#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 -0.18 -0.13 1.61 0.01 -1.26 -5.08 113.70 108.67 2dnf s SER 2 Ca 0.00 0.23 -0.15 0.00 1.31 0.00 0.00 55.95 57.34 2dnf s SER 2 Cb 0.00 0.39 -0.12 0.00 0.21 0.00 0.00 66.02 66.50 2dnf s SER 2 CO 0.00 -0.25 0.29 0.28 0.41 0.00 0.00 173.24 173.96 2dnf h SER 3 N 4.88 0.00 -4.88 2.44 0.02 -2.12 -3.50 113.55 110.39 2dnf h SER 3 Ca -0.28 -0.43 0.00 0.00 -0.84 0.00 0.00 61.79 60.24 2dnf h SER 3 Cb 1.19 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.68 2dnf h SER 3 CO 0.37 0.85 -1.01 0.61 -1.14 0.00 0.00 176.83 176.52 2dnf n GLY 4 N 1.65 -4.45 0.22 -3.77 0.00 -1.26 -5.00 105.19 92.59 2dnf n GLY 4 Ca -0.09 0.69 -0.22 0.00 0.00 0.00 0.00 46.02 46.40 2dnf n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2dnf n SER 5 N 1.90 1.85 -4.56 1.61 2.88 -1.26 -4.91 113.62 111.12 2dnf n SER 5 Ca -0.15 0.17 -0.40 0.00 -1.33 0.00 0.00 58.87 57.15 2dnf n SER 5 Cb 0.24 -0.59 -0.09 0.00 -0.75 0.00 0.00 64.21 63.01 2dnf n SER 5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2dnf s SER 6 N -6.83 6.20 -0.39 -3.46 1.04 -1.26 -5.00 113.70 104.00 2dnf s SER 6 Ca -0.32 -0.12 0.05 0.00 0.48 0.00 0.00 55.95 56.04 2dnf s SER 6 Cb 0.11 -2.21 0.16 0.00 0.10 0.00 0.00 66.02 64.19 2dnf s SER 6 CO 0.44 -0.33 0.47 -0.83 0.98 0.00 0.00 173.24 173.98 2dnf s GLY 7 N 1.72 -0.46 -0.19 7.32 0.00 -1.26 -5.12 107.32 109.32 2dnf s GLY 7 Ca 0.13 -0.57 -0.01 0.00 0.00 0.00 0.00 44.72 44.27 2dnf s GLY 7 CO 0.12 3.07 -0.13 0.50 0.00 0.00 0.00 173.10 176.65 2dnf s ARG 8 N 1.55 3.16 0.38 2.90 0.52 -1.26 -5.10 118.95 121.11 2dnf s ARG 8 Ca 0.17 -0.74 -0.27 0.00 -0.52 0.00 0.00 55.73 54.37 2dnf s ARG 8 Cb -0.11 -2.75 -0.11 0.00 0.52 0.00 0.00 34.95 32.50 2dnf s ARG 8 CO -0.04 -0.18 1.23 1.63 0.02 0.00 0.00 175.30 177.96 2dnf n LYS 9 N 4.63 1.91 -1.11 3.54 5.02 -1.26 -4.98 118.16 125.90 2dnf n LYS 9 Ca -0.20 0.67 -0.29 0.00 -2.02 0.00 0.00 58.31 56.47 2dnf n LYS 9 Cb 0.50 -2.28 0.22 0.00 -0.02 0.00 0.00 35.03 33.45 2dnf n LYS 9 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2dnf s PRO 10 N -2.01 -0.58 0.47 1.97 0.04 -1.26 -4.85 135.00 128.78 2dnf s PRO 10 Ca 0.59 0.16 0.34 0.00 0.04 0.00 0.00 61.00 62.14 2dnf s PRO 10 Cb -0.55 -1.65 1.49 0.00 0.04 0.00 0.00 34.50 33.83 2dnf s PRO 10 CO 0.60 -3.33 1.63 -0.07 0.04 0.00 0.00 177.00 175.87 2dnf h LEU 11 N -2.32 0.18 -8.63 -3.56 3.38 -2.09 -3.37 115.31 98.91 2dnf h LEU 11 Ca -0.49 0.10 -0.48 0.00 0.09 0.00 0.00 57.88 57.10 2dnf h LEU 11 Cb 1.31 0.09 0.01 0.00 0.09 0.00 0.00 40.66 42.15 2dnf h LEU 11 CO 0.44 -0.12 1.63 0.00 0.09 0.00 0.00 178.44 180.48 2dnf n GLN 12 N -4.49 1.11 -2.79 1.13 6.02 -1.26 -4.93 117.38 112.17 2dnf n GLN 12 Ca 0.37 0.05 -0.40 0.00 -0.01 0.00 0.00 57.00 57.02 2dnf n GLN 12 Cb 1.52 -3.38 -0.06 0.00 1.02 0.00 0.00 30.24 29.34 2dnf n GLN 12 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 2dnf s GLU 13 N 8.09 4.79 1.03 -1.09 2.12 -1.26 -4.67 118.70 127.72 2dnf s GLU 13 Ca 0.99 1.43 -0.13 0.00 0.36 0.00 0.00 54.97 57.62 2dnf s GLU 13 Cb -0.22 -3.24 0.20 0.00 0.26 0.00 0.00 34.13 31.13 2dnf s GLU 13 CO 0.28 0.51 1.10 -1.25 -0.54 0.00 0.00 175.26 175.35 2dnf s PRO 14 N -1.25 0.21 -0.01 4.30 0.04 -1.26 -4.56 135.00 132.47 2dnf s PRO 14 Ca 0.41 0.44 0.01 0.00 0.04 0.00 0.00 61.00 61.89 2dnf s PRO 14 Cb -0.25 -1.72 0.01 0.00 0.04 0.00 0.00 34.50 32.58 2dnf s PRO 14 CO 0.30 -2.86 -0.02 0.00 0.04 0.00 0.00 177.00 174.46 2dnf s THR 16 N 0.35 5.31 0.32 0.00 2.01 -1.26 -0.86 115.64 121.51 2dnf s THR 16 Ca -0.03 0.36 0.05 0.00 0.31 0.00 0.00 61.69 62.38 2dnf s THR 16 Cb -0.06 -3.58 -0.06 0.00 0.01 0.00 0.00 72.50 68.81 2dnf s THR 16 CO -0.01 0.33 0.00 0.27 -0.69 0.00 0.00 174.62 174.52 2dnf s ILE 17 N 1.04 1.50 -0.13 1.82 -4.36 -1.01 -2.07 121.20 117.99 2dnf s ILE 17 Ca 0.12 -2.05 -0.01 0.00 -0.26 0.00 0.00 60.65 58.45 2dnf s ILE 17 Cb -0.14 -2.67 -0.02 0.00 1.25 0.00 0.00 42.46 40.88 2dnf s ILE 17 CO 0.05 -0.13 -0.11 -0.36 0.24 0.00 0.00 174.94 174.63 2dnf s PHE 18 N -3.09 2.86 0.10 1.37 0.08 0.15 -2.17 117.98 117.27 2dnf s PHE 18 Ca 0.33 -0.51 0.08 0.00 0.12 0.00 0.00 56.93 56.95 2dnf s PHE 18 Cb 0.07 -1.85 -0.03 0.00 -0.57 0.00 0.00 43.02 40.63 2dnf s PHE 18 CO 0.14 -0.13 -0.20 -0.51 -0.10 0.00 0.00 175.22 174.43 2dnf s LEU 19 N 0.24 2.30 0.20 -0.37 1.43 -1.25 0.53 118.68 121.76 2dnf s LEU 19 Ca -0.07 -0.68 0.03 0.00 -1.03 0.00 0.00 54.13 52.38 2dnf s LEU 19 Cb -0.15 -0.83 -0.05 0.00 0.03 0.00 0.00 46.19 45.19 2dnf s LEU 19 CO 0.05 0.04 -0.02 -0.63 0.23 0.00 0.00 176.35 176.01 2dnf s ILE 20 N -1.19 0.96 -0.33 -0.59 1.01 -0.19 0.88 121.20 121.75 2dnf s ILE 20 Ca 0.05 -2.02 -0.21 0.00 0.00 0.00 0.00 60.65 58.47 2dnf s ILE 20 Cb -0.10 -2.19 -0.00 0.00 0.01 0.00 0.00 42.46 40.18 2dnf s ILE 20 CO 0.04 -0.45 0.66 0.00 0.00 0.00 0.00 174.94 175.19 2dnf s ALA 21 N -3.47 3.49 -0.20 9.38 0.00 -1.26 -0.51 121.76 129.19 2dnf s ALA 21 Ca 0.25 -0.71 -0.36 0.00 0.00 0.00 0.00 51.96 51.13 2dnf s ALA 21 Cb 0.05 -3.17 -0.13 0.00 0.00 0.00 0.00 23.12 19.88 2dnf s ALA 21 CO 0.06 -1.23 1.90 0.27 0.00 0.00 0.00 175.76 176.76 2dnf n ASN 22 N 6.02 2.88 0.00 0.00 6.94 -1.12 -0.02 115.26 129.96 2dnf n ASN 22 Ca -0.00 0.89 0.00 0.00 -0.02 0.00 0.00 54.58 55.45 2dnf n ASN 22 Cb 0.49 -1.28 0.00 0.00 -2.36 0.00 0.00 39.78 36.62 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 4.74 3.07 3.61 4.83 0.00 -1.26 -4.95 105.19 115.23 2dnf n GLY 23 Ca 0.27 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.19 6.65 -0.18 1.61 -1.08 0.98 -4.90 116.67 118.57 2dnf s ASP 24 Ca 0.00 0.58 0.15 0.00 -0.52 0.00 0.00 52.55 52.76 2dnf s ASP 24 Cb 0.00 -2.42 0.38 0.00 -1.46 0.00 0.00 42.92 39.42 2dnf s ASP 24 CO 0.00 -0.71 1.23 0.18 0.52 0.00 0.00 175.17 176.39 2dnf n LEU 25 N 6.41 2.79 -0.02 -1.34 7.99 -1.26 -4.68 117.00 126.90 2dnf n LEU 25 Ca 0.05 -3.42 -0.03 0.00 -0.01 0.00 0.00 56.01 52.59 2dnf n LEU 25 Cb 0.48 -0.49 -0.01 0.00 -0.11 0.00 0.00 43.42 43.28 2dnf n LEU 25 CO 0.53 0.99 -0.62 -0.38 -1.51 0.00 0.00 177.39 176.41 2dnf n ILE 26 N -1.21 0.19 -3.65 -0.08 -0.00 -1.26 -4.99 119.36 108.36 2dnf n ILE 26 Ca 0.19 -0.06 -0.36 0.00 -0.00 0.00 0.00 62.75 62.52 2dnf n ILE 26 Cb 0.72 -1.18 -0.06 0.00 -0.00 0.00 0.00 39.64 39.12 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 -4.92 6.62 0.74 4.38 0.02 -1.26 -5.08 114.94 115.43 2dnf s ASN 27 Ca -0.05 0.73 0.00 0.00 -1.02 0.00 0.00 52.86 52.53 2dnf s ASN 27 Cb 0.02 -2.16 0.00 0.00 0.02 0.00 0.00 41.25 39.13 2dnf s ASN 27 CO 0.07 0.29 0.00 -0.81 0.02 0.00 0.00 177.10 176.66 2dnf n PRO 28 N 1.46 -0.49 -1.72 -0.60 -0.04 -1.26 -4.86 135.00 127.49 2dnf n PRO 28 Ca -0.13 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.07 2dnf n PRO 28 Cb 0.53 0.00 0.19 0.00 -0.04 0.00 0.00 33.50 34.17 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 -1.38 -3.88 0.55 0.00 -1.26 -4.75 120.51 106.80 2dnf n ALA 29 Ca 0.00 -1.57 -0.30 0.00 0.00 0.00 0.00 53.44 51.57 2dnf n ALA 29 Cb 0.00 -0.08 -0.15 0.00 0.00 0.00 0.00 