#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 4.13 -0.36 0.03 -2.85 0.11 -4.94 119.74 115.86 3idf s LYS 2 Ca 0.00 0.35 -0.16 0.00 -1.00 0.00 0.00 55.97 55.15 3idf s LYS 2 Cb 0.00 -3.60 -0.00 0.00 -2.06 0.00 0.00 37.83 32.16 3idf s LYS 2 CO 0.00 -0.23 0.42 0.15 0.10 0.00 0.00 175.35 175.78 3idf s LYS 3 N 1.92 3.48 -0.11 1.78 1.02 -1.26 -1.48 119.74 125.09 3idf s LYS 3 Ca 0.22 -0.42 -0.15 0.00 0.02 0.00 0.00 55.97 55.64 3idf s LYS 3 Cb -0.15 -3.84 -0.05 0.00 -0.52 0.00 0.00 37.83 33.27 3idf s LYS 3 CO 0.09 -0.63 0.35 -0.51 -0.92 0.00 0.00 175.35 173.73 3idf s LEU 4 N 2.15 4.31 -0.17 3.17 1.43 0.85 -0.34 118.68 130.08 3idf s LEU 4 Ca 0.14 0.68 -0.01 0.00 -1.03 0.00 0.00 54.13 53.91 3idf s LEU 4 Cb -0.16 -2.48 -0.00 0.00 0.03 0.00 0.00 46.19 43.58 3idf s LEU 4 CO 0.13 0.15 -0.13 -0.22 0.23 0.00 0.00 176.35 176.50 3idf s LEU 5 N 0.07 2.56 -0.25 1.79 2.96 0.12 -0.58 118.68 125.34 3idf s LEU 5 Ca 0.20 -0.46 0.02 0.00 -0.22 0.00 0.00 54.13 53.68 3idf s LEU 5 Cb -0.14 -1.60 0.06 0.00 0.50 0.00 0.00 46.19 45.01 3idf s LEU 5 CO 0.07 0.06 -0.10 0.12 -1.32 0.00 0.00 176.35 175.19 3idf s PHE 6 N 0.96 3.00 -0.31 5.38 5.36 -0.16 -0.44 117.98 131.77 3idf s PHE 6 Ca -0.02 -2.13 -0.28 0.00 -0.96 0.00 0.00 56.93 53.53 3idf s PHE 6 Cb -0.15 -1.83 0.01 0.00 -0.34 0.00 0.00 43.02 40.72 3idf s PHE 6 CO -0.02 -0.85 1.04 0.00 -1.46 0.00 0.00 175.22 173.94 3idf s ALA 7 N 1.19 3.52 -0.09 11.12 0.00 -0.93 -1.19 121.76 135.39 3idf s ALA 7 Ca -0.07 -0.07 -0.07 0.00 0.00 0.00 0.00 51.96 51.74 3idf s ALA 7 Cb -0.19 -3.62 -0.04 0.00 0.00 0.00 0.00 23.12 19.26 3idf s ALA 7 CO -0.06 -1.41 0.18 0.96 0.00 0.00 0.00 175.76 175.43 3idf s ILE 8 N 3.53 5.43 0.27 0.00 -4.36 -0.59 -4.59 121.20 120.90 3idf s ILE 8 Ca 0.44 0.23 0.03 0.00 -0.26 0.00 0.00 60.65 61.09 3idf s ILE 8 Cb -0.13 -3.46 -0.04 0.00 1.25 0.00 0.00 42.46 40.08 3idf s ILE 8 CO 0.14 0.56 0.17 -1.81 0.24 0.00 0.00 174.94 174.25 3idf s ASP 9 N -1.19 1.03 -1.20 4.36 -0.00 -1.26 -4.70 116.67 113.71 3idf s ASP 9 Ca 0.18 -1.53 -0.05 0.00 -0.00 0.00 0.00 52.55 51.15 3idf s ASP 9 Cb -0.13 0.41 0.12 0.00 -0.00 0.00 0.00 42.92 43.33 3idf s ASP 9 CO 0.08 -0.90 2.41 -0.67 -0.00 0.00 0.00 175.17 176.09 3idf n ASP 10 N -0.81 7.83 -4.28 0.27 2.03 -1.26 -4.82 116.55 115.50 3idf n ASP 10 Ca 0.03 -3.17 -0.18 0.00 0.52 0.00 0.00 54.79 51.98 3idf n ASP 10 Cb 0.65 -1.34 -0.11 0.00 -0.72 0.00 0.00 41.12 39.60 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 -1.44 1.49 0.32 5.18 -4.23 -1.26 -5.03 115.64 110.67 3idf s THR 11 Ca 0.54 -1.89 0.07 0.00 -1.18 0.00 0.00 61.69 59.23 3idf s THR 11 Cb 0.21 -1.73 0.08 0.00 1.34 0.00 0.00 72.50 72.40 3idf s THR 11 CO -0.11 -0.47 1.77 -0.33 -0.54 0.00 0.00 174.62 174.94 3idf h GLU 12 N 3.20 0.28 -0.98 3.99 5.08 -1.98 -2.70 114.58 121.47 3idf h GLU 12 Ca -0.40 -0.10 0.05 0.00 -1.00 0.00 0.00 59.36 57.91 3idf h GLU 12 Cb 1.20 -0.02 -0.06 0.00 0.50 0.00 0.00 28.75 30.37 3idf h GLU 12 CO 0.54 0.55 0.64 0.00 -1.00 0.00 0.00 179.01 179.74 3idf h ALA 13 N 1.45 1.41 -0.54 3.43 0.00 -1.86 -0.57 119.26 122.58 3idf h ALA 13 Ca 0.04 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 3idf h ALA 13 Cb 0.65 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 3idf h ALA 13 CO 0.05 0.47 -0.11 0.00 0.00 0.00 0.00 179.25 179.66 3idf h GLU 15 N 0.91 0.74 -0.57 0.00 5.08 -1.02 -0.54 114.58 119.18 3idf h GLU 15 Ca 0.14 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.42 3idf h GLU 15 Cb 0.67 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.73 3idf h GLU 15 CO 0.05 0.49 0.23 0.00 -1.00 0.00 0.00 179.01 178.78 3idf h ARG 16 N 0.76 0.85 -0.68 2.33 3.08 -0.91 -2.62 114.38 117.19 3idf h ARG 16 Ca 0.29 -0.15 0.04 0.00 0.07 0.00 0.00 59.98 60.22 3idf h ARG 16 Cb 0.11 -0.14 -0.05 0.00 0.08 0.00 0.00 29.97 29.98 3idf h ARG 16 CO -0.15 0.73 0.41 0.00 -1.07 0.00 0.00 179.97 179.89 3idf h ALA 17 N 1.08 0.89 -0.49 0.04 0.00 -0.63 -0.75 119.26 119.41 3idf h ALA 17 Ca 0.19 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.10 3idf h ALA 17 Cb 0.19 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 3idf h ALA 17 CO -0.02 0.16 0.31 0.00 0.00 0.00 0.00 179.25 179.71 3idf h ALA 18 N 1.31 0.62 -0.47 0.00 0.00 -0.85 -0.13 119.26 119.74 3idf h ALA 18 Ca 0.28 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 55.06 3idf h ALA 18 Cb 0.06 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 3idf h ALA 18 CO -0.12 0.04 -0.14 0.37 0.00 0.00 0.00 179.25 179.40 3idf h GLN 19 N 0.63 0.89 -0.77 0.00 5.75 -1.31 -2.43 115.11 117.88 3idf h GLN 19 Ca 0.19 -0.33 -0.06 0.00 -0.15 0.00 0.00 58.65 58.30 3idf h GLN 19 Cb -0.04 -0.06 -0.03 0.00 1.07 0.00 0.00 27.48 28.42 3idf h GLN 19 CO -0.06 0.97 0.27 -0.92 -2.65 0.00 0.00 178.83 176.44 3idf h TYR 20 N 0.79 1.22 -0.42 3.99 3.20 -0.75 -0.15 116.97 124.85 3idf h TYR 20 Ca 0.12 -0.11 0.03 0.00 3.14 0.00 0.00 58.73 61.92 3idf h TYR 20 Cb 0.66 -0.36 -0.04 0.00 1.54 0.00 0.00 36.73 38.54 3idf h TYR 20 CO 0.04 0.94 0.21 0.82 -1.64 0.00 0.00 178.16 178.53 3idf h ILE 21 N 1.14 0.97 -0.45 1.81 2.04 -0.83 0.60 117.51 122.79 3idf h ILE 21 Ca 0.25 -0.14 0.01 0.00 1.00 0.00 0.00 64.86 65.98 3idf h ILE 21 Cb 0.28 0.51 -0.03 0.00 -0.74 0.00 0.00 36.82 36.84 3idf h ILE 21 CO -0.01 0.08 0.28 -0.07 0.00 0.00 0.00 178.15 178.42 3idf h LEU 22 N 0.42 0.46 -0.88 1.44 3.38 -0.93 0.27 115.31 119.46 3idf h LEU 22 Ca 0.18 -0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.08 3idf h LEU 22 Cb 0.09 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 3idf h LEU 22 CO -0.13 0.33 0.10 0.44 0.09 0.00 0.00 178.44 179.26 3idf h ASP 23 N 0.56 0.87 0.28 -0.43 3.32 -0.59 0.13 116.42 120.56 3idf h ASP 23 Ca 0.17 -0.19 -0.33 0.00 0.02 0.00 0.00 57.03 56.71 3idf h ASP 23 Cb -0.02 -0.23 -0.05 0.00 0.22 0.00 0.00 39.33 39.25 3idf h ASP 23 CO -0.07 0.88 -1.98 0.23 -1.72 0.00 0.00 179.24 176.59 3idf n MET 24 N -4.24 0.67 0.00 3.56 2.81 0.16 -4.57 117.12 115.52 3idf n MET 24 Ca 0.04 0.21 0.00 0.00 -1.81 0.00 0.00 57.70 56.14 3idf n MET 24 Cb 0.27 -1.69 0.00 0.00 -0.71 0.00 0.00 33.22 31.08 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 -3.07 0.00 -0.36 2.03 3.72 0.93 -4.84 117.46 115.88 3idf n PHE 25 Ca -0.25 0.00 0.04 0.00 -0.05 0.00 0.00 57.45 57.18 3idf n PHE 25 Cb 1.07 0.00 0.20 0.00 -0.94 0.00 0.00 39.48 39.81 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 1.51 0.07 1.37 0.00 -0.64 -1.80 103.07 103.58 3idf h GLY 26 Ca 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 47.33 46.87 3idf h GLY 26 CO 0.00 0.31 0.00 0.58 0.00 0.00 0.00 176.54 177.43 3idf n LYS 27 N -4.51 1.41 -2.96 4.80 -0.00 -1.26 -4.84 118.16 110.79 3idf n LYS 27 Ca 0.16 -0.60 -0.42 0.00 -0.00 0.00 0.00 58.31 57.45 3idf n LYS 27 Cb 0.21 -1.48 -0.05 0.00 -0.00 0.00 0.00 35.03 33.71 3idf n LYS 27 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 3idf s ASP 28 N -1.96 6.53 0.00 -5.58 -1.08 -0.68 -4.92 116.67 108.98 3idf s ASP 28 Ca 0.41 0.29 0.29 0.00 -0.52 0.00 0.00 52.55 53.02 3idf s ASP 28 Cb 0.21 -2.39 1.37 0.00 -1.46 0.00 0.00 42.92 40.64 3idf s ASP 28 CO 0.34 -0.75 1.94 0.00 0.52 0.00 0.00 175.17 177.22 3idf n ALA 29 N 6.44 2.68 -0.76 3.66 0.00 -1.26 -3.36 120.51 127.92 3idf n ALA 29 Ca 0.03 -0.24 0.08 0.00 0.00 0.00 0.00 53.44 53.31 3idf n ALA 29 Cb 0.48 -1.39 0.35 0.00 0.00 0.00 0.00 19.45 18.90 3idf n ALA 29 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3idf n ASP 30 N -1.00 4.94 -4.67 0.00 8.00 -1.26 -4.95 116.55 117.60 3idf n ASP 30 Ca 0.16 -2.68 -0.35 0.00 0.71 0.00 0.00 54.79 52.62 3idf n ASP 30 Cb 0.25 -0.60 -0.09 0.00 -0.02 0.00 0.00 41.12 40.66 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 -0.56 3.58 -0.11 0.00 -4.23 -0.55 -4.93 115.64 108.84 3idf s THR 32 Ca 0.10 -0.92 0.02 0.00 -1.18 0.00 0.00 61.69 59.71 3idf s THR 32 Cb -0.12 -2.59 -0.01 0.00 1.34 0.00 0.00 72.50 71.12 3idf s THR 32 CO 0.02 0.31 -0.19 -0.22 -0.54 0.00 0.00 174.62 174.00 3idf s LEU 33 N -1.66 2.38 -0.09 4.79 2.96 -1.26 -0.11 118.68 125.69 3idf s LEU 33 Ca 0.19 -0.45 0.04 0.00 -0.22 0.00 0.00 54.13 53.68 3idf s LEU 33 Cb -0.11 -1.50 0.00 0.00 0.50 0.00 0.00 46.19 45.08 3idf s LEU 33 CO 0.10 0.16 -0.22 -0.89 -1.32 0.00 0.00 176.35 174.18 3idf s THR 34 N 0.35 1.90 -0.11 3.68 2.01 0.25 -0.91 115.64 122.83 3idf s THR 34 Ca -0.15 -0.94 -0.11 0.00 0.31 0.00 0.00 61.69 60.80 3idf s THR 34 Cb -0.17 -1.65 -0.05 0.00 0.01 0.00 0.00 72.50 70.65 3idf s THR 34 CO 0.07 0.53 0.25 -0.76 -0.69 0.00 0.00 174.62 174.02 3idf s LEU 35 N 0.32 4.36 -0.07 4.42 1.43 0.12 -0.99 118.68 128.27 3idf s LEU 35 Ca -0.16 0.59 0.05 0.00 -1.03 0.00 0.00 54.13 53.58 3idf s LEU 35 Cb -0.17 -2.30 -0.00 0.00 0.03 0.00 0.00 46.19 43.75 3idf s LEU 35 CO 0.07 0.28 -0.21 -0.51 0.23 0.00 0.00 176.35 176.21 3idf s ILE 36 N -0.50 1.77 -0.05 -0.59 2.07 -0.33 0.00 121.20 123.58 3idf s ILE 36 Ca 0.17 -0.89 0.04 0.00 -1.41 0.00 0.00 60.65 58.57 3idf s ILE 36 Cb -0.13 -1.53 -0.00 0.00 0.13 0.00 0.00 42.46 40.93 3idf s ILE 36 CO 0.06 0.50 -0.16 -2.28 -1.91 0.00 0.00 174.94 171.15 3idf s HIS 37 N 0.15 1.65 -0.22 3.50 5.65 -0.39 -1.54 115.29 124.10 3idf s HIS 37 Ca -0.10 -0.49 -0.02 0.00 0.25 0.00 0.00 55.06 54.70 3idf s HIS 37 Cb -0.15 -1.13 0.01 0.00 -1.18 0.00 0.00 32.58 30.14 3idf s HIS 37 CO 0.05 -0.18 -0.09 