#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2r47 n HIS 0 N 0.00 2.50 -4.40 1.61 -0.00 -1.26 -4.65 115.22 109.01 2r47 n HIS 0 Ca 0.00 0.15 -0.34 0.00 0.46 0.00 0.00 57.72 58.00 2r47 n HIS 0 Cb 0.00 -2.61 -0.12 0.00 -0.12 0.00 0.00 29.99 27.15 2r47 n HIS 0 CO 0.00 0.00 0.00 -1.64 0.46 0.00 0.00 176.34 175.16 2r47 s MET 1 N 1.08 3.51 -0.14 1.57 -1.94 -1.26 -5.09 119.30 117.03 2r47 s MET 1 Ca 0.77 -0.50 -0.01 0.00 -1.71 0.00 0.00 55.69 54.24 2r47 s MET 1 Cb -0.60 -2.88 -0.02 0.00 2.01 0.00 0.00 34.83 33.35 2r47 s MET 1 CO 0.35 0.34 -0.11 -2.00 -0.01 0.00 0.00 175.02 173.60 2r47 s GLU 2 N 0.09 3.44 0.16 2.03 2.56 -1.26 -5.09 118.70 120.63 2r47 s GLU 2 Ca -0.00 -0.65 -0.31 0.00 0.00 0.00 0.00 54.97 54.00 2r47 s GLU 2 Cb -0.13 -2.70 -0.11 0.00 2.00 0.00 0.00 34.13 33.19 2r47 s GLU 2 CO 0.03 0.20 1.76 0.15 -0.56 0.00 0.00 175.26 176.83 2r47 s LYS 3 N 0.41 4.14 -0.23 4.30 1.02 -1.26 -4.93 119.74 123.20 2r47 s LYS 3 Ca -0.09 2.57 -0.18 0.00 0.02 0.00 0.00 55.97 58.29 2r47 s LYS 3 Cb -0.15 -3.36 -0.15 0.00 -0.52 0.00 0.00 37.83 33.64 2r47 s LYS 3 CO 0.05 -0.78 -0.04 -0.11 -0.92 0.00 0.00 175.35 173.54 2r47 n LEU 4 N 4.90 1.89 -3.78 3.17 7.94 -1.26 -5.08 117.00 124.78 2r47 n LEU 4 Ca 0.17 0.40 -0.04 0.00 -1.11 0.00 0.00 56.01 55.43 2r47 n LEU 4 Cb 0.37 -0.90 -0.01 0.00 0.53 0.00 0.00 43.42 43.41 2r47 n LEU 4 CO 0.64 0.31 0.67 -1.59 -1.11 0.00 0.00 177.39 176.31 2r47 s LYS 5 N -2.43 1.32 0.24 1.96 -2.85 -1.26 -5.17 119.74 111.55 2r47 s LYS 5 Ca -0.32 -0.73 0.08 0.00 -1.00 0.00 0.00 55.97 54.01 2r47 s LYS 5 Cb 0.09 0.45 -0.04 0.00 -2.06 0.00 0.00 37.83 36.27 2r47 s LYS 5 CO 0.52 -0.61 0.05 -1.21 0.10 0.00 0.00 175.35 174.21 2r47 s GLU 6 N -3.39 2.49 0.18 1.78 2.02 -1.26 -5.12 118.70 115.40 2r47 s GLU 6 Ca 0.12 -1.26 0.01 0.00 0.02 0.00 0.00 54.97 53.86 2r47 s GLU 6 Cb -0.02 -2.31 -0.04 0.00 0.10 0.00 0.00 34.13 31.85 2r47 s GLU 6 CO 0.03 0.39 0.05 -0.59 0.02 0.00 0.00 175.26 175.17 2r47 s PHE 7 N -2.16 1.17 -0.08 1.61 -0.12 -1.26 -5.14 117.98 112.00 2r47 s PHE 7 Ca 0.31 -1.16 -0.05 0.00 -0.05 0.00 0.00 56.93 55.98 2r47 s PHE 7 Cb -0.07 -0.66 0.04 0.00 -0.63 0.00 0.00 43.02 41.70 2r47 s PHE 7 CO 0.21 -0.38 0.19 0.50 -0.05 0.00 0.00 175.22 175.69 2r47 s ARG 8 N -4.01 0.16 0.00 1.99 3.52 -1.26 -5.01 118.95 114.34 2r47 s ARG 8 Ca 0.29 0.39 0.00 0.00 -0.13 0.00 0.00 55.73 56.28 2r47 s ARG 8 Cb 0.07 -0.08 0.00 0.00 -1.56 0.00 0.00 34.95 33.38 2r47 s ARG 8 CO 0.06 -0.13 0.00 0.41 -0.81 0.00 0.00 175.30 174.84 2r47 n GLY 9 N 3.88 -0.10 0.26 8.12 0.00 -1.26 -4.25 105.19 111.83 2r47 n GLY 9 Ca -0.22 -1.73 -0.09 0.00 0.00 0.00 0.00 46.02 43.97 2r47 n GLY 9 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2r47 h ILE 10 N 0.00 1.25 -0.56 -0.61 1.08 -2.00 -2.28 117.51 114.40 2r47 h ILE 10 Ca 0.00 -0.96 -0.01 0.00 -0.39 0.00 0.00 64.86 63.51 2r47 h ILE 10 Cb 0.00 0.87 -0.03 0.00 -3.07 0.00 0.00 36.82 34.60 2r47 h ILE 10 CO 0.00 0.34 0.33 0.11 -0.69 0.00 0.00 178.15 178.24 2r47 h LYS 11 N 0.74 0.77 -0.01 2.37 1.57 -2.00 -1.36 116.57 118.64 2r47 h LYS 11 Ca 0.16 -0.08 -0.14 0.00 -1.87 0.00 0.00 60.65 58.71 2r47 h LYS 11 Cb 0.41 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.55 2r47 h LYS 11 CO 0.01 0.57 -0.66 0.93 -0.57 0.00 0.00 179.45 179.73 2r47 h GLU 12 N 0.75 0.06 -0.50 3.15 5.08 -1.73 -1.60 114.58 119.80 2r47 h GLU 12 Ca 0.20 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.47 2r47 h GLU 12 Cb 0.01 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 2r47 h GLU 12 CO -0.04 0.70 0.15 1.25 -1.00 0.00 0.00 179.01 180.08 2r47 h HIS 13 N 0.04 0.80 -0.28 4.33 2.76 -1.02 -0.28 115.15 121.51 2r47 h HIS 13 Ca -0.01 -0.08 -0.09 0.00 -2.20 0.00 0.00 60.37 57.99 2r47 h HIS 13 Cb 1.17 -0.23 -0.01 0.00 1.55 0.00 0.00 27.41 29.88 2r47 h HIS 13 CO 0.01 0.70 -0.19 -0.07 -1.30 0.00 0.00 177.93 177.08 2r47 h LEU 14 N 0.67 0.49 -0.28 0.26 3.38 -1.17 -3.06 115.31 115.61 2r47 h LEU 14 Ca 0.16 -0.15 -0.13 0.00 0.09 0.00 0.00 57.88 57.85 2r47 h LEU 14 Cb 0.28 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 2r47 h LEU 14 CO -0.00 0.70 -0.35 1.23 0.09 0.00 0.00 178.44 180.10 2r47 h GLY 15 N 0.98 0.79 1.75 0.83 0.00 -0.86 -1.47 103.07 105.09 2r47 h GLY 15 Ca 0.07 -0.85 -0.05 0.00 0.00 0.00 0.00 47.33 46.50 2r47 h GLY 15 CO 0.04 0.77 -0.10 -0.39 0.00 0.00 0.00 176.54 176.86 2r47 h VAL 16 N 0.47 1.18 0.11 4.60 -1.51 -1.10 -1.76 116.25 118.24 2r47 h VAL 16 Ca 0.03 -0.78 -0.01 0.00 -1.23 0.00 0.00 66.70 64.72 2r47 h VAL 16 Cb 0.93 1.14 0.00 0.00 -2.13 0.00 0.00 31.29 31.24 2r47 h VAL 16 CO 0.08 0.25 -0.05 0.15 -1.23 0.00 0.00 177.57 176.77 2r47 h PHE 17 N 0.30 -0.13 -0.75 5.19 3.57 -1.41 -0.55 116.94 123.17 2r47 h PHE 17 Ca 0.06 -0.00 0.16 0.00 3.53 0.00 0.00 57.97 61.72 2r47 h PHE 17 Cb 0.36 0.04 -0.14 0.00 2.79 0.00 0.00 35.95 39.01 2r47 h PHE 17 CO 0.01 0.11 -0.09 0.00 -2.23 0.00 0.00 178.31 176.11 2r47 h ARG 18 N -0.37 0.05 -0.33 1.11 3.08 -1.00 -0.68 114.38 116.23 2r47 h ARG 18 Ca -0.01 -0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.01 2r47 h ARG 18 Cb 0.30 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.33 