#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lca n LEU 2 N 0.00 -0.03 -0.06 -0.89 7.94 -1.26 -1.01 117.00 121.69 1lca n LEU 2 Ca 0.00 0.41 0.12 0.00 -1.11 0.00 0.00 56.01 55.42 1lca n LEU 2 Cb 0.00 -0.15 0.66 0.00 0.53 0.00 0.00 43.42 44.47 1lca n LEU 2 CO 0.00 -0.41 0.93 -1.84 -1.11 0.00 0.00 177.39 174.96 1lca n GLU 3 N -4.11 1.08 0.15 1.96 0.28 -1.26 -4.18 120.64 114.56 1lca n GLU 3 Ca 0.06 -0.11 0.04 0.00 -0.16 0.00 0.00 57.16 56.98 1lca n GLU 3 Cb 0.18 -1.37 0.46 0.00 1.43 0.00 0.00 31.44 32.14 1lca n GLU 3 CO 0.00 0.00 0.00 0.37 -0.16 0.00 0.00 177.13 177.34 1lca h GLN 4 N 0.24 0.18 -1.26 3.44 5.75 -1.47 -2.20 115.11 119.80 1lca h GLN 4 Ca 0.00 -0.03 0.41 0.00 -0.15 0.00 0.00 58.65 58.88 1lca h GLN 4 Cb 0.05 -0.03 -0.13 0.00 1.07 0.00 0.00 27.48 28.45 1lca h GLN 4 CO 0.00 0.27 0.80 -1.35 -2.65 0.00 0.00 178.83 175.90 1lca h PRO 5 N 0.18 0.13 -0.04 -2.39 0.11 -1.85 -0.57 132.00 127.57 1lca h PRO 5 Ca 0.04 -0.01 -0.23 0.00 0.11 0.00 0.00 66.00 65.91 1lca h PRO 5 Cb 0.25 -0.03 0.01 0.00 0.11 0.00 0.00 31.00 31.34 1lca h PRO 5 CO 0.01 0.08 -0.92 -0.92 -0.21 0.00 0.00 178.00 176.05 1lca h TYR 6 N 0.13 0.84 -0.15 0.65 3.20 -1.74 -2.57 116.97 117.34 1lca h TYR 6 Ca 0.79 -0.43 -0.17 0.00 3.14 0.00 0.00 58.73 62.06 1lca h TYR 6 Cb 2.38 -0.11 0.01 0.00 1.54 0.00 0.00 36.73 40.55 1lca h TYR 6 CO -0.01 1.25 -0.56 -0.07 -1.64 0.00 0.00 178.16 177.13 1lca h LEU 7 N 0.35 0.75 -2.60 2.82 3.38 -1.25 0.54 115.31 119.30 1lca h LEU 7 Ca -0.09 -0.61 0.01 0.00 0.09 0.00 0.00 57.88 57.28 1lca h LEU 7 Cb 1.55 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 42.08 1lca h LEU 7 CO 0.17 1.24 0.05 0.44 0.09 0.00 0.00 178.44 180.43 1lca h ASP 8 N 0.31 0.00 0.13 -0.43 3.32 -1.25 0.12 116.42 118.62 1lca h ASP 8 Ca -0.03 0.00 -0.31 0.00 0.02 0.00 0.00 57.03 56.71 1lca h ASP 8 Cb 1.19 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.74 1lca h ASP 8 CO 0.12 0.00 -1.63 0.25 -1.72 0.00 0.00 179.24 176.26 1lca h LEU 9 N 0.00 0.44 -0.56 1.55 5.85 -0.76 -2.64 115.31 119.19 1lca h LEU 9 Ca 0.01 -0.88 -0.03 0.00 0.84 0.00 0.00 57.88 57.82 1lca h LEU 9 Cb 0.12 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 40.98 1lca h LEU 9 CO -0.00 1.71 0.23 0.00 -0.34 0.00 0.00 178.44 180.04 1lca h ALA 10 N 0.00 0.72 0.29 1.25 0.00 0.68 0.26 119.26 122.46 1lca h ALA 10 Ca -0.34 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.39 1lca h ALA 10 Cb 1.89 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 19.47 1lca h ALA 10 CO 0.09 0.33 -0.14 -0.22 0.00 0.00 0.00 179.25 179.31 1lca h LYS 11 N 0.76 -0.38 -1.16 0.00 3.64 -1.15 -3.00 116.57 115.28 1lca h LYS 11 Ca 0.19 0.03 0.33 0.00 -1.27 0.00 0.00 60.65 59.92 1lca h LYS 11 Cb 0.19 0.09 -0.08 0.00 -0.41 0.00 0.00 32.23 32.02 1lca h LYS 11 CO -0.02 -0.25 0.79 -0.22 -2.27 0.00 0.00 179.45 177.48 1lca h LYS 12 N -0.42 0.17 0.32 1.90 3.64 -1.34 0.13 116.57 120.96 1lca h LYS 12 Ca -0.04 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.31 1lca h LYS 12 Cb 0.30 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 1lca h LYS 12 CO 0.07 0.11 -0.15 0.28 -2.27 0.00 0.00 179.45 177.49 1lca h VAL 13 N 0.18 0.00 -1.00 2.00 2.07 -0.45 0.49 116.25 119.54 1lca h VAL 13 Ca 0.62 -0.43 0.40 0.00 0.82 0.00 0.00 66.70 68.11 1lca h VAL 13 Cb 2.02 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 31.63 1lca h VAL 13 CO -0.18 0.00 0.56 -0.11 0.02 0.00 0.00 177.57 177.86 1lca n LEU 14 N -4.35 0.31 0.10 2.57 0.00 -0.14 0.73 117.00 116.22 1lca n LEU 14 Ca -0.05 1.52 -0.15 0.00 0.00 0.00 0.00 56.01 57.33 1lca n LEU 14 Cb 0.17 -0.74 -0.13 0.00 0.00 0.00 0.00 43.42 42.71 1lca n LEU 14 CO 0.13 -1.70 -0.02 -0.78 0.00 0.00 0.00 177.39 175.02 1lca h ASP 15 N 0.00 0.41 0.00 1.96 1.82 -1.12 -3.42 116.42 116.07 1lca h ASP 15 Ca 0.80 -0.43 0.00 0.00 -0.39 0.00 0.00 57.03 57.02 1lca h ASP 15 Cb 2.20 -0.13 0.00 0.00 0.68 0.00 0.00 39.33 42.08 1lca h ASP 15 CO -0.68 1.32 -0.27 -1.84 -1.61 0.00 0.00 179.24 176.17 1lca n GLU 16 N -3.54 0.15 -2.16 0.28 0.00 0.22 -5.02 120.64 110.58 1lca n GLU 16 Ca -0.08 -0.89 -0.39 0.00 0.00 0.00 0.00 57.16 55.81 1lca n GLU 16 Cb 1.00 -0.56 -0.01 0.00 0.00 0.00 0.00 31.44 31.88 1lca n GLU 16 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.13 177.33 1lca s GLY 17 N -0.69 2.88 0.28 -1.84 0.00 0.11 -4.85 107.32 103.21 1lca s GLY 17 Ca 0.01 1.09 -0.08 0.00 0.00 0.00 0.00 44.72 45.75 1lca s GLY 17 CO 0.00 1.63 0.58 0.30 0.00 0.00 0.00 173.10 175.61 1lca s HIS 18 N -1.36 3.45 -0.27 1.90 3.76 -1.17 -4.56 115.29 117.05 1lca s HIS 18 Ca 0.59 0.81 -0.29 0.00 -0.15 0.00 0.00 55.06 56.01 1lca s HIS 18 Cb -0.34 -2.22 -0.00 0.00 1.11 0.00 0.00 32.58 31.12 1lca s HIS 18 CO 0.43 0.18 1.33 0.12 -0.85 0.00 0.00 174.74 175.95 1lca s PHE 19 N -2.00 2.64 -0.07 1.40 2.19 -1.25 -0.97 117.98 119.93 1lca s PHE 19 Ca 0.47 0.85 0.04 0.00 0.33 0.00 0.00 56.93 58.61 1lca s PHE 19 Cb -0.11 -3.85 -0.02 0.00 -1.31 0.00 0.00 43.02 37.74 1lca s PHE 19 CO 0.26 -1.86 -0.18 0.15 1.83 0.00 0.00 175.22 175.41 1lca s LYS 20 N 4.11 2.73 -0.02 10.12 1.02 0.36 -4.92 119.74 133.13 1lca s LYS 20 Ca 0.58 -0.78 -0.30 0.00 0.02 0.00 0.00 55.97 55.49 1lca s LYS 20 Cb -0.19 -2.35 -0.05 0.00 -0.52 0.00 0.00 37.83 34.72 1lca s LYS 20 CO 0.22 0.43 1.48 -1.25 -0.92 0.00 0.00 175.35 175.31 1lca s PRO 21 N -0.24 4.24 0.26 -1.68 0.04 -1.26 -0.53 135.00 135.83 1lca s PRO 21 Ca -0.00 2.04 -0.04 0.00 0.04 0.00 0.00 61.00 63.03 1lca s PRO 21 Cb -0.13 -3.69 0.06 0.00 0.04 0.00 0.00 34.50 30.78 1lca s PRO 21 CO 0.03 -0.67 0.31 -0.40 0.04 0.00 0.00 177.00 176.31 1lca n ASP 22 N 5.92 -0.34 0.27 6.66 5.75 -1.03 -4.97 116.55 128.81 1lca n ASP 22 Ca 0.14 -0.99 0.18 0.00 -0.01 0.00 0.00 54.79 54.12 1lca n ASP 22 Cb 0.43 -0.25 0.96 0.00 -1.03 0.00 0.00 41.12 41.23 1lca n ASP 22 CO 0.00 0.00 0.00 0.08 -0.11 0.00 0.00 177.20 177.17 1lca h ARG 23 N 0.00 0.00 0.00 0.11 0.11 -1.97 -3.36 114.38 109.27 1lca h ARG 23 Ca -0.10 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.98 1lca h ARG 23 Cb 0.30 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.38 1lca h ARG 23 CO 0.07 0.00 0.00 2.41 0.10 0.00 0.00 179.97 182.55 1lca n THR 24 N -2.80 0.00 0.00 0.08 -1.04 -1.26 -5.07 114.28 104.19 1lca n THR 24 Ca -0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.99 1lca n THR 24 Cb 0.09 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.60 1lca n THR 24 CO 0.00 0.00 0.00 1.57 -0.64 0.00 0.00 175.07 176.00 1lca n HIS 25 N 0.00 0.00 -1.08 -1.42 -0.00 -1.26 -5.12 115.22 106.35 1lca n HIS 25 Ca 0.00 0.00 -0.42 0.00 0.46 0.00 0.00 57.72 57.76 1lca n HIS 25 Cb 0.00 0.00 -0.06 0.00 -0.12 0.00 0.00 29.99 29.81 1lca n HIS 25 CO 0.00 0.00 0.00 2.41 0.46 0.00 0.00 176.34 179.21 1lca n THR 26 N -0.87 0.00 -2.42 3.57 -1.04 -1.26 -4.50 114.28 107.76 1lca n THR 26 Ca 0.00 0.00 -0.38 0.00 -2.04 0.00 0.00 64.05 61.63 1lca n THR 26 Cb 0.05 -0.01 -0.03 0.00 -1.82 0.00 0.00 70.33 68.52 1lca n THR 26 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 1lca s GLY 27 N 0.03 2.88 0.03 3.41 0.00 -1.26 -2.48 107.32 109.93 1lca s GLY 27 Ca 0.65 0.86 0.03 0.00 0.00 0.00 0.00 44.72 46.26 1lca s GLY 27 CO 0.41 1.37 -0.09 -0.51 0.00 0.00 0.00 173.10 174.28 1lca s THR 28 N -1.43 0.68 -0.16 0.90 -4.23 0.31 -0.08 115.64 111.62 1lca s THR 28 Ca 0.54 -0.80 -0.08 0.00 -1.18 0.00 0.00 61.69 60.17 1lca s THR 28 Cb -0.28 -0.66 -0.04 0.00 1.34 0.00 0.00 72.50 72.86 1lca s THR 28 CO 0.36 -0.12 0.10 -0.31 -0.54 0.00 0.00 174.62 174.11 1lca s TYR 29 N -0.85 3.40 0.08 3.99 1.51 -0.67 -0.49 117.35 124.32 1lca s TYR 29 Ca -0.03 0.30 0.05 0.00 -1.01 0.00 0.00 57.07 56.39 1lca s TYR 29 Cb -0.07 -2.04 -0.03 0.00 -0.11 0.00 0.00 41.96 39.71 1lca s TYR 29 CO 0.00 0.40 -0.14 0.45 -1.11 0.00 0.00 175.55 175.16 1lca s SER 30 N -0.14 1.68 0.05 2.29 0.15 -0.14 -1.40 113.70 116.19 1lca s SER 30 Ca 0.09 -0.66 0.07 0.00 0.70 0.00 0.00 55.95 56.15 1lca s SER 30 Cb -0.12 -0.05 -0.03 0.00 -1.71 0.00 0.00 66.02 64.12 1lca s SER 30 CO 0.01 -0.10 -0.19 -0.51 1.20 0.00 0.00 173.24 173.64 1lca s ILE 31 N -1.49 1.54 -0.19 6.45 -1.16 0.12 -3.04 121.20 123.43 1lca s ILE 31 Ca -0.00 -1.22 0.01 0.00 -0.51 0.00 0.00 60.65 58.93 1lca s ILE 31 Cb -0.09 -1.36 0.04 0.00 0.61 0.00 0.00 42.46 41.66 1lca s ILE 31 CO 0.02 0.10 -0.10 0.12 -2.81 0.00 0.00 174.94 172.27 1lca s PHE 32 N -0.89 2.33 0.00 3.50 5.36 -1.26 -2.09 117.98 124.93 1lca s PHE 32 Ca 0.06 -1.52 0.00 0.00 -0.96 0.00 0.00 56.93 54.51 1lca s PHE 32 Cb -0.09 -1.61 0.00 0.00 -0.34 0.00 0.00 43.02 40.99 1lca s PHE 32 CO 0.02 -0.73 0.00 0.41 -1.46 0.00 0.00 175.22 173.46 1lca n GLY 33 N 4.71 0.07 3.56 13.12 0.00 -0.30 -5.02 105.19 121.33 1lca n GLY 33 Ca -0.15 -1.06 -0.13 0.00 0.00 0.00 0.00 46.02 44.69 1lca n GLY 33 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1lca s HIS 34 N 0.00 -0.46 -0.02 1.61 2.46 -1.19 -4.99 115.29 112.70 1lca s HIS 34 Ca 0.00 0.79 0.04 0.00 0.47 0.00 0.00 55.06 56.36 1lca s HIS 34 Cb 0.00 0.44 -0.01 0.00 -0.13 0.00 0.00 32.58 32.88 1lca s HIS 34 CO 0.00 -0.42 -0.12 -1.14 -2.47 0.00 0.00 174.74 170.59 1lca s GLN 35 N -1.11 1.05 0.01 2.88 0.74 -1.26 -2.23 119.66 119.75 1lca s GLN 35 Ca -0.04 -0.42 -0.01 0.00 0.05 0.00 0.00 55.36 54.93 1lca s GLN 35 Cb -0.00 -1.00 -0.01 0.00 1.10 0.00 0.00 33.01 33.10 1lca s GLN 35 CO 0.04 0.23 -0.00 0.00 -0.55 0.00 0.00 175.29 175.01 1lca s MET 36 N -0.16 0.27 0.18 1.67 0.23 0.16 -4.92 119.30 116.73 1lca s MET 36 Ca 0.02 -0.46 0.08 0.00 -1.03 0.00 0.00 55.69 54.30 1lca s MET 36 Cb -0.06 0.10 -0.04 0.00 -1.53 0.00 0.00 34.83 33.30 1lca s MET 36 CO -0.00 -0.05 -0.16 1.03 -2.03 0.00 0.00 175.02 173.81 1lca s ARG 37 N -1.17 1.28 -0.13 3.16 0.52 -1.26 -0.46 118.95 120.89 1lca s ARG 37 Ca -0.13 -1.48 -0.08 0.00 -0.52 0.00 0.00 55.73 53.52 1lca s ARG 37 Cb -0.08 -1.19 0.05 0.00 0.52 0.00 0.00 34.95 34.25 1lca s ARG 37 CO -0.01 0.22 0.33 -0.06 0.02 0.00 0.00 175.30 175.80 1lca s PHE 38 N -2.51 -0.44 -0.64 -0.53 0.08 0.56 -4.80 117.98 109.70 1lca s PHE 38 Ca 0.18 1.00 -0.15 0.00 0.12 0.00 0.00 56.93 58.08 1lca s PHE 38 Cb -0.03 0.15 0.16 0.00 -0.57 0.00 0.00 43.02 42.73 1lca s PHE 38 CO 0.06 -0.27 0.59 0.34 -0.10 0.00 0.00 175.22 175.85 1lca s ASP 39 N 1.11 6.38 0.00 1.36 -1.08 -1.26 -0.96 116.67 122.22 1lca s ASP 39 Ca -0.08 -2.13 0.12 0.00 -0.52 0.00 0.00 52.55 49.95 1lca s ASP 39 Cb -0.08 -2.20 0.58 0.00 -1.46 0.00 0.00 42.92 39.76 1lca s ASP 39 CO -0.09 -0.75 1.35 0.18 0.52 0.00 0.00 175.17 176.38 1lca n LEU 40 N 4.76 0.00 0.03 -1.34 4.77 -0.74 -0.51 117.00 123.97 1lca n LEU 40 Ca -0.04 0.39 -0.16 0.00 -0.03 0.00 0.00 56.01 56.17 1lca n LEU 40 Cb 0.43 -0.39 -0.06 0.00 -2.33 0.00 0.00 43.42 41.07 1lca n LEU 40 CO 0.46 -0.23 0.20 0.77 -1.33 0.00 0.00 177.39 177.27 1lca h SER 41 N 0.00 0.78 0.00 -1.43 4.64 -1.70 -3.17 113.55 112.67 1lca h SER 41 Ca 0.00 -0.57 0.00 0.00 -0.47 0.00 0.00 61.79 