#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 -0.89 1.04 1.61 0.01 -1.26 -5.16 113.70 109.05 2dnf s SER 2 Ca 0.00 1.13 -0.14 0.00 1.31 0.00 0.00 55.95 58.24 2dnf s SER 2 Cb 0.00 1.98 0.12 0.00 0.21 0.00 0.00 66.02 68.32 2dnf s SER 2 CO 0.00 -0.17 0.46 -1.54 0.41 0.00 0.00 173.24 172.40 2dnf n SER 3 N 5.24 -1.82 -3.93 2.44 3.41 -1.26 -5.04 113.62 112.67 2dnf n SER 3 Ca -0.10 0.10 -0.09 0.00 -0.26 0.00 0.00 58.87 58.52 2dnf n SER 3 Cb 0.51 -1.16 -0.09 0.00 -0.26 0.00 0.00 64.21 63.21 2dnf n SER 3 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2dnf s GLY 4 N -2.10 0.19 -0.62 5.00 0.00 -1.26 -5.08 107.32 103.45 2dnf s GLY 4 Ca 0.60 -0.66 -0.37 0.00 0.00 0.00 0.00 44.72 44.29 2dnf s GLY 4 CO 0.65 -0.81 2.34 -1.26 0.00 0.00 0.00 173.10 174.02 2dnf n SER 5 N 0.40 1.02 -0.07 1.64 2.88 -1.26 -4.80 113.62 113.42 2dnf n SER 5 Ca -0.17 0.39 -0.13 0.00 -1.33 0.00 0.00 58.87 57.63 2dnf n SER 5 Cb 0.60 -1.03 -0.11 0.00 -0.75 0.00 0.00 64.21 62.92 2dnf n SER 5 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2dnf h SER 6 N 11.39 0.00 0.00 -3.46 0.02 -2.04 -3.50 113.55 115.96 2dnf h SER 6 Ca -0.13 -0.77 0.00 0.00 -0.84 0.00 0.00 61.79 60.05 2dnf h SER 6 Cb 1.35 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.89 2dnf h SER 6 CO 1.17 0.97 0.00 0.61 -1.14 0.00 0.00 176.83 178.44 2dnf n GLY 7 N 1.62 0.06 3.77 -3.77 0.00 -1.26 -5.13 105.19 100.48 2dnf n GLY 7 Ca -0.11 0.04 -0.33 0.00 0.00 0.00 0.00 46.02 45.62 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 0.00 2.76 0.34 1.61 0.52 -1.26 -5.00 118.95 117.92 2dnf s ARG 8 Ca 0.00 1.38 -0.26 0.00 -0.52 0.00 0.00 55.73 56.33 2dnf s ARG 8 Cb 0.00 -1.95 -0.09 0.00 0.52 0.00 0.00 34.95 33.43 2dnf s ARG 8 CO 0.00 -1.28 1.04 -1.59 0.02 0.00 0.00 175.30 173.49 2dnf s LYS 9 N -4.14 4.41 0.93 3.54 0.00 -1.26 -5.04 119.74 118.18 2dnf s LYS 9 Ca 0.67 1.57 -0.12 0.00 0.00 0.00 0.00 55.97 58.09 2dnf s LYS 9 Cb -0.20 -2.82 0.15 0.00 0.00 0.00 0.00 37.83 34.95 2dnf s LYS 9 CO 0.42 0.07 1.09 -1.25 0.00 0.00 0.00 175.35 175.68 2dnf s PRO 10 N -2.03 1.00 0.64 1.78 0.04 -1.26 -5.06 135.00 130.11 2dnf s PRO 10 Ca 0.52 0.73 -0.00 0.00 0.04 0.00 0.00 61.00 62.28 2dnf s PRO 10 Cb -0.25 -1.79 0.08 0.00 0.04 0.00 0.00 34.50 32.58 2dnf s PRO 10 CO 0.31 -2.39 0.89 -0.48 0.04 0.00 0.00 177.00 175.37 2dnf s LEU 11 N -6.29 3.10 -1.51 -3.56 2.34 -1.26 -4.40 118.68 107.10 2dnf s LEU 11 Ca 0.64 -0.14 -0.07 0.00 0.06 0.00 0.00 54.13 54.62 2dnf s LEU 11 Cb -0.18 -2.49 0.07 0.00 -0.56 0.00 0.00 46.19 43.03 2dnf s LEU 11 CO 0.57 -1.49 0.17 0.00 -1.06 0.00 0.00 176.35 174.54 2dnf n GLN 12 N -2.60 -0.88 -0.98 1.48 10.64 -1.26 -4.74 117.38 119.04 2dnf n GLN 12 Ca 0.11 0.10 -0.31 0.00 -1.83 0.00 0.00 57.00 55.07 2dnf n GLN 12 Cb 0.60 -3.59 0.01 0.00 -0.86 0.00 0.00 30.24 26.40 2dnf n GLN 12 CO 0.00 0.00 0.00 0.39 -1.83 0.00 0.00 177.06 175.62 2dnf n GLU 13 N -4.11 0.00 -1.14 2.61 4.71 -1.26 -4.42 120.64 117.04 2dnf n GLU 13 Ca -0.17 0.00 -0.29 0.00 -0.01 0.00 0.00 57.16 56.69 2dnf n GLU 13 Cb 0.57 -0.80 0.20 0.00 -1.01 0.00 0.00 31.44 30.40 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 -0.86 -0.07 -0.10 3.49 0.04 -1.26 -4.64 135.00 131.61 2dnf s PRO 14 Ca 0.44 0.35 0.04 0.00 0.04 0.00 0.00 61.00 61.87 2dnf s PRO 14 Cb -0.38 -1.69 0.00 0.00 0.04 0.00 0.00 34.50 32.47 2dnf s PRO 14 CO 0.54 -3.03 -0.22 0.00 0.04 0.00 0.00 177.00 174.32 2dnf s THR 16 N 0.40 4.70 0.13 0.00 2.01 -1.26 -0.21 