2r47 h ARG 18 CO 0.02 0.03 0.12 0.93 -1.07 0.00 0.00 179.97 180.00 2r47 h GLU 19 N 0.05 0.51 -0.86 0.04 5.08 -1.22 -1.27 114.58 116.90 2r47 h GLU 19 Ca 0.39 -0.10 0.13 0.00 -1.00 0.00 0.00 59.36 58.77 2r47 h GLU 19 Cb 0.64 -0.08 -0.09 0.00 0.50 0.00 0.00 28.75 29.73 2r47 h GLU 19 CO -0.71 0.53 0.47 0.00 -1.00 0.00 0.00 179.01 178.29 2r47 h ALA 20 N 0.96 1.28 -0.43 3.43 0.00 0.09 -3.06 119.26 121.52 2r47 h ALA 20 Ca 0.11 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.08 2r47 h ALA 20 Cb 0.22 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2r47 h ALA 20 CO -0.01 -0.00 0.00 1.33 0.00 0.00 0.00 179.25 180.57 2r47 n VAL 21 N -4.80 1.70 -0.36 0.00 0.24 -0.38 -4.72 118.33 110.01 2r47 n VAL 21 Ca 0.16 -1.34 0.29 0.00 -2.04 0.00 0.00 64.34 61.41 2r47 n VAL 21 Cb 0.38 0.14 0.59 0.00 -1.47 0.00 0.00 33.84 33.48 2r47 n VAL 21 CO 0.00 0.00 0.00 0.07 -2.14 0.00 0.00 176.83 174.76 2r47 h LYS 22 N 2.73 0.24 -0.17 7.34 2.10 -1.12 -0.44 116.57 127.24 2r47 h LYS 22 Ca 0.00 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.64 2r47 h LYS 22 Cb 1.22 -0.05 0.00 0.00 -0.90 0.00 0.00 32.23 32.49 2r47 h LYS 22 CO 0.15 0.16 0.00 -0.25 -2.00 0.00 0.00 179.45 177.51 2r47 n ASP 23 N -4.55 3.19 -4.83 7.07 8.00 -1.26 -4.97 116.55 119.21 2r47 n ASP 23 Ca 0.28 -2.00 -0.34 0.00 0.71 0.00 0.00 54.79 53.45 2r47 n ASP 23 Cb 1.09 -0.10 -0.06 0.00 -0.02 0.00 0.00 41.12 42.03 2r47 n ASP 23 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2r47 s ALA 24 N -1.79 3.26 -0.21 2.24 0.00 -0.18 -5.00 121.76 120.08 2r47 s ALA 24 Ca 0.32 0.21 0.03 0.00 0.00 0.00 0.00 51.96 52.52 2r47 s ALA 24 Cb 0.21 -2.92 -0.14 0.00 0.00 0.00 0.00 23.12 20.27 2r47 s ALA 24 CO 0.31 0.26 -0.17 0.39 0.00 0.00 0.00 175.76 176.55 2r47 n GLU 25 N -0.13 0.60 -4.05 0.00 -0.58 -1.26 -4.97 120.64 110.25 2r47 n GLU 25 Ca 0.03 0.11 -0.20 0.00 -0.42 0.00 0.00 57.16 56.68 2r47 n GLU 25 Cb 0.53 -1.42 -0.17 0.00 -0.57 0.00 0.00 31.44 29.81 2r47 n GLU 25 CO 0.00 0.00 0.00 0.50 -0.48 0.00 0.00 177.13 177.15 2r47 s ARG 26 N -2.42 0.73 -0.04 3.49 3.52 -1.26 -0.63 118.95 122.34 2r47 s ARG 26 Ca -0.27 -0.04 0.05 0.00 -0.13 0.00 0.00 55.73 55.34 2r47 s ARG 26 Cb 0.07 -0.83 -0.01 0.00 -1.56 0.00 0.00 34.95 32.62 2r47 s ARG 26 CO 0.51 -0.13 -0.19 0.42 -0.81 0.00 0.00 175.30 175.09 2r47 s ILE 27 N 1.15 1.59 -0.13 4.11 1.01 -0.61 -1.56 121.20 126.75 2r47 s ILE 27 Ca -0.08 -0.82 -0.02 0.00 0.00 0.00 0.00 60.65 59.73 2r47 s ILE 27 Cb -0.14 -1.35 -0.03 0.00 0.01 0.00 0.00 42.46 40.96 2r47 s ILE 27 CO -0.01 0.45 -0.05 -0.83 0.00 0.00 0.00 174.94 174.50 2r47 s GLY 28 N -0.13 1.71 -0.22 6.18 0.00 0.00 -1.13 107.32 113.75 2r47 s GLY 28 Ca -0.01 -0.84 -0.05 0.00 0.00 0.00 0.00 44.72 43.82 2r47 s GLY 28 CO 0.02 -0.24 -0.00 -1.36 0.00 0.00 0.00 173.10 171.51 2r47 s PHE 29 N 0.02 3.01 -0.18 1.90 0.08 -0.18 -0.08 117.98 122.55 2r47 s PHE 29 Ca 0.00 -0.62 -0.02 0.00 0.12 0.00 0.00 56.93 56.41 2r47 s PHE 29 Cb -0.13 -2.12 -0.01 0.00 -0.57 0.00 0.00 43.02 40.19 2r47 s PHE 29 CO 0.03 -0.37 -0.09 0.00 -0.10 0.00 0.00 175.22 174.69 2r47 s ALA 30 N 1.27 2.71 0.21 5.36 0.00 -0.22 -0.40 121.76 130.70 2r47 s ALA 30 Ca 0.04 -1.04 -0.21 0.00 0.00 0.00 0.00 51.96 50.74 2r47 s ALA 30 Cb -0.15 -1.46 0.07 0.00 0.00 0.00 0.00 23.12 21.59 2r47 s ALA 30 CO 0.01 -0.12 0.99 0.20 0.00 0.00 0.00 175.76 176.84 2r47 s GLY 31 N 0.96 0.12 -0.08 0.00 0.00 -0.81 -0.87 107.32 106.64 2r47 s GLY 31 Ca -0.01 -0.36 -0.30 0.00 0.00 0.00 0.00 44.72 44.05 2r47 s GLY 31 CO -0.00 1.76 1.26 0.14 0.00 0.00 0.00 173.10 176.26 2r47 s VAL 32 N -2.30 4.17 0.25 1.40 1.01 -1.26 -0.49 120.40 123.17 2r47 s VAL 32 Ca 0.20 1.48 -0.29 0.00 0.00 0.00 0.00 61.98 63.37 2r47 s VAL 32 Cb -0.03 -3.95 -0.15 0.00 0.00 0.00 0.00 36.38 32.25 2r47 s VAL 32 CO 0.06 -0.04 1.02 -2.65 0.00 0.00 0.00 175.10 173.49 2r47 n PRO 33 N 5.69 1.21 0.00 2.72 -0.02 -1.26 -3.36 135.00 139.98 2r47 n PRO 33 Ca 0.12 0.43 0.00 0.00 -2.02 0.00 0.00 63.50 62.03 2r47 n PRO 33 Cb 0.45 -1.81 0.00 0.00 -0.02 0.00 0.00 33.50 32.12 2r47 n PRO 33 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2r47 n GLY 34 N 1.52 2.34 0.84 -1.23 0.00 -1.26 -4.84 105.19 102.57 2r47 n GLY 34 Ca 0.12 -0.48 0.04 0.00 0.00 0.00 0.00 46.02 45.70 2r47 n GLY 34 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2r47 n VAL 35 N 0.00 0.80 0.00 1.61 3.14 -1.22 -4.51 118.33 118.16 2r47 n VAL 35 Ca 0.00 -0.51 0.00 0.00 -2.96 0.00 0.00 64.34 60.87 2r47 n VAL 35 Cb 0.00 -0.09 0.00 0.00 -1.06 0.00 0.00 33.84 32.69 2r47 n VAL 35 CO 0.00 0.00 0.00 0.41 -6.46 0.00 0.00 176.83 170.78 2r47 n THR 37 N 0.35 0.00 -0.15 1.55 -1.04 -1.21 -4.66 114.28 109.12 2r47 n THR 37 Ca 0.11 0.00 0.09 0.00 -2.04 0.00 0.00 64.05 62.22 2r47 n THR 37 Cb 0.46 0.00 0.42 0.00 -1.82 0.00 0.00 70.33 69.39 2r47 n THR 37 CO 0.00 0.00 0.00 -0.65 -0.64 0.00 0.00 175.07 173.78 2r47 h PRO 38 N 0.00 0.59 -0.24 -2.82 0.11 -1.93 -0.90 132.00 126.81 2r47 h PRO 38 Ca 0.00 -0.04 -0.18 0.00 0.11 0.00 0.00 66.00 65.90 2r47 h PRO 38 Cb 0.00 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 30.98 2r47 h PRO 