#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3idf s LYS 2 N 0.00 4.27 -0.35 0.03 1.02 0.10 -4.92 119.74 119.89 3idf s LYS 2 Ca 0.00 1.47 -0.13 0.00 0.02 0.00 0.00 55.97 57.33 3idf s LYS 2 Cb 0.00 -3.66 -0.01 0.00 -0.52 0.00 0.00 37.83 33.64 3idf s LYS 2 CO 0.00 -0.61 0.24 0.15 -0.92 0.00 0.00 175.35 174.21 3idf s LYS 3 N 3.13 3.35 -0.15 1.68 1.02 -1.26 -1.14 119.74 126.36 3idf s LYS 3 Ca 0.48 -0.74 -0.08 0.00 0.02 0.00 0.00 55.97 55.65 3idf s LYS 3 Cb -0.18 -3.81 -0.04 0.00 -0.52 0.00 0.00 37.83 33.28 3idf s LYS 3 CO 0.11 -0.51 0.14 -0.51 -0.92 0.00 0.00 175.35 173.66 3idf s LEU 4 N 1.70 4.31 -0.18 3.17 1.43 -0.19 -0.45 118.68 128.47 3idf s LEU 4 Ca 0.06 0.37 -0.00 0.00 -1.03 0.00 0.00 54.13 53.52 3idf s LEU 4 Cb -0.18 -2.09 0.01 0.00 0.03 0.00 0.00 46.19 43.96 3idf s LEU 4 CO 0.10 0.31 -0.15 -0.22 0.23 0.00 0.00 176.35 176.62 3idf s LEU 5 N -0.42 2.41 -0.24 1.79 2.96 0.05 -0.38 118.68 124.84 3idf s LEU 5 Ca 0.12 -0.54 0.00 0.00 -0.22 0.00 0.00 54.13 53.50 3idf s LEU 5 Cb -0.12 -1.57 0.04 0.00 0.50 0.00 0.00 46.19 45.05 3idf s LEU 5 CO 0.02 0.02 -0.10 0.12 -1.32 0.00 0.00 176.35 175.09 3idf s PHE 6 N 1.21 3.10 -0.70 5.38 5.36 0.52 -0.35 117.98 132.50 3idf s PHE 6 Ca 0.02 -1.86 -0.26 0.00 -0.96 0.00 0.00 56.93 53.88 3idf s PHE 6 Cb -0.14 -2.00 0.04 0.00 -0.34 0.00 0.00 43.02 40.58 3idf s PHE 6 CO -0.07 -0.80 1.19 0.00 -1.46 0.00 0.00 175.22 174.08 3idf s ALA 7 N 1.24 2.87 0.63 11.12 0.00 -0.75 -1.46 121.76 135.40 3idf s ALA 7 Ca -0.02 -1.40 -0.12 0.00 0.00 0.00 0.00 51.96 50.42 3idf s ALA 7 Cb -0.17 -4.14 -0.03 0.00 0.00 0.00 0.00 23.12 18.78 3idf s ALA 7 CO -0.06 -3.08 1.03 0.96 0.00 0.00 0.00 175.76 174.61 3idf s ILE 8 N 5.25 4.41 0.12 0.00 -4.36 -1.03 -4.50 121.20 121.09 3idf s ILE 8 Ca 0.33 0.86 -0.23 0.00 -0.26 0.00 0.00 60.65 61.35 3idf s ILE 8 Cb -0.10 -3.67 0.06 0.00 1.25 0.00 0.00 42.46 40.00 3idf s ILE 8 CO 0.15 -0.95 0.58 -0.62 0.24 0.00 0.00 174.94 174.34 3idf s ASP 9 N -3.81 -0.53 -1.32 4.36 -1.08 -1.26 -4.85 116.67 108.18 3idf s ASP 9 Ca 0.57 0.08 -0.08 0.00 -0.52 0.00 0.00 52.55 52.60 3idf s ASP 9 Cb -0.12 0.57 0.13 0.00 -1.46 0.00 0.00 42.92 42.04 3idf s ASP 9 CO 0.50 -0.88 2.15 -0.67 0.52 0.00 0.00 175.17 176.78 3idf n ASP 10 N -0.12 6.49 -4.24 -0.34 2.03 -1.26 -4.75 116.55 114.36 3idf n ASP 10 Ca -0.17 -3.10 -0.14 0.00 0.52 0.00 0.00 54.79 51.90 3idf n ASP 10 Cb 0.63 -1.43 -0.10 0.00 -0.72 0.00 0.00 41.12 39.50 3idf n ASP 10 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 3idf s THR 11 N -0.16 1.13 0.34 5.18 -4.23 -1.26 -5.04 115.64 111.61 3idf s THR 11 Ca 0.47 -1.97 0.13 0.00 -1.18 0.00 0.00 61.69 59.14 3idf s THR 11 Cb 0.14 -1.75 0.07 0.00 1.34 0.00 0.00 72.50 72.30 3idf s THR 11 CO -0.04 -0.70 1.79 -0.33 -0.54 0.00 0.00 174.62 174.79 3idf h GLU 12 N 2.95 0.00 -0.53 3.99 5.08 -1.99 -2.48 114.58 121.60 3idf h GLU 12 Ca -0.37 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 57.91 3idf h GLU 12 Cb 1.19 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.42 3idf h GLU 12 CO 0.61 0.42 -0.01 0.00 -1.00 0.00 0.00 179.01 179.03 3idf h ALA 13 N 1.58 0.98 0.00 3.43 0.00 -1.91 -1.56 119.26 121.78 3idf h ALA 13 Ca -0.00 -0.29 -0.11 0.00 0.00 0.00 0.00 54.91 54.51 3idf h ALA 13 Cb 0.75 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 3idf h ALA 13 CO 0.05 0.62 -0.51 0.00 0.00 0.00 0.00 179.25 179.42 3idf h GLU 15 N 0.00 1.01 -0.20 0.00 5.08 -1.08 -0.01 114.58 119.38 3idf h GLU 15 Ca -0.01 -0.28 -0.17 0.00 -1.00 0.00 0.00 59.36 57.91 3idf h GLU 15 Cb 0.91 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 30.04 3idf h GLU 15 CO 0.07 0.95 -0.57 0.00 -1.00 0.00 0.00 179.01 178.46 3idf h ARG 16 N 0.94 0.62 -0.47 2.33 3.08 -1.00 -2.58 114.38 117.29 3idf h ARG 16 Ca 0.18 -0.40 -0.00 0.00 0.07 0.00 0.00 59.98 59.83 3idf h ARG 16 Cb 0.46 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.54 3idf h ARG 16 CO 0.02 1.02 0.29 0.00 -1.07 0.00 0.00 179.97 180.22 3idf h ALA 17 N 0.89 0.61 -0.19 0.04 0.00 -0.77 -0.64 119.26 119.20 3idf h ALA 17 Ca 0.00 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 54.88 3idf h ALA 17 Cb 1.14 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.71 3idf h ALA 17 CO 0.11 0.09 0.02 0.00 0.00 0.00 0.00 179.25 179.47 3idf h ALA 18 N 1.14 0.18 -0.90 0.00 0.00 -0.87 -0.45 119.26 118.35 3idf h ALA 18 Ca 0.17 0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.14 3idf h ALA 18 Cb -0.01 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.80 3idf h ALA 18 CO -0.03 -0.42 0.60 0.37 0.00 0.00 0.00 179.25 179.77 