115.64 121.41 2dnf s THR 16 Ca -0.18 -1.86 0.09 0.00 0.31 0.00 0.00 61.69 60.04 2dnf s THR 16 Cb -0.18 -4.03 -0.04 0.00 0.01 0.00 0.00 72.50 68.26 2dnf s THR 16 CO 0.08 -0.85 -0.14 0.27 -0.69 0.00 0.00 174.62 173.29 2dnf s ILE 17 N 1.18 3.06 -0.10 1.82 -4.36 -1.00 -1.20 121.20 120.60 2dnf s ILE 17 Ca 0.07 -1.50 -0.08 0.00 -0.26 0.00 0.00 60.65 58.88 2dnf s ILE 17 Cb -0.25 -2.44 -0.04 0.00 1.25 0.00 0.00 42.46 40.97 2dnf s ILE 17 CO -0.01 0.04 0.18 -0.36 0.24 0.00 0.00 174.94 175.03 2dnf s PHE 18 N -1.33 3.62 0.15 1.37 0.08 -0.90 -0.39 117.98 120.58 2dnf s PHE 18 Ca 0.21 0.59 0.08 0.00 0.12 0.00 0.00 56.93 57.93 2dnf s PHE 18 Cb -0.10 -1.99 -0.04 0.00 -0.57 0.00 0.00 43.02 40.32 2dnf s PHE 18 CO 0.12 0.72 -0.07 -0.51 -0.10 0.00 0.00 175.22 175.39 2dnf s LEU 19 N -1.07 3.09 -0.04 -0.37 2.01 -0.73 -0.57 118.68 121.00 2dnf s LEU 19 Ca 0.17 -0.46 -0.03 0.00 0.01 0.00 0.00 54.13 53.81 2dnf s LEU 19 Cb -0.13 -1.80 0.02 0.00 0.01 0.00 0.00 46.19 44.29 2dnf s LEU 19 CO 0.06 0.12 0.10 -0.63 1.01 0.00 0.00 176.35 177.01 2dnf s ILE 20 N -1.56 -0.01 -0.42 -0.59 1.01 -1.03 -0.49 121.20 118.12 2dnf s ILE 20 Ca 0.25 0.05 -0.28 0.00 0.00 0.00 0.00 60.65 60.66 2dnf s ILE 20 Cb -0.10 -0.15 -0.01 0.00 0.01 0.00 0.00 42.46 42.21 2dnf s ILE 20 CO 0.16 0.02 1.72 0.00 0.00 0.00 0.00 174.94 176.84 2dnf s ALA 21 N 0.31 2.75 -0.21 9.38 0.00 -1.26 -0.49 121.76 132.24 2dnf s ALA 21 Ca -0.02 -0.06 -0.39 0.00 0.00 0.00 0.00 51.96 51.49 2dnf s ALA 21 Cb -0.03 -4.07 -0.15 0.00 0.00 0.00 0.00 23.12 18.87 2dnf s ALA 21 CO -0.01 -2.87 1.74 -1.71 0.00 0.00 0.00 175.76 172.90 2dnf n ASN 22 N 10.50 2.54 0.00 0.00 5.15 -1.07 -0.07 115.26 132.31 2dnf n ASN 22 Ca 0.21 1.06 0.00 0.00 -0.60 0.00 0.00 54.58 55.25 2dnf n ASN 22 Cb 0.48 -1.19 0.00 0.00 -0.53 0.00 0.00 39.78 38.54 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 4.10 0.15 3.47 8.20 0.00 -1.26 -5.01 105.19 114.83 2dnf n GLY 23 Ca 0.25 0.00 -0.40 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 -2.17 5.80 -0.11 1.61 2.15 0.90 -4.92 116.67 119.93 2dnf s ASP 24 Ca 0.00 -0.57 0.14 0.00 0.43 0.00 0.00 52.55 52.55 2dnf s ASP 24 Cb 0.00 -2.07 0.37 0.00 -0.30 0.00 0.00 42.92 40.92 2dnf s ASP 24 CO 0.00 -0.25 1.28 0.18 -0.17 0.00 0.00 175.17 176.21 2dnf n LEU 25 N 5.04 3.13 -0.08 -1.34 7.99 -1.26 -4.59 117.00 125.89 2dnf n LEU 25 Ca -0.13 -2.70 -0.13 0.00 -0.01 0.00 0.00 56.01 53.04 2dnf n LEU 25 Cb 0.49 -0.39 -0.07 0.00 -0.11 0.00 0.00 43.42 43.33 2dnf n LEU 25 CO 0.36 0.67 -1.06 -0.38 -1.51 0.00 0.00 177.39 175.48 2dnf n ILE 26 N -0.49 0.96 -3.52 -0.08 -0.00 -1.26 -4.98 119.36 109.99 2dnf n ILE 26 Ca 0.16 -0.34 -0.37 0.00 -0.00 0.00 0.00 62.75 62.20 2dnf n ILE 26 Cb 0.67 -1.22 -0.06 0.00 -0.00 0.00 0.00 39.64 39.03 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 6.76 0.82 4.38 0.01 -1.26 -5.09 114.94 114.75 2dnf s ASN 27 Ca -0.23 0.92 0.00 0.00 -0.71 0.00 0.00 52.86 52.84 2dnf s ASN 27 Cb 0.07 -2.23 0.00 0.00 0.41 0.00 0.00 41.25 39.49 2dnf s ASN 27 CO 0.37 0.28 0.00 -0.81 -1.51 0.00 0.00 177.10 175.43 2dnf n PRO 28 N 1.56 -0.66 -1.40 -0.60 -0.04 -1.26 -4.90 135.00 127.69 2dnf n PRO 28 Ca -0.12 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.17 2dnf n PRO 28 Cb 0.52 0.00 0.10 0.00 -0.04 0.00 0.00 33.50 34.09 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 -0.51 -3.57 0.55 0.00 -1.26 -4.80 120.51 107.92 2dnf n ALA 29 Ca 0.00 -1.10 -0.27 0.00 0.00 0.00 0.00 53.44 52.07 2dnf n