38 CO 0.00 0.39 -0.53 0.74 -0.21 0.00 0.00 178.00 178.38 2r47 h PHE 39 N 0.60 1.00 -0.80 0.65 0.04 -1.96 0.51 116.94 116.99 2r47 h PHE 39 Ca 0.31 -0.37 0.12 0.00 2.80 0.00 0.00 57.97 60.83 2r47 h PHE 39 Cb 0.43 -0.18 -0.08 0.00 2.20 0.00 0.00 35.95 38.32 2r47 h PHE 39 CO -0.00 1.18 0.41 0.00 -0.60 0.00 0.00 178.31 179.31 2r47 h ALA 40 N 0.63 1.16 -0.08 2.45 0.00 -1.91 -1.11 119.26 120.41 2r47 h ALA 40 Ca 0.00 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 2r47 h ALA 40 Cb 1.15 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 2r47 h ALA 40 CO 0.12 -0.04 -0.08 1.96 0.00 0.00 0.00 179.25 181.21 2r47 h GLN 41 N 0.64 0.19 -0.12 0.00 4.20 -0.86 -0.06 115.11 119.10 2r47 h GLN 41 Ca 0.41 -0.10 0.04 0.00 0.06 0.00 0.00 58.65 59.07 2r47 h GLN 41 Cb 0.51 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.23 2r47 h GLN 41 CO -0.31 0.62 -0.22 1.25 -0.67 0.00 0.00 178.83 179.49 2r47 h LEU 42 N -0.24 -0.69 -0.58 1.46 5.85 -0.74 -0.31 115.31 120.07 2r47 h LEU 42 Ca 0.01 0.11 -0.16 0.00 0.84 0.00 0.00 57.88 58.69 2r47 h LEU 42 Cb 0.59 0.31 -0.01 0.00 0.37 0.00 0.00 40.66 41.91 2r47 h LEU 42 CO 0.02 -0.28 -0.66 -0.26 -0.34 0.00 0.00 178.44 176.92 2r47 h PHE 43 N -0.29 0.27 -0.80 1.25 0.04 -1.22 -2.28 116.94 113.90 2r47 h PHE 43 Ca 0.10 -0.11 0.06 0.00 2.80 0.00 0.00 57.97 60.82 2r47 h PHE 43 Cb 0.43 -0.04 -0.06 0.00 2.20 0.00 0.00 35.95 38.48 2r47 h PHE 43 CO -0.32 0.81 0.48 0.00 -0.60 0.00 0.00 178.31 178.68 2r47 h ALA 44 N 1.16 1.10 -0.44 2.45 0.00 -0.81 -2.31 119.26 120.42 2r47 h ALA 44 Ca -0.01 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 2r47 h ALA 44 Cb 1.19 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 2r47 h ALA 44 CO 0.10 0.20 0.07 -0.92 0.00 0.00 0.00 179.25 178.70 2r47 h TYR 45 N 0.88 0.69 0.00 0.00 3.20 -0.70 -0.80 116.97 120.23 2r47 h TYR 45 Ca 0.36 -0.06 -0.03 0.00 3.14 0.00 0.00 58.73 62.13 2r47 h TYR 45 Cb 0.19 -0.20 -0.00 0.00 1.54 0.00 0.00 36.73 38.25 2r47 h TYR 45 CO -0.05 0.61 -0.16 0.00 -1.64 0.00 0.00 178.16 176.93 2r47 h ALA 46 N 1.44 1.62 -0.97 1.82 0.00 -0.89 -2.87 119.26 119.40 2r47 h ALA 46 Ca 0.14 -0.14 -0.55 0.00 0.00 0.00 0.00 54.91 54.35 2r47 h ALA 46 Cb 0.30 -0.03 -0.43 0.00 0.00 0.00 0.00 17.79 17.64 2r47 h ALA 46 CO 0.00 0.20 -0.80 1.33 0.00 0.00 0.00 179.25 179.98 2r47 n VAL 47 N -4.18 2.45 0.26 0.00 0.24 -0.74 -4.88 118.33 111.48 2r47 n VAL 47 Ca -0.02 -4.39 0.10 0.00 -2.04 0.00 0.00 64.34 57.99 2r47 n VAL 47 Cb 0.23 -1.11 0.48 0.00 -1.47 0.00 0.00 33.84 31.97 2r47 n VAL 47 CO 0.00 0.00 0.00 -2.11 -2.14 0.00 0.00 176.83 172.58 2r47 n ARG 48 N -0.64 0.14 0.25 7.34 1.85 -0.38 -0.89 116.66 124.33 2r47 n ARG 48 Ca 0.42 0.52 0.12 0.00 -1.00 0.00 0.00 57.85 57.90 2r47 n ARG 48 Cb 0.88 -1.85 0.61 0.00 -1.05 0.00 0.00 32.46 31.05 2r47 n ARG 48 CO 0.00 0.00 0.00 0.38 -0.01 0.00 0.00 177.63 178.00 2r47 h ASP 49 N 0.00 0.00 -3.21 2.89 2.03 -1.88 -3.47 116.42 112.78 2r47 h ASP 49 Ca 0.00 0.00 -0.45 0.00 -0.73 0.00 0.00 57.03 55.85 2r47 h ASP 49 Cb 0.16 0.00 0.06 0.00 -0.83 0.00 0.00 39.33 38.72 2r47 h ASP 49 CO 0.00 0.15 0.10 -0.54 -1.03 0.00 0.00 179.24 177.92 2r47 s LYS 50 N -3.85 2.49 -0.82 4.15 1.02 -0.07 -5.02 119.74 117.64 2r47 s LYS 50 Ca -0.01 -0.43 -0.21 0.00 0.02 0.00 0.00 55.97 55.34 2r47 s LYS 50 Cb 0.11 -2.33 0.09 0.00 -0.52 0.00 0.00 37.83 35.18 2r47 s LYS 50 CO 0.60 -0.90 1.11 -0.51 -0.92 0.00 0.00 175.35 174.73 2r47 s ASP 51 N -4.43 6.40 0.04 2.83 1.01 0.20 -5.01 116.67 117.71 2r47 s ASP 51 Ca 0.57 -1.45 0.00 0.00 0.71 0.00 0.00 52.55 52.38 2r47 s ASP 51 Cb -0.10 -2.44 -0.04 0.00 1.01 0.00 0.00 42.92 41.35 2r47 s ASP 51 CO 0.42 -1.32 0.14 0.20 0.21 0.00 0.00 175.17 174.82 2r47 s ASN 52 N 3.84 5.97 0.08 0.27 0.02 -1.26 -1.58 114.94 122.28 2r47 s ASN 52 Ca 0.30 0.18 0.02 0.00 -1.02 0.00 0.00 52.86 52.34 2r47 s ASN 52 Cb -0.09 -1.76 -0.03 0.00 0.02 0.00 0.00 41.25 39.38 2r47 s ASN 52 CO -0.00 0.21 -0.08 0.27 0.02 0.00 0.00 177.10 177.52 2r47 s ILE 53 N -1.37 0.68 -0.15 0.60 -4.36 -0.28 -0.74 121.20 115.58 2r47 s ILE 53 Ca 0.29 -1.56 0.00 0.00 -0.26 0.00 0.00 60.65 59.13 2r47 s ILE 53 Cb -0.12 -1.22 -0.00 0.00 1.25 0.00 0.00 42.46 42.36 2r47 s ILE 53 CO 0.21 -0.63 -0.15 0.12 0.24 0.00 0.00 174.94 174.73 2r47 s PHE 54 N -2.56 2.78 -0.30 1.37 5.36 0.32 -1.01 117.98 123.94 2r47 s PHE 54 Ca 0.02 -0.99 -0.09 0.00 -0.96 0.00 0.00 56.93 54.91 2r47 s PHE 54 Cb -0.02 -1.88 -0.01 0.00 -0.34 0.00 0.00 43.02 40.77 2r47 s PHE 54 CO -0.02 -0.44 0.14 0.42 -1.46 0.00 0.00 175.22 173.85 2r47 s ILE 55 N 0.75 4.58 -0.14 3.12 1.01 0.46 -0.69 121.20 130.30 2r47 s ILE 55 Ca -0.06 -0.34 -0.29 0.00 0.00 0.00 0.00 60.65 59.96 2r47 s ILE 55 Cb -0.15 -3.29 -0.01 0.00 0.01 0.00 0.00 42.46 39.02 2r47 s ILE 55 CO 0.01 0.13 1.03 -2.16 0.00 0.00 0.00 174.94 173.95 2r47 s PRO 56 N 1.62 4.37 7.72 2.79 0.04 -1.26 -1.92 135.00 148.36 2r47 s PRO 56 Ca 0.05 1.40 0.00 0.00 0.04 0.00 0.00 61.00 62.49 2r47 s PRO 56 Cb -0.17 -3.57 0.00 0.00 0.04 0.00 0.00 34.50 30.80 2r47 s PRO 56 CO 0.06 -0.41 0.00 0.09 0.04 0.00 0.00 177.00 176.78 2r47 n ASN 57 N 5.40 0.00 -1.02 6.66 3.02 