA 59 CO 0.00 -3.16 0.96 0.08 0.00 0.00 0.00 175.76 173.64 2dnf s VAL 60 N -2.70 4.31 0.00 0.00 1.01 -1.26 -4.67 120.40 117.09 2dnf s VAL 60 Ca 0.66 1.44 0.00 0.00 0.00 0.00 0.00 61.98 64.09 2dnf s VAL 60 Cb -0.22 -3.58 0.00 0.00 0.00 0.00 0.00 36.38 32.58 2dnf s VAL 60 CO 0.61 -0.31 0.00 1.41 0.00 0.00 0.00 175.10 176.81 2dnf n HIS 61 N -0.68 0.00 -4.11 5.22 8.25 -1.15 -4.87 115.22 117.88 2dnf n HIS 61 Ca 0.07 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.38 2dnf n HIS 61 Cb 0.54 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.60 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 -1.74 1.89 0.05 -0.41 0.52 0.17 -5.01 118.95 114.42 2dnf s ARG 62 Ca 0.00 -1.78 -0.01 0.00 -0.52 0.00 0.00 55.73 53.42 2dnf s ARG 62 Cb 0.00 0.43 -0.04 0.00 0.52 0.00 0.00 34.95 35.86 2dnf s ARG 62 CO 0.00 -0.78 -0.03 -0.51 0.02 0.00 0.00 175.30 174.00 2dnf s LEU 63 N -3.25 2.46 -0.13 2.53 1.02 -1.23 -0.13 118.68 119.95 2dnf s LEU 63 Ca 0.32 -0.94 -0.09 0.00 0.02 0.00 0.00 54.13 53.44 2dnf s LEU 63 Cb -0.00 0.16 0.04 0.00 0.02 0.00 0.00 46.19 46.41 2dnf s LEU 63 CO 0.21 -0.55 0.32 -0.31 0.02 0.00 0.00 176.35 176.04 2dnf s TYR 64 N -3.60 -0.42 1.13 0.29 1.51 -0.35 -1.39 117.35 114.52 2dnf s TYR 64 Ca 0.05 0.96 -0.16 0.00 -1.01 0.00 0.00 57.07 56.91 2dnf s TYR 64 Cb 0.06 0.14 0.25 0.00 -0.11 0.00 0.00 41.96 42.30 2dnf s TYR 64 CO -0.08 -0.24 1.08 0.95 -1.11 0.00 0.00 175.55 176.14 2dnf s THR 65 N 0.89 1.80 -0.93 -0.71 -4.23 -0.63 -1.59 115.64 110.23 2dnf s THR 65 Ca -0.06 0.00 0.18 0.00 -1.18 0.00 0.00 61.69 60.63 2dnf s THR 65 Cb -0.07 -2.42 0.16 0.00 1.34 0.00 0.00 72.50 71.52 2dnf s THR 65 CO -0.06 0.00 1.58 0.18 -0.54 0.00 0.00 174.62 175.77 2dnf n LEU 66 N -4.60 0.10 0.04 4.79 4.77 -1.26 -2.13 117.00 118.71 2dnf n LEU 66 Ca 0.08 0.52 0.11 0.00 -0.03 0.00 0.00 56.01 56.70 2dnf n LEU 66 Cb 0.58 -0.50 0.01 0.00 -2.33 0.00 0.00 43.42 41.18 2dnf n LEU 66 CO 0.52 -0.24 -0.05 -0.62 -1.33 0.00 0.00 177.39 175.67 2dnf n GLU 67 N -1.61 0.40 0.00 3.23 1.02 -1.26 -4.81 120.64 117.61 2dnf n GLU 67 Ca 0.04 0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.19 2dnf n GLU 67 Cb 0.21 -1.64 0.00 0.00 -0.02 0.00 0.00 31.44 29.99 2dnf n GLU 67 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2dnf n GLY 68 N 1.31 0.94 3.67 0.62 0.00 -0.91 -5.10 105.19 105.72 2dnf n GLY 68 Ca 0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.32 0.96 -0.05 1.61 2.20 -1.26 -4.72 119.74 118.15 2dnf s LYS 69 Ca 0.00 1.52 0.06 0.00 -0.36 0.00 0.00 55.97 