ALA 29 Cb 0.00 0.05 -0.16 0.00 0.00 0.00 0.00 19.45 19.34 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 -3.75 2.88 -0.35 0.00 0.01 0.36 -4.87 113.70 107.98 2dnf s SER 30 Ca 0.43 -0.93 -0.27 0.00 1.31 0.00 0.00 55.95 56.49 2dnf s SER 30 Cb -0.02 -0.27 -0.05 0.00 0.21 0.00 0.00 66.02 65.89 2dnf s SER 30 CO 0.30 -0.39 2.20 -0.60 0.41 0.00 0.00 173.24 175.16 2dnf s ARG 31 N 2.13 2.78 -0.14 12.44 3.52 -1.26 -1.78 118.95 136.64 2dnf s ARG 31 Ca 0.05 1.65 0.01 0.00 -0.13 0.00 0.00 55.73 57.32 2dnf s ARG 31 Cb -0.16 -4.42 0.02 0.00 -1.56 0.00 0.00 34.95 28.83 2dnf s ARG 31 CO -0.23 -2.50 -0.17 -1.17 -0.81 0.00 0.00 175.30 170.42 2dnf s LEU 32 N 9.45 1.83 0.29 -0.88 2.96 0.47 -4.97 118.68 127.83 2dnf s LEU 32 Ca 0.95 -0.51 -0.22 0.00 -0.22 0.00 0.00 54.13 54.13 2dnf s LEU 32 Cb -0.25 -1.24 -0.09 0.00 0.50 0.00 0.00 46.19 45.11 2dnf s LEU 32 CO 0.31 0.00 0.83 -0.22 -1.32 0.00 0.00 176.35 175.95 2dnf s LEU 33 N 1.15 4.29 -0.12 -0.68 2.96 -1.26 -2.38 118.68 122.64 2dnf s LEU 33 Ca -0.02 1.59 -0.01 0.00 -0.22 0.00 0.00 54.13 55.48 2dnf s LEU 33 Cb -0.14 -3.87 0.03 0.00 0.50 0.00 0.00 46.19 42.71 2dnf s LEU 33 CO -0.06 -0.06 -0.06 -0.63 -1.32 0.00 0.00 176.35 174.23 2dnf s ILE 34 N -1.65 0.94 0.02 6.68 1.01 0.71 -4.96 121.20 123.96 2dnf s ILE 34 Ca 0.48 -0.31 -0.30 0.00 0.00 0.00 0.00 60.65 60.52 2dnf s ILE 34 Cb -0.16 -1.03 -0.06 0.00 0.01 0.00 0.00 42.46 41.22 2dnf s ILE 34 CO 0.21 0.29 1.43 -2.16 0.00 0.00 0.00 174.94 174.71 2dnf s PRO 35 N 1.73 4.28 0.15 2.79 0.04 -1.26 -2.04 135.00 140.68 2dnf s PRO 35 Ca 0.04 2.02 -0.19 0.00 0.04 0.00 0.00 61.00 62.91 2dnf s PRO 35 Cb -0.13 -3.54 0.06 0.00 0.04 0.00 0.00 34.50 30.93 2dnf s PRO 35 CO -0.08 -0.58 1.20 -2.13 0.04 0.00 0.00 177.00 175.45 2dnf n ARG 36 N 5.23 -0.27 -0.26 4.56 3.00 -1.26 0.12 116.66 127.78 2dnf n ARG 36 Ca 0.13 1.18 0.18 0.00 -0.00 0.00 0.00 57.85 59.35 2dnf n ARG 36 Cb 0.43 -1.74 0.35 0.00 0.00 0.00 0.00 32.46 31.49 2dnf n ARG 36 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 2dnf n LYS 37 N -5.05 -0.05 0.04 -0.14 0.00 -1.26 0.21 118.16 111.90 2dnf n LYS 37 Ca 0.04 1.13 -0.20 0.00 0.00 0.00 0.00 58.31 59.28 2dnf n LYS 37 Cb 0.25 -1.91 -0.10 0.00 0.00 0.00 0.00 35.03 33.27 2dnf n LYS 37 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.40 178.55 2dnf h THR 38 N 0.00 1.28 -0.60 3.15 2.02 0.61 -3.18 112.91 116.19 2dnf h THR 38 Ca 0.57 -2.23 0.17 0.00 0.77 0.00 0.00 66.41 65.69 2dnf h THR 38 Cb 1.37 2.37 -0.02 0.00 -1.74 0.00 0.00 68.15 70.13 2dnf h THR 38 CO -0.67 0.69 0.69 -0.07 0.37 0.00 0.00 175.52 176.54 2dnf h LEU 39 N 0.40 0.00 -1.15 2.58 4.07 0.30 0.56 115.31 122.07 2dnf h LEU 39 Ca -0.13 0.00 -0.05 0.00 0.08 0.00 0.00 57.88 57.78 2dnf h LEU 39 Cb 1.69 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 43.41 2dnf h LEU 39 CO 0.20 0.00 0.03 0.78 -1.08 0.00 0.00 178.44 178.37 2dnf h ASN 40 N 0.00 0.58 -3.62 -0.43 2.35 -1.41 -3.39 115.58 109.65 2dnf h ASN 40 Ca 0.29 -0.11 -0.69 0.00 -0.55 0.00 0.00 56.30 55.23 2dnf h ASN 40 Cb 1.67 -0.15 -0.31 0.00 0.05 0.00 0.00 38.32 39.58 2dnf h ASN 40 CO -0.00 0.63 -0.60 -1.10 -1.65 0.00 0.00 177.43 174.71 2dnf s GLN 41 N -5.02 2.39 0.29 0.81 -1.52 0.20 -4.97 119.66 111.84 2dnf s GLN 41 Ca -0.08 -1.42 0.02 0.00 -1.95 0.00 0.00 55.36 51.92 2dnf s GLN 41 Cb 0.15 -3.46 0.57 0.00 -0.22 0.00 0.00 33.01 30.06 2dnf s GLN 41 CO 0.78 -0.80 1.85 2.35 -0.25 0.00 0.00 175.29 179.21 2dnf h TRP 42 N 8.13 1.12 -0.73 