#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2r47 s HIS 0 N 0.00 2.88 -0.20 1.61 5.65 -1.26 -4.69 115.29 119.28 2r47 s HIS 0 Ca 0.00 0.32 -0.07 0.00 0.25 0.00 0.00 55.06 55.56 2r47 s HIS 0 Cb 0.00 -4.15 -0.03 0.00 -1.18 0.00 0.00 32.58 27.22 2r47 s HIS 0 CO 0.00 -4.37 0.05 -1.64 -0.65 0.00 0.00 174.74 168.13 2r47 s MET 1 N 1.23 3.81 -0.21 2.88 1.00 -1.26 -5.08 119.30 121.67 2r47 s MET 1 Ca 0.75 -0.42 -0.08 0.00 0.00 0.00 0.00 55.69 55.94 2r47 s MET 1 Cb -0.50 -3.20 -0.04 0.00 0.00 0.00 0.00 34.83 31.09 2r47 s MET 1 CO 0.32 0.11 0.08 -2.00 0.00 0.00 0.00 175.02 173.52 2r47 s GLU 2 N 0.81 3.86 0.05 2.03 2.12 -1.26 -5.07 118.70 121.24 2r47 s GLU 2 Ca 0.03 -0.39 -0.30 0.00 0.36 0.00 0.00 54.97 54.66 2r47 s GLU 2 Cb -0.14 -3.29 -0.08 0.00 0.26 0.00 0.00 34.13 30.88 2r47 s GLU 2 CO 0.02 0.08 1.70 0.15 -0.54 0.00 0.00 175.26 176.67 2r47 s LYS 3 N 0.91 4.18 -0.16 4.30 1.02 -1.26 -4.92 119.74 123.82 2r47 s LYS 3 Ca 0.04 2.36 -0.14 0.00 0.02 0.00 0.00 55.97 58.25 2r47 s LYS 3 Cb -0.14 -3.73 -0.10 0.00 -0.52 0.00 0.00 37.83 33.34 2r47 s LYS 3 CO 0.03 -0.79 0.04 1.25 -0.92 0.00 0.00 175.35 174.96 2r47 h LEU 4 N 9.10 0.00 -7.17 3.17 5.85 -1.97 -3.50 115.31 120.78 2r47 h LEU 4 Ca -0.43 -0.25 0.04 0.00 0.84 0.00 0.00 57.88 58.08 2r47 h LEU 4 Cb 1.20 0.00 -0.12 0.00 0.37 0.00 0.00 40.66 42.12 2r47 h LEU 4 CO 0.94 1.03 0.30 -1.59 -0.34 0.00 0.00 178.44 178.78 2r47 s LYS 5 N -2.23 1.22 0.28 1.25 -2.85 -1.26 -5.17 119.74 110.98 2r47 s LYS 5 Ca -0.19 -0.51 0.07 0.00 -1.00 0.00 0.00 55.97 54.34 2r47 s LYS 5 Cb 0.03 0.53 -0.03 0.00 -2.06 0.00 0.00 37.83 36.30 2r47 s LYS 5 CO 0.37 -0.54 0.26 -1.21 0.10 0.00 0.00 175.35 174.33 2r47 s GLU 6 N -3.58 2.92 0.11 1.78 2.02 -1.26 -5.11 118.70 115.58 2r47 s GLU 6 Ca 0.04 -1.10 -0.06 0.00 0.02 0.00 0.00 54.97 53.87 2r47 s GLU 6 Cb -0.02 -2.59 -0.02 0.00 0.10 0.00 0.00 34.13 31.61 2r47 s GLU 6 CO -0.08 0.28 0.15 -0.59 0.02 0.00 0.00 175.26 175.04 2r47 s PHE 7 N -2.18 0.40 -0.02 1.61 -0.12 -1.26 -5.14 117.98 111.27 2r47 s PHE 7 Ca 0.36 -0.83 0.00 0.00 -0.05 0.00 0.00 56.93 56.42 2r47 s PHE 7 Cb -0.07 -0.19 0.02 0.00 -0.63 0.00 0.00 43.02 42.15 2r47 s PHE 7 CO 0.26 -0.56 0.00 0.50 -0.05 0.00 0.00 175.22 175.38 2r47 s ARG 8 N -3.93 0.24 0.00 1.99 3.52 -1.26 -5.01 118.95 114.50 2r47 s ARG 8 Ca 0.12 0.07 0.00 0.00 -0.13 0.00 0.00 55.73 55.79 2r47 s ARG 8 Cb 0.05 -0.41 0.00 0.00 -1.56 0.00 0.00 34.95 33.03 2r47 s ARG 8 CO -0.06 -0.12 0.00 0.41 -0.81 0.00 0.00 175.30 174.73 2r47 n GLY 9 N 4.00 -1.27 0.28 8.12 0.00 -1.26 -4.20 105.19 110.86 2r47 n GLY 9 Ca -0.25 -1.60 -0.12 0.00 0.00 0.00 0.00 46.02 44.04 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 1.27 -0.36 -0.61 1.08 -2.00 -1.61 117.51 115.28 2r47 h ILE 10 Ca 0.00 -1.48 0.02 0.00 -0.39 0.00 0.00 64.86 63.02 2r47 h ILE 10 Cb 0.00 1.25 -0.03 0.00 -3.07 0.00 0.00 36.82 34.98 2r47 h ILE 10 CO 0.00 0.50 0.18 0.11 -0.69 0.00 0.00 178.15 178.25 2r47 h LYS 11 N 0.82 0.36 -0.16 2.37 1.57 -2.00 -1.35 116.57 118.18 2r47 h LYS 11 Ca 0.08 -0.02 -0.09 0.00 -1.87 0.00 0.00 60.65 58.75 2r47 h LYS 11 Cb 0.90 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.12 2r47 h LYS 11 CO 0.08 0.24 -0.31 0.93 -0.57 0.00 0.00 179.45 179.83 2r47 h GLU 12 N 0.37 0.31 -0.23 3.15 5.08 -1.70 0.05 114.58 121.61 2r47 h GLU 12 Ca 0.15 -0.12 -0.00 0.00 -1.00 0.00 0.00 59.36 58.38 2r47 h GLU 12 Cb 0.05 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 2r47 h GLU 12 CO -0.10 0.59 0.12 1.25 -1.00 0.00 0.00 179.01 179.87 2r47 h HIS 13 N 0.27 0.31 -0.53 4.33 2.76 -0.92 -0.24 115.15 121.13 2r47 h HIS 13 Ca 0.04 -0.01 -0.10 0.00 -2.20 0.00 0.00 60.37 58.10 2r47 h HIS 13 Cb 0.68 -0.10 -0.02 0.00 1.55 0.00 0.00 27.41 29.52 2r47 h HIS 13 CO 0.01 0.28 -0.06 -0.07 -1.30 0.00 0.00 177.93 176.79 2r47 h LEU 14 N 0.26 0.94 -0.26 0.26 3.38 -1.11 -2.99 115.31 115.79 2r47 h LEU 14 Ca 0.08 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.77 2r47 h LEU 14 Cb 0.07 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 2r47 h LEU 14 CO -0.01 1.03 0.17 1.23 0.09 0.00 0.00 178.44 180.95 2r47 h GLY 15 N 0.97 0.36 2.00 0.83 0.00 -0.62 -0.60 103.07 106.01 2r47 h GLY 15 Ca 0.15 -0.13 -0.04 0.00 0.00 0.00 0.00 47.33 47.30 2r47 h GLY 15 CO 0.04 0.12 -0.20 -0.39 0.00 0.00 0.00 176.54 176.11 2r47 h VAL 16 N 0.34 1.09 -0.14 4.60 -1.51 -1.03 -1.40 116.25 118.20 2r47 h VAL 16 Ca 0.10 -0.71 -0.09 0.00 -1.23 0.00 0.00 66.70 64.77 2r47 h VAL 16 Cb -0.03 1.39 0.00 0.00 -2.13 0.00 0.00 31.29 30.52 2r47 h VAL 16 CO -0.03 0.20 -0.26 0.15 -1.23 0.00 0.00 177.57 176.40 2r47 h PHE 17 N 0.00 0.54 -0.71 5.19 3.57 -1.31 -1.63 116.94 122.58 2r47 h PHE 17 Ca -0.00 -0.19 0.12 0.00 3.53 0.00 0.00 57.97 61.43 2r47 h PHE 17 Cb 0.37 -0.10 -0.08 0.00 2.79 0.00 0.00 35.95 38.93 2r47 h PHE 17 CO 0.00 0.89 0.29 0.00 -2.23 0.00 0.00 178.31 177.25 2r47 h ARG 18 N 0.04 0.45 -0.07 1.11 3.08 -0.76 -0.89 114.38 117.32 2r47 h ARG 18 Ca 0.01 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.03 2r47 h ARG 18 Cb 0.85 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.80 2r47 h ARG 18 CO 0.06 0.30 0.04 0.93 -1.07 0.00 0.00 179.97 180.23 2r47 h GLU 19 N 0.46 0.10 -0.95 0.04 5.08 -1.27 -2.43 114.58 115.62 2r47 h GLU 19 Ca 0.37 -0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.79 2r47 h GLU 19 Cb 0.51 -0.02 -0.07 0.00 0.50 0.00 0.00 28.75 29.67 2r47 h GLU 19 CO -0.35 0.11 0.60 0.00 -1.00 0.00 0.00 179.01 178.37 2r47 h ALA 20 N 0.98 1.32 -0.58 3.43 0.00 -0.26 -2.66 119.26 121.48 2r47 h ALA 20 Ca 0.03 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 2r47 h ALA 20 Cb 0.04 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 2r47 h ALA 20 CO -0.00 0.37 0.02 1.33 0.00 0.00 0.00 179.25 180.97 2r47 n VAL 21 N -4.56 2.79 0.09 0.00 0.24 -0.44 -4.71 118.33 111.73 2r47 n VAL 21 Ca 0.14 -1.45 0.13 0.00 -2.04 0.00 0.00 64.34 61.13 2r47 n VAL 21 Cb 0.19 -0.29 0.62 0.00 -1.47 0.00 0.00 33.84 32.90 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 3.83 0.10 -0.26 7.34 2.10 -1.06 -1.11 116.57 127.50 2r47 h LYS 22 Ca 0.02 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.67 2r47 h LYS 22 Cb 2.01 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 33.32 2r47 h LYS 22 CO 0.51 0.06 0.00 -0.25 -2.00 0.00 0.00 179.45 177.77 2r47 n ASP 23 N -4.46 3.30 -4.84 7.07 8.00 -1.26 -4.97 116.55 119.38 2r47 n ASP 23 Ca 0.05 -1.99 -0.32 0.00 0.71 0.00 0.00 54.79 53.23 2r47 n ASP 23 Cb 0.34 -0.16 -0.06 0.00 -0.02 0.00 0.00 41.12 41.22 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 -1.68 3.20 -0.18 2.24 0.00 -0.42 -5.00 121.76 119.91 2r47 s ALA 24 Ca 0.35 0.16 0.00 0.00 0.00 0.00 0.00 51.96 52.48 2r47 s ALA 24 Cb 0.22 -2.94 -0.11 0.00 0.00 0.00 0.00 23.12 20.29 2r47 s ALA 24 CO 0.31 0.17 -0.16 0.39 0.00 0.00 0.00 175.76 176.46 2r47 n GLU 25 N -0.68 0.44 -4.33 0.00 1.02 -1.26 -4.96 120.64 110.87 2r47 n GLU 25 Ca 0.05 0.11 -0.26 0.00 -0.02 0.00 0.00 57.16 57.04 2r47 n GLU 25 Cb 0.54 -1.34 -0.17 0.00 -0.02 0.00 0.00 31.44 30.45 2r47 n GLU 25 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 2r47 s ARG 26 N -2.35 1.67 -0.05 3.49 3.52 -1.26 -1.36 118.95 122.61 2r47 s ARG 26 Ca -0.24 -0.37 0.07 0.00 -0.13 0.00 0.00 55.73 55.06 2r47 s ARG 26 Cb 0.07 -1.50 -0.01 0.00 -1.56 0.00 0.00 34.95 31.94 2r47 s ARG 26 CO 0.40 -0.08 -0.25 0.42 -0.81 0.00 0.00 175.30 174.97 2r47 s ILE 27 N 1.05 2.05 -0.08 4.11 1.01 -0.43 -0.60 121.20 128.31 2r47 s ILE 27 Ca -0.07 -1.08 0.02 0.00 0.00 0.00 0.00 60.65 59.52 2r47 s ILE 27 Cb -0.15 -1.73 -0.02 0.00 0.01 0.00 0.00 42.46 40.58 2r47 s ILE 27 CO -0.01 0.57 -0.13 -0.83 0.00 0.00 0.00 174.94 174.55 2r47 s GLY 28 N -0.28 1.56 -0.19 6.18 0.00 -0.14 -0.77 107.32 113.67 2r47 s GLY 28 Ca 0.00 -0.93 -0.02 0.00 0.00 0.00 0.00 44.72 43.77 2r47 s GLY 28 CO 0.02 -0.53 -0.11 -1.36 0.00 0.00 0.00 173.10 171.12 2r47 s PHE 29 N -0.34 2.88 -0.17 1.90 0.08 -0.06 0.59 117.98 122.86 2r47 s PHE 29 Ca 0.03 -1.11 -0.03 0.00 0.12 0.00 0.00 56.93 55.94 2r47 s PHE 29 Cb -0.13 -2.00 -0.02 0.00 -0.57 0.00 0.00 43.02 40.30 2r47 s PHE 29 CO 0.02 -0.58 -0.05 0.00 -0.10 0.00 0.00 175.22 174.52 2r47 s ALA 30 N 1.24 2.88 0.27 5.36 0.00 0.14 -0.43 121.76 131.22 2r47 s ALA 30 Ca 0.03 -0.94 -0.20 0.00 0.00 0.00 0.00 51.96 50.85 2r47 s ALA 30 Cb -0.14 -1.55 0.06 0.00 0.00 0.00 0.00 23.12 21.49 2r47 s ALA 30 CO -0.05 0.02 0.91 0.20 0.00 0.00 0.00 175.76 176.84 2r47 s GLY 31 N 0.71 0.18 -0.08 0.00 0.00 -0.92 -0.89 107.32 106.32 2r47 s GLY 31 Ca -0.03 -0.48 -0.30 0.00 0.00 0.00 0.00 44.72 43.92 2r47 s GLY 31 CO 0.02 0.92 1.15 0.14 0.00 0.00 0.00 173.10 175.33 2r47 s VAL 32 N -2.41 4.41 0.32 1.40 1.01 -1.26 -0.53 120.40 123.33 2r47 s VAL 32 Ca 0.18 1.71 -0.28 0.00 0.00 0.00 0.00 61.98 63.60 2r47 s VAL 32 Cb -0.04 -4.10 -0.13 0.00 0.00 0.00 0.00 36.38 32.11 2r47 s VAL 32 CO 0.08 -0.01 1.11 -2.65 0.00 0.00 0.00 175.10 173.63 2r47 n PRO 33 N 5.26 1.64 0.00 2.72 -0.02 -1.26 -3.42 135.00 139.91 2r47 n PRO 33 Ca 0.11 0.58 0.00 0.00 -2.02 0.00 0.00 63.50 62.16 2r47 n PRO 33 Cb 0.47 -2.04 0.00 0.00 -0.02 0.00 0.00 33.50 31.90 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 1.05 1.99 0.36 -1.23 0.00 -1.26 -4.84 105.19 101.26 2r47 n GLY 34 Ca 0.08 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.59 2r47 n GLY 34 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2r47 n VAL 35 N 0.00 0.10 0.00 1.61 0.24 -1.23 -4.43 118.33 114.62 2r47 n VAL 35 Ca 0.00 -0.06 0.00 0.00 -2.04 0.00 0.00 64.34 