3idf h GLN 19 N 0.09 1.17 -0.41 0.00 5.75 -1.33 -2.32 115.11 118.05 3idf h GLN 19 Ca 0.09 -0.07 -0.10 0.00 -0.15 0.00 0.00 58.65 58.42 3idf h GLN 19 Cb 0.10 -0.26 -0.01 0.00 1.07 0.00 0.00 27.48 28.37 3idf h GLN 19 CO -0.14 0.77 -0.12 -0.92 -2.65 0.00 0.00 178.83 175.78 3idf h TYR 20 N 1.20 0.91 -0.44 3.99 3.20 -0.62 0.53 116.97 125.75 3idf h TYR 20 Ca 0.34 -0.20 0.06 0.00 3.14 0.00 0.00 58.73 62.07 3idf h TYR 20 Cb -0.10 -0.22 -0.05 0.00 1.54 0.00 0.00 36.73 37.90 3idf h TYR 20 CO -0.00 0.93 0.14 0.82 -1.64 0.00 0.00 178.16 178.42 3idf h ILE 21 N 0.62 0.85 -0.06 1.81 2.04 -0.91 0.90 117.51 122.77 3idf h ILE 21 Ca 0.10 -0.10 0.01 0.00 1.00 0.00 0.00 64.86 65.87 3idf h ILE 21 Cb 0.65 0.51 -0.01 0.00 -0.74 0.00 0.00 36.82 37.24 3idf h ILE 21 CO 0.04 0.06 0.00 0.25 0.00 0.00 0.00 178.15 178.50 3idf h LEU 22 N 0.30 -0.01 -1.22 1.44 5.85 -1.15 0.63 115.31 121.15 3idf h LEU 22 Ca 0.21 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.93 3idf h LEU 22 Cb 0.21 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.22 3idf h LEU 22 CO -0.22 0.00 0.38 0.44 -0.34 0.00 0.00 178.44 178.70 3idf h ASP 23 N 0.03 0.81 0.30 1.25 3.32 -0.60 -0.37 116.42 121.16 3idf h ASP 23 Ca 0.02 -0.06 -0.33 0.00 0.02 0.00 0.00 57.03 56.69 3idf h ASP 23 Cb 0.02 -0.21 -0.04 0.00 0.22 0.00 0.00 39.33 39.33 3idf h ASP 23 CO -0.04 0.65 -1.89 0.23 -1.72 0.00 0.00 179.24 176.47 3idf n MET 24 N -4.38 0.69 0.00 3.56 2.81 0.29 -4.60 117.12 115.48 3idf n MET 24 Ca 0.07 0.26 0.00 0.00 -1.81 0.00 0.00 57.70 56.22 3idf n MET 24 Cb 0.09 -1.74 0.00 0.00 -0.71 0.00 0.00 33.22 30.86 3idf n MET 24 CO 0.00 0.00 0.00 1.19 1.51 0.00 0.00 175.97 178.67 3idf n PHE 25 N -3.21 0.00 0.29 2.03 3.72 0.22 -4.80 117.46 115.71 3idf n PHE 25 Ca -0.25 0.00 0.18 0.00 -0.05 0.00 0.00 57.45 57.33 3idf n PHE 25 Cb 1.05 0.00 0.87 0.00 -0.94 0.00 0.00 39.48 40.46 3idf n PHE 25 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 3idf h GLY 26 N 0.00 0.00 -1.87 1.37 0.00 -1.05 -2.16 103.07 99.36 3idf h GLY 26 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3idf h GLY 26 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.82 3idf n LYS 27 N -3.22 2.13 -2.76 4.80 4.76 -1.26 -4.91 118.16 117.71 3idf n LYS 27 Ca -0.01 -1.93 -0.43 0.00 -2.87 0.00 0.00 58.31 53.07 3idf n LYS 27 Cb 0.22 -1.43 -0.03 0.00 -1.84 0.00 0.00 35.03 31.94 3idf n LYS 27 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 3idf s ASP 28 N -1.64 6.77 0.21 4.39 -1.08 -0.81 -4.93 116.67 119.58 3idf s ASP 28 Ca 0.29 0.76 0.02 0.00 -0.52 0.00 0.00 52.55 53.10 3idf s ASP 28 Cb 0.19 -2.49 0.17 0.00 -1.46 0.00 0.00 42.92 39.33 3idf s ASP 28 CO 0.28 -0.85 1.51 0.00 0.52 0.00 0.00 175.17 176.62 3idf h ALA 29 N 8.32 0.75 -0.52 3.66 0.00 -1.91 -3.33 119.26 126.21 3idf h ALA 29 Ca -0.22 -0.58 -0.42 0.00 0.00 0.00 0.00 54.91 53.69 3idf h ALA 29 Cb 1.07 -0.08 -0.16 0.00 0.00 0.00 0.00 17.79 18.62 3idf h ALA 29 CO 0.99 0.76 0.42 -0.25 0.00 0.00 0.00 179.25 181.17 3idf n ASP 30 N -3.85 6.52 -3.72 0.00 8.00 -1.26 -4.86 116.55 117.39 3idf n ASP 30 Ca -0.03 -3.16 -0.12 0.00 0.71 0.00 0.00 54.79 52.19 3idf n ASP 30 Cb 0.66 -1.14 -0.12 0.00 -0.02 0.00 0.00 41.12 40.50 3idf n ASP 30 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3idf s THR 32 N 1.20 2.29 -0.09 0.00 -4.23 -0.29 -4.93 115.64 109.59 3idf s THR 32 Ca -0.08 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.46 3idf s THR 32 Cb -0.09 -2.08 0.00 0.00 1.34 0.00 0.00 72.50 71.67 3idf s THR 32 CO -0.09 -0.12 -0.20 -0.22 -0.54 0.00 0.00 174.62 173.45 3idf s LEU 33 N -2.63 1.92 -0.15 4.79 2.96 -1.26 -1.02 118.68 123.29 3idf s LEU 33 Ca 0.20 -0.46 0.02 0.00 -0.22 0.00 0.00 54.13 53.66 3idf s LEU 33 Cb -0.08 -1.19 0.01 0.00 0.50 0.00 0.00 46.19 45.43 3idf s LEU 33 CO 0.09 0.11 -0.20 -0.89 -1.32 0.00 0.00 176.35 174.15 3idf s THR 34 N 0.45 2.21 -0.17 3.68 2.01 0.49 0.02 115.64 124.33 3idf s THR 34 Ca -0.17 -0.92 -0.18 0.00 0.31 0.00 0.00 61.69 60.73 3idf s THR 34 Cb -0.17 -1.90 -0.04 0.00 0.01 0.00 0.00 72.50 70.40 3idf s THR 34 CO 0.07 0.54 0.47 -0.76 -0.69 0.00 0.00 174.62 174.25 3idf s LEU 35 N 0.89 4.19 -0.08 4.42 1.43 0.54 -0.35 118.68 129.73 3idf s LEU 35 Ca -0.05 0.68 0.03 0.00 -1.03 0.00 0.00 54.13 53.76 3idf s LEU 35 Cb -0.15 -2.65 -0.02 0.00 0.03 0.00 0.00 46.19 43.41 3idf s LEU 35 CO -0.03 -0.09 -0.18 -0.51 0.23 0.00 0.00 176.35 175.77 3idf s ILE 36 N 1.20 2.65 -0.02 -0.59 2.07 -0.54 -0.49 121.20 125.48 3idf s ILE 36 Ca 0.23 -0.84 0.02 0.00 -1.41 0.00 0.00 60.65 58.65 3idf s ILE 36 Cb -0.15 -2.04 0.00 0.00 