0.08 -0.65 0.00 0.00 174.74 173.95 3idf s VAL 38 N 0.13 2.88 -0.04 0.89 1.01 -1.26 -1.33 120.40 122.68 3idf s VAL 38 Ca -0.05 -0.77 -0.30 0.00 0.00 0.00 0.00 61.98 60.85 3idf s VAL 38 Cb -0.12 -2.34 -0.03 0.00 0.00 0.00 0.00 36.38 33.89 3idf s VAL 38 CO 0.02 0.38 1.15 -0.54 0.00 0.00 0.00 175.10 176.12 3idf s LYS 39 N 1.38 4.39 0.77 2.72 1.02 0.12 -4.85 119.74 125.29 3idf s LYS 39 Ca 0.04 1.62 -0.12 0.00 0.02 0.00 0.00 55.97 57.53 3idf s LYS 39 Cb -0.15 -3.52 0.06 0.00 -0.52 0.00 0.00 37.83 33.70 3idf s LYS 39 CO -0.06 -0.37 1.12 -1.25 -0.92 0.00 0.00 175.35 173.87 3idf s PRO 40 N 1.94 2.10 0.56 -1.68 0.04 -1.26 -1.36 135.00 135.35 3idf s PRO 40 Ca 0.55 1.35 -0.18 0.00 0.04 0.00 0.00 61.00 62.76 3idf s PRO 40 Cb -0.24 -1.87 -0.05 0.00 0.04 0.00 0.00 34.50 32.38 3idf s PRO 40 CO 0.23 -1.78 1.08 -1.21 0.04 0.00 0.00 177.00 175.35 3idf s GLU 41 N -4.58 3.37 0.01 4.56 2.02 -1.24 -4.71 118.70 118.13 3idf s GLU 41 Ca 0.65 1.38 -0.30 0.00 0.02 0.00 0.00 54.97 56.72 3idf s GLU 41 Cb -0.20 -2.03 -0.08 0.00 0.10 0.00 0.00 34.13 31.92 3idf s GLU 41 CO 0.52 -0.79 1.89 0.12 0.02 0.00 0.00 175.26 177.02 3idf s PHE 42 N -2.13 1.47 -0.13 1.61 5.36 -1.26 -4.99 117.98 117.90 3idf s PHE 42 Ca 0.67 -0.29 -0.06 0.00 -0.96 0.00 0.00 56.93 56.29 3idf s PHE 42 Cb -0.19 -4.16 0.05 0.00 -0.34 0.00 0.00 43.02 38.38 3idf s PHE 42 CO 0.30 -5.13 0.31 1.41 -1.46 0.00 0.00 175.22 170.65 3idf s MET 43 N 4.33 0.26 0.08 10.12 1.75 -1.26 -5.18 119.30 129.40 3idf s MET 43 Ca 0.85 0.66 0.02 0.00 -1.25 0.00 0.00 55.69 55.96 3idf s MET 43 Cb -0.40 -0.06 -0.04 0.00 2.84 0.00 0.00 34.83 37.17 3idf s MET 43 CO 0.38 -0.18 -0.07 -0.51 -0.65 0.00 0.00 175.02 174.00 3idf s LEU 44 N 1.50 2.44 0.53 4.11 1.43 -1.26 -5.15 118.68 122.28 3idf s LEU 44 Ca -0.08 -0.88 -0.19 0.00 -1.03 0.00 0.00 54.13 51.95 3idf s LEU 44 Cb -0.10 -0.08 -0.06 0.00 0.03 0.00 0.00 46.19 45.97 3idf s LEU 44 CO -0.10 -0.40 1.10 -0.31 0.23 0.00 0.00 176.35 176.87 3idf s TYR 45 N -3.01 2.78 0.36 0.29 1.51 -1.26 -4.94 117.35 113.08 3idf s TYR 45 Ca 0.05 1.55 0.06 0.00 -1.01 0.00 0.00 57.07 57.73 3idf s TYR 45 Cb 0.01 -3.21 0.75 0.00 -0.11 0.00 0.00 41.96 39.41 3idf s TYR 45 CO -0.04 -1.32 1.94 0.78 -1.11 0.00 0.00 175.55 175.80 3idf h GLY 46 N 1.26 1.01 1.09 0.71 0.00 -2.01 -1.40 103.07 103.73 3idf h GLY 46 Ca -0.50 -0.30 -0.02 0.00 0.00 0.00 0.00 47.33 46.51 3idf h GLY 46 CO 0.58 0.20 0.43 0.83 0.00 0.00 0.00 176.54 178.58 3idf h GLU 47 N 0.75 1.19 -0.10 4.80 5.08 -2.00 -2.19 114.58 122.11 3idf h GLU 47 Ca 0.34 -0.15 -0.19 0.00 -1.00 0.00 0.00 59.36 58.36 3idf h GLU 47 Cb 0.36 -0.23 -0.00 0.00 0.50 0.00 0.00 28.75 29.38 3idf h GLU 47 CO -0.12 0.89 -0.72 0.00 -1.00 0.00 0.00 179.01 178.05 3idf h ALA 48 N 1.29 0.56 -0.77 3.43 0.00 -1.80 -1.21 119.26 120.76 3idf h ALA 48 Ca 0.29 -0.60 0.07 0.00 0.00 0.00 0.00 54.91 54.67 3idf h ALA 48 Cb 0.07 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 17.74 3idf h ALA 48 CO -0.04 0.74 0.45 0.28 0.00 0.00 0.00 179.25 180.68 3idf h VAL 49 N 0.33 0.98 -0.10 0.00 2.07 -0.95 -0.55 116.25 118.04 3idf h VAL 49 Ca -0.03 -0.28 -0.20 0.00 0.82 0.00 0.00 66.70 67.01 3idf h VAL 49 Cb 1.30 0.10 0.01 0.00 -1.52 0.00 0.00 31.29 31.18 3idf h VAL 49 CO 0.13 0.15 -0.71 -0.07 0.02 0.00 0.00 177.57 177.08 3idf h LEU 50 N 0.81 0.79 -0.25 2.57 3.38 -1.36 -3.07 115.31 118.20 3idf h LEU 50 Ca 0.35 -0.67 -0.20 0.00 0.09 0.00 0.00 57.88 57.45 3idf h LEU 50 Cb 0.22 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 3idf h LEU 50 CO -0.19 1.34 -0.90 0.00 0.09 0.00 0.00 178.44 178.77 3idf h ALA 51 N 0.47 0.48 0.00 1.53 0.00 -1.02 -3.42 119.26 117.30 3idf h ALA 51 Ca -0.06 -0.73 -0.03 0.00 0.00 0.00 0.00 54.91 54.09 3idf h ALA 51 Cb 1.36 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 19.05 3idf h ALA 51 CO 0.15 0.92 -0.24 0.00 0.00 0.00 0.00 179.25 180.07 3idf n ALA 52 N -2.47 2.22 -0.38 0.00 0.00 -0.23 -5.00 120.51 114.64 3idf n ALA 52 Ca -0.04 -0.50 -0.01 0.00 0.00 0.00 0.00 53.44 52.89 3idf n ALA 52 Cb 0.82 -0.22 0.05 0.00 0.00 0.00 0.00 19.45 20.09 3idf n ALA 52 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 3idf n TYR 53 N 0.03 0.05 -0.16 0.00 9.36 -1.16 -1.50 117.16 123.78 3idf n TYR 53 Ca -0.03 1.23 -0.09 0.00 3.32 0.00 0.00 57.90 62.33 3idf n TYR 53 Cb 0.62 -0.88 -0.00 0.00 -0.63 0.00 0.00 39.34 38.44 3idf n TYR 53 CO 0.00 0.00 0.00 -0.44 0.22 0.00 0.00 176.86 176.64 3idf h ASP 54 N 0.00 0.68 1.64 2.98 3.32 -1.93 -3.17 116.42 119.93 3idf h ASP 54 Ca 0.35 -0.23 0.00 0.00 0.02 0.00 0.00 57.03 57.17 3idf h ASP 54 Cb 0.60 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.97 3idf h