62.24 2r47 n VAL 35 Cb 0.00 -0.28 0.00 0.00 -1.47 0.00 0.00 33.84 32.09 2r47 n VAL 35 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 2r47 n THR 37 N -0.14 0.00 0.08 3.34 -1.04 -1.22 -4.63 114.28 110.66 2r47 n THR 37 Ca 0.01 0.00 0.05 0.00 -2.04 0.00 0.00 64.05 62.07 2r47 n THR 37 Cb 0.19 0.00 0.48 0.00 -1.82 0.00 0.00 70.33 69.18 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 0.38 -0.32 -2.82 0.11 -1.94 -0.92 132.00 126.49 2r47 h PRO 38 Ca 0.00 -0.03 -0.11 0.00 0.11 0.00 0.00 66.00 65.98 2r47 h PRO 38 Cb 0.00 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.02 2r47 h PRO 38 CO 0.00 0.26 -0.21 0.74 -0.21 0.00 0.00 178.00 178.58 2r47 h PHE 39 N 0.39 0.83 -0.84 0.65 0.04 -1.94 -0.31 116.94 115.76 2r47 h PHE 39 Ca 0.10 -0.22 0.12 0.00 2.80 0.00 0.00 57.97 60.77 2r47 h PHE 39 Cb -0.02 -0.19 -0.08 0.00 2.20 0.00 0.00 35.95 37.86 2r47 h PHE 39 CO 0.00 0.95 0.46 0.00 -0.60 0.00 0.00 178.31 179.12 2r47 h ALA 40 N 0.75 1.23 -0.12 2.45 0.00 -1.80 -2.09 119.26 119.67 2r47 h ALA 40 Ca 0.06 0.06 -0.20 0.00 0.00 0.00 0.00 54.91 54.83 2r47 h ALA 40 Cb 0.76 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.48 2r47 h ALA 40 CO 0.06 0.01 -0.74 1.96 0.00 0.00 0.00 179.25 180.54 2r47 h GLN 41 N 0.72 0.59 -0.24 0.00 4.20 -0.73 -0.23 115.11 119.42 2r47 h GLN 41 Ca 0.43 -0.48 -0.05 0.00 0.06 0.00 0.00 58.65 58.61 2r47 h GLN 41 Cb 0.50 0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.37 2r47 h GLN 41 CO -0.30 1.10 -0.06 1.25 -0.67 0.00 0.00 178.83 180.15 2r47 h LEU 42 N 0.41 0.46 -0.38 1.46 5.85 -0.86 -1.12 115.31 121.13 2r47 h LEU 42 Ca -0.04 -0.37 -0.17 0.00 0.84 0.00 0.00 57.88 58.15 2r47 h LEU 42 Cb 1.34 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 42.22 2r47 h LEU 42 CO 0.14 0.72 -0.80 -0.26 -0.34 0.00 0.00 178.44 177.90 2r47 h PHE 43 N 0.19 0.00 -0.84 1.25 -1.00 -1.38 -2.53 116.94 112.64 2r47 h PHE 43 Ca 0.06 0.00 -0.03 0.00 2.81 0.00 0.00 57.97 60.80 2r47 h PHE 43 Cb 0.52 0.00 -0.04 0.00 3.61 0.00 0.00 35.95 40.04 2r47 h PHE 43 CO 0.05 0.80 0.39 0.00 -1.61 0.00 0.00 178.31 177.94 2r47 h ALA 44 N 1.20 1.08 -0.81 2.45 0.00 -0.97 -2.65 119.26 119.57 2r47 h ALA 44 Ca -0.01 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.75 2r47 h ALA 44 Cb 1.43 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 18.84 2r47 h ALA 44 CO 0.10 0.66 0.53 -0.92 0.00 0.00 0.00 179.25 179.62 2r47 h TYR 45 N 1.20 0.99 -0.19 0.00 3.20 -0.95 -0.42 116.97 120.80 2r47 h TYR 45 Ca 0.29 0.02 0.05 0.00 3.14 0.00 0.00 58.73 62.24 2r47 h TYR 45 Cb 0.14 -0.33 -0.01 0.00 1.54 0.00 0.00 36.73 38.07 2r47 h TYR 45 CO 0.02 0.60 0.14 0.00 -1.64 0.00 0.00 178.16 177.27 2r47 h ALA 46 N 1.31 2.15 -0.90 1.82 0.00 -1.15 -2.56 119.26 119.93 2r47 h ALA 46 Ca 0.31 -0.01 -0.54 0.00 0.00 0.00 0.00 54.91 54.67 2r47 h ALA 46 Cb -0.06 0.01 -0.43 0.00 0.00 0.00 0.00 17.79 17.31 2r47 h ALA 46 CO -0.09 -0.24 -0.82 1.33 0.00 0.00 0.00 179.25 179.44 2r47 n VAL 47 N -4.44 2.43 0.33 0.00 0.24 -0.78 -4.86 118.33 111.25 2r47 n VAL 47 Ca 0.02 -4.31 0.04 0.00 -2.04 0.00 0.00 64.34 58.05 2r47 n VAL 47 Cb 0.28 -1.05 0.20 0.00 -1.47 0.00 0.00 33.84 31.79 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 -0.65 0.04 0.23 7.34 1.85 -0.24 -0.72 116.66 124.52 2r47 n ARG 48 Ca 0.41 0.31 0.15 0.00 -1.00 0.00 0.00 57.85 57.72 2r47 n ARG 48 Cb 0.90 -1.50 0.49 0.00 -1.05 0.00 0.00 32.46 31.29 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 -3.07 2.89 2.03 -1.87 -3.45 116.42 112.95 2r47 h ASP 49 Ca 0.00 0.00 -0.46 0.00 -0.73 0.00 0.00 57.03 55.84 2r47 h ASP 49 Cb 0.13 0.00 0.09 0.00 -0.83 0.00 0.00 39.33 38.72 2r47 h ASP 49 CO 0.00 0.00 0.19 -0.54 -1.03 0.00 0.00 179.24 177.86 2r47 s LYS 50 N -3.45 1.76 -0.46 4.15 -0.14 0.10 -5.04 119.74 116.66 2r47 s LYS 50 Ca 0.04 -0.66 -0.15 0.00 -1.36 0.00 0.00 55.97 53.83 2r47 s LYS 50 Cb 0.08 -2.21 0.06 0.00 -1.68 0.00 0.00 37.83 34.08 2r47 s LYS 50 CO 0.57 -1.47 0.38 -0.51 -0.76 0.00 0.00 175.35 173.56 2r47 s ASP 51 N -4.66 6.14 -0.05 2.83 1.01 -0.46 -5.00 116.67 116.49 2r47 s ASP 51 Ca 0.65 -1.20 0.01 0.00 0.71 0.00 0.00 52.55 52.72 2r47 s ASP 51 Cb -0.07 -2.18 -0.03 0.00 1.01 0.00 0.00 42.92 41.64 2r47 s ASP 51 CO 0.45 -0.60 -0.04 0.20 0.21 0.00 0.00 175.17 175.39 2r47 s ASN 52 N 2.35 4.86 0.16 0.27 0.01 -1.26 -1.32 114.94 120.02 2r47 s ASN 52 Ca 0.05 -0.01 0.05 0.00 -0.71 0.00 0.00 52.86 52.24 2r47 s ASN 52 Cb -0.23 -1.25 -0.04 0.00 0.41 0.00 0.00 41.25 40.14 2r47 s ASN 52 CO 0.08 0.34 -0.11 0.27 -1.51 0.00 0.00 177.10 176.16 2r47 s ILE 53 N -0.91 1.34 -0.15 0.60 -4.36 0.05 -1.25 121.20 116.51 2r47 s ILE 53 Ca 0.15 -2.09 0.02 0.00 -0.26 0.00 0.00 60.65 58.46 2r47 s ILE 53 Cb -0.11 -1.89 0.01 0.00 1.25 0.00 0.00 42.46 41.71 2r47 s ILE 