0.35 -1.65 115.26 128.03 2r47 n ASN 57 Ca 0.10 0.00 -0.01 0.00 -0.03 0.00 0.00 54.58 54.64 2r47 n ASN 57 Cb 0.48 0.00 0.21 0.00 -0.61 0.00 0.00 39.78 39.85 2r47 n ASN 57 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 2r47 n THR 58 N 0.00 2.46 -3.24 3.41 -2.24 -1.26 -4.11 114.28 109.30 2r47 n THR 58 Ca 0.00 -2.68 -0.45 0.00 -2.27 0.00 0.00 64.05 58.66 2r47 n THR 58 Cb 0.00 -0.30 0.00 0.00 -2.10 0.00 0.00 70.33 67.93 2r47 n THR 58 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2r47 n ASP 59 N -1.07 5.49 -0.14 3.42 8.00 -0.66 -4.84 116.55 126.76 2r47 n ASP 59 Ca 0.30 -3.04 0.05 0.00 0.71 0.00 0.00 54.79 52.81 2r47 n ASP 59 Cb 0.97 -1.42 0.36 0.00 -0.02 0.00 0.00 41.12 41.00 2r47 n ASP 59 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 2r47 h PHE 60 N 6.70 0.72 0.00 1.24 3.57 -1.91 -0.15 116.94 127.11 2r47 h PHE 60 Ca 0.21 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.73 2r47 h PHE 60 Cb 0.86 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 39.36 2r47 h PHE 60 CO 0.84 0.41 0.00 0.66 -2.23 0.00 0.00 178.31 177.99 2r47 h SER 61 N 0.74 0.00 -0.35 0.41 4.64 -1.98 -1.64 113.55 115.37 2r47 h SER 61 Ca 0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.58 2r47 h SER 61 Cb 0.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 2r47 h SER 61 CO -0.07 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.18 2r47 n LYS 62 N -2.37 2.30 -1.72 4.77 5.02 -0.07 -4.72 118.16 121.37 2r47 n LYS 62 Ca 0.01 -1.97 -0.43 0.00 -2.02 0.00 0.00 58.31 53.91 2r47 n LYS 62 Cb 0.21 -1.48 -0.02 0.00 -0.02 0.00 0.00 35.03 33.72 2r47 n LYS 62 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2r47 n ALA 63 N 1.17 2.23 -2.44 7.82 0.00 -0.62 -4.66 120.51 124.01 2r47 n ALA 63 Ca 0.19 0.39 -0.24 0.00 0.00 0.00 0.00 53.44 53.77 2r47 n ALA 63 Cb 0.53 -2.42 -0.11 0.00 0.00 0.00 0.00 19.45 17.44 2r47 n ALA 63 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2r47 s ARG 64 N -0.31 1.54 0.46 0.00 0.52 0.14 0.12 118.95 121.42 2r47 s ARG 64 Ca 0.66 -1.62 -0.23 0.00 -0.52 0.00 0.00 55.73 54.02 2r47 s ARG 64 Cb -0.54 -1.70 -0.07 0.00 0.52 0.00 0.00 34.95 33.16 2r47 s ARG 64 CO 0.47 0.34 1.18 0.15 0.02 0.00 0.00 175.30 177.46 2r47 s LYS 65 N -3.11 3.76 -0.29 3.54 3.01 -0.72 0.12 119.74 126.05 2r47 s LYS 65 Ca 0.24 1.82 -0.10 0.00 -1.01 0.00 0.00 55.97 56.92 2r47 s LYS 65 Cb -0.06 -2.44 -0.03 0.00 -1.01 0.00 0.00 37.83 34.29 2r47 s LYS 65 CO 0.11 -0.56 0.16 -0.51 0.51 0.00 0.00 175.35 175.06 2r47 s LEU 66 N -2.98 3.97 -0.12 3.17 1.43 0.08 -0.46 118.68 123.77 2r47 s LEU 66 Ca 0.63 -0.19 0.02 0.00 -1.03 0.00 0.00 54.13 53.57 2r47 s LEU 66 Cb -0.30 -2.06 -0.00 0.00 0.03 0.00 0.00 46.19 43.86 2r47 s LEU 66 CO 0.36 -0.09 -0.20 -1.61 0.23 0.00 0.00 176.35 175.04 2r47 s GLU 67 N 1.70 3.15 -0.19 1.70 2.02 0.26 -4.60 118.70 122.74 2r47 s GLU 67 Ca 0.06 -0.81 -0.29 0.00 0.02 0.00 0.00 54.97 53.95 2r47 s GLU 67 Cb -0.16 -2.44 -0.02 0.00 0.10 0.00 0.00 34.13 31.61 2r47 s GLU 67 CO 0.09 0.13 1.36 0.08 0.02 0.00 0.00 175.26 176.94 2r47 s VAL 68 N 0.49 4.10 0.08 2.63 1.01 -1.26 -0.32 120.40 127.12 2r47 s VAL 68 Ca -0.13 1.30 0.00 0.00 0.00 0.00 0.00 61.98 63.15 2r47 s VAL 68 Cb -0.17 -3.94 -0.00 0.00 0.00 0.00 0.00 36.38 32.27 2r47 s VAL 68 CO 0.05 -0.22 0.00 0.35 0.00 0.00 0.00 175.10 175.28 2r47 n THR 69 N 5.70 0.00 0.27 3.92 -2.24 -0.57 -4.98 114.28 116.38 2r47 n THR 69 Ca 0.15 -0.36 0.14 0.00 -2.27 0.00 0.00 64.05 61.70 2r47 n THR 69 Cb 0.45 0.08 0.74 0.00 -2.10 0.00 0.00 70.33 69.50 2r47 n THR 69 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2r47 h GLU 70 N 0.00 0.00 0.00 -0.78 3.07 -2.02 -3.09 114.58 111.76 2r47 h GLU 70 Ca -0.06 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.80 2r47 h GLU 70 Cb 0.19 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.10 2r47 h GLU 70 CO 0.10 0.11 -0.97 0.66 -1.40 0.00 0.00 179.01 177.51 2r47 n TYR 71 N -3.54 0.51 0.00 4.33 4.01 -1.26 -5.07 117.16 116.14 2r47 n TYR 71 Ca -0.02 0.15 0.00 0.00 -0.16 0.00 0.00 57.90 57.87 2r47 n TYR 71 Cb 0.25 -0.63 0.00 0.00 -0.31 0.00 0.00 39.34 38.64 2r47 n TYR 71 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2r47 n GLY 72 N 1.31 0.02 3.35 2.72 0.00 -1.17 -5.04 105.19 106.38 2r47 n GLY 72 Ca 0.01 -0.33 -0.32 0.00 0.00 0.00 0.00 46.02 45.38 2r47 n GLY 72 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2r47 s VAL 73 N 0.00 2.64 0.18 1.61 1.01 -1.26 -1.51 120.40 123.07 2r47 s VAL 73 Ca 0.00 -0.84 0.02 0.00 0.00 0.00 0.00 61.98 61.16 2r47 s VAL 73 Cb 0.00 -2.04 -0.05 0.00 0.00 0.00 0.00 36.38 34.29 2r47 s VAL 73 CO 0.00 0.56 -0.01 -1.61 0.00 0.00 0.00 175.10 174.04 2r47 s GLU 74 N -0.05 1.13 0.12 2.72 2.02 0.56 -4.90 118.70 120.29 2r47 s GLU 74 Ca -0.05 -1.54 -0.27 0.00 0.02 0.00 0.00 54.97 53.14 2r47 s GLU 74 Cb -0.14 -0.33 -0.07 0.00 0.10 0.00 0.00 34.13 33.69 2r47 s GLU 74 CO 0.04 -0.11 0.84 -0.51 0.02 0.00 0.00 175.26 175.54 2r47 s LEU 75 N -3.19 4.52 0.00 1.80 1.43 -1.26 0.90 118.68 122.89 2r47 s LEU 75 Ca 0.24 1.64 0.00 0.00 -1.03 0.00 0.00 54.13 54.98 2r47 s LEU 75 Cb 0.06 -3.38 0.00 0.00 0.03 0.00 0.00 46.19 