0.91 -0.00 -1.76 -1.00 115.95 122.62 2dnf h TRP 42 Ca -0.20 0.03 0.02 0.00 -0.00 0.00 0.00 58.89 58.74 2dnf h TRP 42 Cb 1.07 -0.36 -0.04 0.00 -0.00 0.00 0.00 29.16 29.83 2dnf h TRP 42 CO 0.59 0.45 0.47 0.22 -0.00 0.00 0.00 178.44 180.18 2dnf h ASP 43 N 0.98 0.80 -0.44 2.65 3.58 -1.93 -2.19 116.42 119.87 2dnf h ASP 43 Ca 0.49 -0.01 -0.10 0.00 0.42 0.00 0.00 57.03 57.83 2dnf h ASP 43 Cb 0.48 -0.19 -0.02 0.00 1.72 0.00 0.00 39.33 41.33 2dnf h ASP 43 CO -0.25 0.56 -0.07 0.45 -2.88 0.00 0.00 179.24 177.05 2dnf h HIS 44 N 0.94 0.97 0.67 0.28 3.86 -1.51 -2.95 115.15 117.41 2dnf h HIS 44 Ca 0.28 -0.17 -0.03 0.00 -1.16 0.00 0.00 60.37 59.29 2dnf h HIS 44 Cb -0.05 -0.25 -0.00 0.00 1.06 0.00 0.00 27.41 28.17 2dnf h HIS 44 CO -0.03 0.91 -0.41 0.28 0.86 0.00 0.00 177.93 179.54 2dnf h VAL 45 N 0.80 0.17 -0.90 2.45 2.07 -0.74 -2.72 116.25 117.38 2dnf h VAL 45 Ca 0.14 0.00 0.20 0.00 0.82 0.00 0.00 66.70 67.86 2dnf h VAL 45 Cb 0.58 0.17 -0.12 0.00 -1.52 0.00 0.00 31.29 30.40 2dnf h VAL 45 CO 0.04 0.00 0.43 -0.07 0.02 0.00 0.00 177.57 177.98 2dnf h LEU 46 N -1.02 0.42 -1.77 2.57 3.38 -1.43 0.39 115.31 117.86 2dnf h LEU 46 Ca -0.09 0.14 0.24 0.00 0.09 0.00 0.00 57.88 58.26 2dnf h LEU 46 Cb 0.82 0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.63 2dnf h LEU 46 CO 0.09 0.07 0.77 -0.61 0.09 0.00 0.00 178.44 178.85 2dnf h GLN 47 N 0.48 0.00 0.00 1.13 5.75 -1.30 0.49 115.11 121.66 2dnf h GLN 47 Ca 0.54 0.00 -0.34 0.00 -0.15 0.00 0.00 58.65 58.71 2dnf h GLN 47 Cb 0.97 0.00 -0.06 0.00 1.07 0.00 0.00 27.48 29.46 2dnf h GLN 47 CO -0.48 0.00 -2.09 -1.33 -2.65 0.00 0.00 178.83 172.28 2dnf n MET 48 N -3.75 0.66 0.13 1.69 2.81 0.13 -4.03 117.12 114.76 2dnf n MET 48 Ca 0.17 0.12 0.02 0.00 -1.81 0.00 0.00 57.70 56.21 2dnf n MET 48 Cb 1.06 -1.64 0.38 0.00 -0.71 0.00 0.00 33.22 32.31 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 0.00 1.19 -0.00 2.03 2.07 0.59 -2.48 116.25 119.64 2dnf h VAL 49 Ca -0.43 -0.88 -0.16 0.00 0.82 0.00 0.00 66.70 66.04 2dnf h VAL 49 Cb 2.15 1.30 -0.02 0.00 -1.52 0.00 0.00 31.29 33.20 2dnf h VAL 49 CO 0.05 0.27 -0.76 0.74 0.02 0.00 0.00 177.57 177.89 2dnf h THR 50 N 0.19 1.53 -0.48 2.57 2.02 -1.31 -0.43 112.91 116.99 2dnf h THR 50 Ca 0.04 -2.55 0.07 0.00 0.77 0.00 0.00 66.41 64.74 2dnf h THR 50 Cb 0.43 2.38 -0.03 0.00 -1.74 0.00 0.00 68.15 69.20 2dnf h THR 50 CO 0.03 0.73 0.33 -0.33 0.37 0.00 0.00 175.52 176.65 2dnf h GLU 51 N 0.02 0.35 0.02 6.66 5.08 -1.58 -2.92 114.58 122.21 2dnf h GLU 51 Ca -0.01 -0.02 -0.38 0.00 -1.00 0.00 0.00 59.36 57.94 2dnf h GLU 51 Cb 1.34 -0.08 -0.06 0.00 0.50 0.00 0.00 28.75 30.45 2dnf h GLU 51 CO 0.10 0.23 -2.39 1.63 -1.00 0.00 0.00 179.01 177.58 2dnf n LYS 52 N -4.47 0.67 -3.91 2.33 4.76 -1.19 -4.80 118.16 111.55 2dnf n LYS 52 Ca 0.07 0.16 -0.32 0.00 -2.87 0.00 0.00 58.31 55.35 2dnf n LYS 52 Cb 0.29 -1.55 -0.13 0.00 -1.84 0.00 0.00 35.03 31.79 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 -2.53 2.77 -0.53 -0.18 -1.09 -0.18 -5.03 121.20 114.44 2dnf s ILE 53 Ca -0.32 -2.84 -0.18 0.00 -2.23 0.00 0.00 60.65 55.07 2dnf s ILE 53 Cb 0.08 -2.92 0.08 0.00 -1.58 0.00 0.00 42.46 38.12 2dnf s ILE 53 CO 0.64 -0.74 0.62 -0.89 -1.23 0.00 0.00 174.94 173.33 2dnf s THR 54 N 0.25 4.91 0.52 2.92 2.01 -1.14 -4.14 115.64 120.97 2dnf s THR 54 Ca 0.14 -0.74 -0.22 0.00 0.31 0.00 0.00 61.69 61.19 2dnf s THR 54 Cb -0.23 -4.33 -0.06 0.00 0.01 0.00 0.00 72.50 67.89 2dnf s THR 54 CO -0.03 -0.87 1.26 -0.76 -0.69 0.00 0.00 174.62 173.53 2dnf s LEU 55 N 2.49 3.88 0.30 4.42 1.43 -0.79 -4.92 118.68 125.50 2dnf s LEU 55 Ca 0.12 2.54 -0.02 0.00 -1.03 0.00 0.00 54.13 55.74 2dnf s LEU 55 Cb -0.22 -4.31 0.45 0.00 0.03 0.00 0.00 46.19 42.14 2dnf s LEU 55 CO 0.09 -1.33 1.97 -0.09 0.23 0.00 0.00 176.35 177.22 2dnf h ARG 56 N 1.59 1.08 -0.21 1.70 2.43 -1.96 -2.06 114.38 116.95 2dnf h ARG 56 Ca -0.50 -0.06 -0.13 0.00 -0.81 0.00 0.00 59.98 58.47 2dnf h ARG 56 Cb 1.28 -0.24 -0.01 0.00 -0.42 0.00 0.00 29.97 30.58 2dnf h ARG 56 CO 0.58 0.71 -0.43 0.77 -1.51 0.00 0.00 179.97 180.09 2dnf h SER 57 N 1.11 0.53 0.00 -3.80 0.02 -2.01 -3.49 113.55 105.91 2dnf h SER 57 Ca 0.30 -0.24 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 2dnf h SER 57 Cb -0.12 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.28 2dnf h SER 57 CO -0.07 0.89 0.00 0.61 -1.14 0.00 0.00 176.83 177.13 2dnf n GLY 58 N -0.00 -0.67 2.16 -3.77 0.00 -0.77 -5.10 105.19 97.03 2dnf n GLY 58 Ca -0.02 -0.17 -0.13 0.00 0.00 0.00 0.00 46.02 45.70 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 0.00 -0.01 -2.54 4.61 0.00 -1.26 -1.88 120.51 119.42 2dnf n ALA 59 Ca 0.00 -1.07 -0.33 0.00 0.00 0.00 0.00 53.44 52.04 2dnf n ALA 59 Cb 0.00 0.15 -0.05 0.00 0.00 0.00 0.00 19.45 19.55 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 -1.74 5.05 0.00 0.00 1.01 -1.26 -4.46 120.40 119.00 2dnf s VAL 60 Ca 0.38 0.36 0.00 0.00 0.00 0.00 0.00 61.98 62.72 2dnf s VAL 60 Cb -0.02 -3.64 0.00 0.00 0.00 0.00 0.00 36.38 32.72 2dnf s VAL 60 CO 0.25 0.11 0.00 1.41 0.00 0.00 0.00 175.10 176.87 2dnf n HIS 61 N 0.37 0.00 -4.09 5.22 8.25 -1.21 -4.88 115.22 118.87 2dnf n HIS 61 Ca -0.04 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.33 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 -1.61 0.89 0.10 -0.41 0.52 -0.66 -5.05 118.95 112.73 2dnf s ARG 62 Ca 0.00 -1.33 0.10 0.00 -0.52 0.00 0.00 55.73 53.98 2dnf s ARG 62 Cb 0.00 0.26 -0.04 0.00 0.52 0.00 0.00 34.95 35.69 2dnf s ARG 62 CO 0.00 -0.25 -0.25 -0.51 0.02 0.00 0.00 175.30 174.30 2dnf s LEU 63 N -3.00 2.27 -0.13 2.53 2.01 -1.26 -1.42 118.68 119.68 2dnf s LEU 63 Ca 0.18 -0.69 -0.09 0.00 0.01 0.00 0.00 54.13 53.54 2dnf s LEU 63 Cb 0.07 -1.16 0.04 0.00 0.01 0.00 0.00 46.19 45.15 2dnf s LEU 63 CO -0.02 0.18 0.33 -0.31 1.01 0.00 0.00 176.35 177.54 2dnf s TYR 64 N -1.00 -0.43 0.52 0.29 1.51 0.28 -2.55 117.35 115.96 2dnf s TYR 64 Ca 0.12 0.99 -0.09 0.00 -1.01 0.00 0.00 57.07 57.08 2dnf s TYR 64 Cb -0.10 0.15 0.12 0.00 -0.11 0.00 0.00 41.96 42.02 2dnf s TYR 64 CO 0.05 -0.24 0.59 0.25 -1.11 0.00 0.00 175.55 175.08 2dnf n THR 65 N 3.64 0.00 0.94 -0.71 -2.24 -1.17 0.23 114.28 114.98 2dnf n THR 65 Ca -0.19 -0.37 0.12 0.00 -2.27 0.00 0.00 64.05 61.35 2dnf n THR 65 Cb 0.56 -1.48 0.56 0.00 -2.10 0.00 0.00 70.33 67.87 2dnf n THR 65 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2dnf n LEU 66 N 0.00 0.00 -0.00 3.22 4.77 -1.25 -2.96 117.00 120.78 2dnf n LEU 66 Ca 0.08 0.46 0.02 0.00 -0.03 0.00 0.00 56.01 56.55 2dnf n LEU 66 Cb 0.28 -0.46 -0.12 0.00 -2.33 0.00 0.00 43.42 40.79 2dnf n LEU 66 CO 0.20 -0.06 -0.61 -1.84 -1.33 0.00 0.00 177.39 173.76 2dnf n GLU 67 N -1.46 0.65 0.00 3.23 0.28 -1.26 -4.73 120.64 117.34 2dnf n GLU 67 Ca 0.07 0.02 0.00 0.00 -0.16 0.00 0.00 57.16 57.10 2dnf n GLU 67 Cb 0.28 -1.65 0.00 0.00 1.43 0.00 0.00 31.44 31.50 2dnf n GLU 67 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2dnf n GLY 68 N 1.41 1.43 3.77 -1.84 0.00 -1.15 -5.11 105.19 103.69 2dnf n GLY 68 Ca -0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.23 2.19 -0.19 1.61 2.47 -1.26 -4.82 119.74 119.51 2dnf s LYS 69 Ca 0.00 1.14 0.01 0.00 -1.56 0.00 0.00 55.97 55.56 2dnf s LYS 69 Cb 0.00 -1.89 0.02 0.00 -1.46 0.00 0.00 37.83 34.50 2dnf s LYS 69 CO 0.00 -1.68 -0.19 -1.17 0.16 0.00 0.00 175.35 172.47 2dnf s LEU 70 N -5.94 2.28 -0.99 5.43 0.20 -1.26 -3.03 118.68 115.38 2dnf s LEU 70 Ca 0.61 -0.74 -0.06 0.00 0.69 0.00 0.00 54.13 54.63 2dnf s LEU 70 Cb -0.17 -1.48 0.25 0.00 -0.43 0.00 0.00 46.19 44.35 2dnf s LEU 70 CO 0.56 -0.02 0.93 -0.69 -0.29 0.00 0.00 176.35 176.84 2dnf s VAL 71 N 1.27 5.23 0.59 1.68 1.01 -1.06 -4.87 120.40 124.26 2dnf s VAL 71 Ca 0.03 -3.53 0.30 0.00 0.00 0.00 0.00 61.98 58.78 2dnf s VAL 71 Cb -0.14 -4.19 0.36 0.00 0.00 0.00 0.00 36.38 32.42 2dnf s VAL 71 CO -0.12 -1.12 2.14 -0.33 0.00 0.00 0.00 175.10 175.67 2dnf h GLU 72 N 6.49 0.00 -2.68 2.72 5.08 -1.97 -3.39 114.58 120.82 2dnf h GLU 72 Ca 0.16 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.42 2dnf h GLU 72 Cb 0.86 0.00 -0.21 0.00 0.50 0.00 0.00 28.75 29.91 2dnf h GLU 72 CO 0.92 0.00 -0.14 0.45 -1.00 0.00 0.00 179.01 179.24 2dnf s SER 73 N -5.81 -0.38 0.65 1.42 0.15 -1.26 -4.90 113.70 103.59 2dnf s SER 73 Ca -0.05 0.45 0.12 0.00 0.70 0.00 0.00 55.95 57.17 2dnf s SER 73 Cb 0.15 0.52 0.61 0.00 -1.71 0.00 0.00 66.02 65.59 2dnf s SER 73 CO 0.53 -0.42 1.33 1.23 1.20 0.00 0.00 173.24 177.12 2dnf h GLY 74 N 4.04 0.00 1.19 9.45 0.00 -1.83 0.20 103.07 116.12 2dnf h GLY 74 Ca -0.28 0.00 0.03 0.00 0.00 0.00 0.00 47.33 47.07 2dnf h GLY 74 CO 0.35 0.00 0.38 0.00 0.00 0.00 0.00 176.54 177.27 2dnf h ALA 75 N 0.49 1.53 0.00 3.60 0.00 -1.95 0.56 119.26 123.49 2dnf h ALA 75 Ca 0.05 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2dnf h ALA 75 Cb 1.67 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.46 2dnf h ALA 75 CO -0.00 -0.43 -1.16 0.39 0.00 0.00 0.00 179.25 178.06 2dnf n GLU 76 N -3.06 1.08 -1.62 0.00 1.02 0.70 -5.00 120.64 113.76 2dnf n GLU 76 Ca 0.00 -0.06 -0.36 0.00 -0.02 0.00 0.00 57.16 56.72 2dnf n GLU 76 Cb 0.45 -1.34 0.08 0.00 -0.02 0.00 0.00 31.44 30.61 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 -3.30 3.48 0.38 -4.62 1.43 0.20 -5.02 118.68 111.23 2dnf s LEU 77 Ca 0.02 2.55 0.08 0.00 -1.03 0.00 0.00 54.13 55.74 2dnf s LEU 77 Cb 0.12 -4.61 -0.04 0.00 0.03 0.00 0.00 46.19 41.69 2dnf s LEU 77 CO 0.71 -2.12 0.19 -0.70 0.23 0.00 0.00 176.35 174.65 2dnf s GLU 78 N -3.55 2.33 -0.53 1.70 2.12 -1.26 -5.04 118.70 114.46 2dnf s GLU 78 Ca 0.80 -1.67 -0.19 0.00 0.36 0.00 0.00 54.97 54.27 2dnf s GLU 78 Cb -0.35 -2.12 0.07 0.00 0.26 0.00 0.00 34.13 31.99 2dnf s GLU 78 CO 0.42 -0.02 0.65 0.54 -0.54 0.00 0.00 175.26 176.30 2dnf s ASN 79 N -3.91 6.21 0.00 -1.70 4.22 -1.26 -4.05 114.94 114.45 2dnf s ASN 79 Ca 0.40 -1.09 0.00 0.00 -2.14 0.00 0.00 52.86 50.03 2dnf s ASN 79 Cb 0.00 -2.29 0.00 0.00 1.28 0.00 0.00 41.25 40.24 2dnf s ASN 79 CO 0.23 -0.96 0.00 0.61 -2.04 0.00 0.00 177.10 174.94 2dnf n GLY 80 N 5.21 0.79 3.92 0.45 0.00 -0.34 -4.98 105.19 110.23 2dnf n GLY 80 Ca -0.08 -0.62 -0.31 0.00 0.00 0.00 0.00 46.02 45.01 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 -2.03 3.44 -0.30 1.61 2.00 -1.26 -4.90 119.66 118.22 2dnf s GLN 81 Ca 0.00 -0.43 -0.20 0.00 -2.00 0.00 0.00 55.36 52.73 2dnf s GLN 81 Cb 0.00 -3.04 -0.01 0.00 0.80 0.00 0.00 33.01 30.76 2dnf s GLN 81 CO 0.00 0.61 