0.13 0.00 0.00 42.46 40.40 3idf s ILE 36 CO 0.09 0.56 -0.08 -2.28 -1.91 0.00 0.00 174.94 171.33 3idf s HIS 37 N -0.13 0.81 -0.20 3.50 5.65 -0.75 -2.47 115.29 121.70 3idf s HIS 37 Ca -0.03 -0.19 -0.03 0.00 0.25 0.00 0.00 55.06 55.07 3idf s HIS 37 Cb -0.14 -0.58 -0.01 0.00 -1.18 0.00 0.00 32.58 30.68 3idf s HIS 37 CO 0.04 -0.08 -0.07 0.08 -0.65 0.00 0.00 174.74 174.06 3idf s VAL 38 N 0.14 3.26 -0.17 0.89 1.01 -1.26 -1.35 120.40 122.92 3idf s VAL 38 Ca -0.02 -0.54 -0.29 0.00 0.00 0.00 0.00 61.98 61.13 3idf s VAL 38 Cb -0.07 -2.46 -0.02 0.00 0.00 0.00 0.00 36.38 33.83 3idf s VAL 38 CO 0.00 0.45 1.36 -0.54 0.00 0.00 0.00 175.10 176.37 3idf s LYS 39 N 1.21 4.15 0.00 2.72 1.02 0.46 -4.81 119.74 124.49 3idf s LYS 39 Ca 0.02 1.70 0.00 0.00 0.02 0.00 0.00 55.97 57.71 3idf s LYS 39 Cb -0.14 -3.84 0.00 0.00 -0.52 0.00 0.00 37.83 33.33 3idf s LYS 39 CO -0.02 -0.83 0.00 -2.30 -0.92 0.00 0.00 175.35 171.28 3idf n PRO 40 N 6.87 0.00 -3.15 -1.68 -0.02 -1.26 -1.63 135.00 134.13 3idf n PRO 40 Ca 0.15 0.00 0.05 0.00 -2.02 0.00 0.00 63.50 61.68 3idf n PRO 40 Cb 0.45 0.00 -0.01 0.00 -0.02 0.00 0.00 33.50 33.92 3idf n PRO 40 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3idf s LEU 44 N 0.00 -0.68 -0.04 2.45 1.43 -1.26 -4.57 118.68 116.01 3idf s LEU 44 Ca 0.00 0.27 -0.02 0.00 -1.03 0.00 0.00 54.13 53.35 3idf s LEU 44 Cb 0.00 1.51 0.03 0.00 0.03 0.00 0.00 46.19 47.76 3idf s LEU 44 CO 0.00 -0.13 0.06 -0.47 0.23 0.00 0.00 176.35 176.04 3idf s TYR 45 N 2.93 0.03 0.00 0.29 5.04 -1.26 -4.94 117.35 119.44 3idf s TYR 45 Ca 0.11 0.26 0.00 0.00 -2.44 0.00 0.00 57.07 55.00 3idf s TYR 45 Cb -0.08 -0.41 0.00 0.00 0.35 0.00 0.00 41.96 41.82 3idf s TYR 45 CO -0.17 -0.17 0.00 0.41 -1.34 0.00 0.00 175.55 174.27 3idf n GLY 46 N 5.03 2.44 0.23 8.97 0.00 -1.26 -4.55 105.19 116.05 3idf n GLY 46 Ca -0.09 -1.72 -0.03 0.00 0.00 0.00 0.00 46.02 44.18 3idf n GLY 46 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3idf h GLU 47 N 0.00 0.57 -0.26 1.61 4.81 -1.99 -1.82 114.58 117.51 3idf h GLU 47 Ca 0.00 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 3idf h GLU 47 Cb 0.00 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.24 3idf h GLU 47 CO 0.00 0.38 0.17 0.00 -0.73 0.00 0.00 179.01 178.83 3idf h ALA 48 N 1.30 0.33 -0.68 2.92 0.00 -2.00 -1.26 119.26 119.86 3idf h ALA 48 Ca 0.25 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.10 3idf h ALA 48 Cb 0.13 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 3idf h ALA 48 CO -0.16 -0.20 0.25 0.28 0.00 0.00 0.00 179.25 179.42 3idf h VAL 49 N 0.35 1.25 -0.63 0.00 2.07 -1.77 -2.93 116.25 114.59 3idf h VAL 49 Ca 0.09 -0.80 -0.05 0.00 0.82 0.00 0.00 66.70 66.76 3idf h VAL 49 Cb -0.04 0.50 -0.03 0.00 -1.52 0.00 0.00 31.29 30.20 3idf h VAL 49 CO -0.02 0.31 0.19 -0.07 0.02 0.00 0.00 177.57 178.01 3idf h LEU 50 N 0.97 0.90 -0.77 2.57 3.38 -1.03 -2.67 115.31 118.66 3idf h LEU 50 Ca 0.22 -0.16 -0.13 0.00 0.09 0.00 0.00 57.88 57.91 3idf h LEU 50 Cb 0.24 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 3idf h LEU 50 CO -0.01 0.85 -0.61 0.00 0.09 0.00 0.00 178.44 178.76 3idf h ALA 51 N 1.27 0.99 -0.00 1.53 0.00 -1.19 -3.01 119.26 118.84 3idf h ALA 51 Ca 0.21 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 54.56 3idf h ALA 51 Cb 0.28 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3idf h ALA 51 CO -0.01 0.76 -0.10 0.00 0.00 0.00 0.00 179.25 179.90 3idf n ALA 52 N -2.43 2.60 -0.34 0.00 0.00 -1.09 -4.52 120.51 114.74 3idf n ALA 52 Ca -0.01 -0.16 -0.04 0.00 0.00 0.00 0.00 53.44 53.22 3idf n ALA 52 Cb 0.61 -1.40 -0.02 0.00 0.00 0.00 0.00 19.45 18.64 3idf n ALA 52 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3idf n TYR 53 N -1.44 -0.14 -0.15 0.00 0.53 -1.03 -1.06 117.16 113.87 3idf n TYR 53 Ca 0.08 1.05 -0.09 0.00 -1.02 0.00 0.00 57.90 57.92 3idf n TYR 53 Cb 0.33 -0.71 -0.00 0.00 -1.03 0.00 0.00 39.34 37.92 3idf n TYR 53 CO 0.00 0.00 0.00 -0.44 -1.02 0.00 0.00 176.86 175.40 3idf h ASP 54 N 0.00 0.66 -0.66 7.72 3.32 -1.85 -0.54 116.42 125.08 3idf h ASP 54 Ca 0.23 -0.23 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 3idf h ASP 54 Cb 0.44 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.78 3idf h ASP 54 CO -0.82 0.72 0.40 -0.33 -1.72 0.00 0.00 179.24 177.49 3idf h GLU 55 N 0.58 0.89 -0.46 3.56 3.07 -1.58 -1.57 114.58 119.08 3idf h GLU 55 Ca 0.14 -0.08 -0.04 0.00 -0.50 0.00 0.00 59.36 58.88 3idf h GLU 55 Cb 0.31 -0.19 -0.02 0.00 -0.84 0.00 0.00 28.75 28.01 3idf h GLU 55 CO 0.00 0.63 0.14 0.82 -1.40 0.00 0.00 179.01 179.21 3idf h ILE 