53 CO 0.04 -0.69 -0.19 0.12 0.24 0.00 0.00 174.94 174.46 2r47 s PHE 54 N -3.18 2.71 -0.31 1.37 5.36 -0.20 -0.88 117.98 122.85 2r47 s PHE 54 Ca 0.18 -1.22 -0.09 0.00 -0.96 0.00 0.00 56.93 54.84 2r47 s PHE 54 Cb 0.01 -1.84 -0.00 0.00 -0.34 0.00 0.00 43.02 40.85 2r47 s PHE 54 CO 0.02 -0.56 0.13 0.42 -1.46 0.00 0.00 175.22 173.78 2r47 s ILE 55 N 0.81 4.43 0.07 3.12 1.01 0.43 -1.64 121.20 129.42 2r47 s ILE 55 Ca -0.06 -0.51 -0.31 0.00 0.00 0.00 0.00 60.65 59.77 2r47 s ILE 55 Cb -0.15 -3.27 -0.06 0.00 0.01 0.00 0.00 42.46 38.99 2r47 s ILE 55 CO -0.01 0.06 1.20 -2.16 0.00 0.00 0.00 174.94 174.03 2r47 s PRO 56 N 1.58 4.44 5.03 2.79 0.04 -1.26 -2.17 135.00 145.44 2r47 s PRO 56 Ca 0.04 1.77 0.00 0.00 0.04 0.00 0.00 61.00 62.85 2r47 s PRO 56 Cb -0.17 -3.34 0.00 0.00 0.04 0.00 0.00 34.50 31.03 2r47 s PRO 56 CO 0.05 -0.25 0.00 0.09 0.04 0.00 0.00 177.00 176.93 2r47 n ASN 57 N 3.87 0.00 -0.65 6.66 3.02 0.30 -0.64 115.26 127.82 2r47 n ASN 57 Ca 0.09 0.00 0.05 0.00 -0.03 0.00 0.00 54.58 54.69 2r47 n ASN 57 Cb 0.46 0.00 0.20 0.00 -0.61 0.00 0.00 39.78 39.83 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 2.22 -3.01 3.41 -2.24 -1.26 -4.15 114.28 109.25 2r47 n THR 58 Ca 0.00 -2.51 -0.44 0.00 -2.27 0.00 0.00 64.05 58.83 2r47 n THR 58 Cb 0.00 -0.26 -0.02 0.00 -2.10 0.00 0.00 70.33 67.95 2r47 n THR 58 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2r47 s ASP 59 N -2.65 6.77 0.35 3.42 -1.08 0.18 -4.81 116.67 118.85 2r47 s ASP 59 Ca 0.39 -2.40 0.04 0.00 -0.52 0.00 0.00 52.55 50.06 2r47 s ASP 59 Cb 0.35 -2.36 0.65 0.00 -1.46 0.00 0.00 42.92 40.09 2r47 s ASP 59 CO 0.01 -0.89 1.94 0.15 0.52 0.00 0.00 175.17 176.90 2r47 h PHE 60 N 8.25 0.62 0.00 -5.34 3.57 -1.92 -1.48 116.94 120.64 2r47 h PHE 60 Ca 0.18 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.65 2r47 h PHE 60 Cb 0.99 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 39.54 2r47 h PHE 60 CO 1.12 0.50 0.00 0.66 -2.23 0.00 0.00 178.31 178.36 2r47 h SER 61 N 0.61 0.00 -0.73 0.41 4.64 -1.94 -2.11 113.55 114.44 2r47 h SER 61 Ca 0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 2r47 h SER 61 Cb 0.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 2r47 h SER 61 CO -0.01 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.24 2r47 n LYS 62 N -2.72 2.70 -1.87 4.77 5.02 -0.56 -4.82 118.16 120.68 2r47 n LYS 62 Ca -0.01 -2.64 -0.41 0.00 -2.02 0.00 0.00 58.31 53.23 2r47 n LYS 62 Cb 0.15 -1.57 -0.02 0.00 -0.02 0.00 0.00 35.03 33.57 2r47 n LYS 62 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2r47 s ALA 63 N -1.03 3.68 0.07 7.82 0.00 -0.79 -4.70 121.76 126.80 2r47 s ALA 63 Ca 0.49 1.48 0.06 0.00 0.00 0.00 0.00 51.96 54.00 2r47 s ALA 63 Cb 0.26 -3.61 -0.03 0.00 0.00 0.00 0.00 23.12 19.74 2r47 s ALA 63 CO 0.33 -0.90 -0.18 1.03 0.00 0.00 0.00 175.76 176.05 2r47 s ARG 64 N -0.72 1.05 0.29 0.00 0.52 -0.65 -0.24 118.95 119.20 2r47 s ARG 64 Ca 0.60 -0.98 -0.29 0.00 -0.52 0.00 0.00 55.73 54.54 2r47 s ARG 64 Cb -0.45 -1.16 -0.13 0.00 0.52 0.00 0.00 34.95 33.73 2r47 s ARG 64 CO 0.49 0.28 1.30 1.63 0.02 0.00 0.00 175.30 179.02 2r47 n LYS 65 N 1.46 1.99 -3.31 3.54 5.02 -0.43 -1.03 118.16 125.40 2r47 n LYS 65 Ca -0.19 0.70 -0.45 0.00 -2.02 0.00 0.00 58.31 56.36 2r47 n LYS 65 Cb 0.54 -2.29 -0.07 0.00 -0.02 0.00 0.00 35.03 33.19 2r47 n LYS 65 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2r47 s LEU 66 N -0.39 5.54 0.11 -0.35 1.43 -0.38 0.20 118.68 124.84 2r47 s LEU 66 Ca 0.61 -1.31 0.09 0.00 -1.03 0.00 0.00 54.13 52.49 2r47 s LEU 66 Cb -0.62 -2.25 -0.04 0.00 0.03 0.00 0.00 46.19 43.31 2r47 s LEU 66 CO 0.57 -0.76 -0.18 -1.83 0.23 0.00 0.00 176.35 174.37 2r47 s GLU 67 N 1.92 1.81 -0.04 1.70 -1.05 0.56 -4.54 118.70 119.06 2r47 s GLU 67 Ca 0.07 -1.16 -0.23 0.00 -0.15 0.00 0.00 54.97 53.51 2r47 s GLU 67 Cb -0.24 -2.12 -0.04 0.00 -0.44 0.00 0.00 34.13 31.29 2r47 s GLU 67 CO 0.07 0.49 0.67 0.08 0.95 0.00 0.00 175.26 177.52 2r47 s VAL 68 N -1.10 4.99 0.34 1.83 1.01 -1.26 -0.11 120.40 126.10 2r47 s VAL 68 Ca 0.17 1.38 0.02 0.00 0.00 0.00 0.00 61.98 63.56 2r47 s VAL 68 Cb -0.11 -4.01 -0.01 0.00 0.00 0.00 0.00 36.38 32.26 2r47 s VAL 68 CO 0.09 0.31 0.08 0.35 0.00 0.00 0.00 175.10 175.92 2r47 n THR 69 N 3.44 0.00 0.29 3.92 -2.24 0.13 -4.95 114.28 114.87 2r47 n THR 69 Ca -0.03 -1.85 0.10 0.00 -2.27 0.00 0.00 64.05 60.00 2r47 n THR 69 Cb 0.51 0.56 0.45 0.00 -2.10 0.00 0.00 70.33 69.76 2r47 n THR 69 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 2r47 n GLU 70 N -0.80 0.13 0.00 -0.78 0.28 -1.26 -2.10 120.64 116.11 2r47 n GLU 70 Ca -0.08 0.48 0.11 0.00 -0.16 0.00 0.00 57.16 57.51 2r47 n GLU 70 Cb 0.48 -1.82 0.05 0.00 1.43 0.00 0.00 31.44 31.59 2r47 n GLU 70 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 