60.75 1lca h SER 41 Cb 0.16 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 62.02 1lca h SER 41 CO 0.00 1.36 0.00 0.29 -0.87 0.00 0.00 176.83 177.61 1lca n LYS 42 N -3.85 0.71 -1.23 4.77 5.02 0.34 -5.05 118.16 118.87 1lca n LYS 42 Ca -0.08 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.21 1lca n LYS 42 Cb 0.80 -1.33 0.00 0.00 -0.02 0.00 0.00 35.03 34.49 1lca n LYS 42 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1lca n GLY 43 N 0.35 0.48 3.16 0.72 0.00 -1.20 -4.87 105.19 103.84 1lca n GLY 43 Ca 0.11 -1.61 -0.29 0.00 0.00 0.00 0.00 46.02 44.23 1lca n GLY 43 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1lca s PHE 44 N -3.07 2.14 0.00 1.61 5.36 -0.65 -4.55 117.98 118.83 1lca s PHE 44 Ca 0.00 -0.81 0.00 0.00 -0.96 0.00 0.00 56.93 55.16 1lca s PHE 44 Cb 0.00 -1.46 0.00 0.00 -0.34 0.00 0.00 43.02 41.22 1lca s PHE 44 CO 0.00 -0.33 1.22 -0.35 -1.46 0.00 0.00 175.22 174.30 1lca n PRO 45 N 3.51 0.66 -2.77 10.12 -0.04 -1.26 -4.03 135.00 141.20 1lca n PRO 45 Ca -0.20 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 62.85 1lca n PRO 45 Cb 0.53 -1.17 -0.05 0.00 -0.04 0.00 0.00 33.50 32.77 1lca n PRO 45 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1lca s LEU 46 N 0.00 4.50 0.21 1.53 1.43 -1.26 -4.65 118.68 120.43 1lca s LEU 46 Ca 0.00 1.74 -0.31 0.00 -1.03 0.00 0.00 54.13 54.54 1lca s LEU 46 Cb 0.00 -3.53 -0.10 0.00 0.03 0.00 0.00 46.19 42.59 1lca s LEU 46 CO 0.00 -0.05 1.46 -0.76 0.23 0.00 0.00 176.35 177.23 1lca s LEU 47 N -0.05 4.38 0.00 1.79 1.43 -1.26 -4.76 118.68 120.21 1lca s LEU 47 Ca 0.45 2.59 0.23 0.00 -1.03 0.00 0.00 54.13 56.38 1lca s LEU 47 Cb -0.23 -3.61 0.19 0.00 0.03 0.00 0.00 46.19 42.57 1lca s LEU 47 CO 0.29 -0.71 1.19 0.35 0.23 0.00 0.00 176.35 177.70 1lca n THR 48 N 2.99 0.00 1.32 5.49 -2.24 -1.26 -4.37 114.28 116.22 1lca n THR 48 Ca 0.09 -0.05 0.14 0.00 -2.27 0.00 0.00 64.05 61.96 1lca n THR 48 Cb 0.40 0.68 0.49 0.00 -2.10 0.00 0.00 70.33 69.81 1lca n THR 48 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1lca n THR 49 N -1.21 0.00 -3.57 4.28 -2.24 -1.26 0.03 114.28 110.31 1lca n THR 49 Ca 0.06 -0.09 -0.04 0.00 -2.27 0.00 0.00 64.05 61.71 1lca n THR 49 Cb 0.35 0.15 -0.06 0.00 -2.10 0.00 0.00 70.33 68.67 1lca n THR 49 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1lca s LYS 50 N -2.49 0.47 0.07 -0.78 2.20 -1.26 -4.69 119.74 113.26 1lca s LYS 50 Ca 0.26 1.18 -0.31 0.00 -0.36 0.00 0.00 55.97 56.75 1lca s LYS 50 Cb 0.20 0.54 -0.07 0.00 -1.51 0.00 0.00 37.83 36.99 1lca s LYS 50 CO 0.50 -0.30 1.46 0.21 -0.36 0.00 0.00 175.35 176.86 1lca s LYS 51 N 2.77 4.27 -0.16 4.03 2.20 -0.98 -4.59 119.74 127.28 1lca s LYS 51 Ca 0.00 2.11 -0.05 0.00 -0.36 0.00 0.00 55.97 57.67 1lca s LYS 51 Cb -0.13 -3.43 -0.03 0.00 -1.51 0.00 0.00 37.83 32.73 1lca s LYS 51 CO -0.17 -0.56 0.01 0.08 -0.36 0.00 0.00 175.35 174.36 1lca s VAL 52 N 1.89 4.38 -0.57 4.02 1.01 -1.26 -4.78 120.40 125.09 1lca s VAL 52 Ca 0.67 -0.19 -0.27 0.00 0.00 0.00 0.00 61.98 62.19 1lca s VAL 52 Cb -0.36 -2.93 -0.02 0.00 0.00 0.00 0.00 36.38 33.06 1lca s VAL 52 CO 0.29 0.50 1.86 -2.16 0.00 0.00 0.00 175.10 175.59 1lca s PRO 53 N 0.18 2.71 0.09 2.72 0.04 -1.26 -4.95 135.00 134.54 1lca s PRO 53 Ca 0.02 0.75 -0.22 0.00 0.04 0.00 0.00 61.00 61.58 1lca s PRO 53 Cb -0.13 -4.36 -0.13 0.00 0.04 0.00 0.00 34.50 29.91 1lca s PRO 53 CO 0.02 -2.62 1.73 0.35 0.04 0.00 0.00 177.00 176.51 1lca h PHE 54 N 14.80 0.07 -1.54 0.56 3.57 -2.00 -2.18 116.94 130.21 1lca h PHE 54 Ca -0.27 0.00 0.45 0.00 3.53 0.00 0.00 57.97 61.68 1lca h PHE 54 Cb 1.17 -0.02 -0.07 0.00 2.79 0.00 0.00 35.95 39.81 1lca h PHE 54 CO 1.03 0.07 1.09 0.78 -2.23 0.00 0.00 178.31 179.05 1lca h GLY 55 N 0.05 0.21 0.78 2.40 0.00 -1.98 -1.13 103.07 103.40 1lca h GLY 55 Ca 0.02 -0.02 -0.26 0.00 0.00 0.00 0.00 47.33 47.07 1lca h GLY 55 CO -0.00 -0.05 -1.21 -2.00 0.00 0.00 0.00 176.54 173.27 1lca h LEU 56 N 0.03 0.54 -0.21 3.11 5.85 -1.78 -3.06 115.31 119.79 1lca h LEU 56 Ca 0.76 -0.92 -0.05 0.00 0.84 0.00 0.00 57.88 58.51 1lca h LEU 56 Cb 2.93 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 43.78 1lca h LEU 56 CO -0.07 1.56 -0.23 0.40 -0.34 0.00 0.00 178.44 179.76 1lca h ILE 57 N -0.20 0.42 -0.01 4.05 1.08 -1.21 -2.96 117.51 118.67 1lca h ILE 57 Ca -0.23 -1.49 -0.26 0.00 -0.39 0.00 0.00 64.86 62.49 1lca h ILE 57 Cb 1.83 2.12 0.02 0.00 -3.07 0.00 0.00 36.82 37.72 1lca h ILE 57 CO 0.15 0.23 -1.00 0.07 -0.69 0.00 0.00 178.15 176.91 1lca h LYS 58 N 0.00 0.65 0.10 2.37 2.10 -1.41 -2.27 116.57 118.11 1lca h LYS 58 Ca -0.00 -0.69 -0.01 0.00 -2.00 0.00 0.00 60.65 57.96 1lca h LYS 58 Cb 1.10 0.19 0.00 0.00 -0.90 0.00 0.00 32.23 32.63 1lca h LYS 58 CO 0.03 1.28 -0.05 0.66 -2.00 0.00 0.00 179.45 179.37 1lca h SER 59 N 0.37 -0.12 -0.79 7.07 4.64 -1.51 -0.83 113.55 122.38 1lca h SER 59 Ca -0.11 -0.28 0.14 0.00 -0.47 0.00 0.00 61.79 61.06 1lca h SER 59 Cb 1.65 0.03 -0.09 0.00 -0.31 0.00 0.00 62.40 63.68 1lca h SER 59 CO 0.19 0.23 0.37 -0.08 -0.87 0.00 0.00 176.83 176.68 1lca h GLU 60 N -0.48 0.54 0.02 4.77 4.81 -1.62 -1.92 114.58 120.70 1lca h GLU 60 Ca -0.01 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.18 1lca h GLU 60 Cb 0.39 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.65 1lca h GLU 60 CO 0.02 0.35 -0.01 1.25 -0.73 0.00 0.00 179.01 179.90 1lca h LEU 61 N 0.55 -0.03 -1.13 1.64 5.85 -0.75 -0.15 115.31 121.29 1lca h LEU 61 Ca 0.43 -0.13 0.03 0.00 0.84 0.00 0.00 57.88 59.05 1lca h LEU 61 Cb 0.61 0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.59 1lca h LEU 61 CO -0.37 0.11 0.59 -0.07 -0.34 0.00 0.00 178.44 178.37 1lca h LEU 62 N -0.16 0.99 -1.16 2.25 3.38 -0.59 0.22 115.31 120.23 1lca h LEU 62 Ca -0.00 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.88 1lca h LEU 62 Cb 0.15 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1lca h LEU 62 CO 0.01 0.69 -0.18 -0.25 0.09 0.00 0.00 178.44 178.79 1lca h TRP 63 N 1.15 0.39 0.15 1.13 7.01 -0.94 0.13 115.95 124.98 1lca h TRP 63 Ca 0.35 -0.06 -0.01 0.00 2.11 0.00 0.00 58.89 61.28 1lca h TRP 63 Cb -0.02 -0.10 0.00 0.00 -2.10 0.00 0.00 29.16 26.94 1lca h TRP 63 CO -0.00 0.53 -0.07 0.74 -2.79 0.00 0.00 178.44 176.85 1lca h PHE 64 N 0.34 -0.18 0.00 2.65 0.04 0.94 -3.00 116.94 117.72 1lca h PHE 64 Ca 0.06 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.83 1lca h PHE 64 Cb 0.52 0.06 0.00 0.00 2.20 0.00 0.00 35.95 38.73 1lca h PHE 64 CO 0.01 0.08 0.00 1.28 -0.60 0.00 0.00 178.31 179.08 1lca n LEU 65 N -5.07 0.48 -0.92 1.54 4.32 0.55 -0.72 117.00 117.18 1lca n LEU 65 Ca -0.09 0.73 0.09 0.00 -0.02 0.00 0.00 56.01 56.72 1lca n LEU 65 Cb 0.19 -0.79 0.25 0.00 -1.62 0.00 0.00 43.42 41.45 1lca n LEU 65 CO 0.33 -0.89 0.71 1.41 -1.22 0.00 0.00 177.39 177.73 1lca n HIS 66 N -2.15 0.59 -1.48 -1.77 8.25 0.32 -4.78 115.22 114.21 1lca n HIS 66 Ca -0.01 -0.30 -0.14 0.00 -0.26 0.00 0.00 57.72 57.01 1lca n HIS 66 Cb 0.03 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.08 1lca n HIS 66 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1lca n GLY 67 N 1.32 1.21 3.76 -1.41 0.00 0.10 -4.94 105.19 105.22 1lca n GLY 67 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 1lca n GLY 67 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1lca s ASP 68 N -2.18 7.16 -0.14 1.61 -1.08 -1.15 -4.31 116.67 116.59 1lca s ASP 68 Ca 0.00 1.38 0.10 0.00 -0.52 0.00 0.00 52.55 53.51 1lca s ASP 68 Cb 0.00 -2.44 -0.16 0.00 -1.46 0.00 0.00 42.92 38.87 1lca s ASP 68 CO 0.00 0.07 0.02 0.35 0.52 0.00 0.00 175.17 176.13 1lca n THR 69 N 2.59 0.92 -1.67 1.71 -2.24 -1.26 -4.53 114.28 109.81 1lca n THR 69 Ca -0.04 -0.54 -0.46 0.00 -2.27 0.00 0.00 64.05 60.74 1lca n THR 69 Cb 0.50 -0.72 -0.04 0.00 -2.10 0.00 0.00 70.33 67.98 1lca n THR 69 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1lca n ASN 70 N -2.57 3.73 0.17 3.42 2.85 -1.21 -4.42 115.26 117.22 1lca n ASN 70 Ca -0.23 0.95 0.09 0.00 -0.11 0.00 0.00 54.58 55.27 1lca n ASN 70 Cb 0.92 -1.43 0.46 0.00 1.24 0.00 0.00 39.78 40.96 1lca n ASN 70 CO 0.00 0.00 0.00 -0.38 -2.11 0.00 0.00 177.26 174.77 1lca n ILE 71 N 5.25 0.75 0.29 -1.44 2.08 0.63 -3.23 119.36 123.70 1lca n ILE 71 Ca 0.21 0.75 -0.17 0.00 0.56 0.00 0.00 62.75 64.10 1lca n ILE 71 Cb 0.34 -1.75 -0.08 0.00 -0.75 0.00 0.00 39.64 37.40 1lca n ILE 71 CO 0.00 0.00 0.00 -0.09 0.56 0.00 0.00 176.55 177.02 1lca h ARG 72 N 0.00 -0.83 -0.73 0.38 2.43 -1.88 -3.20 114.38 110.55 1lca h ARG 72 Ca 0.00 0.06 0.14 0.00 -0.81 0.00 0.00 59.98 59.37 1lca h ARG 72 Cb 0.38 0.19 -0.14 0.00 -0.42 0.00 0.00 29.97 29.98 1lca h ARG 72 CO 0.00 -0.55 -0.19 0.34 -1.51 0.00 0.00 179.97 178.06 1lca n PHE 73 N -5.50 0.25 -0.20 2.20 -0.00 -1.20 0.50 117.46 113.51 1lca n PHE 73 Ca -0.11 0.89 -0.05 0.00 -0.00 0.00 0.00 57.45 58.18 1lca n PHE 73 Cb 0.40 -0.92 0.05 0.00 -0.00 0.00 0.00 39.48 39.00 1lca n PHE 73 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.76 176.69 1lca h LEU 74 N 0.00 0.61 -1.17 -2.13 4.07 -1.80 -1.30 115.31 113.59 1lca h LEU 74 Ca 0.35 -0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.30 1lca h LEU 74 Cb 0.53 -0.14 -0.04 0.00 1.08 0.00 0.00 40.66 42.09 1lca h LEU 74 CO -0.75 0.43 0.51 -0.07 -1.08 0.00 0.00 178.44 177.47 1lca h LEU 75 N 0.73 0.94 -0.76 1.67 -0.00 0.04 0.87 115.31 118.79 1lca h LEU 75 Ca 0.23 -0.04 -0.04 0.00 -0.00 0.00 0.00 57.88 58.03 1lca h LEU 75 Cb -0.02 -0.24 -0.03 0.00 -0.00 0.00 0.00 40.66 40.37 1lca h LEU 75 CO -0.08 0.70 0.33 1.56 -0.00 0.00 0.00 178.44 180.95 1lca h GLN 76 N 1.09 1.12 -1.96 1.13 1.08 -0.66 -2.92 115.11 114.00 1lca h GLN 76 Ca 0.29 -0.19 -0.70 0.00 -1.45 0.00 0.00 58.65 56.61 1lca h GLN 76 Cb -0.09 -0.19 -0.34 0.00 -0.05 0.00 0.00 27.48 26.82 1lca h GLN 76 CO -0.06 0.90 0.27 0.72 -0.95 0.00 0.00 178.83 179.71 1lca n HIS 77 N -4.34 3.24 -1.43 2.96 8.25 0.19 -4.93 115.22 119.15 1lca n HIS 77 Ca 0.07 -2.87 0.00 0.00 -0.26 0.00 0.00 57.72 54.66 1lca n HIS 77 Cb 0.16 -0.76 0.00 0.00 1.12 0.00 0.00 29.99 30.51 1lca n HIS 77 CO 0.00 0.00 0.00 -2.13 0.64 0.00 0.00 176.34 174.85 1lca n ARG 78 N -0.38 -0.15 -5.19 -0.41 3.00 -0.57 -4.86 116.66 108.10 1lca n ARG 78 Ca 0.45 -0.08 -0.30 0.00 -0.00 0.00 0.00 57.85 57.92 1lca n ARG 78 Cb 0.38 0.14 -0.16 0.00 0.00 0.00 0.00 32.46 32.82 1lca n ARG 78 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.63 178.84 1lca s ASN 79 N -1.44 2.82 -0.04 6.15 3.84 -0.52 -5.02 114.94 120.72 1lca s ASN 79 Ca 0.00 -0.44 0.06 0.00 0.21 0.00 0.00 52.86 52.69 1lca s ASN 79 Cb 0.00 -0.44 0.09 0.00 -0.55 0.00 0.00 41.25 40.36 1lca s ASN 79 CO 0.00 0.28 0.99 1.41 -2.79 0.00 0.00 177.10 176.99 1lca n HIS 80 N 2.62 0.00 0.28 0.43 8.25 -1.26 -4.09 115.22 121.45 1lca n HIS 80 Ca -0.16 -0.36 0.16 0.00 -0.26 0.00 0.00 57.72 57.10 1lca n HIS 80 Cb 0.52 -0.08 0.91 0.00 1.12 0.00 0.00 29.99 32.46 1lca n HIS 80 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 