57.19 2dnf s LYS 69 Cb 0.00 -1.72 -0.02 0.00 -1.51 0.00 0.00 37.83 34.58 2dnf s LYS 69 CO 0.00 -2.67 -0.23 -1.17 -0.36 0.00 0.00 175.35 170.93 2dnf s LEU 70 N -6.62 2.21 -0.29 5.43 0.20 -1.26 -1.61 118.68 116.74 2dnf s LEU 70 Ca 0.67 -0.43 0.03 0.00 0.69 0.00 0.00 54.13 55.08 2dnf s LEU 70 Cb -0.23 -1.41 0.07 0.00 -0.43 0.00 0.00 46.19 44.20 2dnf s LEU 70 CO 0.58 0.28 -0.04 -0.69 -0.29 0.00 0.00 176.35 176.19 2dnf s VAL 71 N -0.38 2.30 -0.24 1.68 1.01 -0.49 -4.95 120.40 119.34 2dnf s VAL 71 Ca 0.03 -1.87 0.21 0.00 0.00 0.00 0.00 61.98 60.35 2dnf s VAL 71 Cb -0.12 -2.48 0.04 0.00 0.00 0.00 0.00 36.38 33.82 2dnf s VAL 71 CO 0.02 -0.24 1.13 -0.33 0.00 0.00 0.00 175.10 175.67 2dnf h GLU 72 N 7.74 0.00 -4.79 2.72 5.08 -1.98 -3.25 114.58 120.11 2dnf h GLU 72 Ca -0.14 0.00 -0.45 0.00 -1.00 0.00 0.00 59.36 57.77 2dnf h GLU 72 Cb 1.04 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 30.16 2dnf h GLU 72 CO 0.49 0.11 -0.43 -1.54 -1.00 0.00 0.00 179.01 176.64 2dnf s SER 73 N -5.70 1.62 -0.03 1.42 1.04 -1.26 -4.86 113.70 105.94 2dnf s SER 73 Ca 0.01 -1.73 0.01 0.00 0.48 0.00 0.00 55.95 54.71 2dnf s SER 73 Cb 0.08 0.58 0.07 0.00 0.10 0.00 0.00 66.02 66.85 2dnf s SER 73 CO 0.77 -1.12 0.77 0.61 0.98 0.00 0.00 173.24 175.26 2dnf n GLY 74 N -0.63 1.83 0.08 7.32 0.00 -1.26 -3.47 105.19 109.06 2dnf n GLY 74 Ca 0.07 -0.08 0.05 0.00 0.00 0.00 0.00 46.02 46.05 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 0.16 2.31 0.03 4.61 0.00 -1.26 -4.01 120.51 122.35 2dnf n ALA 75 Ca 0.03 -0.54 0.10 0.00 0.00 0.00 0.00 53.44 53.03 2dnf n ALA 75 Cb 0.43 -0.85 0.28 0.00 0.00 0.00 0.00 19.45 19.31 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 -2.63 2.44 -1.87 0.00 1.02 -1.23 -4.94 120.64 113.44 2dnf n GLU 76 Ca -0.08 -2.24 -0.20 0.00 -0.02 0.00 0.00 57.16 54.62 2dnf n GLU 76 Cb 0.72 -1.48 0.12 0.00 -0.02 0.00 0.00 31.44 30.77 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 1.32 0.00 -3.46 -4.62 4.77 -1.26 -5.01 117.00 108.76 2dnf n LEU 77 Ca 0.21 -1.44 -0.14 0.00 -0.03 0.00 0.00 56.01 54.61 2dnf n LEU 77 Cb 0.53 -0.62 -0.03 0.00 -2.33 0.00 0.00 43.42 40.96 2dnf n LEU 77 CO 0.14 -1.03 0.42 -0.70 -1.33 0.00 0.00 177.39 174.89 2dnf s GLU 78 N -4.82 1.20 -0.40 3.23 2.56 -1.26 -5.11 118.70 114.09 2dnf s GLU 78 Ca 0.55 -0.21 -0.27 0.00 0.00 0.00 0.00 54.97 55.04 2dnf s GLU 78 Cb -0.02 0.56 0.02 0.00 2.00 0.00 0.00 34.13 36.68 2dnf s GLU 78 CO 0.37 -0.48 0.98 0.54 -0.56 0.00 0.00 175.26 176.11 2dnf s ASN 79 N -2.20 6.66 0.00 -1.70 