2r47 n TYR 71 N -2.08 0.02 0.00 -1.84 4.01 -1.26 -5.08 117.16 110.92 2r47 n TYR 71 Ca 0.01 0.01 0.00 0.00 -0.16 0.00 0.00 57.90 57.75 2r47 n TYR 71 Cb 0.13 -0.14 0.00 0.00 -0.31 0.00 0.00 39.34 39.02 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 1.49 0.26 3.69 2.72 0.00 -0.89 -5.02 105.19 107.44 2r47 n GLY 72 Ca 0.04 -1.93 -0.41 0.00 0.00 0.00 0.00 46.02 43.72 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 -0.57 4.90 0.27 1.61 1.01 -1.26 0.20 120.40 126.56 2r47 s VAL 73 Ca 0.00 1.71 0.06 0.00 0.00 0.00 0.00 61.98 63.75 2r47 s VAL 73 Cb 0.00 -4.17 -0.06 0.00 0.00 0.00 0.00 36.38 32.15 2r47 s VAL 73 CO 0.00 0.09 -0.04 -1.61 0.00 0.00 0.00 175.10 173.54 2r47 s GLU 74 N 1.67 1.52 0.05 2.72 2.02 0.85 -4.91 118.70 122.61 2r47 s GLU 74 Ca 0.42 -1.77 -0.25 0.00 0.02 0.00 0.00 54.97 53.38 2r47 s GLU 74 Cb -0.18 -1.03 -0.05 0.00 0.10 0.00 0.00 34.13 32.97 2r47 s GLU 74 CO 0.17 -0.01 0.77 -0.51 0.02 0.00 0.00 175.26 175.70 2r47 s LEU 75 N -3.42 4.45 0.00 1.80 1.43 -1.26 -0.32 118.68 121.36 2r47 s LEU 75 Ca 0.30 1.45 0.00 0.00 -1.03 0.00 0.00 54.13 54.85 2r47 s LEU 75 Cb 0.05 -3.23 0.00 0.00 0.03 0.00 0.00 46.19 43.03 2r47 s LEU 75 CO 0.11 0.02 0.00 0.61 0.23 0.00 0.00 176.35 177.32 2r47 n GLY 76 N 2.38 3.81 3.80 -3.19 0.00 0.13 -4.89 105.19 107.23 2r47 n GLY 76 Ca -0.02 -1.50 -0.30 0.00 0.00 0.00 0.00 46.02 44.20 2r47 n GLY 76 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2r47 s GLU 77 N 4.91 2.44 0.14 1.61 -1.05 -1.26 -4.43 118.70 121.05 2r47 s GLU 77 Ca 0.00 0.83 -0.31 0.00 -0.15 0.00 0.00 54.97 55.33 2r47 s GLU 77 Cb 0.00 -1.94 -0.11 0.00 -0.44 0.00 0.00 34.13 31.64 2r47 s GLU 77 CO 0.00 -1.42 1.78 0.42 0.95 0.00 0.00 175.26 176.99 2r47 s ILE 78 N -3.08 2.47 -0.41 1.83 -1.09 -1.26 -1.32 121.20 118.34 2r47 s ILE 78 Ca 0.60 0.10 0.07 0.00 -2.23 0.00 0.00 60.65 59.19 2r47 s ILE 78 Cb -0.15 -3.06 0.24 0.00 -1.58 0.00 0.00 42.46 37.92 2r47 s ILE 78 CO 0.55 0.00 0.59 -1.54 -1.23 0.00 0.00 174.94 173.31 2r47 n SER 79 N 5.22 -0.56 -3.03 3.58 3.41 0.67 -4.85 113.62 118.04 2r47 n SER 79 Ca 0.17 -2.81 -0.33 0.00 -0.26 0.00 0.00 58.87 55.63 2r47 n SER 79 Cb 0.38 -0.07 -0.05 0.00 -0.26 0.00 0.00 64.21 64.20 2r47 n SER 79 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 2r47 n PRO 80 N 1.54 3.51 -1.80 4.33 -0.04 -1.25 -4.72 135.00 136.57 2r47 n PRO 80 Ca 0.19 -2.36 -0.30 0.00 -0.04 0.00 0.00 63.50 60.99 2r47 n PRO 80 Cb 0.55 -2.54 0.06 0.00 -0.04 0.00 0.00 33.50 31.53 2r47 n PRO 80 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 2r47 s GLY 81 N 1.43 1.63 0.55 0.55 0.00 -1.26 -4.99 107.32 105.22 2r47 s GLY 81 Ca 0.64 -0.31 -0.19 0.00 0.00 0.00 0.00 44.72 44.86 2r47 s GLY 81 CO -0.08 0.08 0.56 0.70 0.00 0.00 0.00 173.10 174.36 2r47 n ASN 82 N -3.12 -0.88 -4.36 1.64 4.13 -1.26 -5.01 115.26 106.40 2r47 n ASN 82 Ca 0.07 0.77 -0.20 0.00 1.68 0.00 0.00 54.58 56.90 2r47 n ASN 82 Cb 0.57 -1.18 -0.10 0.00 -1.54 0.00 0.00 39.78 37.53 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 -1.67 1.87 -0.81 2.41 -7.23 -0.02 -4.93 120.40 110.01 2r47 s VAL 83 Ca 0.68 -2.17 0.21 0.00 -1.81 0.00 0.00 61.98 58.90 2r47 s VAL 83 Cb -0.46 -2.03 -0.25 0.00 0.56 0.00 0.00 36.38 34.20 2r47 s VAL 83 CO 0.55 -0.49 0.81 -0.90 -0.31 0.00 0.00 175.10 174.75 2r47 n ASP 84 N -0.24 0.82 -3.82 4.85 5.68 0.23 -0.89 116.55 123.18 2r47 n ASP 84 Ca -0.09 -0.81 -0.21 0.00 -0.50 0.00 0.00 54.79 53.18 2r47 n ASP 84 Cb 0.59 1.18 -0.17 0.00 -1.14 0.00 0.00 41.12 41.59 2r47 n ASP 84 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 2r47 s VAL 85 N -3.07 0.41 -0.25 2.12 1.01 -1.04 -1.33 120.40 118.25 2r47 s VAL 85 Ca 0.05 0.03 -0.08 0.00 0.00 0.00 0.00 61.98 61.98 2r47 s VAL 85 Cb 0.15 -0.51 -0.04 0.00 0.00 0.00 0.00 36.38 35.99 2r47 s VAL 85 CO 0.86 0.23 0.11 -0.22 0.00 0.00 0.00 175.10 176.08 2r47 s LEU 86 N 1.49 3.68 -0.32 3.92 2.96 -0.53 -0.97 118.68 128.91 2r47 s LEU 86 Ca -0.02 -0.10 -0.07 0.00 -0.22 0.00 0.00 54.13 53.72 2r47 s LEU 86 Cb -0.13 -1.99 0.03 0.00 0.50 0.00 0.00 46.19 44.60 2r47 s LEU 86 CO -0.03 -0.01 0.09 -0.69 -1.32 0.00 0.00 176.35 174.40 2r47 s VAL 87 N 1.46 3.85 -0.02 1.68 1.01 0.20 -0.80 120.40 127.77 2r47 s VAL 87 Ca 0.06 -0.96 -0.26 0.00 0.00 0.00 0.00 61.98 60.82 2r47 s VAL 87 Cb -0.15 -3.10 -0.04 0.00 0.00 0.00 0.00 36.38 33.09 2r47 s VAL 87 CO 0.05 -0.07 0.80 -0.76 0.00 0.00 0.00 175.10 175.12 2r47 s LEU 88 N 1.44 4.36 0.12 3.92 1.43 0.36 -0.69 118.68 129.61 2r47 s LEU 88 Ca 0.00 1.38 -0.08 0.00 -1.03 0.00 0.00 54.13 54.40 2r47 s LEU 88 Cb -0.19 -3.26 -0.06 0.00 0.03 0.00 0.00 46.19 42.71 2r47 s LEU 88 CO 0.03 -0.14 0.41 -0.76 0.23 0.00 0.00 176.35 176.12 2r47 s LEU 89 N 0.70 4.30 0.55 1.79 1.43 -0.07 -1.18 118.68 126.20 