42.90 2r47 s LEU 75 CO 0.04 0.07 0.00 0.61 0.23 0.00 0.00 176.35 177.30 2r47 n GLY 76 N 2.03 3.34 3.77 -3.19 0.00 0.39 -4.89 105.19 106.65 2r47 n GLY 76 Ca -0.02 -0.80 -0.39 0.00 0.00 0.00 0.00 46.02 44.81 2r47 n GLY 76 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2r47 s GLU 77 N 4.50 4.22 -0.33 1.61 8.01 -1.26 -4.45 118.70 130.99 2r47 s GLU 77 Ca 0.00 1.84 -0.28 0.00 0.01 0.00 0.00 54.97 56.53 2r47 s GLU 77 Cb 0.00 -2.81 -0.03 0.00 -4.31 0.00 0.00 34.13 26.99 2r47 s GLU 77 CO 0.00 -0.18 1.92 0.42 0.01 0.00 0.00 175.26 177.43 2r47 s ILE 78 N -1.36 3.35 -0.31 -1.63 -1.09 -1.26 -1.76 121.20 117.14 2r47 s ILE 78 Ca 0.54 0.34 -0.01 0.00 -2.23 0.00 0.00 60.65 59.29 2r47 s ILE 78 Cb -0.31 -3.50 0.13 0.00 -1.58 0.00 0.00 42.46 37.20 2r47 s ILE 78 CO 0.39 -0.34 0.23 -0.55 -1.23 0.00 0.00 174.94 173.45 2r47 s SER 79 N 6.94 2.44 -0.23 3.58 0.15 0.12 -4.95 113.70 121.76 2r47 s SER 79 Ca 0.84 -1.20 -0.29 0.00 0.70 0.00 0.00 55.95 56.00 2r47 s SER 79 Cb -0.24 0.10 -0.00 0.00 -1.71 0.00 0.00 66.02 64.17 2r47 s SER 79 CO 0.33 -0.38 1.22 -2.16 1.20 0.00 0.00 173.24 173.44 2r47 s PRO 80 N 2.02 4.13 0.04 5.44 0.04 -1.25 -4.63 135.00 140.79 2r47 s PRO 80 Ca 0.11 1.44 0.00 0.00 0.04 0.00 0.00 61.00 62.60 2r47 s PRO 80 Cb -0.16 -3.77 -0.03 0.00 0.04 0.00 0.00 34.50 30.58 2r47 s PRO 80 CO -0.27 -0.83 -0.04 0.20 0.04 0.00 0.00 177.00 176.10 2r47 s GLY 81 N 2.04 0.42 0.01 0.56 0.00 -1.26 -5.09 107.32 104.00 2r47 s GLY 81 Ca 0.52 -0.89 -0.16 0.00 0.00 0.00 0.00 44.72 44.19 2r47 s GLY 81 CO 0.16 -0.98 0.42 0.70 0.00 0.00 0.00 173.10 173.40 2r47 n ASN 82 N 0.94 -0.07 -4.47 1.64 4.13 -1.26 -4.94 115.26 111.23 2r47 n ASN 82 Ca -0.19 0.49 -0.27 0.00 1.68 0.00 0.00 54.58 56.29 2r47 n ASN 82 Cb 0.57 -0.39 -0.11 0.00 -1.54 0.00 0.00 39.78 38.31 2r47 n ASN 82 CO 0.00 0.00 0.00 0.68 0.28 0.00 0.00 177.26 178.22 2r47 s VAL 83 N -0.05 2.65 -0.17 2.41 -7.23 0.34 -4.95 120.40 113.40 2r47 s VAL 83 Ca 0.37 -1.88 0.17 0.00 -1.81 0.00 0.00 61.98 58.83 2r47 s VAL 83 Cb -0.52 -2.28 -0.02 0.00 0.56 0.00 0.00 36.38 34.12 2r47 s VAL 83 CO 0.24 -0.10 1.11 0.44 -0.31 0.00 0.00 175.10 176.48 2r47 h ASP 84 N 3.14 0.00 -3.37 4.85 5.19 -1.59 -2.59 116.42 122.04 2r47 h ASP 84 Ca -0.47 0.00 -0.37 0.00 -0.62 0.00 0.00 57.03 55.57 2r47 h ASP 84 Cb 1.20 0.00 -0.37 0.00 0.18 0.00 0.00 39.33 40.35 2r47 h ASP 84 CO 0.50 0.43 -0.75 -0.69 -3.12 0.00 0.00 179.24 175.61 2r47 s VAL 85 N -3.02 0.09 -0.22 -1.35 1.01 -1.15 -1.39 120.40 114.36 2r47 s VAL 85 Ca 0.00 0.24 -0.07 0.00 0.00 0.00 0.00 61.98 62.16 2r47 s VAL 85 Cb 0.08 -0.26 -0.03 0.00 0.00 0.00 0.00 36.38 36.17 2r47 s VAL 85 CO 0.78 0.18 0.05 -0.22 0.00 0.00 0.00 175.10 175.89 2r47 s LEU 86 N 1.69 3.44 -0.33 3.92 2.96 -0.45 -0.82 118.68 129.09 2r47 s LEU 86 Ca -0.01 -0.16 -0.05 0.00 -0.22 0.00 0.00 54.13 53.69 2r47 s LEU 86 Cb -0.13 -1.90 0.04 0.00 0.50 0.00 0.00 46.19 44.70 2r47 s LEU 86 CO -0.03 0.02 0.08 -0.69 -1.32 0.00 0.00 176.35 174.41 2r47 s VAL 87 N 1.25 3.62 0.04 1.68 1.01 0.88 -0.77 120.40 128.10 2r47 s VAL 87 Ca 0.04 -1.15 -0.25 0.00 0.00 0.00 0.00 61.98 60.62 2r47 s VAL 87 Cb -0.15 -3.04 -0.05 0.00 0.00 0.00 0.00 36.38 33.14 2r47 s VAL 87 CO 0.03 -0.14 0.77 -0.76 0.00 0.00 0.00 175.10 175.00 2r47 s LEU 88 N 1.38 4.44 -0.02 3.92 1.43 0.12 -1.05 118.68 128.89 2r47 s LEU 88 Ca -0.02 1.43 -0.07 0.00 -1.03 0.00 0.00 54.13 54.44 2r47 s LEU 88 Cb -0.19 -3.23 -0.05 0.00 0.03 0.00 0.00 46.19 42.75 2r47 s LEU 88 CO 0.02 -0.00 0.24 -0.76 0.23 0.00 0.00 176.35 176.08 2r47 s LEU 89 N 0.04 4.38 0.61 1.79 1.43 -0.05 -0.94 118.68 125.93 2r47 s LEU 89 Ca 0.39 0.55 0.32 0.00 -1.03 0.00 0.00 54.13 54.35 2r47 s LEU 89 Cb -0.20 -2.53 1.83 0.00 0.03 0.00 0.00 46.19 45.32 2r47 s LEU 89 CO 0.23 0.29 2.18 1.23 0.23 0.00 0.00 176.35 180.52 2r47 h GLY 90 N 4.25 0.00 0.98 -3.19 0.00 -1.70 -1.91 103.07 101.49 2r47 h GLY 90 Ca -0.51 0.00 0.15 0.00 0.00 0.00 0.00 47.33 46.97 2r47 h GLY 90 CO 0.64 0.00 0.37 -1.33 0.00 0.00 0.00 176.54 176.22 2r47 h GLY 91 N 0.00 0.00 1.57 4.60 0.00 -1.94 -0.87 103.07 106.43 2r47 h GLY 91 Ca 0.04 0.00 0.03 0.00 0.00 0.00 0.00 47.33 47.40 2r47 h GLY 91 CO -0.00 0.00 0.19 1.41 0.00 0.00 0.00 176.54 178.13 2r47 h LEU 92 N 0.00 0.00 -1.66 3.11 3.38 -1.68 -2.44 115.31 116.03 2r47 h LEU 92 Ca 0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.21 2r47 h LEU 92 Cb 0.98 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.73 2r47 h LEU 92 CO -0.00 0.00 -0.07 -1.54 0.09 0.00 0.00 178.44 176.92 2r47 n SER 93 N -3.48 2.64 -4.74 -0.43 3.41 -0.33 -0.44 113.62 110.26 2r47 n SER 93 Ca -0.00 -1.85 -0.41 0.00 -0.26 0.00 0.00 58.87 56.35 2r47 n SER 93 Cb 0.28 0.07 -0.04 0.00 -0.26 0.00 0.00 64.21 64.26 2r47 n SER 93 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 2r47 s MET 94 N -2.08 4.61 0.37 4.33 -1.94 -0.92 -4.90 119.30 118.77 2r47 s MET 94 Ca 0.28 1.69 -0.28 0.00 -1.71 0.00 0.00 55.69 55.67 2r47 s MET 94 Cb 0.20 -3.29 -0.11 0.00 2.01 0.00 0.00 34.83 33.64 2r47 s MET 94 CO 0.35 0.09 1.49 -2.30 -0.01 0.00 0.00 175.02 174.64 2r47 n PRO 95 N 2.40 2.66 -0.37 2.03 -0.02 -1.26 0.13 