19.45 19.23 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 -5.39 4.33 -0.78 0.00 0.01 0.26 -4.88 113.70 107.25 2dnf s SER 30 Ca 0.68 -2.18 -0.24 0.00 1.31 0.00 0.00 55.95 55.53 2dnf s SER 30 Cb -0.02 -1.31 -0.17 0.00 0.21 0.00 0.00 66.02 64.73 2dnf s SER 30 CO 0.48 -0.36 2.41 -1.14 0.41 0.00 0.00 173.24 175.05 2dnf n ARG 31 N 4.18 0.50 -5.19 12.44 0.63 -1.26 -3.77 116.66 124.20 2dnf n ARG 31 Ca 0.03 -0.30 -0.32 0.00 -0.92 0.00 0.00 57.85 56.34 2dnf n ARG 31 Cb 0.40 -2.75 -0.17 0.00 0.45 0.00 0.00 32.46 30.39 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 10.31 2.13 0.31 6.15 2.96 -0.92 -4.98 118.68 134.63 2dnf s LEU 32 Ca 1.09 -0.54 -0.13 0.00 -0.22 0.00 0.00 54.13 54.32 2dnf s LEU 32 Cb -0.47 -1.42 -0.08 0.00 0.50 0.00 0.00 46.19 44.72 2dnf s LEU 32 CO 0.29 0.16 0.69 -0.22 -1.32 0.00 0.00 176.35 175.96 2dnf s LEU 33 N 0.34 4.06 -0.10 -0.68 2.96 -1.26 -2.39 118.68 121.60 2dnf s LEU 33 Ca -0.18 1.17 -0.01 0.00 -0.22 0.00 0.00 54.13 54.89 2dnf s LEU 33 Cb -0.18 -3.97 0.03 0.00 0.50 0.00 0.00 46.19 42.56 2dnf s LEU 33 CO 0.09 -0.19 -0.04 -0.63 -1.32 0.00 0.00 176.35 174.25 2dnf s ILE 34 N -1.99 0.77 0.38 6.68 1.01 -0.04 -4.97 121.20 123.04 2dnf s ILE 34 Ca 0.52 -0.16 -0.26 0.00 0.00 0.00 0.00 60.65 60.75 2dnf s ILE 34 Cb -0.10 -0.87 -0.09 0.00 0.01 0.00 0.00 42.46 41.41 2dnf s ILE 34 CO 0.20 0.29 1.20 -2.16 0.00 0.00 0.00 174.94 174.47 2dnf s PRO 35 N 1.81 4.15 0.58 2.79 0.04 -1.26 -2.39 135.00 140.72 2dnf s PRO 35 Ca 0.05 1.93 0.29 0.00 0.04 0.00 0.00 61.00 63.31 2dnf s PRO 35 Cb -0.13 -2.80 1.41 0.00 0.04 0.00 0.00 34.50 33.03 2dnf s PRO 35 CO -0.07 -0.27 1.81 -0.09 0.04 0.00 0.00 177.00 178.42 2dnf h ARG 36 N 2.87 0.00 -0.07 4.56 9.65 -1.83 0.70 114.38 130.25 2dnf h ARG 36 Ca -0.49 0.00 -0.12 0.00 -1.10 0.00 0.00 59.98 58.28 2dnf h ARG 36 Cb 1.23 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.80 2dnf h ARG 36 CO 0.63 0.00 -0.48 -0.22 2.80 0.00 0.00 179.97 182.70 2dnf h LYS 37 N 0.00 0.18 0.06 0.20 3.11 -1.93 -3.19 116.57 115.01 2dnf h LYS 37 Ca 0.30 -0.10 -0.32 0.00 -2.81 0.00 0.00 60.65 57.72 2dnf h LYS 37 Cb 1.54 0.00 -0.03 0.00 -1.00 0.00 0.00 32.23 32.75 2dnf h LYS 37 CO -0.00 0.63 -1.78 1.15 -2.81 0.00 0.00 179.45 176.63 2dnf h THR 38 N 0.15 0.81 -0.24 1.00 2.02 -0.03 -3.34 112.91 113.27 2dnf h THR 38 Ca 0.01 -2.59 0.07 0.00 0.77 0.00 0.00 66.41 64.67 2dnf h THR 38 Cb 0.91 2.50 -0.01 0.00 -1.74 0.00 0.00 68.15 69.81 2dnf h THR 38 CO 0.07 0.69 0.33 -0.07 0.37 0.00 0.00 175.52 176.91 2dnf h LEU 39 N 0.04 0.00 0.11 2.58 3.38 -0.99 0.11 115.31 120.53 2dnf h LEU 39 Ca -0.33 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.36 2dnf h LEU 39 Cb 2.02 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.78 2dnf h LEU 39 CO 0.09 0.00 -1.25 -0.55 0.09 0.00 0.00 178.44 176.82 2dnf h ASN 40 N 0.00 0.58 -3.73 -0.43 7.08 -1.67 -3.39 115.58 114.02 2dnf h ASN 40 Ca 0.12 -0.59 -0.63 0.00 -3.08 0.00 0.00 56.30 52.12 2dnf h ASN 40 Cb 0.78 -0.19 -0.15 0.00 -2.08 0.00 0.00 38.32 36.68 2dnf h ASN 40 CO -0.00 1.44 -0.39 -1.10 -2.08 0.00 0.00 177.43 175.30 2dnf s GLN 41 N -2.77 4.02 0.28 4.14 -1.52 0.40 -4.91 119.66 119.30 2dnf s GLN 41 Ca -0.06 -0.14 0.14 0.00 -1.95 0.00 0.00 55.36 53.35 2dnf s GLN 41 Cb 0.07 -3.62 0.30 0.00 -0.22 0.00 0.00 33.01 29.54 2dnf s GLN 41 CO 0.90 -0.14 1.56 2.35 -0.25 0.00 0.00 175.29 179.71 2dnf h TRP 42 N 8.00 0.00 -0.00 0.91 -0.00 -1.85 -2.85 115.95 120.16 2dnf h TRP 42 Ca -0.35 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 