2r47 s LEU 89 Ca 0.42 0.75 0.29 0.00 -1.03 0.00 0.00 54.13 54.56 2r47 s LEU 89 Cb -0.19 -3.16 1.46 0.00 0.03 0.00 0.00 46.19 44.32 2r47 s LEU 89 CO 0.22 0.11 1.93 1.23 0.23 0.00 0.00 176.35 180.07 2r47 h GLY 90 N 3.31 0.00 2.00 -3.19 0.00 -1.68 -1.94 103.07 101.58 2r47 h GLY 90 Ca -0.48 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 46.82 2r47 h GLY 90 CO 0.69 0.00 -0.13 -1.33 0.00 0.00 0.00 176.54 175.76 2r47 h GLY 91 N 0.00 0.00 2.00 4.60 0.00 -1.93 -1.57 103.07 106.17 2r47 h GLY 91 Ca 0.30 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.63 2r47 h GLY 91 CO -0.00 0.00 -0.01 1.41 0.00 0.00 0.00 176.54 177.94 2r47 h LEU 92 N 0.00 0.00 -1.04 3.11 3.38 -1.68 -1.88 115.31 117.20 2r47 h LEU 92 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2r47 h LEU 92 Cb 0.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.06 2r47 h LEU 92 CO 0.02 0.01 -0.10 -1.54 0.09 0.00 0.00 178.44 176.91 2r47 n SER 93 N -3.26 1.71 -4.80 -0.43 3.41 -0.59 -0.55 113.62 109.11 2r47 n SER 93 Ca -0.03 -1.45 -0.37 0.00 -0.26 0.00 0.00 58.87 56.76 2r47 n SER 93 Cb 0.10 0.07 -0.06 0.00 -0.26 0.00 0.00 64.21 64.06 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 -2.15 4.38 0.16 4.33 -1.94 -0.71 -4.90 119.30 118.47 2r47 s MET 94 Ca 0.31 0.99 -0.23 0.00 -1.71 0.00 0.00 55.69 55.06 2r47 s MET 94 Cb 0.20 -3.01 0.06 0.00 2.01 0.00 0.00 34.83 34.09 2r47 s MET 94 CO 0.39 0.46 1.60 -1.35 -0.01 0.00 0.00 175.02 176.11 2r47 h PRO 95 N 3.75 -0.24 0.06 2.03 0.11 -1.92 0.69 132.00 136.48 2r47 h PRO 95 Ca -0.48 0.02 -0.11 0.00 0.11 0.00 0.00 66.00 65.54 2r47 h PRO 95 Cb 1.20 0.05 0.01 0.00 0.11 0.00 0.00 31.00 32.37 2r47 h PRO 95 CO 0.65 -0.16 -0.52 0.78 -0.21 0.00 0.00 178.00 178.54 2r47 h GLY 96 N -0.25 0.15 1.44 -0.55 0.00 -1.95 -3.36 103.07 98.56 2r47 h GLY 96 Ca 0.17 -0.40 0.00 0.00 0.00 0.00 0.00 47.33 47.11 2r47 h GLY 96 CO -0.53 0.35 -0.50 0.16 0.00 0.00 0.00 176.54 176.02 2r47 h ILE 97 N -0.70 0.00 -3.77 2.60 3.07 -1.88 -3.49 117.51 113.34 2r47 h ILE 97 Ca -0.11 -0.77 -0.45 0.00 1.55 0.00 0.00 64.86 65.08 2r47 h ILE 97 Cb 1.33 1.48 0.13 0.00 -0.27 0.00 0.00 36.82 39.50 2r47 h ILE 97 CO 0.05 0.00 0.35 -0.83 -1.05 0.00 0.00 178.15 176.66 2r47 s GLY 98 N -3.99 1.74 0.00 0.16 0.00 0.23 -4.87 107.32 100.59 2r47 s GLY 98 Ca 0.05 -1.17 0.01 0.00 0.00 0.00 0.00 44.72 43.61 2r47 s GLY 98 CO 0.71 -0.52 0.02 -0.56 0.00 0.00 0.00 173.10 172.75 2r47 s SER 99 N -4.78 5.28 0.42 1.64 0.01 0.28 -4.94 113.70 111.62 2r47 s SER 99 Ca 0.69 0.03 -0.26 0.00 1.31 0.00 0.00 55.95 57.73 2r47 s SER 99 Cb -0.06 -1.42 -0.09 0.00 0.21 0.00 0.00 66.02 64.67 2r47 s SER 99 CO 0.50 0.27 1.35 -0.62 0.41 0.00 0.00 173.24 175.15 2r47 s ASP 100 N -1.63 6.16 0.47 2.44 -1.08 -1.26 -4.83 116.67 116.93 2r47 s ASP 100 Ca 0.21 2.74 0.15 0.00 -0.52 0.00 0.00 52.55 55.13 2r47 s ASP 100 Cb -0.12 -2.64 1.09 0.00 -1.46 0.00 0.00 42.92 39.79 2r47 s ASP 100 CO 0.11 -0.96 2.04 -0.29 0.52 0.00 0.00 175.17 176.59 2r47 h ILE 101 N 2.40 1.07 -0.22 4.11 6.09 -1.98 -1.21 117.51 127.78 2r47 h ILE 101 Ca -0.50 -0.47 -0.14 0.00 -1.37 0.00 0.00 64.86 62.39 2r47 h ILE 101 Cb 1.25 1.25 -0.01 0.00 0.47 0.00 0.00 36.82 39.79 2r47 h ILE 101 CO 0.62 0.13 -0.43 -0.33 -3.07 0.00 0.00 178.15 175.07 2r47 h GLU 102 N 0.00 0.54 -0.87 2.19 4.39 -1.99 -0.01 114.58 118.82 2r47 h GLU 102 Ca -0.00 -0.28 -0.02 0.00 0.34 0.00 0.00 59.36 59.39 2r47 h GLU 102 Cb 0.24 0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 28.86 2r47 h GLU 102 CO 0.02 0.87 0.46 -0.44 -1.16 0.00 0.00 179.01 178.75 2r47 h ASP 103 N 0.44 1.11 -0.30 1.42 3.32 -1.60 -0.54 116.42 120.26 2r47 h ASP 103 Ca 0.03 -0.11 -0.04 0.00 0.02 0.00 0.00 57.03 56.93 2r47 h ASP 103 Cb 0.93 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 40.19 2r47 h ASP 103 CO 0.08 0.90 0.04 0.58 -1.72 0.00 0.00 179.24 179.13 2r47 h VAL 104 N 1.23 1.24 -0.87 -1.35 2.07 -1.12 -0.34 116.25 117.11 2r47 h VAL 104 Ca 0.30 -0.83 0.00 0.00 0.82 0.00 0.00 66.70 67.00 2r47 h VAL 104 Cb 0.06 1.20 -0.04 0.00 -1.52 0.00 0.00 31.29 30.99 2r47 h VAL 104 CO -0.05 0.27 0.56 0.11 0.02 0.00 0.00 177.57 178.48 2r47 h LYS 105 N 0.32 1.15 -0.64 1.57 1.57 -0.79 -0.00 116.57 119.75 2r47 h LYS 105 Ca 0.09 -0.08 -0.07 0.00 -1.87 0.00 0.00 60.65 58.72 2r47 h LYS 105 Cb 0.36 -0.25 -0.03 0.00 0.08 0.00 0.00 32.23 32.39 2r47 h LYS 105 CO 0.01 0.78 0.12 -0.22 -0.57 0.00 0.00 179.45 179.56 2r47 h LYS 106 N 1.18 1.05 -0.57 3.15 1.63 -0.92 -0.64 116.57 121.46 2r47 h LYS 106 Ca 0.32 -0.28 0.06 0.00 -0.85 0.00 0.00 60.65 59.90 2r47 h LYS 106 Cb -0.11 -0.13 -0.05 0.00 -0.60 0.00 0.00 32.23 31.34 2r47 h LYS 106 CO -0.07 0.97 0.28 1.25 -3.45 0.00 0.00 179.45 178.44 2r47 h LEU 107 N 0.97 0.40 -0.59 5.20 5.85 -0.48 0.11 