135.00 140.57 2r47 n PRO 95 Ca 0.03 0.93 0.00 0.00 -2.02 0.00 0.00 63.50 62.44 2r47 n PRO 95 Cb 0.46 -2.67 0.00 0.00 -0.02 0.00 0.00 33.50 31.28 2r47 n PRO 95 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2r47 n GLY 96 N 0.65 0.52 0.00 -1.23 0.00 -1.26 -4.35 105.19 99.52 2r47 n GLY 96 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 2r47 n GLY 96 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2r47 n ILE 97 N -2.00 0.00 -1.78 -0.61 2.08 -1.20 -5.05 119.36 110.80 2r47 n ILE 97 Ca 0.00 -0.03 0.00 0.00 0.56 0.00 0.00 62.75 63.28 2r47 n ILE 97 Cb 0.00 0.68 0.00 0.00 -0.75 0.00 0.00 39.64 39.57 2r47 n ILE 97 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2r47 n GLY 98 N 0.12 0.79 3.62 7.39 0.00 0.12 -4.87 105.19 112.37 2r47 n GLY 98 Ca 0.00 -1.92 -0.28 0.00 0.00 0.00 0.00 46.02 43.82 2r47 n GLY 98 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2r47 s SER 99 N -1.00 4.59 0.55 1.61 0.01 0.42 -4.94 113.70 114.94 2r47 s SER 99 Ca 0.00 -0.39 -0.19 0.00 1.31 0.00 0.00 55.95 56.67 2r47 s SER 99 Cb 0.00 -0.93 -0.05 0.00 0.21 0.00 0.00 66.02 65.25 2r47 s SER 99 CO 0.00 0.13 1.14 -0.62 0.41 0.00 0.00 173.24 174.31 2r47 s ASP 100 N -2.59 5.62 0.31 2.44 -1.08 -1.26 -4.80 116.67 115.31 2r47 s ASP 100 Ca 0.25 2.22 0.05 0.00 -0.52 0.00 0.00 52.55 54.54 2r47 s ASP 100 Cb -0.10 -2.58 0.52 0.00 -1.46 0.00 0.00 42.92 39.30 2r47 s ASP 100 CO 0.16 -1.29 1.78 -0.29 0.52 0.00 0.00 175.17 176.05 2r47 h ILE 101 N 1.13 1.25 -0.71 4.11 6.09 -1.99 -1.40 117.51 125.99 2r47 h ILE 101 Ca -0.50 -1.14 -0.05 0.00 -1.37 0.00 0.00 64.86 61.80 2r47 h ILE 101 Cb 1.27 1.32 -0.03 0.00 0.47 0.00 0.00 36.82 39.85 2r47 h ILE 101 CO 0.57 0.36 0.24 -0.33 -3.07 0.00 0.00 178.15 175.92 2r47 h GLU 102 N 0.35 1.09 -0.15 2.19 4.39 -1.99 -0.92 114.58 119.54 2r47 h GLU 102 Ca 0.06 -0.22 -0.05 0.00 0.34 0.00 0.00 59.36 59.49 2r47 h GLU 102 Cb 0.58 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 29.06 2r47 h GLU 102 CO 0.04 0.92 -0.13 -0.44 -1.16 0.00 0.00 179.01 178.24 2r47 h ASP 103 N 1.03 0.22 -0.16 1.42 3.32 -1.76 -1.73 116.42 118.77 2r47 h ASP 103 Ca 0.23 -0.05 -0.13 0.00 0.02 0.00 0.00 57.03 57.11 2r47 h ASP 103 Cb 0.27 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.76 2r47 h ASP 103 CO -0.01 0.38 -0.41 0.58 -1.72 0.00 0.00 179.24 178.06 2r47 h VAL 104 N 0.22 1.35 -0.80 -1.35 2.07 -0.86 -2.40 116.25 114.47 2r47 h VAL 104 Ca 0.05 -1.67 0.04 0.00 0.82 0.00 0.00 66.70 65.94 2r47 h VAL 104 Cb 0.38 1.99 -0.05 0.00 -1.52 0.00 0.00 31.29 32.09 2r47 h VAL 104 CO 0.02 0.51 0.51 0.11 0.02 0.00 0.00 177.57 178.74 2r47 h LYS 105 N 0.20 0.94 -0.10 1.57 6.56 -1.01 -0.86 116.57 123.87 2r47 h LYS 105 Ca -0.01 -0.06 -0.10 0.00 -1.06 0.00 0.00 60.65 59.43 2r47 h LYS 105 Cb 1.02 -0.21 -0.01 0.00 -0.57 0.00 0.00 32.23 32.46 2r47 h LYS 105 CO 0.09 0.62 -0.39 1.57 -2.06 0.00 0.00 179.45 179.27 2r47 h LYS 106 N 0.96 0.20 0.02 3.15 -0.00 -1.32 -0.77 116.57 118.82 2r47 h LYS 106 Ca 0.33 -0.09 -0.00 0.00 -0.00 0.00 0.00 60.65 60.89 2r47 h LYS 106 Cb 0.07 -0.00 0.00 0.00 -0.00 0.00 0.00 32.23 32.29 2r47 h LYS 106 CO -0.13 0.57 -0.01 1.25 -0.00 0.00 0.00 179.45 181.13 2r47 h LEU 107 N 0.17 -0.02 -1.22 7.07 5.85 -0.69 0.15 115.31 126.63 2r47 h LEU 107 Ca 0.02 -0.04 -0.05 0.00 0.84 0.00 0.00 57.88 58.65 2r47 h LEU 107 Cb 0.78 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.79 2r47 h LEU 107 CO 0.06 0.02 0.03 -0.37 -0.34 0.00 0.00 178.44 177.84 2r47 h VAL 108 N -0.07 1.20 -0.79 1.05 -1.51 -0.84 0.24 116.25 115.53 2r47 h VAL 108 Ca -0.00 -0.75 -0.03 0.00 -1.23 0.00 0.00 66.70 64.68 2r47 h VAL 108 Cb 0.06 0.88 -0.04 0.00 -2.13 0.00 0.00 31.29 30.06 2r47 h VAL 108 CO 0.00 0.26 0.37 -0.33 -1.23 0.00 0.00 177.57 176.65 2r47 h GLU 109 N 0.55 1.14 -0.00 5.19 5.08 -0.99 -2.26 114.58 123.28 2r47 h GLU 109 Ca 0.12 -0.17 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 2r47 h GLU 109 Cb 0.30 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.35 2r47 h GLU 109 CO 0.01 0.89 -0.05 -0.44 -1.00 0.00 0.00 179.01 178.41 2r47 h ASP 110 N 1.11 0.05 0.62 1.42 3.32 0.15 -3.40 116.42 119.70 2r47 h ASP 110 Ca 0.27 -0.79 -0.07 0.00 0.02 0.00 0.00 57.03 56.46 2r47 h ASP 110 Cb 0.13 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 2r47 h ASP 110 CO -0.03 0.83 -1.43 0.00 -1.72 0.00 0.00 179.24 176.89 2r47 n ALA 111 N -2.51 2.37 -2.80 3.45 0.00 0.78 -4.79 120.51 117.02 2r47 n ALA 111 Ca -0.09 -0.45 -0.39 0.00 0.00 0.00 0.00 53.44 52.50 2r47 n ALA 111 Cb 0.41 -0.93 -0.11 0.00 0.00 0.00 0.00 19.45 18.82 2r47 n ALA 111 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2r47 s LEU 112 N -5.28 4.31 0.47 0.00 2.96 -0.85 -0.50 118.68 119.79 2r47 s LEU 112 Ca -0.04 -0.61 -0.21 0.00 -0.22 0.00 0.00 54.13 53.05 2r47 s LEU 112 Cb 0.10 -2.03 -0.11 0.00 0.50 0.00 0.00 46.19 44.66 2r47 s LEU 112 CO 0.83 -0.24 0.68 -0.62 -1.32 0.00 0.00 176.35 175.67 2r47 n GLU 113 N 5.01 0.76 -1.65 1.98 1.02 -0.98 -4.78 120.64 122.00 2r47 n GLU 113 Ca -0.13 0.28 -0.46 0.00 -0.02 0.00 0.00 57.16 56.83 2r47 n GLU 113 Cb 0.49 -1.72 -0.03 0.00 -0.02 0.00 0.00 31.44 