56 N 0.90 1.22 -0.74 3.13 2.04 -0.86 -0.27 117.51 122.94 3idf h ILE 56 Ca 0.24 -0.75 -0.04 0.00 1.00 0.00 0.00 64.86 65.30 3idf h ILE 56 Cb -0.03 0.85 -0.03 0.00 -0.74 0.00 0.00 36.82 36.86 3idf h ILE 56 CO -0.05 0.27 0.29 -0.33 0.00 0.00 0.00 178.15 178.33 3idf h GLU 57 N 0.61 1.10 -0.28 2.37 5.08 -0.97 -1.03 114.58 121.46 3idf h GLU 57 Ca 0.15 -0.20 -0.05 0.00 -1.00 0.00 0.00 59.36 58.26 3idf h GLU 57 Cb 0.27 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 3idf h GLU 57 CO -0.00 0.90 -0.02 1.98 -1.00 0.00 0.00 179.01 180.87 3idf h MET 58 N 1.07 0.51 -0.54 2.33 -1.53 -1.17 -2.03 114.93 113.58 3idf h MET 58 Ca 0.25 -0.17 0.00 0.00 -3.44 0.00 0.00 59.70 56.34 3idf h MET 58 Cb 0.22 -0.04 -0.03 0.00 -0.55 0.00 0.00 31.60 31.20 3idf h MET 58 CO -0.02 0.67 0.34 0.87 0.14 0.00 0.00 176.91 178.91 3idf h LYS 59 N 0.28 0.72 -0.50 0.39 6.56 -0.73 -1.59 116.57 121.70 3idf h LYS 59 Ca 0.08 -0.06 -0.08 0.00 -1.06 0.00 0.00 60.65 59.53 3idf h LYS 59 Cb 0.46 -0.16 -0.02 0.00 -0.57 0.00 0.00 32.23 31.94 3idf h LYS 59 CO 0.02 0.50 0.00 0.93 -2.06 0.00 0.00 179.45 178.84 3idf h GLU 60 N 0.73 0.89 -0.59 3.15 3.07 -1.19 0.51 114.58 121.15 3idf h GLU 60 Ca 0.20 -0.28 0.01 0.00 -0.50 0.00 0.00 59.36 58.78 3idf h GLU 60 Cb -0.05 -0.08 -0.03 0.00 -0.84 0.00 0.00 28.75 27.75 3idf h GLU 60 CO -0.04 0.92 0.39 0.93 -1.40 0.00 0.00 179.01 179.81 3idf h GLU 61 N 0.75 0.78 -0.34 2.33 3.07 -1.21 0.19 114.58 120.15 3idf h GLU 61 Ca 0.14 -0.05 -0.02 0.00 -0.50 0.00 0.00 59.36 58.94 3idf h GLU 61 Cb 0.51 -0.18 -0.01 0.00 -0.84 0.00 0.00 28.75 28.23 3idf h GLU 61 CO 0.02 0.51 0.13 1.05 -1.40 0.00 0.00 179.01 179.33 3idf h GLU 62 N 0.80 0.51 -0.68 2.33 4.11 -1.06 -1.68 114.58 118.92 3idf h GLU 62 Ca 0.22 -0.10 0.00 0.00 0.07 0.00 0.00 59.36 59.55 3idf h GLU 62 Cb -0.09 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.04 3idf h GLU 62 CO -0.05 0.51 0.43 1.57 0.07 0.00 0.00 179.01 181.54 3idf h LYS 63 N 0.40 0.91 -0.57 1.06 2.10 -0.69 -1.81 116.57 117.97 3idf h LYS 63 Ca 0.11 -0.07 -0.01 0.00 -2.00 0.00 0.00 60.65 58.69 3idf h LYS 63 Cb 0.20 -0.20 -0.03 0.00 -0.90 0.00 0.00 32.23 31.30 3idf h LYS 63 CO -0.01 0.63 0.33 0.00 -2.00 0.00 0.00 179.45 178.40 3idf h ALA 64 N 1.23 0.72 -0.21 0.07 0.00 -0.81 -0.66 119.26 119.60 3idf h ALA 64 Ca 0.25 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 3idf h ALA 64 Cb -0.06 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 3idf h ALA 64 CO -0.05 0.22 0.07 0.87 0.00 0.00 0.00 179.25 180.37 3idf h LYS 65 N 0.76 0.33 -0.38 0.00 1.57 -1.11 -2.26 116.57 115.47 3idf h LYS 65 Ca 0.20 -0.07 -0.04 0.00 -1.87 0.00 0.00 60.65 58.88 3idf h LYS 65 Cb 0.01 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.26 3idf h LYS 65 CO -0.04 0.41 0.09 -0.07 -0.57 0.00 0.00 179.45 179.27 3idf h LEU 66 N 0.18 0.58 -0.45 2.94 4.07 -1.18 -0.86 115.31 120.60 3idf h LEU 66 Ca 0.07 -0.24 -0.09 0.00 0.08 0.00 0.00 57.88 57.71 3idf h LEU 66 Cb 0.21 -0.15 -0.01 0.00 1.08 0.00 0.00 40.66 41.78 3idf h LEU 66 CO -0.00 0.67 -0.06 0.25 -1.08 0.00 0.00 178.44 178.21 3idf h LEU 67 N 0.47 0.82 -0.52 1.67 5.85 -1.16 -0.70 115.31 121.74 3idf h LEU 67 Ca 0.12 -0.34 -0.15 0.00 0.84 0.00 0.00 57.88 58.35 3idf h LEU 67 Cb 0.31 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.11 3idf h LEU 67 CO 0.00 0.97 -0.39 0.71 -0.34 0.00 0.00 178.44 179.39 3idf h THR 68 N 0.66 1.28 -0.71 1.05 1.35 -1.35 -2.01 112.91 113.19 3idf h THR 68 Ca 0.12 -1.56 -0.06 0.00 -0.55 0.00 0.00 66.41 64.36 3idf h THR 68 Cb 0.58 1.45 -0.03 0.00 -1.73 0.00 0.00 68.15 68.42 3idf h THR 68 CO 0.03 0.51 0.22 -0.61 -0.25 0.00 0.00 175.52 175.42 3idf h GLN 69 N 0.64 1.11 -0.25 4.72 5.75 -1.11 0.14 115.11 126.11 3idf h GLN 69 Ca 0.05 -0.24 -0.01 0.00 -0.15 0.00 0.00 58.65 58.30 3idf h GLN 69 Cb 0.94 -0.16 -0.01 0.00 1.07 0.00 0.00 27.48 29.32 3idf h GLN 69 CO 0.09 0.96 0.12 -0.22 -2.65 0.00 0.00 178.83 177.12 3idf h LYS 70 N 1.05 0.36 -0.21 1.69 3.64 -0.88 0.74 116.57 122.96 3idf h LYS 70 Ca 0.23 -0.05 -0.13 0.00 -1.27 0.00 0.00 60.65 59.42 3idf h LYS 70 Cb 0.31 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.06 3idf h LYS 70 CO -0.01 0.37 -0.43 0.74 -2.27 0.00 0.00 179.45 177.86 3idf h PHE 71 N 0.27 0.60 -0.32 1.91 -1.00 -1.31 -2.38 116.94 114.71 3idf h PHE 71 Ca 0.09 -0.18 -0.02 0.00 2.81 0.00 0.00 57.97 60.67 3idf h PHE 71 Cb 0.13 -0.13 -0.01 0.00 3.61 0.00 0.00 35.95 39.54 3idf h PHE 71 CO -0.02 0.85 0.13 1.03 -1.61 0.00 0.00 178.31 178.68 3idf h SER 72 N 0.41 0.45 -0.92 2.17 0.87 -0.45 -2.66 113.55 113.42 3idf