58.54 2dnf h TRP 42 Cb 1.17 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 30.33 2dnf h TRP 42 CO 0.73 0.58 -0.05 -3.47 -0.00 0.00 0.00 178.44 176.23 2dnf n ASP 43 N -3.49 0.06 -0.07 2.65 2.03 -1.26 -2.46 116.55 114.01 2dnf n ASP 43 Ca 0.00 0.33 -0.11 0.00 0.52 0.00 0.00 54.79 55.53 2dnf n ASP 43 Cb 0.66 -0.40 -0.15 0.00 -0.72 0.00 0.00 41.12 40.52 2dnf n ASP 43 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 2dnf n HIS 44 N -1.46 0.43 0.11 -0.67 8.25 -1.11 -3.81 115.22 116.96 2dnf n HIS 44 Ca 0.08 0.14 -0.19 0.00 -0.26 0.00 0.00 57.72 57.49 2dnf n HIS 44 Cb 0.33 -1.08 -0.15 0.00 1.12 0.00 0.00 29.99 30.21 2dnf n HIS 44 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 2dnf h VAL 45 N 0.00 1.35 0.00 1.59 3.04 -1.53 -3.17 116.25 117.54 2dnf h VAL 45 Ca -0.45 -2.89 0.00 0.00 -1.01 0.00 0.00 66.70 62.35 2dnf h VAL 45 Cb 2.12 2.94 0.00 0.00 -2.01 0.00 0.00 31.29 34.34 2dnf h VAL 45 CO 0.04 0.86 0.00 0.18 -1.01 0.00 0.00 177.57 177.64 2dnf n LEU 46 N -3.58 0.51 0.07 3.16 7.99 -1.03 -1.41 117.00 122.71 2dnf n LEU 46 Ca -0.13 0.59 0.06 0.00 -0.01 0.00 0.00 56.01 56.52 2dnf n LEU 46 Cb 1.05 -0.48 -0.04 0.00 -0.11 0.00 0.00 43.42 43.85 2dnf n LEU 46 CO 0.55 -0.32 -0.12 1.67 -1.51 0.00 0.00 177.39 177.66 2dnf n GLN 47 N -2.02 0.61 -0.06 3.23 -0.06 -1.22 -3.73 117.38 114.13 2dnf n GLN 47 Ca 0.04 0.17 -0.08 0.00 -2.00 0.00 0.00 57.00 55.13 2dnf n GLN 47 Cb 0.29 -1.82 -0.15 0.00 -4.06 0.00 0.00 30.24 24.50 2dnf n GLN 47 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 2dnf n MET 48 N -2.77 0.67 -0.14 3.69 0.00 -1.07 -4.32 117.12 113.18 2dnf n MET 48 Ca -0.04 0.10 -0.10 0.00 0.00 0.00 0.00 57.70 57.65 2dnf n MET 48 Cb 0.68 -1.63 -0.01 0.00 0.00 0.00 0.00 33.22 32.26 2dnf n MET 48 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 175.97 175.73 2dnf h VAL 49 N 0.00 1.24 -0.66 3.17 3.04 -1.39 -3.05 116.25 118.60 2dnf h VAL 49 Ca -0.42 -0.87 0.12 0.00 -1.01 0.00 0.00 66.70 64.51 2dnf h VAL 49 Cb 2.09 1.04 -0.09 0.00 -2.01 0.00 0.00 31.29 32.33 2dnf h VAL 49 CO 0.05 0.30 0.22 0.74 -1.01 0.00 0.00 177.57 177.87 2dnf h THR 50 N 0.50 0.69 -0.45 3.17 2.02 -1.76 0.54 112.91 117.63 2dnf h THR 50 Ca 0.12 -0.13 0.13 0.00 0.77 0.00 0.00 66.41 67.30 2dnf h THR 50 Cb 0.37 0.28 -0.02 0.00 -1.74 0.00 0.00 68.15 67.04 2dnf h THR 50 CO 0.01 0.07 0.49 -0.33 0.37 0.00 0.00 175.52 176.13 2dnf h GLU 51 N 0.38 0.00 0.00 6.66 5.08 -1.72 -0.07 114.58 124.91 2dnf h GLU 51 Ca 0.35 0.00 -0.35 0.00 -1.00 0.00 0.00 59.36 58.36 2dnf h GLU 51 Cb 0.50 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.69 2dnf h GLU 51 CO -0.37 0.00 -2.30 1.63 -1.00 0.00 0.00 179.01 176.96 2dnf n LYS 52 N -3.68 0.90 -3.90 2.33 4.76 0.69 -4.77 118.16 114.50 2dnf n LYS 52 Ca 0.08 -0.01 -0.29 0.00 -2.87 0.00 0.00 58.31 55.22 2dnf n LYS 52 Cb 0.67 -1.49 -0.13 0.00 -1.84 0.00 0.00 35.03 32.25 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 -2.46 2.53 -0.59 -0.18 -1.09 0.16 -4.96 121.20 114.61 2dnf s ILE 53 Ca -0.10 -3.55 -0.25 0.00 -2.23 0.00 0.00 60.65 54.52 2dnf s ILE 53 Cb 0.06 -2.72 0.04 0.00 -1.58 0.00 0.00 42.46 38.26 2dnf s ILE 53 CO 0.77 -0.89 1.04 -0.89 -1.23 0.00 0.00 174.94 173.74 2dnf s THR 54 N -0.61 4.22 0.72 2.92 2.01 -1.08 -4.41 115.64 119.41 2dnf s THR 54 Ca 0.20 0.35 -0.11 0.00 0.31 0.00 0.00 61.69 62.44 2dnf s THR 54 Cb -0.18 -4.64 0.02 0.00 0.01 0.00 0.00 72.50 67.71 2dnf s THR 54 CO -0.06 -1.29 1.07 -0.76 -0.69 0.00 0.00 174.62 172.90 