30.15 2r47 n GLU 113 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 2r47 n GLU 114 N 0.23 1.84 -0.99 3.49 0.28 -1.26 -0.45 120.64 123.78 2r47 n GLU 114 Ca 0.11 0.66 0.00 0.00 -0.16 0.00 0.00 57.16 57.77 2r47 n GLU 114 Cb 0.42 -2.30 0.00 0.00 1.43 0.00 0.00 31.44 30.99 2r47 n GLU 114 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2r47 n GLY 115 N 2.33 0.87 3.77 -1.84 0.00 -1.26 -5.03 105.19 104.02 2r47 n GLY 115 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 2r47 n GLY 115 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2r47 s GLY 116 N -2.00 1.70 -0.07 -0.02 0.00 0.41 -5.07 107.32 102.26 2r47 s GLY 116 Ca 0.00 -1.13 0.04 0.00 0.00 0.00 0.00 44.72 43.62 2r47 s GLY 116 CO 0.00 -0.28 -0.18 -0.54 0.00 0.00 0.00 173.10 172.10 2r47 s GLU 117 N -5.69 2.74 -0.23 2.90 2.02 -0.49 -4.99 118.70 114.97 2r47 s GLU 117 Ca 0.73 -0.77 -0.09 0.00 0.02 0.00 0.00 54.97 54.87 2r47 s GLU 117 Cb -0.06 -2.37 -0.04 0.00 0.10 0.00 0.00 34.13 31.76 2r47 s GLU 117 CO 0.55 0.44 0.11 -1.17 0.02 0.00 0.00 175.26 175.20 2r47 s LEU 118 N -0.26 3.85 0.22 1.80 2.96 -1.26 -1.35 118.68 124.64 2r47 s LEU 118 Ca 0.01 0.01 0.09 0.00 -0.22 0.00 0.00 54.13 54.02 2r47 s LEU 118 Cb -0.13 -2.02 -0.05 0.00 0.50 0.00 0.00 46.19 44.49 2r47 s LEU 118 CO 0.03 0.06 -0.17 -0.04 -1.32 0.00 0.00 176.35 174.90 2r47 s MET 119 N 1.09 1.44 -0.01 1.98 -1.94 0.05 0.81 119.30 122.71 2r47 s MET 119 Ca 0.06 -1.62 0.05 0.00 -1.71 0.00 0.00 55.69 52.47 2r47 s MET 119 Cb -0.14 -1.39 -0.01 0.00 2.01 0.00 0.00 34.83 35.30 2r47 s MET 119 CO 0.04 0.25 -0.17 0.20 -0.01 0.00 0.00 175.02 175.34 2r47 s GLY 120 N -3.25 0.81 -0.16 -0.03 0.00 -0.75 0.13 107.32 104.07 2r47 s GLY 120 Ca 0.24 -0.71 0.01 0.00 0.00 0.00 0.00 44.72 44.25 2r47 s GLY 120 CO 0.10 -0.59 -0.16 1.08 0.00 0.00 0.00 173.10 173.53 2r47 s LEU 121 N -0.38 1.89 0.25 0.66 1.43 -0.12 -1.11 118.68 121.29 2r47 s LEU 121 Ca 0.06 -0.58 -0.01 0.00 -1.03 0.00 0.00 54.13 52.58 2r47 s LEU 121 Cb -0.06 -1.29 -0.03 0.00 0.03 0.00 0.00 46.19 44.84 2r47 s LEU 121 CO -0.01 -0.04 0.23 0.00 0.23 0.00 0.00 176.35 176.76 2r47 s TYR 123 N -3.89 2.50 -1.70 0.00 2.02 -1.26 -1.40 117.35 113.63 2r47 s TYR 123 Ca 0.37 -0.28 -0.01 0.00 -0.37 0.00 0.00 57.07 56.77 2r47 s TYR 123 Cb 0.04 -1.37 0.00 0.00 -0.40 0.00 0.00 41.96 40.23 2r47 s TYR 123 CO 0.16 0.32 0.15 -1.33 -1.57 0.00 0.00 175.55 173.28 2r47 n MET 124 N 1.10 -2.42 -2.74 -0.62 2.81 -0.26 -2.36 117.12 112.62 2r47 n MET 124 Ca -0.16 0.97 -0.19 0.00 -1.81 0.00 0.00 57.70 56.51 2r47 n MET 124 Cb 0.52 -5.65 0.02 0.00 -0.71 0.00 0.00 33.22 27.40 2r47 n MET 124 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 2r47 n ASP 125 N -2.04 -5.41 -0.14 7.83 2.03 -1.26 -4.90 116.55 112.66 2r47 n ASP 125 Ca -0.21 -0.18 -0.05 0.00 0.52 0.00 0.00 54.79 54.86 2r47 n ASP 125 Cb 0.67 -4.31 0.03 0.00 -0.72 0.00 0.00 41.12 36.79 2r47 n ASP 125 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 2r47 h MET 126 N -0.85 0.43 -0.32 -0.67 2.86 -1.82 -1.62 114.93 112.94 2r47 h MET 126 Ca -0.45 -0.03 -0.05 0.00 -2.06 0.00 0.00 59.70 57.12 2r47 h MET 126 Cb 1.31 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.87 2r47 h MET 126 CO 0.49 0.29 0.02 0.74 1.06 0.00 0.00 176.91 179.51 2r47 h PHE 127 N 0.44 0.59 -0.33 -0.22 0.04 -1.89 -0.84 116.94 114.73 2r47 h PHE 127 Ca 0.19 -0.09 0.00 0.00 2.80 0.00 0.00 57.97 60.87 2r47 h PHE 127 Cb 0.10 -0.16 -0.02 0.00 2.20 0.00 0.00 35.95 38.08 2r47 h PHE 127 CO -0.10 0.65 0.22 0.00 -0.60 0.00 0.00 178.31 178.48 2r47 h ALA 128 N 0.86 0.42 -0.15 2.45 0.00 -1.89 -1.23 119.26 119.73 2r47 h ALA 128 Ca 0.09 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 2r47 h ALA 128 Cb 0.40 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2r47 h ALA 128 CO 0.01 -0.11 -0.14 0.00 0.00 0.00 0.00 179.25 179.02 2r47 h ARG 129 N 0.45 0.24 0.00 0.00 3.08 -1.15 -0.76 114.38 116.24 2r47 h ARG 129 Ca 0.12 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.12 2r47 h ARG 129 Cb -0.05 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 29.97 2r47 h ARG 129 CO -0.03 0.38 0.00 0.00 -1.07 0.00 0.00 179.97 179.26 2r47 n ALA 130 N -2.49 2.08 -0.54 0.04 0.00 -0.33 -4.90 120.51 114.37 2r47 n ALA 130 Ca -0.01 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.34 2r47 n ALA 130 Cb 0.27 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.36 2r47 n ALA 130 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2r47 n GLY 131 N 0.75 0.76 0.21 0.00 0.00 -0.29 -4.96 105.19 101.65 2r47 n GLY 131 Ca 0.07 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.24 2r47 n GLY 131 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 2r47 h TRP 132 N 0.00 0.00 0.00 1.61 4.06 -1.40 -1.35 115.95 118.86 2r47 h TRP 132 Ca 0.00 0.00 -0.04 0.00 2.06 0.00 0.00 58.89 60.91 2r47 h TRP 132 Cb 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.15 2r47 h TRP 132 CO 0.00 0.00 -0.21 1.88 -3.56 0.00 0.00 178.44 176.55 2r47 h TYR 133 N 0.00 0.00 0.00 0.49 0.05 -1.83 0.00 116.97 115.69 2r47 h TYR 133 Ca 0.00 0.00 -0.07 0.00 0.05 0.00 0.00 58.73 58.71 2r47 h TYR 133 Cb 0.51 