h SER 72 Ca 0.03 -0.17 -0.01 0.00 -1.23 0.00 0.00 61.79 60.42 3idf h SER 72 Cb 0.92 -0.12 -0.04 0.00 -0.44 0.00 0.00 62.40 62.72 3idf h SER 72 CO 0.08 0.49 0.54 0.74 -0.53 0.00 0.00 176.83 178.15 3idf h THR 73 N 0.37 1.26 -0.21 2.23 2.02 -0.83 0.71 112.91 118.46 3idf h THR 73 Ca 0.11 -0.59 0.04 0.00 0.77 0.00 0.00 66.41 66.75 3idf h THR 73 Cb 0.18 -0.03 -0.04 0.00 -1.74 0.00 0.00 68.15 66.52 3idf h THR 73 CO -0.01 0.28 -0.08 0.15 0.37 0.00 0.00 175.52 176.23 3idf h PHE 74 N 1.28 -0.18 -0.18 3.16 3.57 -1.24 -2.59 116.94 120.76 3idf h PHE 74 Ca 0.33 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.75 3idf h PHE 74 Cb -0.03 0.11 -0.00 0.00 2.79 0.00 0.00 35.95 38.82 3idf h PHE 74 CO 0.01 -0.13 -0.28 0.74 -2.23 0.00 0.00 178.31 176.42 3idf h PHE 75 N -0.04 0.63 0.00 0.41 0.04 -1.12 -3.34 116.94 113.53 3idf h PHE 75 Ca 0.11 -0.21 -0.05 0.00 2.80 0.00 0.00 57.97 60.61 3idf h PHE 75 Cb 0.20 -0.12 -0.01 0.00 2.20 0.00 0.00 35.95 38.22 3idf h PHE 75 CO -0.24 0.92 -0.26 1.79 -0.60 0.00 0.00 178.31 179.92 3idf h THR 76 N 0.16 0.82 0.00 -1.55 1.35 -0.39 -0.82 112.91 112.49 3idf h THR 76 Ca 0.02 -1.03 0.00 0.00 -0.55 0.00 0.00 66.41 64.85 3idf h THR 76 Cb 0.86 1.62 0.00 0.00 -1.73 0.00 0.00 68.15 68.90 3idf h THR 76 CO 0.06 0.25 0.00 -0.62 -0.25 0.00 0.00 175.52 174.97 3idf n GLU 77 N -3.71 0.62 -0.39 4.72 1.02 -0.99 -3.67 120.64 118.24 3idf n GLU 77 Ca -0.01 0.00 0.06 0.00 -0.02 0.00 0.00 57.16 57.19 3idf n GLU 77 Cb 0.37 -1.50 0.09 0.00 -0.02 0.00 0.00 31.44 30.38 3idf n GLU 77 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3idf n LYS 78 N -1.18 0.81 -0.38 3.49 5.02 -0.36 -5.02 118.16 120.54 3idf n LYS 78 Ca 0.17 -2.13 0.00 0.00 -2.02 0.00 0.00 58.31 54.34 3idf n LYS 78 Cb 0.19 -1.07 0.00 0.00 -0.02 0.00 0.00 35.03 34.13 3idf n LYS 78 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3idf n GLY 79 N -0.78 0.79 3.22 0.72 0.00 -1.09 -5.04 105.19 103.01 3idf n GLY 79 Ca 0.10 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.79 3idf n GLY 79 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3idf s ILE 80 N -2.13 2.44 -0.66 -0.61 1.01 -0.94 -5.03 121.20 115.28 3idf s ILE 80 Ca 0.00 -0.84 -0.13 0.00 0.00 0.00 0.00 60.65 59.68 3idf s ILE 80 Cb 0.00 -2.02 0.17 0.00 0.01 0.00 0.00 42.46 40.62 3idf s ILE 80 CO 0.00 0.52 0.59 0.20 0.00 0.00 0.00 174.94 176.25 3idf s ASN 81 N 0.93 6.29 0.67 3.58 0.01 -1.26 -2.22 114.94 122.94 3idf s ASN 81 Ca -0.04 -2.25 -0.11 0.00 -0.71 0.00 0.00 52.86 49.75 3idf s ASN 81 Cb -0.15 -2.16 -0.01 0.00 0.41 0.00 0.00 41.25 39.34 3idf s ASN 81 CO -0.03 -0.68 1.07 -2.16 -1.51 0.00 0.00 177.10 173.79 3idf s PRO 82 N 0.86 3.16 0.36 -0.60 0.04 -1.26 -4.77 135.00 132.79 3idf s PRO 82 Ca 0.10 0.59 -0.03 0.00 0.04 0.00 0.00 61.00 61.70 3idf s PRO 82 Cb -0.21 -2.04 -0.04 0.00 0.04 0.00 0.00 34.50 32.25 3idf s PRO 82 CO -0.03 -0.85 0.61 -0.06 0.04 0.00 0.00 177.00 176.72 3idf s PHE 83 N -3.28 3.51 -0.05 0.56 0.08 0.10 -4.98 117.98 113.93 3idf s PHE 83 Ca 0.57 0.58 0.04 0.00 0.12 0.00 0.00 56.93 58.24 3idf s PHE 83 Cb -0.11 -2.08 0.00 0.00 -0.57 0.00 0.00 43.02 40.26 3idf s PHE 83 CO 0.53 0.04 -0.16 0.08 -0.10 0.00 0.00 175.22 175.61 3idf s VAL 84 N -2.33 1.33 -0.17 -0.44 1.01 -1.26 -0.34 120.40 118.20 3idf s VAL 84 Ca 0.43 -0.65 0.00 0.00 0.00 0.00 0.00 61.98 61.77 3idf s VAL 84 Cb -0.10 -1.16 0.04 0.00 0.00 0.00 0.00 36.38 35.16 3idf s VAL 84 CO 0.36 0.39 -0.08 -0.69 0.00 0.00 0.00 175.10 175.08 3idf s VAL 85 N 0.17 1.33 -0.27 2.92 1.01 0.36 -4.93 120.40 120.99 3idf s VAL 85 Ca -0.06 -0.74 -0.08 0.00 0.00 0.00 0.00 61.98 61.10 3idf s VAL 85 Cb -0.12 -1.44 -0.02 0.00 0.00 0.00 0.00 36.38 34.81 3idf s VAL 85 CO 0.02 0.19 0.09 -0.63 0.00 0.00 0.00 175.10 174.78 3idf s ILE 86 N 1.54 4.31 0.47 2.22 1.01 -1.26 -1.81 121.20 127.69 3idf s ILE 86 Ca 0.01 -0.34 0.06 0.00 0.00 0.00 0.00 60.65 60.38 3idf s ILE 86 Cb -0.15 -3.10 -0.01 0.00 0.01 0.00 0.00 42.46 39.21 3idf s ILE 86 CO -0.08 0.22 0.29 -0.54 0.00 0.00 0.00 174.94 174.83 3idf s LYS 87 N 1.59 2.29 0.00 2.79 -0.14 -0.46 -5.00 119.74 120.83 3idf s LYS 87 Ca 0.05 -1.89 0.01 0.00 -1.36 0.00 0.00 55.97 52.78 3idf s LYS 87 Cb -0.16 -2.07 -0.01 0.00 -1.68 0.00 0.00 37.83 33.91 3idf s LYS 87 CO 0.04 -0.34 -0.04 -1.83 -0.76 0.00 0.00 175.35 172.42 3idf s GLU 88 N -4.09 0.29 0.00 1.68 -1.05 -1.26 -0.41 118.70 113.86 3idf s GLU 88 Ca 0.37 -0.21 0.00 0.00 -0.15 0.00 0.00 54.97 54.98 3idf s GLU 88 Cb -0.00 -0.23 0.00 0.00 -0.44 0.00 0.00 34.13 33.46 3idf s GLU 88 CO 0.22 0.06 0.00 0.41 0.95 0.00 0.00 175.26 