ASP 54 CO -0.99 0.73 -0.18 1.05 -1.72 0.00 0.00 179.24 178.14 3idf h GLU 55 N 0.60 0.00 -0.02 3.56 4.11 -1.68 -2.56 114.58 118.59 3idf h GLU 55 Ca 0.14 0.00 -0.26 0.00 0.07 0.00 0.00 59.36 59.31 3idf h GLU 55 Cb 0.32 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.58 3idf h GLU 55 CO 0.00 0.00 -1.00 0.82 0.07 0.00 0.00 179.01 178.90 3idf h ILE 56 N 0.00 1.29 -0.70 -1.06 2.04 -1.30 -1.27 117.51 116.51 3idf h ILE 56 Ca 0.00 -2.23 -0.06 0.00 1.00 0.00 0.00 64.86 63.57 3idf h ILE 56 Cb 0.91 2.33 -0.03 0.00 -0.74 0.00 0.00 36.82 39.29 3idf h ILE 56 CO 0.00 0.69 0.20 -0.33 0.00 0.00 0.00 178.15 178.71 3idf h GLU 57 N 0.40 1.10 -0.24 2.37 5.08 -1.55 -1.25 114.58 120.48 3idf h GLU 57 Ca -0.12 -0.24 -0.05 0.00 -1.00 0.00 0.00 59.36 57.95 3idf h GLU 57 Cb 1.65 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 30.74 3idf h GLU 57 CO 0.20 0.95 -0.04 1.98 -1.00 0.00 0.00 179.01 181.09 3idf h MET 58 N 1.05 0.46 -0.33 2.33 -1.53 -1.49 -2.79 114.93 112.63 3idf h MET 58 Ca 0.22 -0.17 -0.03 0.00 -3.44 0.00 0.00 59.70 56.29 3idf h MET 58 Cb 0.33 -0.03 -0.02 0.00 -0.55 0.00 0.00 31.60 31.33 3idf h MET 58 CO -0.00 0.67 0.08 0.87 0.14 0.00 0.00 176.91 178.68 3idf h LYS 59 N 0.21 0.47 -0.34 0.39 1.57 -1.13 -1.55 116.57 116.20 3idf h LYS 59 Ca 0.06 -0.07 -0.15 0.00 -1.87 0.00 0.00 60.65 58.63 3idf h LYS 59 Cb 0.49 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.71 3idf h LYS 59 CO 0.02 0.44 -0.38 1.49 -0.57 0.00 0.00 179.45 180.45 3idf h GLU 60 N 0.47 0.81 -0.29 3.15 4.57 -1.09 -1.41 114.58 120.79 3idf h GLU 60 Ca 0.11 -0.41 -0.11 0.00 -1.18 0.00 0.00 59.36 57.77 3idf h GLU 60 Cb 0.18 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.76 3idf h GLU 60 CO -0.00 1.05 -0.27 1.49 -1.18 0.00 0.00 179.01 180.09 3idf h GLU 61 N 0.66 0.58 -0.38 1.92 4.57 -1.23 -3.12 114.58 117.58 3idf h GLU 61 Ca 0.06 -0.24 -0.08 0.00 -1.18 0.00 0.00 59.36 57.92 3idf h GLU 61 Cb 0.94 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 29.49 3idf h GLU 61 CO 0.09 0.79 -0.10 1.49 -1.18 0.00 0.00 179.01 180.10 3idf h GLU 62 N 0.50 0.66 -0.38 1.92 4.81 -1.02 -2.22 114.58 118.84 3idf h GLU 62 Ca 0.07 -0.20 0.03 0.00 -0.13 0.00 0.00 59.36 59.13 3idf h GLU 62 Cb 0.73 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 30.01 3idf h GLU 62 CO 0.06 0.75 0.18 0.87 -0.73 0.00 0.00 179.01 180.13 3idf h LYS 63 N 0.60 0.35 -0.37 1.92 1.57 -1.20 0.18 116.57 119.62 3idf h LYS 63 Ca 0.11 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 3idf h LYS 63 Cb 0.53 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.75 3idf h LYS 63 CO 0.03 0.23 0.23 0.00 -0.57 0.00 0.00 179.45 179.38 3idf h ALA 64 N 1.21 0.46 0.31 3.86 0.00 -1.47 -0.69 119.26 122.94 3idf h ALA 64 Ca 0.17 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 3idf h ALA 64 Cb 0.10 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3idf h ALA 64 CO -0.13 -0.06 -0.15 -0.22 0.00 0.00 0.00 179.25 178.69 3idf h LYS 65 N 0.49 -0.40 -0.92 0.00 3.64 -1.07 -2.25 116.57 116.05 3idf h LYS 65 Ca 0.13 0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.53 3idf h LYS 65 Cb -0.03 0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 31.84 3idf h LYS 65 CO -0.03 -0.22 0.52 -0.07 -2.27 0.00 0.00 179.45 177.39 3idf h LEU 66 N -0.48 1.14 -0.17 5.20 3.38 -0.58 -0.10 115.31 123.69 3idf h LEU 66 Ca -0.04 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 57.81 3idf h LEU 66 Cb 0.37 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 3idf h LEU 66 CO 0.07 0.90 0.01 -0.07 0.09 0.00 0.00 178.44 179.43 3idf h LEU 67 N 1.29 0.30 -0.88 1.67 3.38 -1.12 -1.14 115.31 118.80 3idf h LEU 67 Ca 0.33 -0.30 -0.11 0.00 0.09 0.00 0.00 57.88 57.89 3idf h LEU 67 Cb -0.00 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 3idf h LEU 67 CO -0.06 0.52 -0.42 0.71 0.09 0.00 0.00 178.44 179.28 3idf h THR 68 N 0.06 1.31 -0.21 0.22 1.35 -1.18 -2.22 112.91 112.25 3idf h THR 68 Ca 0.05 -1.56 -0.08 0.00 -0.55 0.00 0.00 66.41 64.27 3idf h THR 68 Cb 0.37 1.69 -0.00 0.00 -1.73 0.00 0.00 68.15 68.47 3idf h THR 68 CO 0.01 0.47 -0.18 1.56 -0.25 0.00 0.00 175.52 177.13 3idf h GLN 69 N 0.24 0.49 -0.18 4.72 4.20 -1.00 -0.67 115.11 122.92 3idf h GLN 69 Ca 0.02 -0.25 0.05 0.00 0.06 0.00 0.00 58.65 58.53 3idf h GLN 69 Cb 0.85 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.58 3idf h GLN 69 CO 0.07 0.82 -0.17 -0.22 -0.67 0.00 0.00 178.83 178.66 3idf h LYS 70 N 0.18 -0.18 0.00 1.46 3.64 -1.03 -0.31 116.57 120.33 3idf h LYS 70 Ca 0.04 0.01 -0.15 0.00 -1.27 0.00 0.00 60.65 59.28 3idf h LYS 70 Cb 0.71 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.55 3idf h LYS 