2dnf s LEU 55 N 4.38 2.93 0.10 4.42 1.43 -0.85 -4.98 118.68 126.11 2dnf s LEU 55 Ca 0.33 1.40 -0.17 0.00 -1.03 0.00 0.00 54.13 54.66 2dnf s LEU 55 Cb -0.11 -4.20 -0.07 0.00 0.03 0.00 0.00 46.19 41.83 2dnf s LEU 55 CO 0.19 -1.52 1.50 -0.09 0.23 0.00 0.00 176.35 176.65 2dnf h ARG 56 N -0.78 0.57 0.00 1.70 2.43 -1.95 -2.90 114.38 113.45 2dnf h ARG 56 Ca -0.45 -0.21 -0.05 0.00 -0.81 0.00 0.00 59.98 58.45 2dnf h ARG 56 Cb 1.23 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.74 2dnf h ARG 56 CO 0.59 0.76 -0.26 1.03 -1.51 0.00 0.00 179.97 180.59 2dnf h SER 57 N 0.34 0.00 0.00 -3.80 0.87 -1.99 -3.48 113.55 105.49 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 0.54 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.50 2dnf h SER 57 CO 0.03 0.26 0.00 0.61 -0.53 0.00 0.00 176.83 177.20 2dnf n GLY 58 N -0.55 -0.02 3.91 5.77 0.00 -1.10 -5.02 105.19 108.18 2dnf n GLY 58 Ca -0.02 -0.18 -0.20 0.00 0.00 0.00 0.00 46.02 45.62 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 4.05 0.39 4.61 0.00 -1.26 -2.00 121.76 126.55 2dnf s ALA 59 Ca 0.00 -1.65 -0.10 0.00 0.00 0.00 0.00 51.96 50.21 2dnf s ALA 59 Cb 0.00 -1.31 -0.06 0.00 0.00 0.00 0.00 23.12 21.75 2dnf s ALA 59 CO 0.00 -0.07 0.75 0.54 0.00 0.00 0.00 175.76 176.97 2dnf s VAL 60 N -2.31 4.81 0.00 0.00 0.11 -1.26 -4.23 120.40 117.52 2dnf s VAL 60 Ca 0.45 0.55 0.00 0.00 -2.93 0.00 0.00 61.98 60.04 2dnf s VAL 60 Cb -0.07 -3.74 0.00 0.00 -1.53 0.00 0.00 36.38 31.05 2dnf s VAL 60 CO 0.29 -0.51 0.00 1.41 -3.33 0.00 0.00 175.10 172.96 2dnf n HIS 61 N -1.29 0.00 -4.38 1.54 8.25 -0.20 -4.89 115.22 114.25 2dnf n HIS 61 Ca 0.02 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.29 2dnf n HIS 61 Cb 0.54 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.55 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 -1.39 1.47 0.18 -0.41 0.52 -0.54 -5.02 118.95 113.76 2dnf s ARG 62 Ca 0.00 -1.77 0.11 0.00 -0.52 0.00 0.00 55.73 53.55 2dnf s ARG 62 Cb 0.00 -0.76 -0.04 0.00 0.52 0.00 0.00 34.95 34.66 2dnf s ARG 62 CO 0.00 -0.11 -0.23 -0.51 0.02 0.00 0.00 175.30 174.47 2dnf s LEU 63 N -3.38 2.42 -0.18 2.53 2.01 -1.26 -1.21 118.68 119.61 2dnf s LEU 63 Ca 0.31 -0.85 -0.10 0.00 0.01 0.00 0.00 54.13 53.51 2dnf s LEU 63 Cb 0.06 -1.11 0.06 0.00 0.01 0.00 0.00 46.19 45.22 2dnf s LEU 63 CO 0.11 0.10 0.43 -0.31 1.01 0.00 0.00 176.35 177.69 2dnf s TYR 64 N -1.66 -0.62 0.94 0.29 1.51 0.18 -2.90 117.35 115.08 2dnf s TYR 64 Ca 0.19 1.33 -0.16 0.00 -1.01 0.00 0.00 57.07 57.42 2dnf s TYR 64 Cb -0.08 0.28 0.23 0.00 -0.11 0.00 0.00 41.96 42.28 2dnf s TYR 64 CO 0.09 -0.35 1.00 0.25 -1.11 0.00 0.00 175.55 175.43 2dnf n THR 65 N 4.17 0.00 0.49 -0.71 -2.24 -1.13 0.19 114.28 115.05 2dnf n THR 65 Ca -0.22 -0.58 0.13 0.00 -2.27 0.00 0.00 64.05 61.11 2dnf n THR 65 Cb 0.56 -1.36 0.45 0.00 -2.10 0.00 0.00 70.33 67.87 2dnf n THR 65 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 2dnf h LEU 66 N 0.00 0.00 0.00 3.22 3.38 -1.93 -2.91 115.31 117.07 2dnf h LEU 66 Ca -0.35 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.62 2dnf h LEU 66 Cb 1.