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.24 2r47 h TYR 133 CO 0.00 0.21 -1.33 0.39 -1.05 0.00 0.00 178.16 176.38 2r47 n GLU 134 N -3.74 0.62 0.04 4.88 1.02 -0.55 -1.37 120.64 121.54 2r47 n GLU 134 Ca -0.01 0.10 0.03 0.00 -0.02 0.00 0.00 57.16 57.26 2r47 n GLU 134 Cb 0.32 -1.77 -0.08 0.00 -0.02 0.00 0.00 31.44 29.90 2r47 n GLU 134 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2r47 n LEU 135 N -2.69 0.73 -4.39 -4.62 4.77 -0.96 -4.77 117.00 105.08 2r47 n LEU 135 Ca -0.05 0.31 -0.20 0.00 -0.03 0.00 0.00 56.01 56.05 2r47 n LEU 135 Cb 0.67 0.06 -0.10 0.00 -2.33 0.00 0.00 43.42 41.72 2r47 n LEU 135 CO 0.42 0.08 -0.38 -0.76 -1.33 0.00 0.00 177.39 175.42 2r47 s LEU 136 N -5.56 2.46 -0.92 2.23 1.43 -0.04 -5.03 118.68 113.25 2r47 s LEU 136 Ca -0.03 -1.14 -0.02 0.00 -1.03 0.00 0.00 54.13 51.91 2r47 s LEU 136 Cb 0.09 -0.59 0.25 0.00 0.03 0.00 0.00 46.19 45.97 2r47 s LEU 136 CO 0.82 -0.32 0.94 -0.67 0.23 0.00 0.00 176.35 177.35 2r47 n ASP 137 N -0.49 4.68 -4.77 2.29 2.03 -1.26 -0.64 116.55 118.39 2r47 n ASP 137 Ca -0.06 -3.21 -0.40 0.00 0.52 0.00 0.00 54.79 51.64 2r47 n ASP 137 Cb 0.62 -1.08 -0.02 0.00 -0.72 0.00 0.00 41.12 39.93 2r47 n ASP 137 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 2r47 s PHE 138 N -1.75 2.99 0.01 -0.67 0.08 -1.26 -4.79 117.98 112.60 2r47 s PHE 138 Ca 0.30 1.47 0.00 0.00 0.12 0.00 0.00 56.93 58.82 2r47 s PHE 138 Cb -0.03 -3.58 -0.26 0.00 -0.57 0.00 0.00 43.02 38.59 2r47 s PHE 138 CO -0.07 -1.73 0.89 -0.44 -0.10 0.00 0.00 175.22 173.77 2r47 h ASP 139 N 2.93 0.29 -3.94 1.36 3.32 0.01 -3.44 116.42 116.96 2r47 h ASP 139 Ca -0.49 -0.40 -0.11 0.00 0.02 0.00 0.00 57.03 56.05 2r47 h ASP 139 Cb 1.24 -0.09 -0.23 0.00 0.22 0.00 0.00 39.33 40.46 2r47 h ASP 139 CO 0.64 1.34 -0.19 0.00 -1.72 0.00 0.00 179.24 179.31 2r47 s VAL 141 N 0.19 1.11 -0.19 0.00 1.01 -1.26 -1.80 120.40 119.45 2r47 s VAL 141 Ca -0.00 -0.58 0.00 0.00 0.00 0.00 0.00 61.98 61.40 2r47 s VAL 141 Cb -0.03 -0.94 0.02 0.00 0.00 0.00 0.00 36.38 35.43 2r47 s VAL 141 CO 0.01 0.32 -0.18 -0.63 0.00 0.00 0.00 175.10 174.62 2r47 s ILE 142 N -0.21 2.22 -0.05 2.22 1.01 -0.27 -4.96 121.20 121.16 2r47 s ILE 142 Ca 0.03 -0.89 0.06 0.00 0.00 0.00 0.00 60.65 59.85 2r47 s ILE 142 Cb -0.07 -1.95 -0.01 0.00 0.01 0.00 0.00 42.46 40.45 2r47 s ILE 142 CO -0.00 0.52 -0.23 0.21 0.00 0.00 0.00 174.94 175.44 2r47 s ASN 143 N 1.31 2.85 -0.01 3.58 2.47 -1.26 -1.64 114.94 122.23 2r47 s ASN 143 Ca 0.05 -0.47 0.06 0.00 0.42 0.00 0.00 52.86 52.92 2r47 s ASN 143 Cb -0.13 -0.73 -0.01 0.00 -1.45 0.00 0.00 41.25 38.92 2r47 s ASN 143 CO -0.12 0.23 -0.19 0.00 -3.72 0.00 0.00 177.10 173.31 2r47 s ALA 144 N -0.17 1.55 0.02 1.71 0.00 -0.50 -4.97 121.76 119.40 2r47 s ALA 144 Ca -0.02 -0.81 -0.00 0.00 0.00 0.00 0.00 51.96 51.12 2r47 s ALA 144 Cb -0.13 -0.39 -0.04 0.00 0.00 0.00 0.00 23.12 22.56 2r47 s ALA 144 CO 0.03 0.38 0.11 -0.51 0.00 0.00 0.00 175.76 175.77 2r47 s ASP 145 N -0.48 5.85 -0.06 0.00 1.01 -1.26 -1.10 116.67 120.63 2r47 s ASP 145 Ca 0.07 0.17 0.04 0.00 0.71 0.00 0.00 52.55 53.54 2r47 s ASP 145 Cb -0.07 -1.71 0.00 0.00 1.01 0.00 0.00 42.92 42.15 2r47 s ASP 145 CO -0.01 0.24 -0.17 -0.63 0.21 0.00 0.00 175.17 174.82 2r47 s ILE 146 N -1.28 1.47 0.11 0.77 -1.09 -1.26 -4.99 121.20 114.92 2r47 s ILE 146 Ca 0.26 -0.71 -0.13 0.00 -2.23 0.00 0.00 60.65 57.84 2r47 s ILE 146 Cb -0.12 -1.28 0.02 0.00 -1.58 0.00 0.00 42.46 39.49 2r47 s ILE 146 CO 0.18 0.43 0.31 1.51 -1.23 0.00 0.00 174.94 176.13 2r47 s ASP 147 N 0.24 -0.08 0.00 3.58 -4.77 -1.26 -5.09 116.67 109.29 2r47 s ASP 147 Ca -0.09 -0.45 0.00 0.00 -3.30 0.00 0.00 52.55 48.71 2r47 s ASP 147 Cb -0.14 0.41 0.00 0.00 -1.09 0.00 0.00 42.92 42.10 2r47 s ASP 147 CO 0.04 -0.79 0.00 0.61 0.70 0.00 0.00 175.17 175.73 2r47 n GLY 148 N -0.12 1.83 3.13 2.12 0.00 -1.26 -5.17 105.19 105.72 2r47 n GLY 148 Ca -0.16 -0.57 -0.12 0.00 0.00 0.00 0.00 46.02 45.18 2r47 n GLY 148 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2r47 s TYR 149 N -2.01 -0.01 -0.10 1.61 2.02 -1.26 -5.15 117.35 112.46 2r47 s TYR 149 Ca 0.00 -0.05 -0.01 0.00 -0.37 0.00 0.00 57.07 56.65 2r47 s TYR 149 Cb 0.00 -0.02 -0.03 0.00 -0.40 0.00 0.00 41.96 41.51 2r47 s TYR 149 CO 0.00 -0.30 -0.06 0.08 -1.57 0.00 0.00 175.55 173.70 2r47 s VAL 150 N -1.34 3.75 0.11 0.71 1.01 -1.26 -5.13 120.40 118.25 2r47 s VAL 150 Ca -0.14 -0.44 0.07 0.00 0.00 0.00 0.00 61.98 61.46 2r47 s VAL 150 Cb -0.07 -2.57 -0.04 0.00 0.00 0.00 0.00 36.38 33.71 2r47 s VAL 150 CO 0.02 0.57 -0.17 -0.76 0.00 0.00 0.00 175.10 174.76 2r47 s LEU 151 N -0.41 2.35 0.06 3.92 1.02 -1.26 -5.16 118.68 119.20 2r47 s LEU 151 Ca 0.06 -0.74 0.04 0.00 0.02 0.00 0.00 54.13 53.51 2r47 s LEU 151 Cb -0.12 -0.70 -0.03 0.00 0.02 0.00 0.00 46.19 45.36 2r47 s LEU 151 CO 0.02 -0.04 -0.11 -0.13 0.02 0.00 0.00 176.35 176.10 2r47 s ARG 152 N -2.26 0.70 0.00 1.70 0.52 -1.26 -5.37 118.95 112.98 2r47 s ARG 152 Ca 0.07 -0.89 0.00 0.00 -0.52 0.00 0.00 55.73 54.39 2r47 s ARG 152 Cb -0.08 -0.59 0.00 0.00 0.52 0.00 0.00 34.95 34.80 2r47 s ARG 152 CO 0.04 0.12 0.00 0.41 0.02 0.00 0.00 175.30 175.89