70 CO 0.05 -0.12 -0.73 0.74 -2.27 0.00 0.00 179.45 177.12 3idf h PHE 71 N -0.18 0.00 -0.65 1.91 0.04 -1.43 -1.78 116.94 114.84 3idf h PHE 71 Ca 0.12 0.00 -0.06 0.00 2.80 0.00 0.00 57.97 60.83 3idf h PHE 71 Cb 0.35 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.48 3idf h PHE 71 CO -0.31 0.73 0.18 0.77 -0.60 0.00 0.00 178.31 179.08 3idf h SER 72 N 0.00 0.98 -0.20 2.17 0.02 -0.91 -2.35 113.55 113.26 3idf h SER 72 Ca -0.01 -0.22 -0.01 0.00 -0.84 0.00 0.00 61.79 60.71 3idf h SER 72 Cb 1.38 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 63.66 3idf h SER 72 CO 0.09 0.95 0.08 0.74 -1.14 0.00 0.00 176.83 177.55 3idf h THR 73 N 0.96 1.16 -0.60 -2.27 2.02 -0.96 -1.40 112.91 111.82 3idf h THR 73 Ca 0.21 -0.48 0.11 0.00 0.77 0.00 0.00 66.41 67.02 3idf h THR 73 Cb 0.34 1.11 -0.08 0.00 -1.74 0.00 0.00 68.15 67.78 3idf h THR 73 CO -0.00 0.15 0.16 0.15 0.37 0.00 0.00 175.52 176.35 3idf h PHE 74 N 0.17 0.26 0.17 3.16 3.57 -1.09 -1.99 116.94 121.18 3idf h PHE 74 Ca 0.07 0.03 -0.24 0.00 3.53 0.00 0.00 57.97 61.36 3idf h PHE 74 Cb 0.17 -0.02 0.02 0.00 2.79 0.00 0.00 35.95 38.91 3idf h PHE 74 CO -0.01 0.01 -1.11 0.74 -2.23 0.00 0.00 178.31 175.70 3idf h PHE 75 N 0.30 0.64 -0.89 0.41 0.04 -1.41 -3.29 116.94 112.74 3idf h PHE 75 Ca 0.31 -0.47 0.02 0.00 2.80 0.00 0.00 57.97 60.63 3idf h PHE 75 Cb 0.45 -0.03 -0.05 0.00 2.20 0.00 0.00 35.95 38.52 3idf h PHE 75 CO -0.22 1.43 0.59 1.79 -0.60 0.00 0.00 178.31 181.29 3idf h THR 76 N -0.22 1.19 0.00 -1.55 1.35 -0.42 -0.66 112.91 112.60 3idf h THR 76 Ca -0.21 -0.40 0.00 0.00 -0.55 0.00 0.00 66.41 65.26 3idf h THR 76 Cb 1.81 -0.07 0.00 0.00 -1.73 0.00 0.00 68.15 68.16 3idf h THR 76 CO 0.17 0.21 0.00 -0.33 -0.25 0.00 0.00 175.52 175.32 3idf h GLU 77 N 1.16 0.00 -0.38 4.72 5.08 -1.48 -1.86 114.58 121.81 3idf h GLU 77 Ca 0.34 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.70 3idf h GLU 77 Cb -0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.19 3idf h GLU 77 CO -0.09 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 179.55 3idf n LYS 78 N -2.90 3.52 -0.55 2.33 5.02 -0.37 -4.97 118.16 120.25 3idf n LYS 78 Ca -0.00 -2.87 0.00 0.00 -2.02 0.00 0.00 58.31 53.41 3idf n LYS 78 Cb 0.22 -1.92 0.00 0.00 -0.02 0.00 0.00 35.03 33.31 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 0.01 0.73 3.27 0.72 0.00 -0.70 -5.05 105.19 104.18 3idf n GLY 79 Ca 0.23 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.18 3.13 -0.72 -0.61 1.01 -0.55 -4.98 121.20 116.31 3idf s ILE 80 Ca 0.00 -0.64 -0.16 0.00 0.00 0.00 0.00 60.65 59.85 3idf s ILE 80 Cb 0.00 -2.44 0.16 0.00 0.01 0.00 0.00 42.46 40.19 3idf s ILE 80 CO 0.00 0.40 0.72 0.21 0.00 0.00 0.00 174.94 176.27 3idf s ASN 81 N 1.43 6.49 0.52 3.58 2.47 -1.26 -1.77 114.94 126.39 3idf s ASN 81 Ca 0.05 -2.15 -0.18 0.00 0.42 0.00 0.00 52.86 51.00 3idf s ASN 81 Cb -0.14 -2.25 -0.07 0.00 -1.45 0.00 0.00 41.25 37.34 3idf s ASN 81 CO -0.05 -0.80 1.01 -2.16 -3.72 0.00 0.00 177.10 171.39 3idf s PRO 82 N 1.28 3.76 0.45 0.43 0.04 -1.26 -4.86 135.00 134.84 3idf s PRO 82 Ca 0.14 1.14 -0.20 0.00 0.04 0.00 0.00 61.00 62.12 3idf s PRO 82 Cb -0.18 -2.10 -0.10 0.00 0.04 0.00 0.00 34.50 32.16 3idf s PRO 82 CO -0.03 -0.44 0.97 -0.06 0.04 0.00 0.00 177.00 177.48 3idf s PHE 83 N -2.38 3.27 -0.08 0.56 0.08 -0.08 -4.93 117.98 114.42 3idf s PHE 83 Ca 0.62 1.58 0.01 0.00 0.12 0.00 0.00 56.93 59.27 3idf s PHE 83 Cb -0.13 -2.88 0.02 0.00 -0.57 0.00 0.00 43.02 39.46 3idf s PHE 83 CO 0.28 -0.28 -0.08 0.08 -0.10 0.00 0.00 175.22 175.12 3idf s VAL 84 N -2.21 0.92 -0.10 -0.44 1.01 -1.26 0.15 120.40 118.47 3idf s VAL 84 Ca 0.62 -0.30 0.04 0.00 0.00 0.00 0.00 61.98 62.34 3idf s VAL 84 Cb -0.10 -0.90 0.00 0.00 0.00 0.00 0.00 36.38 35.37 3idf s VAL 84 CO 0.17 0.32 -0.23 -0.69 0.00 0.00 0.00 175.10 174.68 3idf s VAL 85 N 1.14 1.98 -0.14 2.92 1.01 0.10 -4.94 120.40 122.46 3idf s VAL 85 Ca -0.06 -0.97 0.02 0.00 0.00 0.00 0.00 61.98 60.97 3idf s VAL 85 Cb -0.14 -1.72 0.01 0.00 0.00 0.00 0.00 36.38 34.53 3idf s VAL 85 CO -0.01 0.54 -0.21 -0.63 0.00 0.00 0.00 175.10 174.78 3idf s ILE 86 N 0.42 2.16 0.38 2.22 1.01 -1.26 -1.26 121.20 124.87 3idf s ILE 86 Ca -0.17 -0.95 0.08 0.00 0.00 0.00 0.00 60.65 59.61 3idf s ILE 86 Cb -0.18 -1.86 -0.07 0.00 0.01 0.00 0.00 42.46 40.36 3idf s ILE 86 CO 0.07 0.55 -0.02 -0.54 0.00 0.00 0.00 174.94 175.00 3idf s LYS 87 N 0.74 1.94 -0.06 2.79 -0.14 -0.44 -4.99 119.74 119.58 3idf s LYS 87 Ca -0.08 -1.99 0.02 0.00 -1.36 0.00 0.00 55.97 52.56 3idf s LYS 87 Cb -0.16 -1.72 0.01 0.00 -1.68 0.00 0.00 37.83 34.28 3idf s LYS 87 CO -0.00 0.04 -0.12 -2.00 -0.76 0.00 0.00 175.35 172.51 3idf