4.22 -1.26 -3.63 114.94 117.03 2dnf s ASN 79 Ca -0.03 0.52 0.00 0.00 -2.14 0.00 0.00 52.86 51.21 2dnf s ASN 79 Cb -0.01 -2.48 0.00 0.00 1.28 0.00 0.00 41.25 40.04 2dnf s ASN 79 CO -0.05 -0.96 0.00 0.61 -2.04 0.00 0.00 177.10 174.66 2dnf n GLY 80 N 4.51 0.84 3.67 0.45 0.00 0.56 -4.94 105.19 110.28 2dnf n GLY 80 Ca 0.08 -0.62 -0.30 0.00 0.00 0.00 0.00 46.02 45.18 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 -3.78 2.05 -0.00 1.61 -1.52 -1.24 -5.00 119.66 111.79 2dnf s GLN 81 Ca 0.00 -2.24 0.04 0.00 -1.95 0.00 0.00 55.36 51.21 2dnf s GLN 81 Cb 0.00 -1.52 -0.03 0.00 -0.22 0.00 0.00 33.01 31.24 2dnf s GLN 81 CO 0.00 -0.22 -0.10 -0.06 -0.25 0.00 0.00 175.29 174.67 2dnf s PHE 82 N -2.83 2.81 -0.12 0.91 0.40 -1.26 -1.06 117.98 116.83 2dnf s PHE 82 Ca 0.21 -0.09 -0.06 0.00 -0.60 0.00 0.00 56.93 56.39 2dnf s PHE 82 Cb 0.06 -1.60 0.05 0.00 0.51 0.00 0.00 43.02 42.04 2dnf s PHE 82 CO 0.11 0.32 0.29 0.71 0.70 0.00 0.00 175.22 177.35 2dnf s TYR 83 N -0.93 -0.40 0.16 0.36 1.51 0.56 -4.68 117.35 113.93 2dnf s TYR 83 Ca 0.15 0.92 -0.28 0.00 -1.01 0.00 0.00 57.07 56.86 2dnf s TYR 83 Cb -0.11 0.10 -0.07 0.00 -0.11 0.00 0.00 41.96 41.76 2dnf s TYR 83 CO 0.06 -0.27 0.87 0.08 -1.11 0.00 0.00 175.55 175.18 2dnf s VAL 84 N 1.38 4.36 -0.47 0.71 1.01 -0.62 -2.63 120.40 124.13 2dnf s VAL 84 Ca -0.09 1.91 -0.22 0.00 0.00 0.00 0.00 61.98 63.58 2dnf s VAL 84 Cb -0.10 -4.24 0.03 0.00 0.00 0.00 0.00 36.38 32.07 2dnf s VAL 84 CO -0.10 0.44 0.76 0.00 0.00 0.00 0.00 175.10 176.20 2dnf s ALA 85 N -0.71 3.29 -0.19 5.51 0.00 0.35 -1.21 121.76 128.80 2dnf s ALA 85 Ca 0.41 -1.15 -0.07 0.00 0.00 0.00 0.00 51.96 51.15 2dnf s ALA 85 Cb -0.24 -3.46 -0.04 0.00 0.00 0.00 0.00 23.12 19.39 2dnf s ALA 85 CO 0.29 -1.97 0.05 0.08 0.00 0.00 0.00 175.76 174.21 2dnf s VAL 86 N 3.21 4.50 0.00 0.00 1.01 0.82 -3.09 120.40 126.85 2dnf s VAL 86 Ca 0.27 -0.13 0.00 0.00 0.00 0.00 0.00 61.98 62.12 2dnf s VAL 86 Cb -0.13 -3.04 0.00 0.00 0.00 0.00 0.00 36.38 33.21 2dnf s VAL 86 CO 0.20 0.43 0.00 0.61 0.00 0.00 0.00 175.10 176.35 2dnf n GLY 87 N 3.90 1.12 1.76 4.51 0.00 -1.26 0.43 105.19 115.64 2dnf n GLY 87 Ca -0.17 -1.01 -0.12 0.00 0.00 0.00 0.00 46.02 44.73 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 1.56 -4.15 1.61 1.74 -1.26 -4.32 116.66 111.84 2dnf n ARG 88 Ca 0.00 -1.10 -0.10 0.00 -0.77 0.00 0.00 57.85 55.87 2dnf n ARG 88 Cb 0.00 -1.43 -0.10 0.00 -1.02 0.00 0.00 32.46 29.91 2dnf n ARG 88 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2dnf s ASP 89 N 