1lca h ILE 81 N 3.77 0.48 -0.15 1.59 2.04 -1.97 -2.80 117.51 120.48 1lca h ILE 81 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 1lca h ILE 81 Cb 1.16 0.95 0.00 0.00 -0.74 0.00 0.00 36.82 38.19 1lca h ILE 81 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 178.15 178.94 1lca n TRP 82 N -3.79 0.32 0.08 1.37 7.02 -1.26 -4.85 117.44 116.32 1lca n TRP 82 Ca -0.02 -0.68 -0.12 0.00 -1.02 0.00 0.00 57.50 55.66 1lca n TRP 82 Cb 0.15 -0.12 -0.08 0.00 -2.42 0.00 0.00 31.31 28.84 1lca n TRP 82 CO 0.00 0.00 0.00 -0.44 -2.02 0.00 0.00 177.69 175.23 1lca h ASP 83 N 0.92 -0.22 -1.08 -0.99 3.32 -1.86 -3.32 116.42 113.18 1lca h ASP 83 Ca 0.00 -0.31 0.39 0.00 0.02 0.00 0.00 57.03 57.13 1lca h ASP 83 Cb 0.86 0.06 -0.12 0.00 0.22 0.00 0.00 39.33 40.34 1lca h ASP 83 CO 0.04 0.27 0.68 -0.62 -1.72 0.00 0.00 179.24 177.89 1lca n GLU 84 N -4.98 -0.03 0.14 3.56 1.02 -1.26 -0.50 120.64 118.59 1lca n GLU 84 Ca -0.08 1.06 -0.14 0.00 -0.02 0.00 0.00 57.16 57.99 1lca n GLU 84 Cb 0.26 -2.06 -0.08 0.00 -0.02 0.00 0.00 31.44 29.54 1lca n GLU 84 CO 0.00 0.00 0.00 -1.49 1.18 0.00 0.00 177.13 176.82 1lca h TRP 85 N 0.00 -0.32 -0.57 -0.32 -0.00 -1.96 -2.53 115.95 110.25 1lca h TRP 85 Ca 0.73 -0.01 0.04 0.00 -0.00 0.00 0.00 58.89 59.65 1lca h TRP 85 Cb 2.26 0.11 -0.03 0.00 -0.00 0.00 0.00 29.16 31.50 1lca h TRP 85 CO -0.01 -0.04 0.38 0.00 -0.00 0.00 0.00 178.44 178.77 1lca h ALA 86 N 0.09 1.74 0.29 1.49 0.00 -0.96 -0.76 119.26 121.16 1lca h ALA 86 Ca -0.04 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1lca h ALA 86 Cb 0.42 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1lca h ALA 86 CO 0.06 0.19 -0.14 0.35 0.00 0.00 0.00 179.25 179.71 1lca h PHE 87 N 0.63 -0.36 -0.46 0.00 3.57 -1.36 0.21 116.94 119.17 1lca h PHE 87 Ca 0.23 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.78 1lca h PHE 87 Cb 0.13 0.12 -0.03 0.00 2.79 0.00 0.00 35.95 38.97 1lca h PHE 87 CO -0.00 -0.16 0.31 1.05 -2.23 0.00 0.00 178.31 177.28 1lca h GLU 88 N -0.48 0.38 -0.32 1.11 4.11 -0.72 0.40 114.58 119.06 1lca h GLU 88 Ca -0.04 -0.02 -0.10 0.00 0.07 0.00 0.00 59.36 59.27 1lca h GLU 88 Cb 0.36 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 1lca h GLU 88 CO 0.06 0.25 -0.21 -0.22 0.07 0.00 0.00 179.01 178.96 1lca h LYS 89 N 0.39 0.61 0.03 1.06 1.63 -0.70 -2.04 116.57 117.55 1lca h LYS 89 Ca 0.20 -0.22 -0.00 0.00 -0.85 0.00 0.00 60.65 59.77 1lca h LYS 89 Cb 0.29 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 31.89 1lca h LYS 89 CO -0.05 0.78 -0.02 2.35 -3.45 0.00 0.00 179.45 179.06 1lca h TRP 90 N 0.54 -0.04 0.00 1.91 -0.00 0.17 -3.26 115.95 115.27 1lca h TRP 90 Ca 0.08 -0.00 -0.06 0.00 -0.00 0.00 0.00 58.89 58.91 1lca h TRP 90 Cb 0.66 0.01 -0.01 0.00 -0.00 0.00 0.00 29.16 29.83 1lca h TRP 90 CO 0.03 0.63 -0.28 -0.24 -0.00 0.00 0.00 178.44 178.57 1lca h VAL 91 N -0.80 1.19 0.00 2.65 3.04 -0.34 -2.94 116.25 119.05 1lca h VAL 91 Ca -0.00 -0.97 0.00 0.00 -1.01 0.00 0.00 66.70 64.71 1lca h VAL 91 Cb 0.69 1.53 0.00 0.00 -2.01 0.00 0.00 31.29 31.49 1lca h VAL 91 CO 0.01 0.28 0.00 0.50 -1.01 0.00 0.00 177.57 177.34 1lca h LYS 92 N 0.00 0.00 -7.48 4.17 3.11 -1.46 -3.43 116.57 111.48 1lca h LYS 92 Ca -0.00 0.00 -0.46 0.00 -2.81 0.00 0.00 60.65 57.38 1lca h LYS 92 Cb 0.50 0.00 0.10 0.00 -1.00 0.00 0.00 32.23 31.83 1lca h LYS 92 CO 0.04 0.00 0.31 -1.54 -2.81 0.00 0.00 179.45 175.45 1lca s SER 93 N -5.71 4.44 0.03 4.20 1.04 -1.11 -4.93 113.70 111.66 1lca s SER 93 Ca 0.06 0.50 0.02 0.00 0.48 0.00 0.00 55.95 57.01 1lca s SER 93 Cb 0.07 -1.00 0.09 0.00 0.10 0.00 0.00 66.02 65.29 1lca s SER 93 CO 0.61 -1.88 0.96 -0.90 0.98 0.00 0.00 173.24 173.01 1lca n ASP 94 N -3.18 0.04 -0.11 7.02 5.75 -1.26 -3.25 116.55 121.58 1lca n ASP 94 Ca 0.09 0.43 -0.12 0.00 -0.01 0.00 0.00 54.79 55.18 1lca n ASP 94 Cb 0.61 -0.43 -0.15 0.00 -1.03 0.00 0.00 41.12 40.12 1lca n ASP 94 CO 0.00 0.00 0.00 1.21 -0.11 0.00 0.00 177.20 178.30 1lca n GLU 95 N -1.48 0.68 -1.11 0.11 0.00 -1.26 -4.96 120.64 112.61 1lca n GLU 95 Ca -0.00 0.05 -0.47 0.00 0.00 0.00 0.00 57.16 56.74 1lca n GLU 95 Cb 0.10 -1.53 -0.08 0.00 0.00 0.00 0.00 31.44 29.93 1lca n GLU 95 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.13 178.11 1lca n TYR 96 N -2.92 1.09 -4.46 4.31 9.36 -1.20 -4.95 117.16 118.39 1lca n TYR 96 Ca -0.36 0.72 -0.24 0.00 3.32 0.00 0.00 57.90 61.33 1lca n TYR 96 Cb 1.11 -1.64 -0.10 0.00 -0.63 0.00 0.00 39.34 38.07 1lca n TYR 96 CO 0.00 0.00 0.00 -1.01 0.22 0.00 0.00 176.86 176.07 1lca s HIS 97 N 3.15 2.26 0.00 2.98 3.76 -1.26 -4.98 115.29 121.20 1lca s HIS 97 Ca 0.81 -0.35 0.00 0.00 -0.15 0.00 0.00 55.06 55.38 1lca s HIS 97 Cb -1.09 -0.99 0.00 0.00 1.11 0.00 0.00 32.58 31.60 1lca s HIS 97 CO 0.55 0.68 0.00 0.41 -0.85 0.00 0.00 174.74 175.53 1lca n GLY 98 N -0.52 1.27 2.58 -2.22 0.00 -1.26 -5.06 105.19 99.98 1lca n GLY 98 Ca -0.06 -0.94 -0.18 0.00 0.00 0.00 0.00 46.02 44.84 1lca n GLY 98 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1lca n PRO 99 N 4.40 -0.51 -0.71 1.61 -0.02 -1.26 -4.94 135.00 133.57 1lca n PRO 99 Ca 0.00 -1.53 -0.27 0.00 -2.02 0.00 0.00 63.50 59.68 1lca n PRO 99 Cb 0.00 -0.75 -0.04 0.00 -0.02 0.00 0.00 33.50 32.70 1lca n PRO 99 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1lca n ASP 100 N -3.35 2.91 0.24 2.55 5.68 -1.26 -4.59 116.55 118.74 1lca n ASP 100 Ca 0.11 -2.39 0.16 0.00 -0.50 0.00 0.00 54.79 52.17 1lca n ASP 100 Cb 0.39 -0.93 0.67 0.00 -1.14 0.00 0.00 41.12 40.11 1lca n ASP 100 CO 0.00 0.00 0.00 0.24 -1.33 0.00 0.00 177.20 176.11 1lca h MET 101 N 7.48 0.00 -4.17 0.11 2.86 -1.97 -3.42 114.93 115.81 1lca h MET 101 Ca 0.36 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.00 1lca h MET 101 Cb 0.34 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.00 1lca h MET 101 CO 1.59 0.00 0.38 2.41 1.06 0.00 0.00 176.91 182.35 1lca n THR 102 N -2.85 0.00 0.00 2.22 -1.04 -1.26 0.04 114.28 111.39 1lca n THR 102 Ca 0.01 -0.38 0.00 0.00 -2.04 0.00 0.00 64.05 61.64 1lca n THR 102 Cb 0.26 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.77 1lca n THR 102 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1lca n ASP 103 N 2.89 0.00 0.00 8.00 8.00 -1.26 -5.07 116.55 129.11 1lca n ASP 103 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1lca n ASP 103 Cb 0.19 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.29 1lca n ASP 103 CO 0.00 0.00 0.00 2.22 -0.39 0.00 0.00 177.20 179.03 1lca n PHE 104 N 0.00 0.00 0.31 1.24 -1.74 0.11 -0.32 117.46 117.06 1lca n PHE 104 Ca 0.00 0.00 0.19 0.00 -0.56 0.00 0.00 57.45 57.08 1lca n PHE 104 Cb 0.00 0.00 1.06 0.00 1.52 0.00 0.00 39.48 42.06 1lca n PHE 104 CO 0.00 0.00 0.00 0.78 -0.56 0.00 0.00 176.76 176.98 1lca h GLY 105 N 0.00 0.00 1.42 4.97 0.00 -1.99 -2.67 103.07 104.80 1lca h GLY 105 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1lca h GLY 105 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 176.54 178.11 1lca n HIS 106 N -3.33 0.00 -3.09 5.60 -0.00 0.57 -1.71 115.22 113.26 1lca n HIS 106 Ca -0.02 0.00 -0.18 0.00 -0.00 0.00 0.00 57.72 57.52 1lca n HIS 106 Cb 0.14 -0.21 -0.02 0.00 -0.00 0.00 0.00 29.99 29.90 1lca n HIS 106 CO 0.00 0.00 0.00 2.89 -0.00 0.00 0.00 176.34 179.23 1lca n ARG 107 N -1.21 0.86 0.04 1.57 -4.01 -1.01 -4.91 116.66 107.98 1lca n ARG 107 Ca 0.12 -2.97 0.00 0.00 -1.04 0.00 0.00 57.85 53.95 1lca n ARG 107 Cb 0.15 -1.42 0.00 0.00 -3.04 0.00 0.00 32.46 28.15 1lca n ARG 107 CO 0.00 0.00 0.00 0.43 -3.04 0.00 0.00 177.63 175.02 1lca n SER 108 N 0.87 0.27 -0.00 2.89 7.64 -0.69 -4.48 113.62 120.12 1lca n SER 108 Ca 0.20 0.11 0.23 0.00 1.01 0.00 0.00 58.87 60.42 1lca n SER 108 Cb 0.61 -0.03 0.70 0.00 -1.01 0.00 0.00 64.21 64.48 1lca n SER 108 CO 0.00 0.00 0.00 0.06 -3.01 0.00 0.00 175.04 172.09 1lca h GLN 109 N 0.00 0.00 -3.61 1.43 -0.00 -1.92 -3.33 115.11 107.68 1lca h GLN 109 Ca 0.00 0.00 -0.22 0.00 -0.00 0.00 0.00 58.65 58.43 1lca h GLN 109 Cb 0.00 0.00 -0.28 0.00 -0.00 0.00 0.00 27.48 27.20 1lca h GLN 109 CO 0.00 0.00 -0.67 0.15 -0.00 0.00 0.00 178.83 178.31 1lca s LYS 110 N -4.63 0.05 0.00 0.06 1.02 -1.26 -5.08 119.74 109.89 1lca s LYS 110 Ca -0.04 0.08 0.00 0.00 0.02 0.00 0.00 55.97 56.02 1lca s LYS 110 Cb 0.16 0.01 0.00 0.00 -0.52 0.00 0.00 37.83 37.48 1lca s LYS 110 CO 0.57 -0.02 0.00 -0.25 -0.92 0.00 0.00 175.35 174.73 1lca n ASP 111 N 3.15 0.00 0.00 2.83 10.43 -1.25 -4.06 116.55 127.64 1lca n ASP 111 Ca -0.13 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.23 1lca n ASP 111 Cb 0.59 0.00 0.00 0.00 1.84 0.00 0.00 41.12 43.55 1lca n ASP 111 CO 0.00 0.00 0.00 -2.65 -1.07 0.00 0.00 177.20 173.48 1lca n PRO 112 N 0.00 0.00 -0.24 -0.24 -0.02 -1.26 -4.98 135.00 128.25 1lca n PRO 112 Ca 0.00 0.00 0.03 0.00 -2.02 0.00 0.00 63.50 61.51 1lca n PRO 112 Cb 0.00 0.00 0.13 0.00 -0.02 0.00 0.00 33.50 33.61 1lca n PRO 112 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 1lca n GLU 113 N 0.00 2.07 -0.28 -0.52 0.00 -1.26 -4.82 120.64 115.83 1lca n GLU 113 Ca 0.00 -0.99 0.07 0.00 0.00 0.00 0.00 57.16 56.24 1lca n GLU 113 Cb 0.00 -1.58 0.18 0.00 0.00 0.00 0.00 31.44 30.04 1lca n GLU 113 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.13 177.87 1lca h PHE 114 N 1.36 -0.09 -1.33 -1.84 -1.00 -1.91 -1.66 116.94 110.48 1lca h PHE 114 Ca 0.00 0.06 0.38 0.00 2.81 0.00 0.00 57.97 61.23 1lca h PHE 114 Cb 0.78 0.17 -0.05 0.00 3.61 0.00 0.00 35.95 40.46 1lca h PHE 114 CO 0.30 -0.29 1.10 0.00 -1.61 0.00 0.00 178.31 177.81 1lca h ALA 115 N 1.78 3.22 0.18 2.45 0.00 -1.87 0.88 119.26 125.91 1lca h ALA 115 Ca 0.45 -0.05 -0.30 0.00 0.00 0.00 0.00 54.91 55.01 1lca h ALA 115 Cb 0.82 0.10 0.02 0.00 0.00 0.00 0.00 17.79 18.74 1lca h ALA 115 CO -0.74 -1.78 -1.34 0.00 0.00 0.00 0.00 179.25 175.38 1lca h ALA 116 N 1.05 -0.02 0.12 0.00 0.00 -1.71 -2.88 119.26 115.82 1lca h ALA 116 Ca 0.63 -0.86 -0.35 0.00 0.00 0.00 0.00 54.91 54.33 1lca h ALA 116 Cb 2.82 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 20.68 1lca h ALA 116 CO -0.01 0.82 -1.87 -0.39 0.00 0.00 0.00 179.25 177.80 1lca h VAL 117 N 0.13 0.76 0.21 0.00 -1.51 0.34 -1.55 116.25 114.63 1lca h VAL 117 Ca -0.19 -2.47 -0.01 0.00 -1.23 0.00 0.00 66.70 62.80 1lca h VAL 117 Cb 2.05 2.57 0.00 0.00 -2.13 0.00 0.00 31.29 33.78 1lca h VAL 117 CO 0.24 0.83 -0.10 0.22 -1.23 0.00 0.00 177.57 177.53 1lca h TYR 118 N 0.07 -0.27 -0.23 5.19 3.20 -0.09 -0.57 116.97 124.26 1lca h TYR 118 Ca -0.37 -0.01 -0.13 0.00 3.14 0.00 0.00 58.73 61.36 1lca h TYR 118 Cb 2.04 0.09 -0.01 0.00 1.54 0.00 0.00 36.73 40.39 1lca h TYR 118 CO 0.07 0.12 -0.40 0.45 -1.64 0.00 0.00 178.16 176.76 1lca h HIS 119 N -0.77 0.64 -0.41 -3.82 -0.00 -1.61 0.74 115.15 109.92 1lca h HIS 119 Ca -0.03 -0.18 -0.05 0.00 -0.00 0.00 0.00 60.37 60.11 1lca h HIS 119 Cb 0.51 -0.14 -0.02 0.00 -0.00 0.00 0.00 27.41 27.76 1lca h HIS 119 CO 0.06 0.86 0.08 0.93 -0.00 0.00 0.00 177.93 179.85 