s GLU 88 N -3.69 1.60 0.00 1.68 2.12 -1.26 -0.70 118.70 118.45 3idf s GLU 88 Ca 0.35 -0.39 0.00 0.00 0.36 0.00 0.00 54.97 55.29 3idf s GLU 88 Cb 0.06 -1.34 0.00 0.00 0.26 0.00 0.00 34.13 33.11 3idf s GLU 88 CO 0.18 0.02 0.00 0.41 -0.54 0.00 0.00 175.26 175.33 3idf n GLY 89 N 3.81 -0.31 3.63 -1.50 0.00 -0.46 -4.94 105.19 105.41 3idf n GLY 89 Ca -0.23 -1.20 -0.43 0.00 0.00 0.00 0.00 46.02 44.16 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 3.94 0.17 1.61 -6.30 -1.26 -3.73 118.70 111.13 3idf s GLU 90 Ca 0.00 1.14 -0.15 0.00 -2.50 0.00 0.00 54.97 53.46 3idf s GLU 90 Cb 0.00 -3.84 0.12 0.00 0.00 0.00 0.00 34.13 30.41 3idf s GLU 90 CO 0.00 -1.08 1.74 -1.35 0.02 0.00 0.00 175.26 174.59 3idf h PRO 91 N 8.94 0.28 0.30 4.30 0.11 -1.88 -1.24 132.00 142.80 3idf h PRO 91 Ca -0.24 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.85 3idf h PRO 91 Cb 1.08 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.11 3idf h PRO 91 CO 1.04 0.18 -0.33 0.28 -0.21 0.00 0.00 178.00 178.97 3idf h VAL 92 N 0.29 0.31 -0.52 3.15 2.07 -1.92 -0.14 116.25 119.49 3idf h VAL 92 Ca 0.20 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.82 3idf h VAL 92 Cb 0.21 0.31 -0.08 0.00 -1.52 0.00 0.00 31.29 30.22 3idf h VAL 92 CO -0.22 0.00 0.06 -0.08 0.02 0.00 0.00 177.57 177.35 3idf h GLU 93 N -0.67 0.18 -0.43 1.57 4.81 -1.94 -1.99 114.58 116.12 3idf h GLU 93 Ca -0.01 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.18 3idf h GLU 93 Cb 0.62 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.94 3idf h GLU 93 CO -0.08 0.12 0.14 0.52 -0.73 0.00 0.00 179.01 178.98 3idf h MET 94 N 0.19 0.66 -0.33 1.92 2.86 -0.89 -1.27 114.93 118.06 3idf h MET 94 Ca 0.27 -0.14 -0.03 0.00 -2.06 0.00 0.00 59.70 57.74 3idf h MET 94 Cb 0.38 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.93 3idf h MET 94 CO -0.38 0.63 0.07 0.28 1.06 0.00 0.00 176.91 178.58 3idf h VAL 95 N 0.55 1.22 -0.59 -2.22 2.07 -0.87 -1.65 116.25 114.75 3idf h VAL 95 Ca 0.14 -0.76 -0.03 0.00 0.82 0.00 0.00 66.70 66.86 3idf h VAL 95 Cb 0.24 1.09 -0.03 0.00 -1.52 0.00 0.00 31.29 31.08 3idf h VAL 95 CO -0.01 0.26 0.24 -0.07 0.02 0.00 0.00 177.57 178.01 3idf h LEU 96 N 0.38 0.82 -0.27 2.57 3.38 -1.30 -0.59 115.31 120.30 3idf h LEU 96 Ca 0.10 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.91 3idf h LEU 96 Cb 0.31 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 3idf h LEU 96 CO 0.00 0.76 0.17 -0.08 0.09 0.00 0.00 178.44 179.38 3idf h GLU 97 N 0.82 0.36 -0.85 1.13 4.57 -1.19 -3.02 114.58 116.41 3idf h GLU 97 Ca 0.20 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.35 3idf h GLU 97 Cb 0.19 -0.08 -0.04 0.00 -0.16 0.00 0.00 28.75 28.66 3idf h GLU 97 CO -0.02 0.26 0.53 1.49 -1.18 0.00 0.00 179.01 180.10 3idf h GLU 98 N 0.35 1.13 -0.12 1.92 4.57 -1.07 -2.92 114.58 118.45 3idf h GLU 98 Ca 0.10 -0.09 0.03 0.00 -1.18 0.00 0.00 59.36 58.22 3idf h GLU 98 Cb -0.01 -0.25 -0.00 0.00 -0.16 0.00 0.00 28.75 28.33 3idf h GLU 98 CO -0.02 0.78 0.29 0.00 -1.18 0.00 0.00 179.01 178.88 3idf h ALA 99 N 1.29 1.54 -0.27 2.92 0.00 -0.97 -2.77 119.26 121.00 3idf h ALA 99 Ca 0.31 -0.00 0.08 0.00 0.00 0.00 0.00 54.91 55.29 3idf h ALA 99 Cb -0.08 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3idf h ALA 99 CO -0.06 -0.35 0.28 0.87 0.00 0.00 0.00 179.25 179.98 3idf h LYS 100 N 0.00 0.00 -0.49 0.00 1.57 -1.55 -2.28 116.57 113.81 3idf h LYS 100 Ca 0.06 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 3idf h LYS 100 Cb 0.64 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.95 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 -3.83 4.94 -4.34 0.86 8.00 -1.04 -4.97 116.55 116.17 3idf n ASP 101 Ca 0.04 -2.83 -0.23 0.00 0.71 0.00 0.00 54.79 52.47 3idf n ASP 101 Cb 0.42 -0.61 -0.10 0.00 -0.02 0.00 0.00 41.12 40.82 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 -2.55 1.86 -0.09 1.24 2.02 -0.86 -4.98 117.35 113.99 3idf s TYR 102 Ca 0.49 -1.09 0.15 0.00 -0.37 0.00 0.00 57.07 56.26 3idf s TYR 102 Cb 0.37 -1.21 -0.22 0.00 -0.40 0.00 0.00 41.96 40.50 3idf s TYR 102 CO 0.16 -0.12 0.19 0.09 -1.57 0.00 0.00 175.55 174.30 3idf n ASN 103 N -0.88 1.25 -3.74 2.29 3.02 0.54 -4.93 115.26 112.81 3idf n ASN 103 Ca -0.04 0.00 -0.12 0.00 -0.03 0.00 0.00 54.58 54.39 3idf n ASN 103 Cb 0.66 1.27 -0.12 0.00 -0.61 0.00 0.00 39.78 40.98 3idf n ASN 103 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 3idf s LEU 104 N -4.68 0.48 -0.18 3.41 2.96 -0.98 -4.32 118.68 115.38 3idf s LEU 104 Ca -0.07 0.61 -0.06 0.00 -0.22 0.00 0.00 54.13 54.39 3idf s LEU 104 Cb 0.07 0.92 -0.03 0.00 0.50 0.00 0.00 46.19 47.65 3idf s LEU 104 CO 0.65 -0.15 