0.68 0.24 0.93 0.55 -1.08 -1.26 -5.16 116.67 111.57 2dnf s ASP 89 Ca 0.22 -1.23 -0.11 0.00 -0.52 0.00 0.00 52.55 50.91 2dnf s ASP 89 Cb 0.17 0.34 0.15 0.00 -1.46 0.00 0.00 42.92 42.12 2dnf s ASP 89 CO -0.00 -0.78 1.10 -0.54 0.52 0.00 0.00 175.17 175.47 2dnf s LYS 90 N -4.07 0.93 -0.35 4.34 3.01 -1.26 -4.98 119.74 117.36 2dnf s LYS 90 Ca 0.28 1.20 -0.16 0.00 -1.01 0.00 0.00 55.97 56.28 2dnf s LYS 90 Cb 0.07 -1.74 -0.01 0.00 -1.01 0.00 0.00 37.83 35.14 2dnf s LYS 90 CO 0.05 -2.58 0.42 0.12 0.51 0.00 0.00 175.35 173.87 2dnf s PHE 91 N -2.72 3.20 -0.62 3.18 2.19 -1.26 -4.94 117.98 117.01 2dnf s PHE 91 Ca 0.65 0.03 -0.27 0.00 0.33 0.00 0.00 56.93 57.68 2dnf s PHE 91 Cb -0.21 -2.77 0.00 0.00 -1.31 0.00 0.00 43.02 38.73 2dnf s PHE 91 CO 0.59 -0.48 1.56 0.15 1.83 0.00 0.00 175.22 178.86 2dnf s LYS 92 N 2.16 3.02 -0.79 10.12 1.02 -1.26 -4.90 119.74 129.10 2dnf s LYS 92 Ca 0.14 0.37 -0.24 0.00 0.02 0.00 0.00 55.97 56.26 2dnf s LYS 92 Cb -0.16 -4.24 -0.16 0.00 -0.52 0.00 0.00 37.83 32.75 2dnf s LYS 92 CO 0.12 -2.29 2.39 1.17 -0.92 0.00 0.00 175.35 175.82 2dnf n LYS 93 N 9.04 0.52 -4.22 1.68 0.00 -1.26 -4.73 118.16 119.20 2dnf n LYS 93 Ca 0.13 -0.64 -0.19 0.00 0.00 0.00 0.00 58.31 57.61 2dnf n LYS 93 Cb 0.50 -3.28 -0.12 0.00 0.00 0.00 0.00 35.03 32.14 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 12.54 2.32 -0.48 3.14 1.43 -1.26 -5.09 118.68 131.28 2dnf s LEU 94 Ca 1.00 -0.69 -0.27 0.00 -1.03 0.00 0.00 54.13 53.13 2dnf s LEU 94 Cb -0.25 -0.60 -0.02 0.00 0.03 0.00 0.00 46.19 45.35 2dnf s LEU 94 CO 0.17 -0.07 1.78 -2.16 0.23 0.00 0.00 176.35 176.30 2dnf s PRO 95 N -2.07 3.01 -0.21 1.29 0.04 -1.26 -4.80 135.00 130.99 2dnf s PRO 95 Ca 0.03 0.96 0.11 0.00 0.04 0.00 0.00 61.00 62.14 2dnf s PRO 95 Cb -0.08 -4.27 -0.20 0.00 0.04 0.00 0.00 34.50 29.98 2dnf s PRO 95 CO 0.03 -2.26 -0.04 0.66 0.04 0.00 0.00 177.00 175.43 2dnf n TYR 96 N 11.35 0.00 0.17 0.56 4.01 -1.26 -4.31 117.16 127.68 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 0.50 -0.93 0.50 0.00 -0.31 0.00 0.00 39.34 39.10 2dnf n TYR 96 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2dnf n GLY 97 N 2.03 -0.86 0.08 2.72 0.00 -1.26 -1.17 105.19 106.73 2dnf n GLY 97 Ca -0.35 0.16 -0.06 0.00 0.00 0.00 0.00 46.02 45.77 2dnf n GLY 97 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2dnf h GLU 98 N 0.00 0.00 0.00 1.61 4.39 -1.85 -3.28 114.58 115.45 2dnf h GLU 98 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2dnf h GLU 98 Cb 0.04 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.69 