115.31 126.77 2r47 h LEU 107 Ca 0.20 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.94 2r47 h LEU 107 Cb 0.42 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.38 2r47 h LEU 107 CO 0.01 0.27 0.30 0.58 -0.34 0.00 0.00 178.44 179.26 2r47 h VAL 108 N 0.54 1.20 -0.62 1.05 2.07 -0.53 0.16 116.25 120.11 2r47 h VAL 108 Ca 0.26 -0.54 -0.08 0.00 0.82 0.00 0.00 66.70 67.16 2r47 h VAL 108 Cb 0.18 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 30.41 2r47 h VAL 108 CO -0.19 0.22 0.07 -0.08 0.02 0.00 0.00 177.57 177.62 2r47 h GLU 109 N 0.79 1.03 -0.03 1.57 4.57 -0.81 -2.31 114.58 119.39 2r47 h GLU 109 Ca 0.20 -0.28 -0.17 0.00 -1.18 0.00 0.00 59.36 57.93 2r47 h GLU 109 Cb 0.08 -0.12 0.01 0.00 -0.16 0.00 0.00 28.75 28.57 2r47 h GLU 109 CO -0.03 0.97 -0.65 -0.44 -1.18 0.00 0.00 179.01 177.67 2r47 h ASP 110 N 0.96 0.63 0.14 1.04 3.32 -0.47 -3.39 116.42 118.64 2r47 h ASP 110 Ca 0.19 -0.72 -0.31 0.00 0.02 0.00 0.00 57.03 56.21 2r47 h ASP 110 Cb 0.46 -0.19 -0.06 0.00 0.22 0.00 0.00 39.33 39.76 2r47 h ASP 110 CO 0.02 1.26 -2.16 0.00 -1.72 0.00 0.00 179.24 176.64 2r47 n ALA 111 N -2.59 1.66 -2.62 3.45 0.00 0.50 -4.85 120.51 116.06 2r47 n ALA 111 Ca -0.10 -1.10 -0.41 0.00 0.00 0.00 0.00 53.44 51.84 2r47 n ALA 111 Cb 0.69 -0.41 -0.06 0.00 0.00 0.00 0.00 19.45 19.66 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 -5.53 4.06 0.80 0.00 2.96 -0.87 -0.84 118.68 119.26 2r47 s LEU 112 Ca -0.08 0.69 -0.14 0.00 -0.22 0.00 0.00 54.13 54.37 2r47 s LEU 112 Cb 0.07 -2.84 0.04 0.00 0.50 0.00 0.00 46.19 43.97 2r47 s LEU 112 CO 0.84 -0.37 0.94 -0.62 -1.32 0.00 0.00 176.35 175.81 2r47 n GLU 113 N 5.71 0.17 -1.70 1.98 1.02 -0.07 -4.85 120.64 122.91 2r47 n GLU 113 Ca -0.01 0.12 -0.44 0.00 -0.02 0.00 0.00 57.16 56.82 2r47 n GLU 113 Cb 0.49 -2.22 -0.03 0.00 -0.02 0.00 0.00 31.44 29.66 2r47 n GLU 113 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 2r47 n GLU 114 N -2.41 2.46 -0.93 3.49 2.13 -1.26 -0.94 120.64 123.18 2r47 n GLU 114 Ca 0.12 0.89 0.00 0.00 0.66 0.00 0.00 57.16 58.82 2r47 n GLU 114 Cb 0.51 -2.68 0.00 0.00 0.27 0.00 0.00 31.44 29.54 2r47 n GLU 114 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2r47 n GLY 115 N 3.39 0.88 3.77 8.31 0.00 -1.26 -5.03 105.19 115.24 2r47 n GLY 115 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.95 1.59 -0.10 -0.02 0.00 -0.11 -5.06 107.32 101.67 2r47 s GLY 116 Ca 0.00 -0.37 -0.03 0.00 0.00 0.00 0.00 44.72 44.32 2r47 s GLY 116 CO 0.00 0.16 0.03 -0.54 0.00 0.00 0.00 173.10 172.75 2r47 s GLU 117 N -5.16 3.15 -0.25 2.90 2.02 -0.44 -4.99 118.70 115.93 2r47 s GLU 117 Ca 0.63 -0.36 -0.09 0.00 0.02 0.00 0.00 54.97 55.17 2r47 s GLU 117 Cb -0.16 -2.89 -0.04 0.00 0.10 0.00 0.00 34.13 31.14 2r47 s GLU 117 CO 0.55 0.67 0.13 -1.17 0.02 0.00 0.00 175.26 175.46 2r47 s LEU 118 N -0.79 3.83 0.26 1.80 2.96 -1.26 -1.46 118.68 124.03 2r47 s LEU 118 Ca 0.12 -0.03 0.09 0.00 -0.22 0.00 0.00 54.13 54.10 2r47 s LEU 118 Cb -0.12 -2.03 -0.05 0.00 0.50 0.00 0.00 46.19 44.49 2r47 s LEU 118 CO 0.02 0.01 -0.14 -0.04 -1.32 0.00 0.00 176.35 174.89 2r47 s MET 119 N 1.35 1.55 -0.01 1.98 -1.94 0.02 0.22 119.30 122.47 2r47 s MET 119 Ca 0.06 -1.73 0.03 0.00 -1.71 0.00 0.00 55.69 52.34 2r47 s MET 119 Cb -0.15 -1.42 -0.01 0.00 2.01 0.00 0.00 34.83 35.27 2r47 s MET 119 CO 0.06 0.20 -0.11 0.20 -0.01 0.00 0.00 175.02 175.35 2r47 s GLY 120 N -3.44 0.57 -0.18 -0.03 0.00 -0.43 -0.49 107.32 103.32 2r47 s GLY 120 Ca 0.28 -0.47 0.00 0.00 0.00 0.00 0.00 44.72 44.53 2r47 s GLY 120 CO 0.12 -0.34 -0.11 -2.27 0.00 0.00 0.00 173.10 170.50 2r47 s LEU 121 N -0.16 1.98 0.29 0.66 2.96 -0.33 -0.82 118.68 123.26 2r47 s LEU 121 Ca 0.03 -0.72 -0.00 0.00 -0.22 0.00 0.00 54.13 53.21 2r47 s LEU 121 Cb -0.06 -1.17 -0.02 0.00 0.50 0.00 0.00 46.19 45.45 2r47 s LEU 121 CO -0.00 -0.12 0.33 0.00 -1.32 0.00 0.00 176.35 175.23 2r47 s TYR 123 N -3.58 2.16 -1.42 0.00 2.02 -1.26 -1.17 117.35 114.10 2r47 s TYR 123 Ca 0.35 -0.39 -0.03 0.00 -0.37 0.00 0.00 57.07 56.63 2r47 s TYR 123 Cb 0.02 -1.13 0.01 0.00 -0.40 0.00 0.00 41.96 40.46 2r47 s TYR 123 CO 0.19 0.36 0.22 -1.33 -1.57 0.00 0.00 175.55 173.42 2r47 n MET 124 N 0.70 -2.89 -2.74 -0.62 2.81 -0.15 -2.16 117.12 112.07 2r47 n MET 124 Ca -0.16 0.77 -0.19 0.00 -1.81 0.00 0.00 57.70 56.31 2r47 n MET 124 Cb 0.54 -5.47 0.02 0.00 -0.71 0.00 0.00 33.22 27.60 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 -2.11 -5.48 -0.18 7.83 2.03 -1.26 -4.90 116.55 112.48 2r47 n ASP 125 Ca -0.15 -0.18 -0.03 0.00 0.52 0.00 0.00 54.79 54.96 2r47 n ASP 125 Cb 0.63 -4.39 0.07 0.00 -0.72 0.00 0.00 41.12 36.71 2r47 n ASP 125 CO 0.00 0.00 0.00 -0.03 -1.92 0.00 0.00 177.20 175.25 2r47 h MET 126 N -0.83 0.42 -0.17 -0.67 1.85 -1.79 -1.10 114.93 