0.02 -0.22 -1.32 0.00 0.00 176.35 175.33 3idf s LEU 105 N 0.93 3.53 -0.08 -0.68 2.96 -0.81 0.12 118.68 124.64 3idf s LEU 105 Ca -0.06 -0.04 0.05 0.00 -0.22 0.00 0.00 54.13 53.85 3idf s LEU 105 Cb -0.07 -1.88 -0.00 0.00 0.50 0.00 0.00 46.19 44.73 3idf s LEU 105 CO -0.06 0.15 -0.24 -0.63 -1.32 0.00 0.00 176.35 174.24 3idf s ILE 106 N 0.50 2.09 -0.01 6.68 1.09 0.42 0.06 121.20 132.03 3idf s ILE 106 Ca 0.00 -1.03 0.00 0.00 -1.10 0.00 0.00 60.65 58.53 3idf s ILE 106 Cb -0.13 -1.78 0.01 0.00 -1.06 0.00 0.00 42.46 39.49 3idf s ILE 106 CO 0.02 0.56 -0.00 -0.63 -0.10 0.00 0.00 174.94 174.79 3idf s ILE 107 N 0.14 0.05 -0.07 2.92 1.01 -0.50 -2.20 121.20 122.55 3idf s ILE 107 Ca -0.13 0.02 -0.26 0.00 0.00 0.00 0.00 60.65 60.28 3idf s ILE 107 Cb -0.16 -0.08 -0.03 0.00 0.01 0.00 0.00 42.46 42.20 3idf s ILE 107 CO 0.07 0.04 0.82 -0.83 0.00 0.00 0.00 174.94 175.04 3idf s GLY 108 N 0.23 2.58 -0.20 6.18 0.00 -1.26 -1.32 107.32 113.54 3idf s GLY 108 Ca -0.02 0.24 -0.27 0.00 0.00 0.00 0.00 44.72 44.67 3idf s GLY 108 CO -0.01 1.46 0.91 -0.45 0.00 0.00 0.00 173.10 175.02 3idf s SER 109 N 0.95 7.00 -0.11 1.64 0.15 0.71 -4.70 113.70 119.34 3idf s SER 109 Ca 0.42 1.24 -0.30 0.00 0.70 0.00 0.00 55.95 58.01 3idf s SER 109 Cb -0.18 -2.49 0.09 0.00 -1.71 0.00 0.00 66.02 61.73 3idf s SER 109 CO 0.20 -0.51 0.78 -0.55 1.20 0.00 0.00 173.24 174.35 3idf s SER 110 N 1.21 -0.59 0.61 5.45 0.15 -1.26 -4.78 113.70 114.49 3idf s SER 110 Ca 0.40 0.73 0.32 0.00 0.70 0.00 0.00 55.95 58.10 3idf s SER 110 Cb -0.16 0.60 1.85 0.00 -1.71 0.00 0.00 66.02 66.60 3idf s SER 110 CO 0.10 -0.48 2.19 1.05 1.20 0.00 0.00 173.24 177.29 3idf h GLU 111 N 3.16 0.00 -0.58 5.44 9.09 -1.90 -2.41 114.58 127.38 3idf h GLU 111 Ca -0.25 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.16 3idf h GLU 111 Cb 1.15 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.25 3idf h GLU 111 CO 0.32 0.00 0.00 0.09 0.05 0.00 0.00 179.01 179.47 3idf n ASN 112 N -3.64 3.67 -4.32 3.06 5.03 -1.26 -3.33 115.26 114.47 3idf n ASN 112 Ca -0.01 -1.99 -0.29 0.00 0.87 0.00 0.00 54.58 53.17 3idf n ASN 112 Cb 0.20 -0.39 0.24 0.00 -1.02 0.00 0.00 39.78 38.81 3idf n ASN 112 CO 0.00 0.00 0.00 -0.94 -1.83 0.00 0.00 177.26 174.49 3idf s SER 113 N -1.12 1.05 0.43 6.41 1.04 -0.91 -4.77 113.70 115.82 3idf s SER 113 Ca 0.42 1.20 0.27 0.00 0.48 0.00 0.00 55.95 58.33 3idf s SER 113 Cb 0.23 -1.84 1.48 0.00 0.10 0.00 0.00 66.02 65.98 3idf s SER 113 CO 0.30 -4.11 1.82 2.19 0.98 0.00 0.00 173.24 174.43 3idf h PHE 114 N -2.56 0.00 0.00 5.02 -5.15 -1.91 0.33 116.94 112.67 3idf h PHE 114 Ca -0.56 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.21 3idf h PHE 114 Cb 1.33 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.50 3idf h PHE 114 CO -0.49 0.00 -0.44 1.28 -2.00 0.00 0.00 178.31 176.66 3idf n LEU 115 N -2.48 0.73 -1.91 2.10 4.32 -1.26 -4.60 117.00 113.91 3idf n LEU 115 Ca -0.02 0.33 -0.20 0.00 -0.02 0.00 0.00 56.01 56.10 3idf n LEU 115 Cb 0.09 -0.22 -0.05 0.00 -1.62 0.00 0.00 43.42 41.61 3idf n LEU 115 CO 0.12 -0.09 -0.21 0.59 -1.22 0.00 0.00 177.39 176.58 3idf n ASN 116 N -2.14 -5.34 -3.56 -1.43 3.02 0.12 -4.95 115.26 100.97 3idf n ASN 116 Ca 0.04 0.30 -0.16 0.00 -0.03 0.00 0.00 54.58 54.72 3idf n ASN 116 Cb 0.44 -4.62 -0.06 0.00 -0.61 0.00 0.00 39.78 34.92 3idf n ASN 116 CO 0.00 0.00 0.00 -1.59 -2.62 0.00 0.00 177.26 173.05 3idf s LYS 117 N -4.22 0.97 0.60 3.52 -2.85 -1.21 -4.80 119.74 111.75 3idf s LYS 117 Ca 0.00 0.56 -0.18 0.00 -1.00 0.00 0.00 55.97 55.35 3idf s LYS 117 Cb 0.00 0.46 -0.03 0.00 -2.06 0.00 0.00 37.83 36.20 3idf s LYS 117 CO 0.00 -0.24 1.15 -1.50 0.10 0.00 0.00 175.35 174.87 3idf s ILE 118 N -0.56 2.95 0.10 3.79 2.07 -1.21 -4.49 121.20 123.85 3idf s ILE 118 Ca -0.07 0.54 -0.30 0.00 -1.41 0.00 0.00 60.65 59.42 3idf s ILE 118 Cb -0.02 -3.16 -0.06 0.00 0.13 0.00 0.00 42.46 39.35 3idf s ILE 118 CO 0.06 -0.17 1.18 -0.36 -1.91 0.00 0.00 174.94 173.74 3idf s PHE 119 N -1.87 3.46 -0.21 3.50 0.08 -1.26 -4.94 117.98 116.74 3idf s PHE 119 Ca 0.73 1.37 -0.11 0.00 0.12 0.00 0.00 56.93 59.04 3idf s PHE 119 Cb -0.25 -3.40 -0.09 0.00 -0.57 0.00 0.00 43.02 38.71 3idf s PHE 119 CO 0.34 -1.15 -0.28 0.00 -0.10 0.00 0.00 175.22 174.03 3idf n ALA 120 N 3.47 1.62 -2.10 5.36 0.00 -1.26 -5.02 120.51 122.57 3idf n ALA 120 Ca 0.07 -0.84 -0.07 0.00 0.00 0.00 0.00 53.44 52.59 3idf n ALA 120 Cb 0.46 0.22 -0.10 0.00 0.00 0.00 0.00 19.45 20.03 3idf n ALA 120 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3idf s SER 121 N -6.90 0.57 0.58 0.00 0.15 -1.26 -5.01 113.70 101.83 3idf s SER 121 Ca -0.30 -1.00 0.38 0.00 0.70 0.00 0.00 55.95 55.74 