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.77 2dnf h LEU 66 CO 0.24 0.00 -1.09 -0.62 0.09 0.00 0.00 178.44 177.06 2dnf n GLU 67 N -2.35 0.59 0.00 1.13 -0.58 -1.26 -4.85 120.64 113.32 2dnf n GLU 67 Ca 0.04 0.09 0.00 0.00 -0.42 0.00 0.00 57.16 56.87 2dnf n GLU 67 Cb 0.35 -1.79 0.00 0.00 -0.57 0.00 0.00 31.44 29.43 2dnf n GLU 67 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2dnf n GLY 68 N 1.20 1.38 3.82 0.62 0.00 -1.10 -5.11 105.19 106.00 2dnf n GLY 68 Ca -0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.05 2.67 -0.16 1.61 2.47 -1.26 -4.82 119.74 120.20 2dnf s LYS 69 Ca 0.00 0.78 0.01 0.00 -1.56 0.00 0.00 55.97 55.20 2dnf s LYS 69 Cb 0.00 -1.97 0.01 0.00 -1.46 0.00 0.00 37.83 34.40 2dnf s LYS 69 CO 0.00 -1.24 -0.18 -1.17 0.16 0.00 0.00 175.35 172.92 2dnf s LEU 70 N -5.59 2.30 -0.86 5.43 2.96 -1.26 -2.84 118.68 118.82 2dnf s LEU 70 Ca 0.59 -0.55 -0.02 0.00 -0.22 0.00 0.00 54.13 53.92 2dnf s LEU 70 Cb -0.14 -1.51 0.21 0.00 0.50 0.00 0.00 46.19 45.25 2dnf s LEU 70 CO 0.54 0.06 0.74 -0.69 -1.32 0.00 0.00 176.35 175.69 2dnf s VAL 71 N 0.94 4.34 0.36 1.68 1.01 -1.14 -4.87 120.40 122.71 2dnf s VAL 71 Ca -0.03 -3.72 0.24 0.00 0.00 0.00 0.00 61.98 58.47 2dnf s VAL 71 Cb -0.15 -3.70 0.25 0.00 0.00 0.00 0.00 36.38 32.78 2dnf s VAL 71 CO -0.03 -1.06 1.99 -0.33 0.00 0.00 0.00 175.10 175.66 2dnf h GLU 72 N 6.18 0.00 -4.90 2.72 5.08 -1.97 -3.38 114.58 118.31 2dnf h GLU 72 Ca 0.14 0.00 -0.36 0.00 -1.00 0.00 0.00 59.36 58.14 2dnf h GLU 72 Cb 0.84 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 29.94 2dnf h GLU 72 CO 0.84 0.17 -0.61 0.45 -1.00 0.00 0.00 179.01 178.86 2dnf s SER 73 N -6.29 1.27 -0.02 1.42 0.15 -1.26 -4.99 113.70 103.97 2dnf s SER 73 Ca -0.02 -1.39 0.01 0.00 0.70 0.00 0.00 55.95 55.24 2dnf s SER 73 Cb 0.13 0.16 0.06 0.00 -1.71 0.00 0.00 66.02 64.66 2dnf s SER 73 CO 0.62 -0.73 0.62 0.61 1.20 0.00 0.00 173.24 175.55 2dnf n GLY 74 N -0.48 1.64 0.09 9.45 0.00 -1.26 -3.43 105.19 111.19 2dnf n GLY 74 Ca -0.00 -0.06 0.11 0.00 0.00 0.00 0.00 46.02 46.07 2dnf n GLY 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dnf n ALA 75 N 0.07 2.72 -1.05 4.61 0.00 -1.26 -3.93 120.51 121.66 2dnf n ALA 75 Ca 0.02 -0.29 -0.04 0.00 0.00 0.00 0.00 53.44 53.13 2dnf n ALA 75 Cb 0.33 -1.05 0.31 0.00 0.00 0.00 0.00 19.45 19.04 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 -2.47 3.72 -3.21 0.00 1.02 -1.22 -4.97 120.64 113.51 2dnf n GLU 76 Ca 0.00 -3.09 -0.21 0.00 -0.02 0.00 0.00 57.16 53.84 2dnf n GLU 76 Cb 0.53 -2.19 0.00 0.00 -0.02 0.00 0.00 31.44 29.76 2dnf n GLU 76 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2dnf s LEU 77 N -2.98 3.79 0.24 -4.62 1.43 -1.25 -4.99 118.68 110.30 2dnf s LEU 77 Ca 0.54 0.01 -0.13 0.00 -1.03 0.00 0.00 54.13 53.52 2dnf s LEU 77 Cb 0.43 -2.92 -0.00 0.00 0.03 0.00 0.00 46.19 43.72 2dnf s LEU 77 CO 0.13 -0.59 0.46 -0.70 0.23 0.00 0.00 176.35 175.88 2dnf s GLU 78 N -4.37 1.50 -0.01 1.70 2.12 -1.26 -5.12 118.70 113.26 2dnf s GLU 78 Ca 0.47 -1.22 -0.25 0.00 0.36 0.00 0.00 54.97 54.33 2dnf s GLU 78 Cb -0.10 0.47 -0.04 0.00 0.26 0.00 0.00 34.13 34.71 2dnf s GLU 78 CO 0.34 -0.62 0.78 0.54 -0.54 0.00 0.00 175.26 175.76 2dnf s ASN 79 N -3.01 7.15 -1.34 -1.70 4.22 -1.26 -3.74 114.94 115.26 2dnf s ASN 79 Ca 0.21 1.38 0.00 0.00 -2.14 0.00 0.00 52.86 52.31 2dnf s ASN 79 Cb -0.00 -2.46 0.00 0.00 1.28 0.00 0.00 41.25 40.06 2dnf s ASN 79 CO 0.08 -0.09 0.00 0.61 -2.04 0.00 0.00 177.10 175.66 2dnf n GLY 80 N 2.78 -0.21 3.88 0.45 0.00 -0.88 -5.00 105.19 106.20 2dnf n GLY 80 Ca -0.00 -0.23 -0.33 0.00 0.00 0.00 0.00 46.02 45.46 2dnf n GLY 80 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2dnf s GLN 81 N -4.73 3.34 -0.16 1.61 -0.44 -1.25 -4.87 119.66 113.16 2dnf s GLN 81 Ca 0.00 -0.40 -0.12 0.00 -2.50 0.00 0.00 55.36 52.35 2dnf s GLN 81 Cb 0.00 -3.02 -0.05 0.00 -1.64 0.00 0.00 33.01 28.30 2dnf s GLN 81 CO 0.00 