176.90 3idf n GLY 89 N 2.76 0.30 3.65 -3.83 0.00 -0.65 -4.94 105.19 102.48 3idf n GLY 89 Ca -0.14 -1.52 -0.43 0.00 0.00 0.00 0.00 46.02 43.93 3idf n GLY 89 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3idf s GLU 90 N -2.00 4.12 0.19 1.61 -6.30 -1.26 -3.99 118.70 111.06 3idf s GLU 90 Ca 0.00 1.56 -0.18 0.00 -2.50 0.00 0.00 54.97 53.85 3idf s GLU 90 Cb 0.00 -3.82 0.15 0.00 0.00 0.00 0.00 34.13 30.46 3idf s GLU 90 CO 0.00 -0.86 1.62 -1.35 0.02 0.00 0.00 175.26 174.70 3idf h PRO 91 N 8.67 -0.09 -0.31 4.30 0.11 -1.89 -1.81 132.00 140.98 3idf h PRO 91 Ca -0.27 0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.83 3idf h PRO 91 Cb 1.11 0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 3idf h PRO 91 CO 0.99 -0.06 0.11 0.28 -0.21 0.00 0.00 178.00 179.11 3idf h VAL 92 N -0.10 1.19 -0.81 3.15 2.07 -1.91 -1.43 116.25 118.41 3idf h VAL 92 Ca 0.24 -0.61 -0.01 0.00 0.82 0.00 0.00 66.70 67.14 3idf h VAL 92 Cb 0.46 1.01 -0.04 0.00 -1.52 0.00 0.00 31.29 31.21 3idf h VAL 92 CO -0.57 0.21 0.49 -0.33 0.02 0.00 0.00 177.57 177.39 3idf h GLU 93 N 0.35 1.11 -0.37 1.57 5.08 -1.83 -2.00 114.58 118.48 3idf h GLU 93 Ca 0.10 -0.10 -0.14 0.00 -1.00 0.00 0.00 59.36 58.22 3idf h GLU 93 Cb 0.22 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 3idf h GLU 93 CO -0.01 0.78 -0.34 0.52 -1.00 0.00 0.00 179.01 178.97 3idf h MET 94 N 1.12 0.83 0.10 2.33 2.86 -1.12 -1.05 114.93 120.00 3idf h MET 94 Ca 0.29 -0.41 -0.00 0.00 -2.06 0.00 0.00 59.70 57.52 3idf h MET 94 Cb -0.04 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.62 3idf h MET 94 CO -0.05 1.04 -0.05 0.28 1.06 0.00 0.00 176.91 179.19 3idf h VAL 95 N 0.70 0.93 -0.79 -2.22 2.07 -1.03 -0.67 116.25 115.24 3idf h VAL 95 Ca 0.07 -0.10 0.03 0.00 0.82 0.00 0.00 66.70 67.52 3idf h VAL 95 Cb 0.90 0.99 -0.05 0.00 -1.52 0.00 0.00 31.29 31.62 3idf h VAL 95 CO 0.08 0.02 0.50 -0.07 0.02 0.00 0.00 177.57 178.13 3idf h LEU 96 N -0.18 0.84 -0.04 2.57 3.38 -1.30 -0.63 115.31 119.95 3idf h LEU 96 Ca -0.01 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 3idf h LEU 96 Cb 0.14 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 3idf h LEU 96 CO 0.02 0.58 0.02 -0.08 0.09 0.00 0.00 178.44 179.08 3idf h GLU 97 N 0.99 0.05 -1.00 1.13 4.57 -1.09 -2.98 114.58 116.25 3idf h GLU 97 Ca 0.31 -0.01 0.07 0.00 -1.18 0.00 0.00 59.36 58.56 3idf h GLU 97 Cb -0.01 -0.01 -0.07 0.00 -0.16 0.00 0.00 28.75 28.50 3idf h GLU 97 CO -0.10 0.10 0.64 1.49 -1.18 0.00 0.00 179.01 179.96 3idf h GLU 98 N -0.01 1.12 0.00 1.92 4.57 -0.84 -2.76 114.58 118.58 3idf h GLU 98 Ca 0.01 -0.07 0.00 0.00 -1.18 0.00 0.00 59.36 58.13 3idf h GLU 98 Cb 0.06 -0.25 0.00 0.00 -0.16 0.00 0.00 28.75 28.40 3idf h GLU 98 CO -0.00 0.74 0.19 0.00 -1.18 0.00 0.00 179.01 178.76 3idf h ALA 99 N 1.47 1.19 -0.35 2.92 0.00 -0.95 -2.51 119.26 121.03 3idf h ALA 99 Ca 0.44 0.00 0.10 0.00 0.00 0.00 0.00 54.91 55.45 3idf h ALA 99 Cb 0.20 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3idf h ALA 99 CO -0.18 -0.19 0.27 0.87 0.00 0.00 0.00 179.25 180.02 3idf h LYS 100 N 0.00 0.00 -0.67 0.00 1.57 -1.56 -2.04 116.57 113.87 3idf h LYS 100 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3idf h LYS 100 Cb 0.38 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.69 3idf h LYS 100 CO 0.00 0.00 0.00 -0.25 -0.57 0.00 0.00 179.45 178.63 3idf n ASP 101 N -4.27 4.77 -4.51 0.86 8.00 -0.94 -4.96 116.55 115.50 3idf n ASP 101 Ca 0.05 -2.43 -0.28 0.00 0.71 0.00 0.00 54.79 52.84 3idf n ASP 101 Cb 0.44 -0.58 -0.09 0.00 -0.02 0.00 0.00 41.12 40.87 3idf n ASP 101 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3idf s TYR 102 N -1.82 1.96 -0.06 1.24 2.02 -0.77 -4.98 117.35 114.95 3idf s TYR 102 Ca 0.52 -1.01 0.13 0.00 -0.37 0.00 0.00 57.07 56.34 3idf s TYR 102 Cb 0.33 -1.46 -0.20 0.00 -0.40 0.00 0.00 41.96 40.23 3idf s TYR 102 CO 0.25 0.08 0.21 0.09 -1.57 0.00 0.00 175.55 174.62 3idf n ASN 103 N -1.15 1.81 -3.74 2.29 4.13 0.41 -4.93 115.26 114.07 3idf n ASN 103 Ca -0.11 0.00 -0.12 0.00 1.68 0.00 0.00 54.58 56.03 3idf n ASN 103 Cb 0.66 1.35 -0.11 0.00 -1.54 0.00 0.00 39.78 40.14 3idf n ASN 103 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 3idf s LEU 104 N -4.31 0.51 -0.20 3.41 2.96 -1.09 -4.34 118.68 115.61 3idf s LEU 104 Ca -0.06 0.68 -0.06 0.00 -0.22 0.00 0.00 54.13 54.48 3idf s LEU 104 Cb 0.07 1.10 -0.03 0.00 0.50 0.00 0.00 46.19 47.83 3idf s LEU 104 CO 0.56 -0.14 0.03 -0.22 -1.32 0.00 0.00 176.35 175.26 3idf s LEU 105 N 0.64 3.46 -0.13 -0.68 2.96 -0.64 -0.77 118.68 123.51 3idf s LEU 105 Ca -0.04 -0.11 -0.01 0.00 -0.22 0.00 0.00 54.13 53.75 3idf s LEU 105 Cb -0.05 -1.88 -0.02 0.00 0.50 0.00 0.00 46.19 44.74 3idf s LEU 105 CO -0.04 0.08 -0.10 -0.63 -1.32 0.00 0.00 176.35 174.34 3idf s ILE 106 N 0.89 3.33 0.06 6.68 1.09 0.53 -0.34 121.20 133.43 3idf s ILE 106 Ca 0.02 -0.57 0.05 0.00 -1.10 0.00 0.00 60.65 59.06 3idf s ILE 106 Cb -0.14 -2.41 -0.03 0.00 -1.06 0.00 0.00 42.46 38.82 3idf s ILE 106 CO 0.02 0.52 -0.15 0.27 -0.10 0.00 0.00 174.94 175.51 3idf s ILE 107 N 0.22 1.18 -0.21 2.92 -4.36 -0.39 -1.80 121.20 118.75 3idf s ILE 107 Ca -0.06 -1.22 -0.15 0.00 -0.26 0.00 0.00 60.65 58.96 3idf s ILE 107 Cb -0.15 -1.10 -0.04 0.00 1.25 0.00 0.00 42.46 42.42 3idf s ILE 107 CO 0.04 -0.12 0.34 -0.83 0.24 0.00 0.00 174.94 174.61 3idf s GLY 108 N -1.53 2.08 -0.21 6.27 0.00 -1.26 -1.52 107.32 111.15 3idf s GLY 108 Ca 0.00 -0.60 -0.08 0.00 0.00 0.00 0.00 44.72 44.05 3idf s GLY 108 CO 0.02 0.70 0.07 -0.45 0.00 0.00 0.00 173.10 173.44 3idf s SER 109 N 1.00 5.50 0.21 1.64 0.15 0.68 -4.81 113.70 118.06 3idf s SER 109 Ca 0.16 -0.01 -0.22 0.00 0.70 0.00 0.00 55.95 56.58 3idf s SER 109 Cb -0.14 -1.96 0.05 0.00 -1.71 0.00 0.00 66.02 62.26 3idf s SER 109 CO 0.07 0.10 0.67 -0.94 1.20 0.00 0.00 173.24 174.34 3idf s SER 110 N 0.80 -0.42 0.35 5.45 1.04 -1.26 -4.40 113.70 115.26 3idf s SER 110 Ca 0.04 -0.28 0.06 0.00 0.48 0.00 0.00 55.95 56.25 3idf s SER 110 Cb -0.13 0.65 0.73 0.00 0.10 0.00 0.00 66.02 67.36 3idf s SER 110 CO 0.02 -1.13 1.91 1.05 0.98 0.00 0.00 173.24 176.08 3idf h GLU 111 N 2.00 0.76 -0.15 4.02 9.09 -1.99 -2.38 114.58 125.92 3idf h GLU 111 Ca -0.27 -0.05 0.00 0.00 0.05 0.00 0.00 59.36 59.10 3idf h GLU 111 Cb 1.28 -0.17 0.00 0.00 -1.65 0.00 0.00 28.75 28.21 3idf h GLU 111 CO 0.31 0.50 0.00 0.27 0.05 0.00 0.00 179.01 180.14 3idf n ASN 112 N -4.52 1.40 -4.77 3.06 6.94 -1.26 -4.79 115.26 111.32 3idf n ASN 112 Ca 0.14 -1.69 -0.40 0.00 -0.02 0.00 0.00 54.58 52.61 3idf n ASN 112 Cb 0.33 -0.10 0.01 0.00 -2.36 0.00 0.00 39.78 37.66 3idf n ASN 112 CO 0.00 0.00 0.00 -0.24 -1.03 0.00 0.00 177.26 175.99 3idf n SER 113 N 0.16 3.58 0.10 0.53 2.88 -0.90 -4.90 113.62 115.07 3idf n SER 113 Ca 0.15 1.17 0.20 0.00 -1.33 0.00 0.00 58.87 59.06 3idf n SER 113 Cb 0.28 -1.62 0.75 0.00 -0.75 0.00 0.00 64.21 62.88 3idf n SER 113 CO 0.00 0.00 0.00 2.19 -1.23 0.00 0.00 175.04 176.00 3idf h PHE 114 N 2.60 0.00 0.00 0.66 -5.15 -1.92 -0.38 116.94 112.75 3idf h PHE 114 Ca -0.51 0.00 -0.02 0.00 -0.20 0.00 0.00 57.97 57.24 3idf h PHE 114 Cb 1.26 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 37.42 3idf h PHE 114 CO 0.51 0.00 -0.10 -0.07 -2.00 0.00 0.00 178.31 176.65 3idf h LEU 115 N 0.00 0.00 -2.88 2.10 3.38 -1.93 -3.11 115.31 112.87 3idf h LEU 115 Ca 0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 3idf h LEU 115 Cb 0.91 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.66 3idf h LEU 115 CO -0.00 0.10 0.00 0.59 0.09 0.00 0.00 178.44 179.22 3idf n ASN 116 N -3.92 3.01 -4.73 -0.43 3.02 -0.16 -4.78 115.26 107.27 3idf n ASN 116 Ca -0.02 -2.02 -0.36 0.00 -0.03 0.00 0.00 54.58 52.15 3idf n ASN 116 Cb 0.19 -0.25 0.08 0.00 -0.61 0.00 0.00 39.78 39.18 3idf n ASN 116 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3idf s LYS 117 N -1.03 2.42 0.39 3.52 -0.14 -1.18 -4.88 119.74 118.84 3idf s LYS 117 Ca 0.25 1.98 0.12 0.00 -1.36 0.00 0.00 55.97 56.96 3idf s LYS 117 Cb 0.13 -1.84 0.92 0.00 -1.68 0.00 0.00 37.83 35.36 3idf s LYS 117 CO 0.17 -1.68 1.90 0.82 -0.76 0.00 0.00 175.35 175.80 3idf h ILE 118 N 0.30 0.83 -0.43 2.17 2.04 -1.94 -1.36 117.51 119.12 3idf h ILE 118 Ca -0.50 -0.20 0.00 0.00 1.00 0.00 0.00 64.86 65.16 3idf h ILE 118 Cb 1.33 0.21 0.00 0.00 -0.74 0.00 0.00 36.82 37.62 3idf h ILE 118 CO 0.52 0.10 0.00 0.49 0.00 0.00 0.00 178.15 179.26 3idf n PHE 119 N -4.52 0.57 -2.17 1.37 3.72 -1.26 -4.98 117.46 110.19 3idf n PHE 119 Ca 0.15 -0.34 -0.40 0.00 -0.05 0.00 0.00 57.45 56.81 3idf n PHE 119 Cb 0.47 -0.01 -0.02 0.00 -0.94 0.00 0.00 39.48 38.99 3idf n PHE 119 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3idf s ALA 120 N -1.20 3.35 0.71 4.37 0.00 -0.52 -5.02 121.76 123.46 3idf s ALA 120 Ca 0.35 1.16 -0.07 0.00 0.00 0.00 0.00 51.96 53.40 3idf s ALA 120 Cb 0.20 -3.44 0.07 0.00 0.00 0.00 0.00 23.12 19.94 3idf s ALA 120 CO 0.27 -0.62 1.02 -1.54 0.00 0.00 0.00 175.76 174.89 3idf s SER 121 N -0.73 4.74 -1.72 0.00 1.04 -1.26 -4.45 113.70 111.32 3idf s SER 121 Ca 0.52 0.41 0.00 0.00 0.48 0.00 0.00 55.95 57.37 3idf s SER 121 Cb -0.37 -1.03 0.00 0.00 0.10 0.00 0.00 66.02 64.72 3idf s SER 121 CO 