1lca h GLU 120 N 0.45 0.67 -0.66 2.45 4.39 -1.34 0.14 114.58 120.68 1lca h GLU 120 Ca 0.04 -0.17 0.12 0.00 0.34 0.00 0.00 59.36 59.69 1lca h GLU 120 Cb 0.89 -0.08 -0.09 0.00 -0.10 0.00 0.00 28.75 29.37 1lca h GLU 120 CO 0.08 0.71 0.21 1.49 -1.16 0.00 0.00 179.01 180.34 1lca h GLU 121 N 0.53 0.35 0.60 2.33 4.57 -0.68 0.41 114.58 122.69 1lca h GLU 121 Ca 0.13 -0.02 -0.03 0.00 -1.18 0.00 0.00 59.36 58.26 1lca h GLU 121 Cb 0.35 -0.08 0.01 0.00 -0.16 0.00 0.00 28.75 28.87 1lca h GLU 121 CO 0.01 0.23 -0.29 1.98 -1.18 0.00 0.00 179.01 179.76 1lca h MET 122 N 0.36 -0.78 -0.84 1.92 4.05 -0.39 -2.74 114.93 116.52 1lca h MET 122 Ca 0.35 0.05 0.08 0.00 -0.28 0.00 0.00 59.70 59.91 1lca h MET 122 Cb 0.51 0.18 -0.07 0.00 -0.80 0.00 0.00 31.60 31.42 1lca h MET 122 CO -0.38 -0.47 0.50 0.00 0.23 0.00 0.00 176.91 176.79 1lca h ALA 123 N -0.76 1.18 -0.13 0.39 0.00 -0.20 0.18 119.26 119.93 1lca h ALA 123 Ca -0.08 0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.88 1lca h ALA 123 Cb 0.67 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1lca h ALA 123 CO 0.14 0.17 0.13 0.87 0.00 0.00 0.00 179.25 180.55 1lca h LYS 124 N 0.86 0.00 0.04 0.00 1.57 -0.78 0.55 116.57 118.82 1lca h LYS 124 Ca 0.39 0.00 -0.36 0.00 -1.87 0.00 0.00 60.65 58.80 1lca h LYS 124 Cb 0.29 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.55 1lca h LYS 124 CO -0.22 0.00 -2.19 0.34 -0.57 0.00 0.00 179.45 176.81 1lca n PHE 125 N -3.96 0.59 0.20 -1.35 7.35 -0.59 -1.88 117.46 117.82 1lca n PHE 125 Ca 0.00 0.14 0.04 0.00 -0.76 0.00 0.00 57.45 56.88 1lca n PHE 125 Cb 0.24 -1.08 0.44 0.00 0.35 0.00 0.00 39.48 39.42 1lca n PHE 125 CO 0.00 0.00 0.00 -0.44 -0.76 0.00 0.00 176.76 175.56 1lca h ASP 126 N 0.03 0.00 0.13 -2.13 3.32 0.46 -0.16 116.42 118.06 1lca h ASP 126 Ca -0.48 0.00 -0.29 0.00 0.02 0.00 0.00 57.03 56.28 1lca h ASP 126 Cb 2.01 0.00 0.03 0.00 0.22 0.00 0.00 39.33 41.59 1lca h ASP 126 CO 0.01 0.29 -1.22 -0.78 -1.72 0.00 0.00 179.24 175.82 1lca h ASP 127 N 0.00 0.86 0.05 6.45 3.58 -0.02 -2.74 116.42 124.60 1lca h ASP 127 Ca -0.00 -0.83 0.02 0.00 0.42 0.00 0.00 57.03 56.64 1lca h ASP 127 Cb 0.52 -0.27 -0.03 0.00 1.72 0.00 0.00 39.33 41.27 1lca h ASP 127 CO 0.04 1.60 -0.20 -0.09 -2.88 0.00 0.00 179.24 177.71 1lca h ARG 128 N 0.23 -0.34 -0.92 0.28 2.43 -0.90 -3.02 114.38 112.14 1lca h ARG 128 Ca -0.19 0.02 0.09 0.00 -0.81 0.00 0.00 59.98 59.09 1lca h ARG 128 Cb 1.90 0.08 -0.07 0.00 -0.42 0.00 0.00 29.97 31.46 1lca h ARG 128 CO 0.23 -0.23 0.59 0.28 -1.51 0.00 0.00 179.97 179.34 1lca h VAL 129 N -0.35 1.00 0.00 0.20 2.07 -1.04 0.32 116.25 118.45 1lca h VAL 129 Ca 0.04 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 67.23 1lca h VAL 129 Cb 0.40 -0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.12 1lca h VAL 129 CO -0.16 0.18 0.00 0.25 0.02 0.00 0.00 177.57 177.86 1lca h LEU 130 N 0.97 0.00 0.00 2.57 5.85 -1.44 -3.40 115.31 119.87 1lca h LEU 130 Ca 0.42 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.14 1lca h LEU 130 Cb 0.33 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.36 1lca h LEU 130 CO -0.18 0.00 -0.76 1.41 -0.34 0.00 0.00 178.44 178.57 1lca n HIS 131 N -2.35 0.00 -3.20 1.25 8.25 0.45 -4.99 115.22 114.64 1lca n HIS 131 Ca 0.02 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.08 1lca n HIS 131 Cb 0.27 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.31 1lca n HIS 131 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1lca s ASP 132 N -3.13 6.51 -0.05 0.41 -1.08 0.84 -4.94 116.67 115.23 1lca s ASP 132 Ca 0.00 0.62 -0.15 0.00 -0.52 0.00 0.00 52.55 52.50 1lca s ASP 132 Cb 0.00 -2.30 -0.10 0.00 -1.46 0.00 0.00 42.92 39.06 1lca s ASP 132 CO 0.00 -0.29 0.62 -0.78 0.52 0.00 0.00 175.17 175.24 1lca h ASP 133 N 7.84 -0.33 -0.39 -0.34 1.82 -1.87 -0.21 116.42 122.94 1lca h ASP 133 Ca -0.29 -0.10 0.11 0.00 -0.39 0.00 0.00 57.03 56.36 1lca h ASP 133 Cb 1.14 0.08 -0.02 0.00 0.68 0.00 0.00 39.33 41.22 1lca h ASP 133 CO 0.74 0.15 0.35 0.00 -1.61 0.00 0.00 179.24 178.87 1lca h ALA 134 N -0.89 2.17 -0.14 -0.78 0.00 -1.97 0.19 119.26 117.84 1lca h ALA 134 Ca -0.04 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 1lca h ALA 134 Cb 0.40 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 1lca h ALA 134 CO 0.07 -0.55 -0.11 0.35 0.00 0.00 0.00 179.25 179.00 1lca h PHE 135 N 0.00 0.38 -0.13 0.00 3.04 -1.92 -1.86 116.94 116.46 1lca h PHE 135 Ca 0.18 -0.11 0.05 0.00 3.98 0.00 0.00 57.97 62.07 1lca h PHE 135 Cb 0.89 -0.08 -0.06 0.00 2.56 0.00 0.00 35.95 39.25 1lca h PHE 135 CO 0.00 0.69 -0.32 0.00 -2.02 0.00 0.00 178.31 176.66 1lca h ALA 136 N 0.63 -0.38 -0.64 2.41 0.00 0.12 0.11 119.26 121.50 1lca h ALA 136 Ca 0.03 0.02 0.19 0.00 0.00 0.00 0.00 54.91 55.14 1lca h ALA 136 Cb 0.62 0.61 -0.03 0.00 0.00 0.00 0.00 17.79 18.99 1lca h ALA 136 CO 0.03 -0.80 0.56 0.00 0.00 0.00 0.00 179.25 179.04 1lca h ALA 137 N 0.41 2.47 -0.26 0.00 0.00 -0.90 -0.55 119.26 120.43 1lca h ALA 137 Ca 0.09 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1lca h ALA 137 Cb 0.55 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1lca h ALA 137 CO -0.35 -0.89 0.00 1.17 0.00 0.00 0.00 179.25 179.18 1lca n LYS 138 N -3.93 0.00 -0.08 0.00 4.81 0.26 -4.69 118.16 114.53 1lca n LYS 138 Ca 0.13 0.17 -0.07 0.00 -0.87 0.00 0.00 58.31 57.67 1lca n LYS 138 Cb 0.81 -0.64 -0.16 0.00 0.02 0.00 0.00 35.03 35.05 1lca n LYS 138 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1lca n TYR 139 N -2.21 0.00 0.46 5.64 4.02 -0.43 -4.08 117.16 120.57 1lca n TYR 139 Ca 0.00 0.00 0.06 0.00 -0.01 0.00 0.00 57.90 57.95 1lca n TYR 139 Cb 0.00 -0.90 0.27 0.00 -0.02 0.00 0.00 39.34 38.69 1lca n TYR 139 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1lca n GLY 140 N 1.71 -0.86 0.22 2.72 0.00 -0.22 -3.77 105.19 105.00 1lca n GLY 140 Ca -0.28 -0.05 0.05 0.00 0.00 0.00 0.00 46.02 45.75 1lca n GLY 140 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1lca h ASP 141 N 0.00 0.00 0.00 1.61 1.82 -1.68 0.18 116.42 118.35 1lca h ASP 141 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1lca h ASP 141 Cb 0.18 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.19 1lca h ASP 141 CO 0.00 0.18 0.00 0.18 -1.61 0.00 0.00 179.24 177.99 1lca n LEU 142 N -4.30 0.00 0.00 2.28 4.32 -1.25 -3.35 117.00 114.70 1lca n LEU 142 Ca -0.02 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.97 1lca n LEU 142 Cb 0.25 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.05 1lca n LEU 142 CO 0.36 0.00 0.00 0.61 -1.22 0.00 0.00 177.39 177.14 1lca n GLY 143 N -0.01 1.52 3.27 -0.72 0.00 -1.26 -4.68 105.19 103.31 1lca n GLY 143 Ca 0.00 -0.42 -0.44 0.00 0.00 0.00 0.00 46.02 45.16 1lca n GLY 143 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1lca s LEU 144 N 0.00 6.11 0.46 0.99 2.01 -1.26 -4.60 118.68 122.38 1lca s LEU 144 Ca 0.00 -2.05 0.03 0.00 0.01 0.00 0.00 54.13 52.12 1lca s LEU 144 Cb 0.00 -2.13 -0.02 0.00 0.01 0.00 0.00 46.19 44.05 1lca s LEU 144 CO 0.00 -0.74 0.07 0.68 1.01 0.00 0.00 176.35 177.38 1lca s VAL 145 N 1.18 0.87 0.59 -1.59 -7.23 -1.26 -4.97 120.40 108.00 1lca s VAL 145 Ca 0.07 -2.00 0.30 0.00 -1.81 0.00 0.00 61.98 58.54 1lca s VAL 145 Cb -0.25 -2.26 0.36 0.00 0.56 0.00 0.00 36.38 34.79 1lca s VAL 145 CO -0.01 0.00 2.24 1.88 -0.31 0.00 0.00 175.10 178.90 1lca h TYR 146 N 1.58 0.00 -0.37 2.82 0.05 -1.95 0.22 116.97 119.32 1lca h TYR 146 Ca -0.39 0.00 -0.07 0.00 0.05 0.00 0.00 58.73 58.32 1lca h TYR 146 Cb 1.29 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 39.02 1lca h TYR 146 CO 1.52 0.00 -0.03 0.78 -1.05 0.00 0.00 178.16 179.39 1lca h GLY 147 N 0.00 0.73 1.20 3.88 0.00 -1.79 0.09 103.07 107.17 1lca h GLY 147 Ca 0.01 -0.56 -0.19 0.00 0.00 0.00 0.00 47.33 46.60 1lca h GLY 147 CO -0.00 0.51 -0.56 1.48 0.00 0.00 0.00 176.54 177.97 1lca h SER 148 N 0.49 0.93 0.19 0.19 4.64 -1.70 -1.94 113.55 116.36 1lca h SER 148 Ca 0.10 -0.51 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 1lca h SER 148 Cb 0.50 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 62.31 1lca h SER 148 CO 0.02 1.30 -0.17 1.56 -0.87 0.00 0.00 176.83 178.67 1lca h GLN 149 N 0.64 -0.37 -0.02 4.77 4.20 -0.67 -1.54 115.11 122.12 1lca h GLN 149 Ca 0.01 0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.74 1lca h GLN 149 Cb 1.16 0.08 -0.00 0.00 0.30 0.00 0.00 27.48 29.03 1lca h GLN 149 CO 0.12 -0.25 -0.02 -1.49 -0.67 0.00 0.00 178.83 176.52 1lca h TRP 150 N -0.38 0.05 -0.19 2.96 6.55 -1.06 -3.32 115.95 120.55 1lca h TRP 150 Ca -0.00 -0.02 0.00 0.00 0.95 0.00 0.00 58.89 59.82 1lca h TRP 150 Cb 0.35 -0.01 0.00 0.00 -0.86 0.00 0.00 29.16 28.64 1lca h TRP 150 CO -0.13 0.55 0.00 0.54 -1.05 0.00 0.00 178.44 178.36 1lca n ARG 151 N -4.80 2.19 -2.69 0.49 5.12 -0.73 -1.33 116.66 114.91 1lca n ARG 151 Ca -0.08 -1.77 -0.06 0.00 -1.93 0.00 0.00 57.85 54.01 1lca n ARG 151 Cb 0.28 -1.47 0.07 0.00 -1.16 0.00 0.00 32.46 30.18 1lca n ARG 151 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1lca n ALA 152 N 1.04 -0.76 -1.61 7.54 0.00 -0.58 -4.06 120.51 122.08 1lca n ALA 152 Ca 0.17 -0.95 -0.49 0.00 0.00 0.00 0.00 53.44 52.18 1lca n ALA 152 Cb 0.52 -1.31 -0.04 0.00 0.00 0.00 0.00 19.45 18.61 1lca n ALA 152 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.50 179.37 1lca n TRP 153 N -0.26 1.60 -2.39 0.00 -0.00 0.10 -4.44 117.44 112.04 1lca n TRP 153 Ca -0.09 0.59 -0.43 0.00 -0.00 0.00 0.00 57.50 57.57 1lca n TRP 153 Cb 0.75 -2.35 -0.02 0.00 -0.00 0.00 0.00 31.31 29.69 1lca n TRP 153 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 177.69 176.68 1lca s HIS 154 N 0.09 2.66 0.17 5.87 3.76 -1.26 -0.87 115.29 125.71 1lca s HIS 154 Ca 0.75 0.86 -0.15 0.00 -0.15 0.00 0.00 55.06 56.38 1lca s HIS 154 Cb -0.82 -3.84 -0.07 0.00 1.11 0.00 0.00 32.58 28.96 1lca s HIS 154 CO 0.49 -1.82 0.58 0.95 -0.85 0.00 0.00 174.74 174.09 1lca s THR 155 N 4.28 4.82 -1.08 1.30 -4.23 -1.25 -4.99 115.64 114.48 1lca s THR 155 Ca 0.57 0.86 0.00 0.00 -1.18 0.00 0.00 61.69 61.95 1lca s THR 155 Cb -0.18 -3.74 0.00 0.00 1.34 0.00 0.00 72.50 69.92 1lca s THR 155 CO 0.22 0.19 0.43 -1.20 -0.54 0.00 0.00 174.62 173.72 1lca n SER 156 N 0.66 0.00 -2.79 3.99 7.64 -1.26 -0.30 113.62 121.55 1lca n SER 156 Ca -0.04 0.07 -0.11 0.00 1.01 0.00 0.00 58.87 59.80 1lca n SER 156 Cb 0.52 -0.07 0.02 0.00 -1.01 0.00 0.00 64.21 63.66 1lca n SER 156 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1lca n LYS 157 N -0.93 1.10 -1.17 1.43 3.00 -1.26 -5.02 118.16 115.31 1lca n LYS 157 Ca 0.00 -3.25 -0.08 0.00 -0.00 0.00 0.00 58.31 54.98 1lca n LYS 157 Cb 0.05 -1.33 -0.03 0.00 0.00 0.00 0.00 35.03 33.71 1lca n LYS 157 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1lca n GLY 158 N 0.02 0.77 0.00 3.14 0.00 0.58 -4.93 105.19 104.77 1lca n GLY 158 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1lca n GLY 158 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1lca