3idf s SER 121 Cb 0.11 0.19 1.93 0.00 -1.71 0.00 0.00 66.02 66.54 3idf s SER 121 CO 0.37 -0.58 2.16 1.12 1.20 0.00 0.00 173.24 177.51 3idf h HIS 122 N 3.13 0.00 -0.00 3.44 2.07 -2.03 -1.79 115.15 119.98 3idf h HIS 122 Ca -0.34 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.18 3idf h HIS 122 Cb 1.14 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.12 3idf h HIS 122 CO 0.54 0.00 -0.04 1.04 -3.07 0.00 0.00 177.93 176.40 3idf n GLN 123 N -2.97 0.35 -1.61 5.12 6.02 -1.26 -4.59 117.38 118.44 3idf n GLN 123 Ca -0.01 -0.04 -0.45 0.00 -0.01 0.00 0.00 57.00 56.49 3idf n GLN 123 Cb 0.15 -1.50 -0.02 0.00 1.02 0.00 0.00 30.24 29.89 3idf n GLN 123 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 3idf n ASP 124 N -1.29 1.64 -0.22 1.08 9.92 -0.67 -4.74 116.55 122.27 3idf n ASP 124 Ca 0.12 1.17 0.02 0.00 -0.53 0.00 0.00 54.79 55.58 3idf n ASP 124 Cb 0.28 -1.31 0.14 0.00 -0.64 0.00 0.00 41.12 39.58 3idf n ASP 124 CO 0.00 0.00 0.00 -0.78 0.13 0.00 0.00 177.20 176.55 3idf h ASP 125 N 2.55 0.15 -0.31 -2.24 3.58 -1.91 -0.46 116.42 117.79 3idf h ASP 125 Ca -0.42 0.10 0.01 0.00 0.42 0.00 0.00 57.03 57.15 3idf h ASP 125 Cb 1.33 0.11 -0.02 0.00 1.72 0.00 0.00 39.33 42.47 3idf h ASP 125 CO 0.64 0.07 0.18 0.15 -2.88 0.00 0.00 179.24 177.40 3idf h PHE 126 N 0.36 0.34 -0.45 0.28 3.57 -1.97 0.18 116.94 119.24 3idf h PHE 126 Ca 0.35 0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.91 3idf h PHE 126 Cb 0.51 -0.11 -0.05 0.00 2.79 0.00 0.00 35.95 39.10 3idf h PHE 126 CO -0.20 0.20 0.18 0.82 -2.23 0.00 0.00 178.31 177.08 3idf h ILE 127 N 0.37 0.89 0.00 1.41 1.08 -1.67 -1.56 117.51 118.03 3idf h ILE 127 Ca 0.12 -0.13 -0.05 0.00 -0.39 0.00 0.00 64.86 64.42 3idf h ILE 127 Cb -0.00 0.49 -0.01 0.00 -3.07 0.00 0.00 36.82 34.23 3idf h ILE 127 CO -0.06 0.07 -0.22 1.56 -0.69 0.00 0.00 178.15 178.81 3idf h GLN 128 N 0.37 0.00 0.00 2.37 1.08 -0.59 -2.92 115.11 115.42 3idf h GLN 128 Ca 0.21 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.39 3idf h GLN 128 Cb 0.17 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.60 3idf h GLN 128 CO -0.19 0.22 -0.66 0.87 -0.95 0.00 0.00 178.83 178.12 3idf h LYS 129 N 0.00 0.00 -6.54 1.46 1.57 -0.48 -3.47 116.57 109.11 3idf h LYS 129 Ca -0.00 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 58.21 3idf h LYS 129 Cb 0.48 0.00 0.06 0.00 0.08 0.00 0.00 32.23 32.85 3idf h LYS 129 CO 0.03 0.05 0.85 0.00 -0.57 0.00 0.00 179.45 179.81 3idf n ALA 130 N -2.17 1.71 1.14 3.86 0.00 -0.63 -4.88 120.51 119.54 3idf n ALA 130 Ca 0.01 0.43 0.14 0.00 0.00 0.00 0.00 53.44 54.02 3idf n ALA 130 Cb 0.57 -2.39 0.56 0.00 0.00 0.00 0.00 19.45 18.19 3idf n ALA 130 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3idf n PRO 131 N 3.57 0.19 -4.23 0.00 -0.04 -1.26 -4.88 135.00 128.35 3idf n PRO 131 Ca 0.17 -0.05 -0.14 0.00 -0.04 0.00 0.00 63.50 63.45 3idf n PRO 131 Cb 0.30 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.16 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 -2.84 0.12 0.51 0.52 -4.36 -1.26 -4.99 121.20 108.90 3idf s ILE 132 Ca 0.18 -2.00 -0.23 0.00 -0.26 0.00 0.00 60.65 58.34 3idf s ILE 132 Cb 0.19 -2.53 -0.06 0.00 1.25 0.00 0.00 42.46 41.31 3idf s ILE 132 CO 0.54 0.00 1.38 -2.65 0.24 0.00 0.00 174.94 174.46 3idf n PRO 133 N -0.34 1.91 -5.26 0.37 -0.02 -1.26 -4.86 135.00 125.53 3idf n PRO 133 Ca 0.02 0.69 -0.31 0.00 -2.02 0.00 0.00 63.50 61.88 3idf n PRO 133 Cb 0.66 -2.59 -0.16 0.00 -0.02 0.00 0.00 33.50 31.38 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 -1.25 2.09 -0.19 -1.45 1.01 -1.26 -1.92 120.40 117.43 3idf s VAL 134 Ca 0.67 -1.06 -0.01 0.00 0.00 0.00 0.00 61.98 61.57 3idf s VAL 134 Cb -0.43 -1.75 0.00 0.00 0.00 0.00 0.00 36.38 34.20 3idf s VAL 134 CO 0.53 0.57 -0.12 -0.22 0.00 0.00 0.00 175.10 175.86 3idf s LEU 135 N -0.29 2.57 -0.22 3.92 0.20 0.11 -4.97 118.68 119.99 3idf s LEU 135 Ca 0.00 -0.48 -0.05 0.00 0.69 0.00 0.00 54.13 54.29 3idf s LEU 135 Cb -0.13 -1.62 -0.02 0.00 -0.43 0.00 0.00 46.19 43.99 3idf s LEU 135 CO 0.02 0.01 0.01 -0.63 -0.29 0.00 0.00 176.35 175.48 3idf s ILE 136 N 1.25 3.92 -0.15 6.68 -1.09 -1.26 -1.41 121.20 129.14 3idf s ILE 136 Ca 0.03 -0.31 -0.05 0.00 -2.23 0.00 0.00 60.65 58.09 3idf s ILE 136 Cb -0.14 -2.79 -0.03 0.00 -1.58 0.00 0.00 42.46 37.91 3idf s ILE 136 CO -0.05 0.40 0.00 -0.69 -1.23 0.00 0.00 174.94 173.37 3idf s VAL 137 N 1.26 4.27 -2.96 2.92 1.01 -0.43 -4.96 120.40 121.49 3idf s VAL 137 Ca 0.04 -0.23 0.24 0.00 0.00 0.00 0.00 61.98 62.03 3idf s VAL 137 Cb -0.15 -2.87 0.22 0.00 0.00 0.00 0.00 36.38 33.58 3idf s VAL 137 CO 0.01 0.51 1.30 0.29 0.00 0.00 0.00 175.10 177.20