0.61 -0.06 -0.50 0.00 0.00 175.29 175.95 2dnf s PHE 82 N -1.51 3.22 0.50 1.67 0.40 -1.26 -2.11 117.98 118.90 2dnf s PHE 82 Ca 0.35 0.58 0.05 0.00 -0.60 0.00 0.00 56.93 57.31 2dnf s PHE 82 Cb -0.13 -2.94 -0.00 0.00 0.51 0.00 0.00 43.02 40.46 2dnf s PHE 82 CO 0.28 -0.44 0.22 0.71 0.70 0.00 0.00 175.22 176.68 2dnf s TYR 83 N 2.55 1.96 -0.01 0.36 2.02 0.27 -3.89 117.35 120.61 2dnf s TYR 83 Ca 0.24 -0.81 0.03 0.00 -0.37 0.00 0.00 57.07 56.17 2dnf s TYR 83 Cb -0.15 -1.83 -0.01 0.00 -0.40 0.00 0.00 41.96 39.57 2dnf s TYR 83 CO 0.11 -0.08 -0.10 0.08 -1.57 0.00 0.00 175.55 173.99 2dnf s VAL 84 N -2.76 0.82 -0.36 0.71 1.01 0.63 -2.46 120.40 117.99 2dnf s VAL 84 Ca 0.27 -0.45 -0.21 0.00 0.00 0.00 0.00 61.98 61.60 2dnf s VAL 84 Cb 0.01 -0.69 0.01 0.00 0.00 0.00 0.00 36.38 35.70 2dnf s VAL 84 CO 0.16 0.23 0.66 0.00 0.00 0.00 0.00 175.10 176.15 2dnf s ALA 85 N -0.24 3.44 -0.26 5.51 0.00 0.36 -0.56 121.76 130.01 2dnf s ALA 85 Ca 0.04 -0.85 -0.02 0.00 0.00 0.00 0.00 51.96 51.13 2dnf s ALA 85 Cb -0.04 -3.21 0.03 0.00 0.00 0.00 0.00 23.12 19.90 2dnf s ALA 85 CO -0.00 -1.40 -0.03 0.08 0.00 0.00 0.00 175.76 174.40 2dnf s VAL 86 N 2.78 2.99 0.00 0.00 1.01 -0.51 -2.60 120.40 124.08 2dnf s VAL 86 Ca 0.25 -1.08 0.00 0.00 0.00 0.00 0.00 61.98 61.15 2dnf s VAL 86 Cb -0.14 -2.57 0.00 0.00 0.00 0.00 0.00 36.38 33.67 2dnf s VAL 86 CO 0.15 0.12 0.00 0.61 0.00 0.00 0.00 175.10 175.98 2dnf n GLY 87 N 4.67 -1.00 1.69 4.51 0.00 -1.26 -1.66 105.19 112.14 2dnf n GLY 87 Ca -0.15 -1.14 -0.07 0.00 0.00 0.00 0.00 46.02 44.66 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 1.37 -4.32 1.61 1.74 -1.26 -4.53 116.66 111.27 2dnf n ARG 88 Ca 0.00 -0.64 -0.17 0.00 -0.77 0.00 0.00 57.85 56.27 2dnf n ARG 88 Cb 0.00 -1.30 -0.10 0.00 -1.02 0.00 0.00 32.46 30.04 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 1.36 1.29 0.43 0.55 1.01 -1.26 -5.14 116.67 114.90 2dnf s ASP 89 Ca 0.16 -1.43 -0.23 0.00 0.71 0.00 0.00 52.55 51.76 2dnf s ASP 89 Cb 0.11 0.23 -0.08 0.00 1.01 0.00 0.00 42.92 44.19 2dnf s ASP 89 CO -0.01 -0.78 1.09 -0.54 0.21 0.00 0.00 175.17 175.15 2dnf s LYS 90 N -3.98 3.96 -0.36 8.23 3.01 -1.26 -4.93 119.74 124.41 2dnf s LYS 90 Ca 0.37 1.59 -0.28 0.00 -1.01 0.00 0.00 55.97 56.65 2dnf s LYS 90 Cb 0.07 -2.44 -0.04 0.00 -1.01 0.00 0.00 37.83 34.42 2dnf s LYS 90 CO 0.15 -0.33 2.03 0.12 0.51 0.00 0.00 175.35 177.83 2dnf s PHE 91 N -1.65 1.47 -1.16 3.18 5.36 -1.26 -4.87 117.98 119.05 2dnf s PHE 91 Ca 0.61 0.78 -0.23 0.00 -0.96 0.00 0.00 56.93 57.13 2dnf s PHE 91 Cb -0.24 -3.97 -0.09 0.00 -0.34 0.00 0.00 43.02 38.38 2dnf s PHE 91 CO 0.29 -3.13 1.95 0.15 -1.46 0.00 0.00 175.22 173.02 2dnf s LYS 92 N 6.49 2.42 -0.84 10.12 1.02 -1.26 -4.87 119.74 132.82 2dnf s LYS 92 Ca 0.87 -1.08 -0.33 0.00 0.02 0.00 0.00 55.97 55.46 2dnf s LYS 92 Cb -0.23 -5.22 -0.19 0.00 -0.52 0.00 0.00 37.83 31.67 2dnf s LYS 92 CO 0.31 -4.05 2.56 1.17 -0.92 0.00 0.00 175.35 174.42 2dnf n LYS 93 N 8.30 0.17 -3.96 1.68 3.00 -1.26 -4.72 118.16 121.38 2dnf n LYS 93 Ca 0.44 0.01 -0.09 0.00 -0.00 0.00 0.00 58.31 58.67 2dnf n LYS 93 Cb 0.47 -1.77 -0.10 0.00 0.00 0.00 0.00 35.03 33.62 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 8.84 2.06 -0.45 3.14 1.43 -1.26 -5.11 118.68 127.34 2dnf s LEU 94 Ca 1.28 -0.49 -0.28 0.00 -1.03 0.00 0.00 54.13 53.62 2dnf s LEU 94 Cb -1.15 0.29 -0.02 0.00 0.03 0.00 0.00 46.19 45.34 2dnf s LEU 94 CO 0.49 -0.37 1.77 -2.16 0.23 0.00 0.00 176.35 176.31 2dnf