0.65 0.22 -0.06 0.50 0.00 0.00 175.29 176.60 2dnf s PHE 82 N -1.34 3.47 0.37 1.67 0.40 -1.26 -0.67 117.98 120.62 2dnf s PHE 82 Ca 0.28 0.51 0.04 0.00 -0.60 0.00 0.00 56.93 57.16 2dnf s PHE 82 Cb -0.13 -2.22 -0.04 0.00 0.51 0.00 0.00 43.02 41.15 2dnf s PHE 82 CO 0.20 0.34 0.12 0.71 0.70 0.00 0.00 175.22 177.29 2dnf s TYR 83 N 0.15 1.79 -0.06 0.36 2.02 0.19 -4.17 117.35 117.62 2dnf s TYR 83 Ca 0.14 -1.22 0.02 0.00 -0.37 0.00 0.00 57.07 55.64 2dnf s TYR 83 Cb -0.12 -1.13 0.01 0.00 -0.40 0.00 0.00 41.96 40.32 2dnf s TYR 83 CO 0.02 -0.26 -0.12 0.08 -1.57 0.00 0.00 175.55 173.70 2dnf s VAL 84 N -3.32 1.08 -0.48 0.71 1.01 0.50 -1.03 120.40 118.87 2dnf s VAL 84 Ca 0.29 -0.45 -0.22 0.00 0.00 0.00 0.00 61.98 61.60 2dnf s VAL 84 Cb 0.05 -0.99 0.03 0.00 0.00 0.00 0.00 36.38 35.47 2dnf s VAL 84 CO 0.15 0.34 0.76 0.00 0.00 0.00 0.00 175.10 176.36 2dnf s ALA 85 N 0.65 3.29 -0.19 5.51 0.00 0.33 -0.65 121.76 130.70 2dnf s ALA 85 Ca -0.14 -1.22 -0.07 0.00 0.00 0.00 0.00 51.96 50.54 2dnf s ALA 85 Cb -0.15 -3.48 -0.04 0.00 0.00 0.00 0.00 23.12 19.45 2dnf s ALA 85 CO 0.03 -2.01 0.05 0.08 0.00 0.00 0.00 175.76 173.91 2dnf s VAL 86 N 3.23 4.66 0.00 0.00 1.01 -0.35 -2.81 120.40 126.15 2dnf s VAL 86 Ca 0.26 -0.08 0.00 0.00 0.00 0.00 0.00 61.98 62.16 2dnf s VAL 86 Cb -0.14 -3.10 0.00 0.00 0.00 0.00 0.00 36.38 33.14 2dnf s VAL 86 CO 0.19 0.45 0.00 0.61 0.00 0.00 0.00 175.10 176.36 2dnf n GLY 87 N 3.66 1.00 1.99 4.51 0.00 -1.26 -1.03 105.19 114.05 2dnf n GLY 87 Ca -0.17 -1.55 -0.08 0.00 0.00 0.00 0.00 46.02 44.22 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 1.47 -3.72 1.61 1.74 -1.26 -4.51 116.66 112.00 2dnf n ARG 88 Ca 0.00 -0.65 -0.13 0.00 -0.77 0.00 0.00 57.85 56.30 2dnf n ARG 88 Cb 0.00 -1.74 -0.03 0.00 -1.02 0.00 0.00 32.46 29.67 2dnf n ARG 88 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2dnf n ASP 89 N 2.38 -1.20 -4.79 0.55 2.03 -1.26 -5.15 116.55 109.11 2dnf n ASP 89 Ca 0.28 -2.69 -0.36 0.00 0.52 0.00 0.00 54.79 52.54 2dnf n ASP 89 Cb 0.68 2.25 -0.04 0.00 -0.72 0.00 0.00 41.12 43.29 2dnf n ASP 89 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 2dnf s LYS 90 N -2.72 4.12 -0.75 -0.67 3.01 -1.26 -4.97 119.74 116.50 2dnf s LYS 90 Ca 0.26 1.47 -0.27 0.00 -1.01 0.00 0.00 55.97 56.42 2dnf s LYS 90 Cb -0.01 -2.47 0.03 0.00 -1.01 0.00 0.00 37.83 34.38 2dnf s LYS 90 CO 0.19 -0.17 1.30 0.12 0.51 0.00 0.00 175.35 177.29 2dnf s PHE 91 N -1.73 2.29 -0.98 3.18 5.36 -1.26 -4.92 117.98 119.93 2dnf s PHE 91 Ca 0.59 -0.08 -0.24 0.00 -0.96 0.00 0.00 56.93 56.24 2dnf s PHE 91 Cb -0.21 -4.63 -0.16 0.00 -0.34 0.00 0.00 43.02 37.69 2dnf s PHE 91 CO 0.26 -2.07 1.94 1.63 -1.46 0.00 0.00 175.22 175.51 2dnf n LYS 92 N 9.35 1.14 -1.72 10.12 5.02 -1.26 -4.88 118.16 135.93 2dnf n LYS 92 Ca 0.05 -2.06 -0.64 0.00 -2.02 0.00 0.00 58.31 53.64 2dnf n LYS 92 Cb 0.49 -3.50 -0.09 0.00 -0.02 0.00 0.00 35.03 31.92 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 7.96 0.41 -3.80 1.97 4.81 -1.26 -4.50 118.16 123.75 2dnf n LYS 93 Ca 0.45 0.15 -0.11 0.00 -0.87 0.00 0.00 58.31 57.93 2dnf n LYS 93 Cb 0.45 -1.71 -0.08 0.00 0.02 0.00 0.00 35.03 33.71 2dnf n LYS 93 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 2dnf s LEU 94 N 2.98 1.14 -0.50 3.14 1.43 -1.26 -5.10 118.68 120.51 2dnf s LEU 94 Ca 1.02 -0.31 -0.27 0.00 -1.03 0.00 0.00 54.13 53.53 2dnf s LEU 94 Cb -1.34 1.15 -0.02 0.00 0.03 0.00 0.00 46.19 46.02 2dnf s LEU 94 CO 0.75 -0.60 1.79 -2.16 0.23 0.00 0.00 176.35 176.36 2dnf s