n ASP 159 N -0.79 0.00 -3.22 1.61 -0.08 -1.20 -4.90 116.55 107.97 1lca n ASP 159 Ca -0.08 0.00 0.04 0.00 -1.51 0.00 0.00 54.79 53.24 1lca n ASP 159 Cb 0.52 0.00 -0.03 0.00 2.34 0.00 0.00 41.12 43.95 1lca n ASP 159 CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 1lca s THR 160 N 4.13 -0.35 -0.35 5.18 2.01 -1.25 -3.83 115.64 121.18 1lca s THR 160 Ca 0.00 0.00 -0.13 0.00 0.31 0.00 0.00 61.69 61.87 1lca s THR 160 Cb 0.00 -1.00 -0.01 0.00 0.01 0.00 0.00 72.50 71.50 1lca s THR 160 CO 0.00 0.00 0.24 -0.63 -0.69 0.00 0.00 174.62 173.54 1lca s ILE 161 N 2.71 5.12 -1.32 1.82 1.01 -0.04 -4.81 121.20 125.69 1lca s ILE 161 Ca -0.01 -0.38 -0.11 0.00 0.00 0.00 0.00 60.65 60.15 1lca s ILE 161 Cb -0.08 -3.69 0.14 0.00 0.01 0.00 0.00 42.46 38.84 1lca s ILE 161 CO -0.13 -0.07 1.91 -0.67 0.00 0.00 0.00 174.94 175.98 1lca n ASP 162 N 5.09 4.82 -0.25 3.58 2.03 -1.26 0.02 116.55 130.58 1lca n ASP 162 Ca -0.12 -3.03 0.05 0.00 0.52 0.00 0.00 54.79 52.20 1lca n ASP 162 Cb 0.49 -1.54 0.16 0.00 -0.72 0.00 0.00 41.12 39.52 1lca n ASP 162 CO 0.00 0.00 0.00 -0.61 -1.92 0.00 0.00 177.20 174.67 1lca h GLN 163 N 5.98 0.15 0.55 -0.67 4.15 -1.77 -1.46 115.11 122.04 1lca h GLN 163 Ca 0.43 -0.01 -0.03 0.00 0.77 0.00 0.00 58.65 59.81 1lca h GLN 163 Cb 0.66 -0.03 0.01 0.00 0.21 0.00 0.00 27.48 28.32 1lca h GLN 163 CO 1.65 0.10 -0.26 1.25 -1.93 0.00 0.00 178.83 179.63 1lca h LEU 164 N 0.16 -0.62 -0.70 -2.39 5.85 -1.52 -1.44 115.31 114.64 1lca h LEU 164 Ca 0.41 -0.00 0.10 0.00 0.84 0.00 0.00 57.88 59.23 1lca h LEU 164 Cb 0.72 0.16 -0.12 0.00 0.37 0.00 0.00 40.66 41.79 1lca h LEU 164 CO -0.60 -0.41 -0.43 1.23 -0.34 0.00 0.00 178.44 177.90 1lca h GLY 165 N -0.79 -0.34 1.03 3.75 0.00 -1.54 1.12 103.07 106.31 1lca h GLY 165 Ca -0.08 0.56 0.04 0.00 0.00 0.00 0.00 47.33 47.86 1lca h GLY 165 CO 0.12 -0.16 0.54 -0.55 0.00 0.00 0.00 176.54 176.50 1lca h ASP 166 N -0.15 0.85 0.27 0.19 3.32 -1.35 -2.21 116.42 117.33 1lca h ASP 166 Ca 0.22 -0.01 -0.13 0.00 0.02 0.00 0.00 57.03 57.13 1lca h ASP 166 Cb 0.55 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.90 1lca h ASP 166 CO -0.77 0.57 -0.52 0.58 -1.72 0.00 0.00 179.24 177.38 1lca h VAL 167 N 0.98 1.35 -0.28 -1.35 2.07 0.24 -1.22 116.25 118.03 1lca h VAL 167 Ca 0.33 -1.77 -0.09 0.00 0.82 0.00 0.00 66.70 65.99 1lca h VAL 167 Cb 0.10 1.84 -0.01 0.00 -1.52 0.00 0.00 31.29 31.69 1lca h VAL 167 CO -0.11 0.53 -0.22 0.40 0.02 0.00 0.00 177.57 178.19 1lca h ILE 168 N 0.22 1.26 0.00 4.57 2.04 -0.76 -2.34 117.51 122.50 1lca h ILE 168 Ca 0.01 -1.23 -0.10 0.00 1.00 0.00 0.00 64.86 64.54 1lca h ILE 168 Cb 0.99 1.29 -0.01 0.00 -0.74 0.00 0.00 36.82 38.34 1lca h ILE 168 CO 0.08 0.40 -0.45 -0.08 0.00 0.00 0.00 178.15 178.09 1lca h GLU 169 N 0.47 0.00 -0.30 2.37 4.57 -1.24 -2.98 114.58 117.48 1lca h GLU 169 Ca 0.07 0.00 -0.13 0.00 -1.18 0.00 0.00 59.36 58.12 1lca h GLU 169 Cb 0.64 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.22 1lca h GLU 169 CO 0.05 0.45 -0.36 0.37 -1.18 0.00 0.00 179.01 178.34 1lca h GLN 170 N 0.00 0.68 0.07 1.92 5.75 -0.71 -2.74 115.11 120.08 1lca h GLN 170 Ca -0.00 -0.33 0.01 0.00 -0.15 0.00 0.00 58.65 58.17 1lca h GLN 170 Cb 0.85 -0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.39 1lca h GLN 170 CO 0.06 0.94 -0.09 0.82 -2.65 0.00 0.00 178.83 177.91 1lca h ILE 171 N 0.57 0.80 -0.12 2.39 2.04 -1.30 -0.97 117.51 120.91 1lca h ILE 171 Ca 0.06 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.95 1lca h ILE 171 Cb 0.88 0.80 -0.03 0.00 -0.74 0.00 0.00 36.82 37.73 1lca h ILE 171 CO 0.08 0.00 -0.07 0.11 0.00 0.00 0.00 178.15 178.26 1lca h LYS 172 N -0.19 -0.07 -0.96 2.37 1.57 -1.50 -2.48 116.57 115.32 1lca h LYS 172 Ca 0.01 0.00 0.12 0.00 -1.87 0.00 0.00 60.65 58.91 1lca h LYS 172 Cb 0.19 0.02 -0.08 0.00 0.08 0.00 0.00 32.23 32.44 1lca h LYS 172 CO -0.04 -0.05 0.61 1.15 -0.57 0.00 0.00 179.45 180.56 1lca h THR 173 N -0.07 0.92 -0.38 -0.16 2.02 -1.44 -3.39 112.91 110.40 1lca h THR 173 Ca 0.07 -0.32 0.16 0.00 0.77 0.00 0.00 66.41 67.10 1lca h THR 173 Cb 0.18 -0.09 -0.19 0.00 -1.74 0.00 0.00 68.15 66.32 1lca h THR 173 CO -0.17 0.17 -0.10 -1.38 0.37 0.00 0.00 175.52 174.41 1lca s HIS 174 N -5.88 -0.70 0.00 3.16 -3.43 -0.37 -5.03 115.29 103.04 1lca s HIS 174 Ca -0.11 0.34 0.00 0.00 -0.80 0.00 0.00 55.06 54.49 1lca s HIS 174 Cb 0.22 0.12 0.00 0.00 -1.43 0.00 0.00 32.58 31.49 1lca s HIS 174 CO 0.80 -0.42 0.00 -2.30 -2.00 0.00 0.00 174.74 170.82 1lca n PRO 175 N 4.85 0.00 0.00 -0.38 -0.02 -0.95 -4.06 135.00 134.44 1lca n PRO 175 Ca 0.08 0.00 0.11 0.00 -2.02 0.00 0.00 63.50 61.67 1lca n PRO 175 Cb 0.58 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.06 1lca n PRO 175 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1lca n TYR 176 N -0.75 0.01 -1.72 6.00 4.01 -1.26 -3.85 117.16 119.60 1lca n TYR 176 Ca 0.00 0.00 -0.37 0.00 -0.16 0.00 0.00 57.90 57.37 1lca n TYR 176 Cb 0.00 -0.10 0.07 0.00 -0.31 0.00 0.00 39.34 38.99 1lca n TYR 176 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 1lca n SER 177 N -1.53 1.95 -3.39 7.72 3.41 -1.26 -4.90 113.62 115.63 1lca n SER 177 Ca 0.04 0.83 -0.39 0.00 -0.26 0.00 0.00 58.87 59.10 1lca n SER 177 Cb 0.34 -1.54 0.01 0.00 -0.26 0.00 0.00 64.21 62.76 1lca n SER 177 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1lca n ARG 178 N -1.75 4.54 -0.13 4.33 1.74 -1.26 -4.01 116.66 120.12 1lca n ARG 178 Ca 0.15 -3.88 0.00 0.00 -0.77 0.00 0.00 57.85 53.36 1lca n ARG 178 Cb 0.48 -2.47 0.00 0.00 -1.02 0.00 0.00 32.46 29.45 1lca n ARG 178 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1lca n ARG 179 N 0.62 0.00 -1.96 5.56 1.74 -1.26 -4.98 116.66 116.37 1lca n ARG 179 Ca 0.54 0.00 -0.40 0.00 -0.77 0.00 0.00 57.85 57.21 1lca n ARG 179 Cb 0.28 0.00 -0.01 0.00 -1.02 0.00 0.00 32.46 31.71 1lca n ARG 179 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1lca n LEU 180 N 0.00 7.84 -4.38 0.55 4.77 -1.26 -4.94 117.00 119.59 1lca n LEU 180 Ca 0.00 -4.75 -0.32 0.00 -0.03 0.00 0.00 56.01 50.91 1lca n LEU 180 Cb 0.48 -1.42 -0.15 0.00 -2.33 0.00 0.00 43.42 40.00 1lca n LEU 180 CO 0.00 1.90 -0.49 -0.63 -1.33 0.00 0.00 177.39 176.84 1lca s ILE 181 N -0.26 2.74 -0.21 -0.08 1.01 -1.26 -0.60 121.20 122.54 1lca s ILE 181 Ca 0.53 -0.81 -0.02 0.00 0.00 0.00 0.00 60.65 60.35 1lca s ILE 181 Cb 0.16 -2.08 0.06 0.00 0.01 0.00 0.00 42.46 40.62 1lca s ILE 181 CO -0.07 0.56 0.02 -0.69 0.00 0.00 0.00 174.94 174.76 1lca s VAL 182 N -0.22 0.76 0.38 2.92 1.01 -1.19 -4.92 120.40 119.15 1lca s VAL 182 Ca -0.00 -0.76 0.01 0.00 0.00 0.00 0.00 61.98 61.22 1lca s VAL 182 Cb -0.13 -1.24 -0.02 0.00 0.00 0.00 0.00 36.38 34.99 1lca s VAL 182 CO 0.03 -0.22 0.59 -0.55 0.00 0.00 0.00 175.10 174.95 1lca s SER 183 N 1.74 6.11 0.00 3.32 0.15 -1.26 -1.71 113.70 122.06 1lca s SER 183 Ca -0.01 0.36 0.00 0.00 0.70 0.00 0.00 55.95 57.00 1lca s SER 183 Cb -0.17 -1.81 0.00 0.00 -1.71 0.00 0.00 66.02 62.32 1lca s SER 183 CO -0.09 -0.45 0.00 0.00 1.20 0.00 0.00 173.24 173.90 1lca n ALA 184 N -1.89 0.00 -2.52 5.45 0.00 -1.17 -4.68 120.51 115.70 1lca n ALA 184 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.00 1lca n ALA 184 Cb 0.57 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.93 1lca n ALA 184 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.50 177.04 1lca s TRP 185 N 0.00 3.19 -0.42 0.00 -0.11 -1.24 -4.69 118.94 115.67 1lca s TRP 185 Ca 0.00 -0.13 -0.06 0.00 1.22 0.00 0.00 56.10 57.13 1lca s TRP 185 Cb 0.00 -2.79 0.10 0.00 -1.50 0.00 0.00 33.47 29.28 1lca s TRP 185 CO 0.00 -0.55 0.23 1.21 -4.62 0.00 0.00 176.95 173.22 1lca s ASN 186 N 1.77 5.42 0.57 5.86 3.84 -1.26 -5.01 114.94 126.13 1lca s ASN 186 Ca 0.13 -1.82 0.31 0.00 0.21 0.00 0.00 52.86 51.68 1lca s ASN 186 Cb -0.17 -1.90 1.43 0.00 -0.55 0.00 0.00 41.25 40.06 1lca s ASN 186 CO 0.13 -0.56 1.80 -0.65 -2.79 0.00 0.00 177.10 175.03 1lca h PRO 187 N 8.22 0.00 -0.92 0.43 0.11 -2.03 -2.82 132.00 134.99 1lca h PRO 187 Ca -0.18 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.93 1lca h PRO 187 Cb 1.06 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.13 1lca h PRO 187 CO 0.74 0.00 0.56 1.49 -0.21 0.00 0.00 178.00 180.58 1lca h GLU 188 N 0.00 1.25 0.08 1.05 4.81 -2.03 -3.34 114.58 116.40 1lca h GLU 188 Ca 0.35 -0.11 -0.22 0.00 -0.13 0.00 0.00 59.36 59.25 1lca h GLU 188 Cb 1.70 -0.26 0.02 0.00 0.63 0.00 0.00 28.75 30.84 1lca h GLU 188 CO -0.00 0.87 -0.92 -0.44 -0.73 0.00 0.00 179.01 177.79 1lca h ASP 189 N 1.27 0.66 0.05 1.04 3.32 -1.92 -3.41 116.42 117.43 1lca h ASP 189 Ca 0.33 -0.83 0.00 0.00 0.02 0.00 0.00 57.03 56.55 1lca h ASP 189 Cb -0.06 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.28 1lca h ASP 189 CO -0.06 1.43 0.00 1.33 -1.72 0.00 0.00 179.24 180.21 1lca n VAL 190 N -4.02 0.76 0.00 -1.35 0.24 -1.25 0.18 118.33 112.89 1lca n VAL 190 Ca -0.13 0.19 0.00 0.00 -2.04 0.00 0.00 64.34 62.36 1lca n VAL 190 Cb 0.84 -1.13 0.00 0.00 -1.47 0.00 0.00 33.84 32.07 1lca n VAL 190 CO 0.00 0.00 0.00 -0.81 -2.14 0.00 0.00 176.83 173.88 1lca n PRO 191 N -1.21 0.00 -0.81 7.34 -0.04 -1.26 -4.15 135.00 134.87 1lca n PRO 191 Ca 0.02 0.63 -0.10 0.00 -0.04 0.00 0.00 63.50 64.01 1lca n PRO 191 Cb 0.02 -1.27 -0.03 0.00 -0.04 0.00 0.00 33.50 32.18 1lca n PRO 191 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1lca n THR 192 N -1.88 2.55 -4.46 0.52 -2.24 0.13 -4.91 114.28 103.99 1lca n THR 192 Ca 0.00 -1.28 -0.34 0.00 -2.27 0.00 0.00 64.05 60.16 1lca n THR 192 Cb 0.00 -1.56 -0.10 0.00 -2.10 0.00 0.00 70.33 66.57 1lca n THR 192 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 1lca s MET 193 N -0.52 2.94 0.00 -0.78 -1.94 -1.16 -5.01 119.30 112.83 1lca s MET 193 Ca 0.27 -0.46 0.00 0.00 -1.71 0.00 0.00 55.69 53.80 1lca s MET 193 Cb 0.17 -2.73 0.00 0.00 2.01 0.00 0.00 34.83 34.28 1lca s MET 193 CO -0.02 0.66 0.33 0.00 -0.01 0.00 0.00 175.02 175.98 1lca n ALA 194 N 2.25 -0.02 -4.03 3.03 0.00 -1.26 -4.70 120.51 115.78 1lca n ALA 194 Ca -0.18 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 52.94 1lca n ALA 194 Cb 0.53 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.83 1lca n ALA 194 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1lca s LEU 195 N -1.20 3.01 0.66 0.00 2.96 -1.26 -5.13 118.68 117.72 1lca s LEU 195 Ca 0.00 -1.24 -0.17 0.00 -0.22 0.00 0.00 54.13 52.50 1lca s LEU 195 Cb 0.00 -1.41 -0.06 0.00 0.50 0.00 0.00 46.19 45.21 1lca s LEU 195 CO 0.00 -0.19 0.48 -2.65 -1.32 0.00 0.00 176.35 172.67 1lca n PRO 196 N 4.53 0.37 -1.79 0.98 -0.02 -1.26 -4.87 135.00 132.94 1lca n PRO 196 Ca -0.14 0.16 -0.42 0.00 -2.02 0.00 0.00 63.50 61.08 1lca n PRO 196 Cb 0.43 -1.73 -0.03 0.00 -0.02 0.00 0.00 33.50 32.15 1lca n PRO 196 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1lca s PRO 197 N -2.41 4.16 0.04 0.52 0.02 -1.26 -4.84 135.00 131.23 1lca s PRO 197 Ca 0.66 2.52 -0.14 0.00 0.02 0.00 0.00 