s PRO 95 N -1.79 3.09 -0.18 1.29 0.04 -1.26 -4.81 135.00 131.38 2dnf s PRO 95 Ca -0.12 1.04 0.12 0.00 0.04 0.00 0.00 61.00 62.07 2dnf s PRO 95 Cb -0.07 -4.25 -0.20 0.00 0.04 0.00 0.00 34.50 30.03 2dnf s PRO 95 CO -0.02 -2.16 -0.01 0.66 0.04 0.00 0.00 177.00 175.52 2dnf n TYR 96 N 11.04 0.00 0.14 0.56 4.01 -1.26 -4.39 117.16 127.26 2dnf n TYR 96 Ca 0.21 0.00 0.19 0.00 -0.16 0.00 0.00 57.90 58.14 2dnf n TYR 96 Cb 0.49 -0.85 0.77 0.00 -0.31 0.00 0.00 39.34 39.44 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 2.97 0.00 1.07 2.72 0.00 -1.90 -0.39 103.07 107.55 2dnf h GLY 97 Ca -0.48 0.00 -0.27 0.00 0.00 0.00 0.00 47.33 46.58 2dnf h GLY 97 CO -0.00 0.00 -1.15 1.05 0.00 0.00 0.00 176.54 176.44 2dnf h GLU 98 N 0.00 0.51 -0.29 4.80 4.11 -1.84 -3.25 114.58 118.62 2dnf h GLU 98 Ca 0.15 -0.76 0.08 0.00 0.07 0.00 0.00 59.36 58.91 2dnf h GLU 98 Cb 0.90 0.26 -0.01 0.00 0.50 0.00 0.00 28.75 30.40 2dnf h GLU 98 CO -0.00 1.34 0.24 -0.07 0.07 0.00 0.00 179.01 180.60 2dnf h LEU 99 N 0.06 0.00 0.43 3.06 3.38 -1.28 -2.82 115.31 118.15 2dnf h LEU 99 Ca -0.19 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.76 2dnf h LEU 99 Cb 1.87 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.62 2dnf h LEU 99 CO 0.22 0.00 -0.21 -0.07 0.09 0.00 0.00 178.44 178.47 2dnf h LEU 100 N 0.00 -0.49 -7.80 1.67 3.38 -1.55 -3.44 115.31 107.08 2dnf h LEU 100 Ca 0.14 0.02 -0.56 0.00 0.09 0.00 0.00 57.88 57.57 2dnf h LEU 100 Cb 0.63 0.13 -0.36 0.00 0.09 0.00 0.00 40.66 41.14 2dnf h LEU 100 CO -0.00 -0.27 -0.82 -0.36 0.09 0.00 0.00 178.44 177.08 2dnf s PHE 101 N -3.79 1.79 0.58 1.13 0.40 -1.06 -5.02 117.98 112.01 2dnf s PHE 101 Ca -0.09 -0.94 -0.09 0.00 -0.60 0.00 0.00 56.93 55.21 2dnf s PHE 101 Cb 0.01 -1.39 -0.04 0.00 0.51 0.00 0.00 43.02 42.12 2dnf s PHE 101 CO 0.26 -0.57 0.96 0.16 0.70 0.00 0.00 175.22 176.72 2dnf s ASP 102 N 1.57 6.19 0.01 1.36 1.47 -1.24 -4.71 116.67 121.32 2dnf s ASP 102 Ca 0.04 1.24 -0.21 0.00 1.18 0.00 0.00 52.55 54.80 2dnf s ASP 102 Cb -0.13 -2.36 -0.18 0.00 -0.34 0.00 0.00 42.92 39.92 2dnf s ASP 102 CO -0.09 -0.81 1.24 0.28 0.68 0.00 0.00 175.17 176.47 2dnf h SER 103 N -0.17 0.36 0.00 2.11 0.02 -1.91 -3.48 113.55 110.48 2dnf h SER 103 Ca -0.45 -0.58 0.00 0.00 -0.84 0.00 0.00 61.79 59.92 2dnf h SER 103 Cb 1.20 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.64 2dnf h SER 103 CO 0.62 0.88 0.00 0.61 -1.14 0.00 0.00 176.83 177.80 2dnf n GLY 104 N 0.50 1.34 3.58 -3.77 0.00 -1.26 -5.10 105.19 100.47 2dnf n GLY 104 Ca -0.08 0.05 -0.30 0.00 0.00 0.00 0.00 46.02 45.69 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 1.38 -1.51 0.14 1.61 0.04 -1.26 -4.86 135.00 130.54 2dnf s PRO 105 Ca 0.00 -0.16 -0.29 0.00 0.04 0.00 0.00 61.00 60.58 2dnf s PRO 105 Cb 0.00 -1.57 -0.05 0.00 0.04 0.00 0.00 34.50 32.91 2dnf s PRO 105 CO 0.00 -3.88 1.57 1.03 0.04 0.00 0.00 177.00 175.76 2dnf h SER 106 N -2.70 -1.45 -0.01 6.66 0.87 -2.01 -2.66 113.55 112.24 2dnf h SER 106 Ca -0.43 0.20 -0.00 0.00 -1.23 0.00 0.00 61.79 60.32 2dnf h SER 106 Cb 1.29 0.60 -0.00 0.00 -0.44 0.00 0.00 62.40 63.84 2dnf h SER 106 CO 0.30 -0.42 -0.00 -1.28 -0.53 0.00 0.00 176.83 174.90 2dnf h SER 107 N -0.46 0.02 0.00 6.23 0.87 -2.05 -3.50 113.55 114.66 2dnf h SER 107 Ca 0.09 -0.35 0.00 0.00 -1.23 0.00 0.00 61.79 60.30 2dnf h SER 107 Cb 0.62 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.58 2dnf h SER 107 CO -0.47 0.36 0.00 0.61 -0.53 0.00 0.00 176.83 176.81