PRO 95 N -2.69 2.94 -0.22 1.29 0.04 -1.26 -4.80 135.00 130.30 2dnf s PRO 95 Ca -0.04 0.90 0.10 0.00 0.04 0.00 0.00 61.00 61.99 2dnf s PRO 95 Cb -0.00 -4.29 -0.20 0.00 0.04 0.00 0.00 34.50 30.04 2dnf s PRO 95 CO -0.04 -2.34 -0.08 0.66 0.04 0.00 0.00 177.00 175.24 2dnf n TYR 96 N 11.58 0.00 0.25 0.56 4.01 -1.26 -4.32 117.16 127.97 2dnf n TYR 96 Ca 0.21 0.00 0.08 0.00 -0.16 0.00 0.00 57.90 58.03 2dnf n TYR 96 Cb 0.50 -0.96 0.45 0.00 -0.31 0.00 0.00 39.34 39.02 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 2.88 0.00 1.35 2.72 0.00 -1.94 0.62 103.07 108.71 2dnf h GLY 97 Ca -0.55 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 46.51 2dnf h GLY 97 CO -0.03 0.00 -1.46 0.83 0.00 0.00 0.00 176.54 175.88 2dnf h GLU 98 N 0.00 0.11 0.00 4.80 4.39 -1.86 -3.31 114.58 118.71 2dnf h GLU 98 Ca 0.00 -0.19 -0.05 0.00 0.34 0.00 0.00 59.36 59.46 2dnf h GLU 98 Cb 0.88 0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.59 2dnf h GLU 98 CO 0.00 0.90 -0.24 -0.07 -1.16 0.00 0.00 179.01 178.45 2dnf h LEU 99 N 0.03 0.00 0.77 1.33 3.38 0.03 -3.28 115.31 117.56 2dnf h LEU 99 Ca -0.20 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.73 2dnf h LEU 99 Cb 1.95 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.71 2dnf h LEU 99 CO 0.13 0.24 -0.37 -0.07 0.09 0.00 0.00 178.44 178.45 2dnf h LEU 100 N 0.00 -0.88 -7.38 1.67 3.38 -1.57 -3.43 115.31 107.10 2dnf h LEU 100 Ca -0.00 0.03 -0.22 0.00 0.09 0.00 0.00 57.88 57.78 2dnf h LEU 100 Cb 0.79 0.23 -0.31 0.00 0.09 0.00 0.00 40.66 41.45 2dnf h LEU 100 CO 0.03 -0.57 -0.55 0.72 0.09 0.00 0.00 178.44 178.17 2dnf s PHE 101 N -5.04 -0.25 0.06 1.13 -0.12 -1.24 -5.04 117.98 107.49 2dnf s PHE 101 Ca -0.15 0.64 -0.30 0.00 -0.05 0.00 0.00 56.93 57.07 2dnf s PHE 101 Cb 0.02 -0.03 -0.05 0.00 -0.63 0.00 0.00 43.02 42.33 2dnf s PHE 101 CO 0.45 -0.21 1.05 0.16 -0.05 0.00 0.00 175.22 176.62 2dnf s ASP 102 N 1.29 7.31 0.23 1.98 1.47 -1.26 -4.76 116.67 122.93 2dnf s ASP 102 Ca -0.09 1.83 -0.16 0.00 1.18 0.00 0.00 52.55 55.31 2dnf s ASP 102 Cb -0.11 -2.58 0.26 0.00 -0.34 0.00 0.00 42.92 40.15 2dnf s ASP 102 CO -0.07 -0.26 1.56 0.77 0.68 0.00 0.00 175.17 177.84 2dnf h SER 103 N 6.31 -1.30 -4.10 2.11 4.64 -1.97 -3.41 113.55 115.84 2dnf h SER 103 Ca -0.42 0.30 -0.13 0.00 -0.47 0.00 0.00 61.79 61.07 2dnf h SER 103 Cb 1.22 0.70 -0.23 0.00 -0.31 0.00 0.00 62.40 63.77 2dnf h SER 103 CO 0.75 -0.30 -0.27 -0.83 -0.87 0.00 0.00 176.83 175.31 2dnf s GLY 104 N -3.60 -0.26 0.55 -0.77 0.00 -1.26 -5.16 107.32 96.82 2dnf s GLY 104 Ca -0.14 0.91 -0.19 0.00 0.00 0.00 0.00 44.72 45.30 2dnf s GLY 104 CO 0.72 0.75 1.13 2.56 0.00 0.00 0.00 173.10 178.26 2dnf s PRO 105 N -0.11 3.31 -0.37 2.90 0.04 -1.26 -4.98 135.00 134.52 2dnf s PRO 105 Ca -0.03 1.60 0.05 0.00 0.04 0.00 0.00 61.00 62.66 2dnf s PRO 105 Cb -0.03 -2.00 0.45 0.00 0.04 0.00 0.00 34.50 32.96 2dnf s PRO 105 CO 0.01 -0.88 1.29 0.45 0.04 0.00 0.00 177.00 177.91 2dnf n SER 106 N -1.39 5.26 -4.23 6.66 2.88 -1.26 -5.07 113.62 116.47 2dnf n SER 106 Ca 0.12 -3.75 -0.33 0.00 -1.33 0.00 0.00 58.87 53.58 2dnf n SER 106 Cb 0.51 -0.45 0.16 0.00 -0.75 0.00 0.00 64.21 63.68 2dnf n SER 106 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2dnf n SER 107 N -0.69 -2.44 0.00 -3.46 7.64 -1.26 -5.35 113.62 108.07 2dnf n SER 107 Ca 0.45 -0.14 0.00 0.00 1.01 0.00 0.00 58.87 60.20 2dnf n SER 107 Cb 0.86 -0.91 0.00 0.00 -1.01 0.00 0.00 64.21 63.15 2dnf n SER 107 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64