61.00 64.06 1lca s PRO 197 Cb -0.39 -3.31 -0.33 0.00 0.02 0.00 0.00 34.50 30.49 1lca s PRO 197 CO 0.57 -0.75 1.04 0.00 -0.33 0.00 0.00 177.00 177.54 1lca s HIS 199 N -2.68 4.08 0.43 0.00 3.76 -1.26 -1.55 115.29 118.08 1lca s HIS 199 Ca -0.08 -2.51 0.12 0.00 -0.15 0.00 0.00 55.06 52.43 1lca s HIS 199 Cb 0.05 -3.78 0.99 0.00 1.11 0.00 0.00 32.58 30.95 1lca s HIS 199 CO 0.94 -0.95 2.03 1.15 -0.85 0.00 0.00 174.74 177.05 1lca h THR 200 N 4.05 0.98 -1.95 1.30 2.02 -1.39 -3.46 112.91 114.46 1lca h THR 200 Ca 0.15 -0.15 -0.04 0.00 0.77 0.00 0.00 66.41 67.15 1lca h THR 200 Cb 0.92 0.52 -0.20 0.00 -1.74 0.00 0.00 68.15 67.66 1lca h THR 200 CO 0.92 0.08 0.23 -0.22 0.37 0.00 0.00 175.52 176.89 1lca s LEU 201 N -9.36 -0.64 0.34 2.58 0.20 -0.76 -3.07 118.68 107.97 1lca s LEU 201 Ca -0.08 0.77 0.06 0.00 0.69 0.00 0.00 54.13 55.58 1lca s LEU 201 Cb 0.19 2.45 -0.03 0.00 -0.43 0.00 0.00 46.19 48.37 1lca s LEU 201 CO 0.73 -0.53 0.31 -0.72 -0.29 0.00 0.00 176.35 175.85 1lca s TYR 202 N -0.98 1.70 -0.22 5.38 -0.85 -0.69 -0.67 117.35 121.01 1lca s TYR 202 Ca -0.09 -1.63 -0.17 0.00 -0.52 0.00 0.00 57.07 54.66 1lca s TYR 202 Cb -0.01 -0.64 0.06 0.00 0.38 0.00 0.00 41.96 41.76 1lca s TYR 202 CO 0.08 -0.92 0.56 -1.14 -1.52 0.00 0.00 175.55 172.61 1lca s GLN 203 N -3.34 0.62 0.28 -3.49 0.74 0.57 -3.19 119.66 111.86 1lca s GLN 203 Ca 0.40 0.87 0.07 0.00 0.05 0.00 0.00 55.36 56.74 1lca s GLN 203 Cb 0.02 0.23 -0.03 0.00 1.10 0.00 0.00 33.01 34.32 1lca s GLN 203 CO 0.28 -0.11 0.23 -0.06 -0.55 0.00 0.00 175.29 175.08 1lca s PHE 204 N 0.74 3.03 -0.14 1.67 0.08 0.23 -0.35 117.98 123.24 1lca s PHE 204 Ca -0.03 -0.18 -0.06 0.00 0.12 0.00 0.00 56.93 56.77 1lca s PHE 204 Cb -0.05 -1.55 0.06 0.00 -0.57 0.00 0.00 43.02 40.91 1lca s PHE 204 CO -0.05 0.39 0.30 -0.47 -0.10 0.00 0.00 175.22 175.29 1lca s TYR 205 N -2.20 -0.48 -0.01 0.36 6.14 -1.22 -4.51 117.35 115.43 1lca s TYR 205 Ca 0.36 1.05 -0.11 0.00 0.64 0.00 0.00 57.07 59.01 1lca s TYR 205 Cb -0.07 0.07 -0.05 0.00 0.42 0.00 0.00 41.96 42.33 1lca s TYR 205 CO 0.26 -0.34 0.33 0.08 0.64 0.00 0.00 175.55 176.51 1lca s VAL 206 N 2.04 5.18 -0.29 3.14 1.01 -1.25 -2.77 120.40 127.47 1lca s VAL 206 Ca -0.03 0.52 0.02 0.00 0.00 0.00 0.00 61.98 62.50 1lca s VAL 206 Cb -0.11 -3.61 0.17 0.00 0.00 0.00 0.00 36.38 32.82 1lca s VAL 206 CO -0.10 0.49 0.44 0.21 0.00 0.00 0.00 175.10 176.14 1lca s ASN 207 N -1.31 0.09 -1.28 3.32 3.04 0.02 -4.84 114.94 113.99 1lca s ASN 207 Ca 0.24 -0.29 -0.04 0.00 0.04 0.00 0.00 52.86 52.82 1lca s ASN 207 Cb -0.15 1.24 -0.01 0.00 -1.54 0.00 0.00 41.25 40.80 1lca s ASN 207 CO 0.13 -0.35 0.68 -0.90 -3.04 0.00 0.00 177.10 173.62 1lca n ASP 208 N 5.36 -2.10 0.00 -4.21 5.68 -1.26 -3.25 116.55 116.78 1lca n ASP 208 Ca 0.01 -0.88 0.00 0.00 -0.50 0.00 0.00 54.79 53.42 1lca n ASP 208 Cb 0.50 -3.82 0.00 0.00 -1.14 0.00 0.00 41.12 36.66 1lca n ASP 208 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1lca n GLY 209 N -1.65 3.18 3.65 6.12 0.00 -1.26 -4.98 105.19 110.25 1lca n GLY 209 Ca -0.25 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.38 1lca n GLY 209 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1lca s LYS 210 N -0.46 4.14 0.50 1.61 3.01 -1.20 -0.65 119.74 126.69 1lca s LYS 210 Ca 0.00 0.30 -0.09 0.00 -1.01 0.00 0.00 55.97 55.17 1lca s LYS 210 Cb 0.00 -3.59 -0.05 0.00 -1.01 0.00 0.00 37.83 33.18 1lca s LYS 210 CO 0.00 -0.19 0.86 -1.17 0.51 0.00 0.00 175.35 175.37 1lca s LEU 211 N 1.77 3.59 0.23 3.17 2.96 0.10 -0.80 118.68 129.69 1lca s LEU 211 Ca 0.21 1.17 -0.06 0.00 -0.22 0.00 0.00 54.13 55.22 1lca s LEU 211 Cb -0.15 -4.12 -0.02 0.00 0.50 0.00 0.00 46.19 42.39 1lca s LEU 211 CO 0.09 -0.60 0.29 -0.44 -1.32 0.00 0.00 176.35 174.37 1lca s SER 212 N -3.76 0.07 -0.16 3.68 0.01 -1.11 -1.10 113.70 111.32 1lca s SER 212 Ca 0.51 -1.19 -0.14 0.00 1.31 0.00 0.00 55.95 56.45 1lca s SER 212 Cb -0.10 0.48 0.04 0.00 0.21 0.00 0.00 66.02 66.65 1lca s SER 212 CO 0.42 -0.99 0.42 -0.22 0.41 0.00 0.00 173.24 173.28 1lca s LEU 213 N -3.10 0.30 -0.13 2.44 0.20 -1.20 -3.42 118.68 113.76 1lca s LEU 213 Ca 0.31 0.86 0.03 0.00 0.69 0.00 0.00 54.13 56.02 1lca s LEU 213 Cb 0.03 1.43 0.00 0.00 -0.43 0.00 0.00 46.19 47.23 1lca s LEU 213 CO 0.11 -0.16 -0.22 -1.58 -0.29 0.00 0.00 176.35 174.22 1lca s GLN 214 N 0.45 3.07 -0.18 1.98 0.74 0.52 -1.18 119.66 125.06 1lca s GLN 214 Ca -0.02 -0.84 -0.03 0.00 0.05 0.00 0.00 55.36 54.52 1lca s GLN 214 Cb -0.04 -2.42 -0.02 0.00 1.10 0.00 0.00 33.01 31.64 1lca s GLN 214 CO -0.02 0.07 -0.06 -1.17 -0.55 0.00 0.00 175.29 173.56 1lca s LEU 215 N 0.63 2.98 -0.23 3.68 0.20 -1.07 -0.31 118.68 124.56 1lca s LEU 215 Ca -0.11 -0.28 -0.08 0.00 0.69 0.00 0.00 54.13 54.34 1lca s LEU 215 Cb -0.16 -1.73 -0.04 0.00 -0.43 0.00 0.00 46.19 43.83 1lca s LEU 215 CO 0.02 0.09 0.09 -0.47 -0.29 0.00 0.00 176.35 175.79 1lca s TYR 216 N 0.85 3.17 -0.30 5.38 6.14 0.15 -0.20 117.35 132.53 1lca s TYR 216 Ca -0.02 -0.14 0.03 0.00 0.64 0.00 0.00 57.07 57.59 1lca s TYR 216 Cb -0.15 -2.20 0.08 0.00 0.42 0.00 0.00 41.96 40.11 1lca s TYR 216 CO 0.01 -0.13 -0.03 -1.14 0.64 0.00 0.00 175.55 174.91 1lca s GLN 217 N 1.16 1.87 0.37 4.97 0.74 0.17 -1.42 119.66 127.52 1lca s GLN 217 Ca 0.05 -1.61 0.19 0.00 0.05 0.00 0.00 55.36 54.04 1lca s GLN 217 Cb -0.14 -3.06 1.21 0.00 1.10 0.00 0.00 33.01 32.12 1lca s GLN 217 CO 0.04 -0.76 1.65 0.07 -0.55 0.00 0.00 175.29 175.74 1lca h ARG 218 N 7.70 0.21 -3.69 1.67 0.11 -1.58 -0.40 114.38 118.39 1lca h ARG 218 Ca -0.12 -0.01 -0.09 0.00 0.10 0.00 0.00 59.98 59.86 1lca h ARG 218 Cb 1.03 -0.05 -0.15 0.00 1.11 0.00 0.00 29.97 31.91 1lca h ARG 218 CO 0.49 0.14 -0.35 -1.54 0.10 0.00 0.00 179.97 178.81 1lca s SER 219 N -4.76 0.06 0.01 0.08 1.04 -1.26 -0.77 113.70 108.11 1lca s SER 219 Ca -0.09 -0.53 0.03 0.00 0.48 0.00 0.00 55.95 55.84 1lca s SER 219 Cb 0.31 0.34 -0.01 0.00 0.10 0.00 0.00 66.02 66.75 1lca s SER 219 CO 0.80 -0.69 -0.11 0.00 0.98 0.00 0.00 173.24 174.22 1lca s ALA 220 N -3.45 0.88 -0.43 5.32 0.00 -0.23 -4.90 121.76 118.95 1lca s ALA 220 Ca 0.02 -0.58 -0.14 0.00 0.00 0.00 0.00 51.96 51.26 1lca s ALA 220 Cb 0.03 -0.16 0.05 0.00 0.00 0.00 0.00 23.12 23.04 1lca s ALA 220 CO -0.09 0.17 0.31 0.34 0.00 0.00 0.00 175.76 176.50 1lca s ASP 221 N -0.68 5.98 0.00 0.00 -1.08 -1.26 -3.30 116.67 116.33 1lca s ASP 221 Ca 0.01 -1.16 0.00 0.00 -0.52 0.00 0.00 52.55 50.88 1lca s ASP 221 Cb -0.06 -2.12 0.01 0.00 -1.46 0.00 0.00 42.92 39.29 1lca s ASP 221 CO 0.00 -0.52 0.68 -0.38 0.52 0.00 0.00 175.17 175.47 1lca n ILE 222 N 5.11 0.00 -0.06 4.11 5.41 0.04 -1.97 119.36 131.99 1lca n ILE 222 Ca -0.12 0.00 -0.07 0.00 1.00 0.00 0.00 62.75 63.56 1lca n ILE 222 Cb 0.45 -0.17 -0.02 0.00 -0.71 0.00 0.00 39.64 39.19 1lca n ILE 222 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 176.55 176.88 1lca n PHE 223 N -0.50 0.00 -0.08 1.39 7.35 -1.26 -4.76 117.46 119.60 1lca n PHE 223 Ca 0.00 0.00 -0.09 0.00 -0.76 0.00 0.00 57.45 56.60 1lca n PHE 223 Cb 0.00 -0.39 -0.15 0.00 0.35 0.00 0.00 39.48 39.29 1lca n PHE 223 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 1lca n LEU 224 N -4.13 0.24 0.00 -2.13 4.32 -1.18 -4.36 117.00 109.76 1lca n LEU 224 Ca -0.11 0.11 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 1lca n LEU 224 Cb 0.40 0.40 0.00 0.00 -1.62 0.00 0.00 43.42 42.61 1lca n LEU 224 CO 0.16 0.46 0.12 0.61 -1.22 0.00 0.00 177.39 177.52 1lca n GLY 225 N 1.69 -0.70 0.30 -0.72 0.00 -0.83 -3.98 105.19 100.95 1lca n GLY 225 Ca -0.28 0.00 0.12 0.00 0.00 0.00 0.00 46.02 45.86 1lca n GLY 225 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1lca h VAL 226 N 0.00 0.40 -0.85 1.61 2.07 -1.70 -0.46 116.25 117.32 1lca h VAL 226 Ca 0.00 -0.09 0.14 0.00 0.82 0.00 0.00 66.70 67.56 1lca h VAL 226 Cb 0.00 0.10 -0.09 0.00 -1.52 0.00 0.00 31.29 29.78 1lca h VAL 226 CO 0.00 0.05 0.45 -0.65 0.02 0.00 0.00 177.57 177.45 1lca h PRO 227 N 0.28 0.65 0.00 1.57 0.11 -1.76 -1.83 132.00 131.02 1lca h PRO 227 Ca 0.53 -0.04 -0.17 0.00 0.11 0.00 0.00 66.00 66.43 1lca h PRO 227 Cb 1.03 -0.15 -0.03 0.00 0.11 0.00 0.00 31.00 31.96 1lca h PRO 227 CO -0.59 0.43 -0.95 0.74 -0.21 0.00 0.00 178.00 177.42 1lca h PHE 228 N 0.67 0.00 0.07 0.65 -1.00 -1.23 -3.30 116.94 112.81 1lca h PHE 228 Ca 0.45 0.00 -0.27 0.00 2.81 0.00 0.00 57.97 60.96 1lca h PHE 228 Cb 0.59 0.00 0.02 0.00 3.61 0.00 0.00 35.95 40.17 1lca h PHE 228 CO -0.08 0.76 -1.13 -0.91 -1.61 0.00 0.00 178.31 175.34 1lca h ASN 229 N 0.00 0.69 -0.57 2.17 -0.26 -0.92 -2.53 115.58 114.18 1lca h ASN 229 Ca -0.06 -0.62 0.06 0.00 -0.56 0.00 0.00 56.30 55.12 1lca h ASN 229 Cb 1.63 -0.22 -0.03 0.00 -1.06 0.00 0.00 38.32 38.64 1lca h ASN 229 CO 0.09 1.44 0.38 0.40 -1.06 0.00 0.00 177.43 178.67 1lca h ILE 230 N 0.24 0.99 0.22 2.81 2.04 -1.47 -1.97 117.51 120.37 1lca h ILE 230 Ca -0.14 -0.18 -0.33 0.00 1.00 0.00 0.00 64.86 65.21 1lca h ILE 230 Cb 1.80 0.41 0.04 0.00 -0.74 0.00 0.00 36.82 38.33 1lca h ILE 230 CO 0.21 0.10 -1.42 0.00 0.00 0.00 0.00 178.15 177.03 1lca h ALA 231 N 1.69 -0.12 -0.19 1.87 0.00 -1.62 -2.93 119.26 117.97 1lca h ALA 231 Ca 0.25 -0.84 0.02 0.00 0.00 0.00 0.00 54.91 54.34 1lca h ALA 231 Cb 0.29 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1lca h ALA 231 CO -0.07 0.70 0.03 0.66 0.00 0.00 0.00 179.25 180.58 1lca h SER 232 N 0.18 0.01 1.09 0.00 4.64 -0.91 0.74 113.55 119.29 1lca h SER 232 Ca -0.24 0.03 -0.00 0.00 -0.47 0.00 0.00 61.79 61.11 1lca h SER 232 Cb 2.11 0.04 -0.00 0.00 -0.31 0.00 0.00 62.40 64.23 1lca h SER 232 CO 0.27 0.03 -0.00 1.88 -0.87 0.00 0.00 176.83 178.13 1lca h TYR 233 N 0.11 0.00 0.07 4.77 0.05 -1.60 -0.62 116.97 119.76 1lca h TYR 233 Ca 0.08 0.00 -0.25 0.00 0.05 0.00 0.00 58.73 58.62 1lca h TYR 233 Cb 0.08 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.82 1lca h TYR 233 CO -0.14 0.00 -1.11 0.00 -1.05 0.00 0.00 178.16 175.86 1lca h ALA 234 N 2.00 0.23 -0.37 3.88 0.00 -1.01 -2.65 119.26 121.33 1lca h ALA 234 Ca -0.00 -0.83 -0.14 0.00 0.00 0.00 0.00 54.91 53.94 1lca h ALA 234 Cb 0.55 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1lca h ALA 234 CO 0.00 0.96 -0.31 1.25 0.00 0.00 0.00 179.25 181.15 1lca h LEU 235 N 0.10 0.92 -0.17 0.00 5.85 0.52 -1.22 115.31 121.31 1lca h LEU 235 Ca -0.10 -0.45 0.05 0.00 0.84 0.00 0.00 57.88 58.22 1lca h LEU 235 Cb 1.81 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 42.53 1lca h LEU 235 CO 0.18 1.18 -0.15 0.25 -0.34 0.00 0.00 178.44 179.55 1lca h LEU 236 N 0.68 -0.49 -0.99 2.25 5.85 -1.26 0.51 115.31 121.86 1lca h LEU 236 Ca 0.07 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.89 1lca h LEU 236 Cb 0.89 0.24 -0.05 0.00 0.37 0.00 0.00 40.66 42.12 1lca h LEU 236 CO 0.08 -0.20 0.63 0.74 -0.34 0.00 0.00 178.44 179.35 1lca h THR 237 N -0.17 1.26 -0.23 1.05 2.02 -1.16 0.97 112.91 116.65 1lca h THR 237 Ca 0.11 -0.51 -0.12 0.00 0.77 0.00 0.00 66.41 66.65 