0.48 -1.65 0.00 1.41 0.98 0.00 0.00 173.24 174.46 3idf n HIS 122 N -2.95 -0.82 0.28 5.02 8.25 -1.26 -4.86 115.22 118.88 3idf n HIS 122 Ca 0.09 0.00 0.16 0.00 -0.26 0.00 0.00 57.72 57.70 3idf n HIS 122 Cb 0.60 -3.55 0.79 0.00 1.12 0.00 0.00 29.99 28.95 3idf n HIS 122 CO 0.00 0.00 0.00 1.96 0.64 0.00 0.00 176.34 178.94 3idf h GLN 123 N 0.00 0.00 0.00 -0.41 4.20 -1.87 -0.63 115.11 116.41 3idf h GLN 123 Ca -0.43 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.26 3idf h GLN 123 Cb 1.30 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.08 3idf h GLN 123 CO 0.54 0.07 -1.57 -0.40 -0.67 0.00 0.00 178.83 176.80 3idf n ASP 124 N -3.36 0.39 -0.38 1.46 5.75 -1.26 -4.67 116.55 114.49 3idf n ASP 124 Ca -0.01 0.15 0.00 0.00 -0.01 0.00 0.00 54.79 54.92 3idf n ASP 124 Cb 0.24 1.25 0.00 0.00 -1.03 0.00 0.00 41.12 41.58 3idf n ASP 124 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 3idf n ASP 125 N -2.47 0.00 -0.17 -1.12 5.68 -1.09 -4.95 116.55 112.43 3idf n ASP 125 Ca -0.03 -1.72 -0.03 0.00 -0.50 0.00 0.00 54.79 52.50 3idf n ASP 125 Cb 0.59 -0.14 0.04 0.00 -1.14 0.00 0.00 41.12 40.46 3idf n ASP 125 CO 0.00 0.00 0.00 0.15 -1.33 0.00 0.00 177.20 176.02 3idf h PHE 126 N 0.00 -0.34 -0.42 2.11 3.57 -1.39 0.13 116.94 120.61 3idf h PHE 126 Ca 0.00 0.05 -0.14 0.00 3.53 0.00 0.00 57.97 61.41 3idf h PHE 126 Cb 1.29 0.23 -0.01 0.00 2.79 0.00 0.00 35.95 40.25 3idf h PHE 126 CO 0.06 -0.24 -0.28 0.82 -2.23 0.00 0.00 178.31 176.44 3idf h ILE 127 N -0.03 1.27 -0.47 1.41 2.04 -1.92 -1.28 117.51 118.54 3idf h ILE 127 Ca 0.25 -1.43 -0.05 0.00 1.00 0.00 0.00 64.86 64.62 3idf h ILE 127 Cb 0.40 1.24 -0.02 0.00 -0.74 0.00 0.00 36.82 37.70 3idf h ILE 127 CO -0.55 0.48 0.08 -0.61 0.00 0.00 0.00 178.15 177.55 3idf h GLN 128 N 0.77 0.72 0.00 2.37 4.15 -1.65 -2.93 115.11 118.54 3idf h GLN 128 Ca 0.09 -0.15 0.00 0.00 0.77 0.00 0.00 58.65 59.36 3idf h GLN 128 Cb 0.84 -0.11 0.00 0.00 0.21 0.00 0.00 27.48 28.42 3idf h GLN 128 CO 0.07 0.69 -0.49 0.87 -1.93 0.00 0.00 178.83 178.04 3idf h LYS 129 N 0.70 0.00 -6.69 1.69 1.79 -0.52 -3.46 116.57 110.07 3idf h LYS 129 Ca 0.15 0.00 -0.53 0.00 -2.18 0.00 0.00 60.65 58.10 3idf h LYS 129 Cb 0.32 0.00 0.06 0.00 -1.58 0.00 0.00 32.23 31.02 3idf h LYS 129 CO 0.00 0.00 0.87 0.00 -1.08 0.00 0.00 179.45 179.24 3idf s ALA 130 N -3.21 3.76 -1.17 3.86 0.00 -0.51 -4.89 121.76 119.61 3idf s ALA 130 Ca 0.05 1.43 0.28 0.00 0.00 0.00 0.00 51.96 53.72 3idf s ALA 130 Cb 0.11 -3.62 1.27 0.00 0.00 0.00 0.00 23.12 20.87 3idf s ALA 130 CO 0.71 -0.83 1.91 -0.35 0.00 0.00 0.00 175.76 177.20 3idf n PRO 131 N 3.19 0.16 -4.15 0.00 -0.04 -1.26 -4.87 135.00 128.02 3idf n PRO 131 Ca 0.11 0.03 -0.11 0.00 -0.04 0.00 0.00 63.50 63.49 3idf n PRO 131 Cb 0.38 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.25 3idf n PRO 131 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 3idf s ILE 132 N -2.83 0.03 0.67 0.52 -4.36 -1.26 -5.00 121.20 108.97 3idf s ILE 132 Ca 0.18 -1.86 -0.17 0.00 -0.26 0.00 0.00 60.65 58.54 3idf s ILE 132 Cb 0.18 -2.29 -0.01 0.00 1.25 0.00 0.00 42.46 41.59 3idf s ILE 132 CO 0.47 -0.15 1.09 -2.65 0.24 0.00 0.00 174.94 173.95 3idf n PRO 133 N -0.23 0.78 -4.80 0.37 -0.02 -1.26 -4.81 135.00 125.03 3idf n PRO 133 Ca -0.01 0.32 -0.27 0.00 -2.02 0.00 0.00 63.50 61.52 3idf n PRO 133 Cb 0.65 -2.33 -0.17 0.00 -0.02 0.00 0.00 33.50 31.63 3idf n PRO 133 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3idf s VAL 134 N -1.62 1.48 -0.24 -1.45 1.01 -1.26 -1.62 120.40 116.70 3idf s VAL 134 Ca 0.77 -0.68 -0.08 0.00 0.00 0.00 0.00 61.98 62.00 3idf s VAL 134 Cb -0.37 -1.31 -0.03 0.00 0.00 0.00 0.00 36.38 34.66 3idf s VAL 134 CO 0.46 0.43 0.09 -0.22 0.00 0.00 0.00 175.10 175.86 3idf s LEU 135 N 0.57 3.62 -0.24 3.92 2.96 0.54 -4.98 118.68 125.06 3idf s LEU 135 Ca -0.16 -0.11 -0.05 0.00 -0.22 0.00 0.00 54.13 53.59 3idf s LEU 135 Cb -0.17 -1.97 -0.01 0.00 0.50 0.00 0.00 46.19 44.55 3idf s LEU 135 CO 0.05 0.01 0.01 -0.63 -1.32 0.00 0.00 176.35 174.46 3idf s ILE 136 N 1.39 3.65 -0.12 6.68 1.09 -1.26 -1.27 121.20 131.36 3idf s ILE 136 Ca 0.06 -0.52 -0.01 0.00 -1.10 0.00 0.00 60.65 59.08 3idf s ILE 136 Cb -0.15 -2.74 -0.02 0.00 -1.06 0.00 0.00 42.46 38.49 3idf s ILE 136 CO 0.05 0.31 -0.09 -0.69 -0.10 0.00 0.00 174.94 174.42 3idf s VAL 137 N 1.50 3.44 -1.75 2.92 1.01 -0.58 -4.97 120.40 121.97 3idf s VAL 137 Ca 0.05 -0.54 0.14 0.00 0.00 0.00 0.00 61.98 61.63 3idf s VAL 137 Cb -0.15 -2.45 0.11 0.00 0.00 0.00 0.00 36.38 33.89 3idf s VAL 137 CO -0.01 0.53 0.94 0.29 0.00 0.00 0.00 175.10 176.86