2dnf h GLU 98 CO 0.00 0.71 0.00 -0.07 -1.16 0.00 0.00 179.01 178.49 2dnf h LEU 99 N 0.00 0.00 0.19 1.33 3.38 -1.36 -3.27 115.31 115.57 2dnf h LEU 99 Ca -0.12 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 2dnf h LEU 99 Cb 1.81 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.56 2dnf h LEU 99 CO 0.10 0.00 -0.09 -0.07 0.09 0.00 0.00 178.44 178.47 2dnf h LEU 100 N 0.00 -0.21 -7.22 1.67 3.38 -1.61 -3.46 115.31 107.85 2dnf h LEU 100 Ca 0.00 -0.16 -0.20 0.00 0.09 0.00 0.00 57.88 57.62 2dnf h LEU 100 Cb 0.61 0.06 -0.31 0.00 0.09 0.00 0.00 40.66 41.11 2dnf h LEU 100 CO 0.00 0.31 -0.50 0.72 0.09 0.00 0.00 178.44 179.06 2dnf s PHE 101 N -2.71 -0.44 0.33 1.13 -0.12 -1.23 -5.11 117.98 109.82 2dnf s PHE 101 Ca -0.07 1.00 -0.22 0.00 -0.05 0.00 0.00 56.93 57.58 2dnf s PHE 101 Cb 0.00 0.02 -0.10 0.00 -0.63 0.00 0.00 43.02 42.31 2dnf s PHE 101 CO 0.26 -0.34 0.88 -0.51 -0.05 0.00 0.00 175.22 175.45 2dnf s ASP 102 N 2.18 7.11 -0.18 1.98 1.11 -1.25 -4.72 116.67 122.90 2dnf s ASP 102 Ca -0.01 1.65 0.07 0.00 0.18 0.00 0.00 52.55 54.43 2dnf s ASP 102 Cb -0.12 -2.51 -0.15 0.00 1.07 0.00 0.00 42.92 41.21 2dnf s ASP 102 CO -0.09 -0.14 -0.08 -0.24 1.18 0.00 0.00 175.17 175.80 2dnf n SER 103 N 0.15 1.93 0.00 0.27 2.88 -1.26 -5.08 113.62 112.51 2dnf n SER 103 Ca 0.03 -0.06 0.00 0.00 -1.33 0.00 0.00 58.87 57.51 2dnf n SER 103 Cb 0.52 0.21 0.00 0.00 -0.75 0.00 0.00 64.21 64.18 2dnf n SER 103 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dnf n GLY 104 N 2.34 3.34 3.56 0.46 0.00 -1.26 -5.06 105.19 108.58 2dnf n GLY 104 Ca -0.30 -0.29 -0.30 0.00 0.00 0.00 0.00 46.02 45.13 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 -2.36 2.58 -0.23 1.61 0.04 -1.26 -4.95 135.00 130.42 2dnf s PRO 105 Ca 0.00 -0.06 -0.11 0.00 0.04 0.00 0.00 61.00 60.87 2dnf s PRO 105 Cb 0.00 -4.89 -0.05 0.00 0.04 0.00 0.00 34.50 29.60 2dnf s PRO 105 CO 0.00 -3.21 0.16 -1.54 0.04 0.00 0.00 177.00 172.45 2dnf s SER 106 N 8.05 6.14 -0.24 6.66 1.04 -1.26 -5.07 113.70 129.02 2dnf s SER 106 Ca 0.69 0.14 0.01 0.00 0.48 0.00 0.00 55.95 57.28 2dnf s SER 106 Cb -0.08 -2.11 0.06 0.00 0.10 0.00 0.00 66.02 63.99 2dnf s SER 106 CO 0.05 0.08 -0.07 -0.94 0.98 0.00 0.00 173.24 173.33 2dnf s SER 107 N 0.95 3.99 0.00 7.02 1.04 -1.26 -5.29 113.70 120.15 2dnf s SER 107 Ca 0.08 -1.22 0.00 0.00 0.48 0.00 0.00 55.95 55.29 2dnf s SER 107 Cb -0.13 -1.29 0.00 0.00 0.10 0.00 0.00 66.02 64.69 2dnf s SER 107 CO 0.04 -0.21 0.19 0.61 0.98 0.00 0.00 173.24 174.85