1lca h THR 237 Cb 0.33 -0.17 -0.01 0.00 -1.74 0.00 0.00 68.15 66.56 1lca h THR 237 CO -0.27 0.26 -0.38 0.45 0.37 0.00 0.00 175.52 175.95 1lca h HIS 238 N 1.35 0.62 -0.12 3.16 3.86 -0.06 -0.39 115.15 123.56 1lca h HIS 238 Ca 0.36 -0.17 -0.15 0.00 -1.16 0.00 0.00 60.37 59.25 1lca h HIS 238 Cb -0.12 -0.14 0.01 0.00 1.06 0.00 0.00 27.41 28.22 1lca h HIS 238 CO 0.00 0.83 -0.51 -0.07 0.86 0.00 0.00 177.93 179.04 1lca h LEU 239 N 0.44 0.67 -0.82 2.43 3.38 -0.01 -1.36 115.31 120.04 1lca h LEU 239 Ca 0.04 -0.63 -0.12 0.00 0.09 0.00 0.00 57.88 57.27 1lca h LEU 239 Cb 0.86 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 1lca h LEU 239 CO 0.07 1.18 -0.40 0.58 0.09 0.00 0.00 178.44 179.96 1lca h VAL 240 N 0.19 1.30 -0.09 1.22 2.07 0.12 -2.75 116.25 118.32 1lca h VAL 240 Ca -0.03 -1.53 -0.16 0.00 0.82 0.00 0.00 66.70 65.79 1lca h VAL 240 Cb 1.15 1.61 -0.01 0.00 -1.52 0.00 0.00 31.29 32.52 1lca h VAL 240 CO 0.11 0.47 -0.65 0.00 0.02 0.00 0.00 177.57 177.52 1lca h ALA 241 N 1.24 0.71 0.00 1.67 0.00 -1.07 -2.38 119.26 119.45 1lca h ALA 241 Ca 0.03 -0.57 -0.04 0.00 0.00 0.00 0.00 54.91 54.34 1lca h ALA 241 Cb 0.85 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 1lca h ALA 241 CO 0.07 0.74 -0.17 1.25 0.00 0.00 0.00 179.25 181.14 1lca h HIS 242 N 0.26 0.00 0.23 0.00 6.17 -1.06 0.16 115.15 120.91 1lca h HIS 242 Ca -0.01 0.00 -0.01 0.00 0.71 0.00 0.00 60.37 61.05 1lca h HIS 242 Cb 1.19 0.00 0.00 0.00 2.52 0.00 0.00 27.41 31.12 1lca h HIS 242 CO 0.03 0.17 -0.11 1.49 0.71 0.00 0.00 177.93 180.22 1lca h GLU 243 N 0.00 -0.30 -0.99 5.26 4.81 -1.18 -3.19 114.58 118.99 1lca h GLU 243 Ca -0.00 0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.21 1lca h GLU 243 Cb 0.97 0.07 -0.02 0.00 0.63 0.00 0.00 28.75 30.40 1lca h GLU 243 CO 0.02 -0.20 0.05 0.00 -0.73 0.00 0.00 179.01 178.15 1lca n GLY 245 N 0.25 -0.08 0.76 0.00 0.00 -0.96 -4.72 105.19 100.44 1lca n GLY 245 Ca 0.06 -0.38 -0.04 0.00 0.00 0.00 0.00 46.02 45.65 1lca n GLY 245 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1lca n LEU 246 N -1.77 0.00 -4.63 0.99 4.77 0.53 -5.01 117.00 111.87 1lca n LEU 246 Ca -0.12 -0.51 -0.29 0.00 -0.03 0.00 0.00 56.01 55.06 1lca n LEU 246 Cb 0.60 -0.06 -0.09 0.00 -2.33 0.00 0.00 43.42 41.53 1lca n LEU 246 CO 0.18 -0.48 -0.25 -0.70 -1.33 0.00 0.00 177.39 174.80 1lca s GLU 247 N -2.49 2.01 -0.11 3.23 2.12 0.18 -4.50 118.70 119.14 1lca s GLU 247 Ca 0.10 -2.22 0.03 0.00 0.36 0.00 0.00 54.97 53.24 1lca s GLU 247 Cb -0.01 -1.27 0.01 0.00 0.26 0.00 0.00 34.13 33.12 1lca s GLU 247 CO 0.07 -0.29 -0.20 0.54 -0.54 0.00 0.00 175.26 174.84 1lca s VAL 248 N -2.97 1.81 0.00 3.70 0.11 -1.26 -0.72 120.40 121.07 1lca s VAL 248 Ca 0.21 -0.85 0.00 0.00 -2.93 0.00 0.00 61.98 58.40 1lca s VAL 248 Cb 0.05 -1.59 0.00 0.00 -1.53 0.00 0.00 36.38 33.30 1lca s VAL 248 CO 0.11 0.50 0.00 0.61 -3.33 0.00 0.00 175.10 172.99 1lca n GLY 249 N 3.82 0.55 3.87 6.54 0.00 -0.26 -3.78 105.19 115.94 1lca n GLY 249 Ca -0.20 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.53 1lca n GLY 249 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1lca s GLU 250 N 2.09 2.23 -0.03 1.61 2.02 -1.24 -1.80 118.70 123.59 1lca s GLU 250 Ca 0.00 -2.19 0.02 0.00 0.02 0.00 0.00 54.97 52.82 1lca s GLU 250 Cb 0.00 -1.89 0.01 0.00 0.10 0.00 0.00 34.13 32.34 1lca s GLU 250 CO 0.00 -0.58 -0.09 0.12 0.02 0.00 0.00 175.26 174.73 1lca s PHE 251 N -2.84 0.96 -0.10 1.61 5.36 -0.14 -3.26 117.98 119.58 1lca s PHE 251 Ca 0.22 -0.25 0.02 0.00 -0.96 0.00 0.00 56.93 55.96 1lca s PHE 251 Cb -0.02 -0.70 0.01 0.00 -0.34 0.00 0.00 43.02 41.98 1lca s PHE 251 CO 0.14 -0.12 -0.17 0.42 -1.46 0.00 0.00 175.22 174.03 1lca s ILE 252 N 0.28 1.61 -0.20 3.12 1.09 -0.32 -0.33 121.20 126.45 1lca s ILE 252 Ca -0.04 -0.73 -0.02 0.00 -1.10 0.00 0.00 60.65 58.75 1lca s ILE 252 Cb -0.09 -1.44 -0.00 0.00 -1.06 0.00 0.00 42.46 39.86 1lca s ILE 252 CO 0.01 0.46 -0.09 -2.28 -0.10 0.00 0.00 174.94 172.94 1lca s HIS 253 N 0.74 2.90 -0.15 3.97 2.46 0.39 -2.61 115.29 122.99 1lca s HIS 253 Ca -0.11 -1.10 0.02 0.00 0.47 0.00 0.00 55.06 54.34 1lca s HIS 253 Cb -0.16 -2.04 0.01 0.00 -0.13 0.00 0.00 32.58 30.26 1lca s HIS 253 CO 0.02 -0.59 -0.21 0.99 -2.47 0.00 0.00 174.74 172.48 1lca s THR 254 N 1.35 2.00 0.01 0.89 2.01 0.72 0.36 115.64 122.98 1lca s THR 254 Ca 0.04 -0.93 0.07 0.00 0.31 0.00 0.00 61.69 61.18 1lca s THR 254 Cb -0.14 -1.78 -0.03 0.00 0.01 0.00 0.00 72.50 70.56 1lca s THR 254 CO -0.05 0.54 -0.20 -0.36 -0.69 0.00 0.00 174.62 173.86 1lca s PHE 255 N 0.96 2.52 0.00 4.92 0.40 -0.95 0.42 117.98 126.25 1lca s PHE 255 Ca -0.04 -0.29 0.00 0.00 -0.60 0.00 0.00 56.93 56.00 1lca s PHE 255 Cb -0.15 -1.50 0.00 0.00 0.51 0.00 0.00 43.02 41.88 1lca s PHE 255 CO -0.05 0.17 0.00 0.41 0.70 0.00 0.00 175.22 176.46 1lca n GLY 256 N 1.91 1.69 3.40 4.36 0.00 -0.16 -3.16 105.19 113.23 1lca n GLY 256 Ca -0.16 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.41 1lca n GLY 256 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1lca s ASP 257 N -1.04 6.54 0.14 1.61 2.15 0.05 -1.15 116.67 124.97 1lca s ASP 257 Ca 0.00 -2.03 -0.25 0.00 0.43 0.00 0.00 52.55 50.70 1lca s ASP 257 Cb 0.00 -2.32 -0.07 0.00 -0.30 0.00 0.00 42.92 40.22 1lca s ASP 257 CO 0.00 -0.96 0.76 0.00 -0.17 0.00 0.00 175.17 174.80 1lca s ALA 258 N 2.06 3.44 -0.03 3.66 0.00 -0.89 -1.07 121.76 128.93 1lca s ALA 258 Ca 0.23 0.33 -0.23 0.00 0.00 0.00 0.00 51.96 52.29 1lca s ALA 258 Cb -0.11 -2.94 0.05 0.00 0.00 0.00 0.00 23.12 20.11 1lca s ALA 258 CO -0.05 0.26 0.50 -3.38 0.00 0.00 0.00 175.76 173.09 1lca s HIS 259 N -0.94 -0.43 -0.11 0.00 -3.43 -1.21 -0.70 115.29 108.47 1lca s HIS 259 Ca 0.36 0.71 0.02 0.00 -0.80 0.00 0.00 55.06 55.35 1lca s HIS 259 Cb -0.22 0.26 -0.00 0.00 -1.43 0.00 0.00 32.58 31.18 1lca s HIS 259 CO 0.25 -0.51 -0.20 -1.17 -2.00 0.00 0.00 174.74 171.12 1lca s LEU 260 N -1.26 2.32 0.22 5.38 2.96 -0.50 -0.78 118.68 127.01 1lca s LEU 260 Ca -0.12 -0.48 -0.31 0.00 -0.22 0.00 0.00 54.13 52.99 1lca s LEU 260 Cb -0.02 -1.49 -0.15 0.00 0.50 0.00 0.00 46.19 45.03 1lca s LEU 260 CO 0.07 0.15 1.24 -1.22 -1.32 0.00 0.00 176.35 175.27 1lca n TYR 261 N 3.58 1.63 0.30 5.38 4.01 -1.26 -1.68 117.16 129.12 1lca n TYR 261 Ca -0.19 0.59 0.16 0.00 -0.16 0.00 0.00 57.90 58.31 1lca n TYR 261 Cb 0.53 -2.34 0.91 0.00 -0.31 0.00 0.00 39.34 38.13 1lca n TYR 261 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 1lca h VAL 262 N 2.72 0.36 -0.13 -0.72 2.07 -0.84 0.14 116.25 119.85 1lca h VAL 262 Ca -0.43 -0.23 -0.13 0.00 0.82 0.00 0.00 66.70 66.73 1lca h VAL 262 Cb 1.32 1.16 -0.01 0.00 -1.52 0.00 0.00 31.29 32.24 1lca h VAL 262 CO 0.71 0.04 -0.50 0.78 0.02 0.00 0.00 177.57 178.62 1lca h ASN 263 N 0.00 0.37 -0.42 0.57 4.21 -1.90 -3.21 115.58 115.20 1lca h ASN 263 Ca -0.00 -0.19 0.00 0.00 1.21 0.00 0.00 56.30 57.32 1lca h ASN 263 Cb 0.16 -0.11 0.00 0.00 -1.12 0.00 0.00 38.32 37.25 1lca h ASN 263 CO 0.01 0.82 0.00 1.41 -1.29 0.00 0.00 177.43 178.37 1lca n HIS 264 N -3.96 0.65 0.13 1.19 8.25 0.50 -4.45 115.22 117.53 1lca n HIS 264 Ca -0.02 -0.30 0.01 0.00 -0.26 0.00 0.00 57.72 57.14 1lca n HIS 264 Cb 0.56 -0.04 0.32 0.00 1.12 0.00 0.00 29.99 31.94 1lca n HIS 264 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 1lca h LEU 265 N 2.47 0.18 0.05 2.41 7.12 -1.58 -2.92 115.31 123.03 1lca h LEU 265 Ca 0.00 -0.06 -0.00 0.00 0.13 0.00 0.00 57.88 57.95 1lca h LEU 265 Cb 0.67 -0.05 0.00 0.00 -0.53 0.00 0.00 40.66 40.75 1lca h LEU 265 CO 0.04 0.48 -0.02 0.44 -0.13 0.00 0.00 178.44 179.24 1lca h ASP 266 N 0.16 -0.05 0.53 1.25 3.32 -1.87 -3.23 116.42 116.52 1lca h ASP 266 Ca 0.02 -0.24 0.00 0.00 0.02 0.00 0.00 57.03 56.84 1lca h ASP 266 Cb 0.62 0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.18 1lca h ASP 266 CO 0.04 0.21 0.00 0.00 -1.72 0.00 0.00 179.24 177.77 1lca n GLN 267 N -5.00 0.14 0.02 3.56 3.00 -1.14 -1.90 117.38 116.05 1lca n GLN 267 Ca -0.08 0.43 -0.17 0.00 -0.01 0.00 0.00 57.00 57.17 1lca n GLN 267 Cb 0.16 -1.80 -0.14 0.00 0.00 0.00 0.00 30.24 28.46 1lca n GLN 267 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.06 178.03 1lca h ILE 268 N 0.00 0.85 -0.97 5.09 2.10 -1.53 -3.23 117.51 119.82 1lca h ILE 268 Ca 0.00 -2.57 0.09 0.00 1.08 0.00 0.00 64.86 63.45 1lca h ILE 268 Cb 0.26 2.58 -0.07 0.00 -1.09 0.00 0.00 36.82 38.50 1lca h ILE 268 CO 0.00 0.78 0.61 0.11 -1.08 0.00 0.00 178.15 178.56 1lca h LYS 269 N 0.06 1.02 0.24 2.19 1.57 -1.51 0.16 116.57 120.29 1lca h LYS 269 Ca -0.33 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.38 1lca h LYS 269 Cb 2.03 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 34.11 1lca h LYS 269 CO 0.11 0.67 -0.11 1.49 -0.57 0.00 0.00 179.45 181.05 1lca h GLU 270 N 1.05 -0.31 -0.66 3.15 4.81 -1.43 -1.65 114.58 119.54 1lca h GLU 270 Ca 0.44 0.02 0.08 0.00 -0.13 0.00 0.00 59.36 59.77 1lca h GLU 270 Cb 0.29 0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.70 1lca h GLU 270 CO -0.21 -0.14 0.44 0.37 -0.73 0.00 0.00 179.01 178.73 1lca h GLN 271 N -0.40 0.57 0.00 1.92 4.15 -0.81 -1.72 115.11 118.82 1lca h GLN 271 Ca -0.03 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.35 1lca h GLN 271 Cb 0.30 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 27.87 1lca h GLN 271 CO 0.05 0.38 0.00 1.28 -1.93 0.00 0.00 178.83 178.61 1lca n LEU 272 N -4.48 0.00 -1.19 -2.39 4.32 0.03 0.47 117.00 113.76 1lca n LEU 272 Ca 0.10 0.36 0.11 0.00 -0.02 0.00 0.00 56.01 56.55 1lca n LEU 272 Cb 0.30 -0.36 0.28 0.00 -1.62 0.00 0.00 43.42 42.03 1lca n LEU 272 CO 0.34 -0.15 0.74 -1.54 -1.22 0.00 0.00 177.39 175.56 1lca n SER 273 N -1.36 3.45 -5.01 -1.43 3.41 -0.65 -4.91 113.62 107.13 1lca n SER 273 Ca 0.07 -1.99 -0.17 0.00 -0.26 0.00 0.00 58.87 56.51 1lca n SER 273 Cb 0.16 -0.42 0.01 0.00 -0.26 0.00 0.00 64.21 63.71 1lca n SER 273 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1lca s ARG 274 N -1.17 2.82 -0.11 4.33 3.00 0.18 -5.09 118.95 122.91 1lca s ARG 274 Ca 0.43 -1.19 -0.03 0.00 0.00 0.00 0.00 55.73 54.93 1lca s ARG 274 Cb 0.23 -2.74 0.05 0.00 0.00 0.00 0.00 34.95 32.48 1lca s ARG 274 CO 0.30 -0.29 0.09 0.99 0.00 0.00 0.00 175.30 176.38 1lca s THR 275 N -2.38 -0.12 0.48 0.02 2.01 -1.26 -5.07 115.64 109.32 1lca s THR 275 Ca 0.55 0.14 -0.21 0.00 0.31 0.00 0.00 61.69 62.48 1lca s THR 275 Cb -0.10 -0.37 -0.11 0.00 0.01 0.00 0.00 72.50 71.93 1lca s THR 275 CO 0.33 -0.04 0.54 -0.81 -0.69 0.00 0.00 174.62 173.95 1lca n PRO 276 N 5.29 0.58 -4.23 4.92 -0.04 -1.26 -4.98 135.00 135.28 1lca n PRO 276 Ca -0.05 0.22 -0.26 0.00 -0.04 0.00 0.00 63.50 63.37 1lca n PRO 276 Cb 0.50 -1.59 -0.08 0.00 -0.04 0.00 0.00 33.50 32.29 1lca n PRO 276 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1lca s ARG 277 N -1.75 2.36 0.87 0.54 0.52 -1.26 -5.10 118.95 115.12 1lca s ARG 277 Ca 0.65 -1.19 -0.11 0.00 -0.52 0.00 0.00 55.73 54.56 1lca s ARG 277 Cb -0.54 -2.30 0.12 0.00 0.52 0.00 0.00 34.95 32.75 1lca s ARG 277 CO 0.57 0.43 1.17 -2.14 0.02 0.00 0.00 175.30 175.35 1lca s PRO 278 N -3.11 1.28 0.28 3.54 0.02 -1.26 -4.81 135.00 130.93 1lca s PRO 278 Ca 0.28 1.62 -0.30 0.00 0.02 0.00 0.00 61.00 62.62 1lca s PRO 278 Cb -0.09 -1.75 -0.11 0.00 0.02 0.00 0.00 34.50 32.58 1lca s PRO 278 CO 0.19 -2.45 1.50 0.00 -0.33 0.00 0.00 177.00 175.91 1lca s ALA 279 N -2.48 3.67 1.22 -1.55 0.00 -1.26 -4.83 121.76 116.53 1lca s ALA 279 Ca 0.69 1.44 -0.14 0.00 0.00 0.00 0.00 51.96 53.95 1lca s ALA 279 Cb -0.25 -3.60 0.31 0.00 0.00 0.00 0.00 23.12 19.58 1lca s ALA 279 CO 0.55 -0.86 0.98 -0.35 0.00 0.00 0.00 175.76 176.08 1lca n PRO 280 N 2.13 -2.78 -4.60 0.00 -0.04 -1.26 -4.65 135.00 123.81 1lca n PRO 280 Ca 0.07 -0.79 -0.28 0.00 -0.04 0.00 0.00 63.50 62.46 1lca n PRO 280 Cb 0.39 -2.13 -0.09 0.00 -0.04 0.00 0.00 33.50 31.63 1lca n PRO 280 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1lca s THR 281 N -2.37 1.08 -0.10 0.52 2.01 0.85 -1.63 115.64 116.01 1lca s THR 281 Ca 0.69 -2.00 -0.04 0.00 0.31 0.00 0.00 61.69 60.65 1lca s THR 281 Cb -0.25 -2.45 0.05 0.00 0.01 0.00 0.00 72.50 69.87 1lca s THR 281 CO 0.66 0.00 0.20 -0.22 -0.69 0.00 0.00 174.62 174.56 1lca s LEU 282 N -3.69 -0.13 -0.21 4.42 0.20 -1.26 -0.57 118.68 117.42 1lca s LEU 282 Ca 0.21 0.43 -0.12 0.00 0.69 0.00 0.00 54.13 55.34 1lca s LEU 282 Cb 0.04 0.44 -0.05 0.00 -0.43 0.00 0.00 46.19 46.19 1lca s LEU 282 CO 0.11 -0.24 0.23 -1.58 -0.29 0.00 0.00 176.35 174.58 1lca s GLN 283 N 2.30 4.14 -0.30 1.98 0.74 0.12 -4.96 119.66 123.68 1lca s GLN 283 Ca 0.02 -0.11 0.01 0.00 0.05 0.00 0.00 55.36 55.33 1lca s GLN 283 Cb -0.12 -3.51 0.07 0.00 1.10 0.00 0.00 33.01 30.55 1lca s GLN 283 CO -0.07 0.10 -0.01 -1.17 -0.55 0.00 0.00 175.29 173.59 1lca s LEU 284 N 0.94 4.04 -0.42 3.68 2.96 -1.26 -2.24 118.68 126.38 1lca s LEU 284 Ca 0.11 -1.58 -0.37 0.00 -0.22 0.00 0.00 54.13 52.08 1lca s LEU 284 Cb -0.13 -1.65 -0.16 0.00 0.50 0.00 0.00 46.19 44.75 1lca s LEU 284 CO 0.04 -0.29 1.73 -3.20 -1.32 0.00 0.00 176.35 173.31 1lca n ASN 285 N 4.47 0.67 -0.69 3.68 2.85 -0.59 -4.84 115.26 120.82 1lca n ASN 285 Ca -0.09 0.62 0.13 0.00 -0.11 0.00 0.00 54.58 55.12 1lca n ASN 285 Cb 0.42 -0.75 0.36 0.00 1.24 0.00 0.00 39.78 41.05 1lca n ASN 285 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 1lca n PRO 286 N 5.90 1.93 -0.07 1.20 -0.05 -1.26 -3.01 135.00 139.64 1lca n PRO 286 Ca 0.43 -1.37 -0.03 0.00 -0.05 0.00 0.00 63.50 62.48 1lca n PRO 286 Cb -0.04 -1.46 -0.16 0.00 -0.05 0.00 0.00 33.50 31.79 1lca n PRO 286 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 175.50 175.20 1lca n ASP 287 N 0.64 0.04 -4.87 3.54 8.00 -1.26 -4.97 116.55 117.66 1lca n ASP 287 Ca 0.17 0.02 -0.35 0.00 0.71 0.00 0.00 54.79 55.34 1lca n ASP 287 Cb 0.44 1.28 -0.05 0.00 -0.02 0.00 0.00 41.12 42.77 1lca n ASP 287 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 1lca s LYS 288 N -2.84 3.71 0.00 -1.24 2.20 -1.17 -5.02 119.74 115.39 1lca s LYS 288 Ca -0.09 0.11 0.00 0.00 -0.36 0.00 0.00 55.97 55.63 1lca s LYS 288 Cb 0.09 -3.03 0.00 0.00 -1.51 0.00 0.00 37.83 33.38 1lca s LYS 288 CO 0.86 0.59 0.00 0.72 -0.36 0.00 0.00 175.35 177.15 1lca n HIS 289 N 0.98 0.00 -2.91 4.03 8.25 -1.26 -4.86 115.22 119.45 1lca n HIS 289 Ca -0.09 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 56.94 1lca n HIS 289 Cb 0.52 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.59 1lca n HIS 289 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1lca s ASP 290 N -2.60 6.22 0.64 0.41 2.15 -1.26 -4.68 116.67 117.55 1lca s ASP 290 Ca 0.00 -0.86 0.23 0.00 0.43 0.00 0.00 52.55 52.35 1lca s ASP 290 Cb 0.00 -2.40 1.21 0.00 -0.30 0.00 0.00 42.92 41.43 1lca s ASP 290 CO 0.00 -1.30 1.68 0.16 -0.17 0.00 0.00 175.17 175.54 1lca h ILE 291 N 5.97 0.08 0.00 4.11 3.07 -1.94 0.40 117.51 129.20 1lca h ILE 291 Ca -0.28 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.13 1lca h ILE 291 Cb 1.08 0.47 0.00 0.00 -0.27 0.00 0.00 36.82 38.09 1lca h ILE 291 CO 1.13 0.00 0.00 -0.26 -1.05 0.00 0.00 178.15 177.97 1lca h PHE 292 N 0.00 0.00 -0.67 0.16 0.04 -1.89 -1.17 116.94 113.42 1lca h PHE 292 Ca 0.08 0.00 -0.29 0.00 2.80 0.00 0.00 57.97 60.57 1lca h PHE 292 Cb 1.22 0.00 -0.17 0.00 2.20 0.00 0.00 35.95 39.20 1lca h PHE 292 CO 0.00 0.00 0.28 -3.47 -0.60 0.00 0.00 178.31 174.52 1lca n ASP 293 N -2.79 3.71 -4.69 2.17 2.03 0.14 -4.78 116.55 112.33 1lca n ASP 293 Ca -0.00 -3.49 -0.42 0.00 0.52 0.00 0.00 54.79 51.39 1lca n ASP 293 Cb 0.21 -0.73 -0.03 0.00 -0.72 0.00 0.00 41.12 39.85 1lca n ASP 293 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 1lca s PHE 294 N -3.16 2.78 0.13 -0.67 0.40 -0.44 -4.96 117.98 112.05 1lca s PHE 294 Ca 0.52 0.67 -0.01 0.00 -0.60 0.00 0.00 56.93 57.51 1lca s PHE 294 Cb 0.44 -3.77 -0.04 0.00 0.51 0.00 0.00 43.02 40.15 1lca s PHE 294 CO 0.08 -2.92 0.31 0.34 0.70 0.00 0.00 175.22 173.73 1lca s ASP 295 N 1.91 6.39 0.19 1.36 2.15 -1.26 -5.03 116.67 122.39 1lca s ASP 295 Ca 0.67 0.36 -0.23 0.00 0.43 0.00 0.00 52.55 53.79 1lca s ASP 295 Cb -0.35 -2.00 0.11 0.00 -0.30 0.00 0.00 42.92 40.38 1lca s ASP 295 CO 0.29 0.07 1.56 0.24 -0.17 0.00 0.00 175.17 177.16 1lca h MET 296 N 2.60 -0.10 0.00 4.34 2.86 -1.96 0.20 114.93 122.87 1lca h MET 296 Ca -0.46 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.18 1lca h MET 296 Cb 1.17 0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.86 1lca h MET 296 CO 0.72 -0.07 0.06 1.63 1.06 0.00 0.00 176.91 180.31 1lca n LYS 297 N -5.41 0.00 0.00 1.72 4.01 -1.26 -2.23 118.16 114.99 1lca n LYS 297 Ca 0.05 0.12 0.12 0.00 -0.51 0.00 0.00 58.31 58.09 1lca n LYS 297 Cb 0.36 -1.56 0.28 0.00 -0.51 0.00 0.00 35.03 33.60 1lca n LYS 297 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 1lca n ASP 298 N -1.01 1.35 -3.29 4.39 8.00 0.71 -4.20 116.55 122.49 1lca n ASP 298 Ca 0.00 -1.11 -0.27 0.00 0.71 0.00 0.00 54.79 54.12 1lca n ASP 298 Cb 0.06 0.22 -0.07 0.00 -0.02 0.00 0.00 41.12 41.31 1lca n ASP 298 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 1lca n ILE 299 N -0.41 2.49 -2.74 0.53 5.41 -0.95 -1.54 119.36 122.16 1lca n ILE 299 Ca 0.12 -5.30 -0.43 0.00 1.00 0.00 0.00 62.75 58.15 1lca n ILE 299 Cb 0.38 -1.91 -0.03 0.00 -0.71 0.00 0.00 39.64 37.38 1lca n ILE 299 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 176.55 176.01 1lca s LYS 300 N -2.72 4.25 0.09 0.38 1.02 -0.95 -4.87 119.74 116.95 1lca s LYS 300 Ca 0.42 1.22 -0.27 0.00 0.02 0.00 0.00 55.97 57.36 1lca s LYS 300 Cb 0.18 -3.63 -0.06 0.00 -0.52 0.00 0.00 37.83 33.80 1lca s LYS 300 CO -0.04 -0.56 0.86 -1.17 -0.92 0.00 0.00 175.35 173.51 1lca s LEU 301 N 2.95 4.49 0.11 3.17 2.96 -1.26 0.16 118.68 131.26 1lca s LEU 301 Ca 0.41 1.63 0.10 0.00 -0.22 0.00 0.00 54.13 56.05 1lca s LEU 301 Cb -0.15 -3.40 -0.04 0.00 0.50 0.00 0.00 46.19 43.10 1lca s LEU 301 CO 0.08 0.01 -0.22 -0.76 -1.32 0.00 0.00 176.35 174.13 1lca s LEU 302 N -0.20 2.50 -1.14 -0.68 1.43 0.26 -4.78 118.68 116.07 1lca s LEU 302 Ca 0.42 -0.63 -0.07 0.00 -1.03 0.00 0.00 54.13 52.81 1lca s LEU 302 Cb -0.22 -1.39 0.01 0.00 0.03 0.00 0.00 46.19 44.62 1lca s LEU 302 CO 0.27 0.19 1.00 0.59 0.23 0.00 0.00 176.35 178.62 1lca n ASN 303 N 0.96 -5.63 -4.49 2.29 4.13 -1.26 -0.10 115.26 111.16 1lca n ASN 303 Ca -0.17 -0.46 -0.43 0.00 1.68 0.00 0.00 54.58 55.20 1lca n ASN 303 Cb 0.53 -4.32 -0.05 0.00 -1.54 0.00 0.00 39.78 34.39 1lca n ASN 303 CO 0.00 0.00 0.00 -0.47 0.28 0.00 0.00 177.26 177.07 1lca s TYR 304 N -3.27 2.94 -0.79 3.10 5.04 -1.26 -4.03 117.35 119.07 1lca s TYR 304 Ca 0.49 -0.25 0.02 0.00 -2.44 0.00 0.00 57.07 54.89 1lca s TYR 304 Cb -0.21 -3.75 0.30 0.00 0.35 0.00 0.00 41.96 38.65 1lca s TYR 304 CO 0.61 -1.15 1.19 -3.47 -1.34 0.00 0.00 175.55 171.40 1lca n ASP 305 N 6.73 5.30 -4.88 4.32 2.03 -1.26 -5.07 116.55 123.72 1lca n ASP 305 Ca -0.02 -3.57 -0.29 0.00 0.52 0.00 0.00 54.79 51.43 1lca n ASP 305 Cb 0.47 -0.87 0.08 0.00 -0.72 0.00 0.00 41.12 40.08 1lca n ASP 305 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1lca s PRO 306 N -3.24 2.19 1.10 -0.67 0.04 -1.26 -4.93 135.00 128.22 1lca s PRO 306 Ca 0.41 0.28 -0.18 0.00 0.04 0.00 0.00 61.00 61.55 1lca s PRO 306 Cb 0.18 -1.96 0.25 0.00 0.04 0.00 0.00 34.50 33.01 1lca s PRO 306 CO -0.05 -1.47 1.19 0.71 0.04 0.00 0.00 177.00 177.42 1lca s TYR 307 N -3.45 0.95 0.00 0.56 1.51 0.10 -4.94 117.35 112.09 1lca s TYR 307 Ca 0.61 0.43 0.00 0.00 -1.01 0.00 0.00 57.07 57.10 1lca s TYR 307 Cb -0.12 -3.72 0.00 0.00 -0.11 0.00 0.00 41.96 38.02 1lca s TYR 307 CO 0.51 -3.38 0.00 -0.35 -1.11 0.00 0.00 175.55 171.22 1lca n PRO 308 N -4.36 -1.43 -4.42 -1.71 -0.04 -1.26 -3.82 135.00 117.97 1lca n PRO 308 Ca 0.14 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.34 1lca n PRO 308 Cb 0.59 0.00 -0.12 0.00 -0.04 0.00 0.00 33.50 33.94 1lca n PRO 308 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1lca s ALA 309 N -2.01 2.51 0.19 0.55 0.00 -1.26 -2.32 121.76 119.42 1lca s ALA 309 Ca 0.00 -1.65 0.04 0.00 0.00 0.00 0.00 51.96 50.35 1lca s ALA 309 Cb 0.00 -0.31 -0.03 0.00 0.00 0.00 0.00 23.12 22.77 1lca s ALA 309 CO 0.00 0.40 0.28 0.42 0.00 0.00 0.00 175.76 176.86 1lca s ILE 310 N -1.77 5.10 -0.46 0.00 1.09 -1.26 -4.99 121.20 118.91 1lca s ILE 310 Ca 0.21 -0.90 -0.17 0.00 -1.10 0.00 0.00 60.65 58.68 1lca s ILE 310 Cb -0.07 -3.68 0.05 0.00 -1.06 0.00 0.00 42.46 37.69 1lca s ILE 310 CO 0.10 -0.19 0.49 -1.59 -0.10 0.00 0.00 174.94 173.65 1lca s LYS 311 N -3.50 3.07 -0.00 2.79 -2.85 -1.26 -5.07 119.74 112.92 1lca s LYS 311 Ca 0.34 -0.97 -0.12 0.00 -1.00 0.00 0.00 55.97 54.21 1lca s LYS 311 Cb -0.10 -4.06 -0.05 0.00 -2.06 0.00 0.00 37.83 31.56 1lca s LYS 311 CO 0.28 -1.03 0.36 0.00 0.10 0.00 0.00 175.35 175.06 1lca s ALA 312 N 2.16 3.73 0.32 0.59 0.00 -1.26 -4.97 121.76 122.33 1lca s ALA 312 Ca 0.11 -0.32 -0.29 0.00 0.00 0.00 0.00 51.96 51.45 1lca s ALA 312 Cb -0.20 -2.29 -0.12 0.00 0.00 0.00 0.00 23.12 20.51 1lca s ALA 312 CO 0.11 0.52 1.54 -2.30 0.00 0.00 0.00 175.76 175.63 1lca n PRO 313 N 1.63 2.63 -1.63 0.00 -0.02 -1.26 -5.00 135.00 131.35 1lca n PRO 313 Ca -0.14 0.93 -0.45 0.00 -2.02 0.00 0.00 63.50 61.82 1lca n PRO 313 Cb 0.53 -2.68 -0.02 0.00 -0.02 0.00 0.00 33.50 31.30 1lca n PRO 313 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1lca n VAL 314 N 1.49 1.41 0.61 -1.45 0.31 -1.26 -4.86 118.33 114.58 1lca n VAL 314 Ca 0.06 -0.35 0.00 0.00 -0.01 0.00 0.00 64.34 64.04 1lca n VAL 314 Cb 0.37 -1.21 0.00 0.00 -0.91 0.00 0.00 33.84 32.09 1lca n VAL 314 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1lca n ALA 315 N 1.07 2.03 -0.22 3.52 0.00 -1.26 -5.12 120.51 120.54 1lca n ALA 315 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.55 1lca n ALA 315 Cb 0.31 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.76 1lca n ALA 315 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78