112.63 2r47 h MET 126 Ca -0.45 -0.03 -0.03 0.00 -0.61 0.00 0.00 59.70 58.58 2r47 h MET 126 Cb 1.32 -0.09 -0.01 0.00 0.43 0.00 0.00 31.60 33.25 2r47 h MET 126 CO 0.50 0.28 -0.03 0.74 -0.40 0.00 0.00 176.91 178.00 2r47 h PHE 127 N 0.43 0.35 -0.29 1.39 0.04 -1.89 -0.67 116.94 116.31 2r47 h PHE 127 Ca 0.25 -0.07 -0.00 0.00 2.80 0.00 0.00 57.97 60.95 2r47 h PHE 127 Cb 0.24 -0.09 -0.01 0.00 2.20 0.00 0.00 35.95 38.29 2r47 h PHE 127 CO -0.14 0.57 0.18 0.00 -0.60 0.00 0.00 178.31 178.32 2r47 h ALA 128 N 0.74 0.37 -0.17 2.45 0.00 -1.90 -1.34 119.26 119.42 2r47 h ALA 128 Ca 0.05 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2r47 h ALA 128 Cb 0.44 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 2r47 h ALA 128 CO 0.01 -0.13 0.04 0.00 0.00 0.00 0.00 179.25 179.17 2r47 h ARG 129 N 0.38 0.23 0.00 0.00 3.08 -1.04 -1.97 114.38 115.05 2r47 h ARG 129 Ca 0.10 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.13 2r47 h ARG 129 Cb 0.00 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.01 2r47 h ARG 129 CO -0.02 0.22 0.00 0.00 -1.07 0.00 0.00 179.97 179.10 2r47 n ALA 130 N -2.50 2.01 -0.60 0.04 0.00 -0.27 -4.90 120.51 114.28 2r47 n ALA 130 Ca -0.00 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.36 2r47 n ALA 130 Cb 0.14 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.23 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 0.74 0.75 0.28 0.00 0.00 -0.74 -4.96 105.19 101.25 2r47 n GLY 131 Ca 0.06 0.00 0.17 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 -1.44 -1.52 115.95 118.66 2r47 h TRP 132 Ca 0.00 0.00 -0.05 0.00 2.06 0.00 0.00 58.89 60.90 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 0.04 -0.23 1.88 -3.56 0.00 0.00 178.44 176.57 2r47 h TYR 133 N 0.00 0.00 0.00 0.49 0.05 -1.83 -0.09 116.97 115.58 2r47 h TYR 133 Ca -0.00 0.00 -0.20 0.00 0.05 0.00 0.00 58.73 58.58 2r47 h TYR 133 Cb 0.48 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 38.18 2r47 h TYR 133 CO 0.00 0.23 -1.36 0.93 -1.05 0.00 0.00 178.16 176.91 2r47 h GLU 134 N 0.00 0.00 0.00 4.88 5.08 -1.56 -0.46 114.58 122.51 2r47 h GLU 134 Ca -0.00 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.15 2r47 h GLU 134 Cb 0.50 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.72 2r47 h GLU 134 CO 0.03 0.44 -1.30 -0.07 -1.00 0.00 0.00 179.01 177.11 2r47 h LEU 135 N 0.00 0.00 -8.81 1.33 3.38 -1.12 -3.42 115.31 106.67 2r47 h LEU 135 Ca -0.17 0.00 -0.41 0.00 0.09 0.00 0.00 57.88 57.40 2r47 h LEU 135 Cb 1.70 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 42.31 2r47 h LEU 135 CO 0.07 0.77 -0.73 -0.76 0.09 0.00 0.00 178.44 177.88 2r47 s LEU 136 N -6.14 2.55 -1.05 1.67 1.43 -0.08 -4.98 118.68 112.07 2r47 s LEU 136 Ca -0.02 -1.02 -0.05 0.00 -1.03 0.00 0.00 54.13 52.01 2r47 s LEU 136 Cb 0.09 -0.56 0.29 0.00 0.03 0.00 0.00 46.19 46.03 2r47 s LEU 136 CO 0.81 -0.23 1.23 -0.67 0.23 0.00 0.00 176.35 177.72 2r47 n ASP 137 N -0.32 5.70 -4.76 2.29 2.03 -1.26 -1.40 116.55 118.84 2r47 n ASP 137 Ca -0.09 -3.24 -0.41 0.00 0.52 0.00 0.00 54.79 51.57 2r47 n ASP 137 Cb 0.60 -1.26 -0.02 0.00 -0.72 0.00 0.00 41.12 39.73 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 -2.05 2.99 0.03 -0.67 0.40 -1.26 -4.77 117.98 112.66 2r47 s PHE 138 Ca 0.31 1.25 0.01 0.00 -0.60 0.00 0.00 56.93 57.90 2r47 s PHE 138 Cb -0.02 -3.77 -0.26 0.00 0.51 0.00 0.00 43.02 39.49 2r47 s PHE 138 CO 0.00 -2.27 0.96 -0.44 0.70 0.00 0.00 175.22 174.17 2r47 h ASP 139 N 3.97 0.25 -3.76 1.36 3.32 -0.62 -3.46 116.42 117.46 2r47 h ASP 139 Ca -0.48 -0.33 -0.09 0.00 0.02 0.00 0.00 57.03 56.15 2r47 h ASP 139 Cb 1.22 -0.08 -0.23 0.00 0.22 0.00 0.00 39.33 40.46 2r47 h ASP 139 CO 0.70 1.27 -0.13 0.00 -1.72 0.00 0.00 179.24 179.36 2r47 s VAL 141 N 0.52 1.16 -0.17 0.00 1.01 -1.26 -1.32 120.40 120.35 2r47 s VAL 141 Ca -0.02 -0.58 0.00 0.00 0.00 0.00 0.00 61.98 61.38 2r47 s VAL 141 Cb -0.04 -1.00 0.00 0.00 0.00 0.00 0.00 36.38 35.34 2r47 s VAL 141 CO -0.03 0.34 -0.15 -0.63 0.00 0.00 0.00 175.10 174.63 2r47 s ILE 142 N 0.03 2.58 -0.08 2.22 1.01 -0.00 -4.96 121.20 122.00 2r47 s ILE 142 Ca -0.02 -0.79 0.05 0.00 0.00 0.00 0.00 60.65 59.89 2r47 s ILE 142 Cb -0.10 -2.10 -0.00 0.00 0.01 0.00 0.00 42.46 40.27 2r47 s ILE 142 CO 0.01 0.51 -0.24 0.21 0.00 0.00 0.00 174.94 175.43 2r47 s ASN 143 N 1.00 3.00 0.05 3.58 2.47 -1.26 -1.64 114.94 122.15 2r47 s ASN 143 Ca -0.02 -0.52 0.09 0.00 0.42 0.00 0.00 52.86 52.83 2r47 s ASN 143 Cb -0.15 -1.11 -0.03 0.00 -1.45 0.00 0.00 41.25 38.51 2r47 s ASN 143 CO -0.03 0.19 -0.24 0.00 -3.72 0.00 0.00 177.10 173.30 2r47 s ALA 144 N 0.12 2.38 0.05 1.71 0.00 -0.31 -4.97 121.76 120.73 2r47 s ALA 144 Ca -0.12 -1.27 0.03 0.00 0.00 0.00 0.00 51.96 50.61 2r47 s ALA 144 Cb -0.16 -0.55 -0.04 0.00 0.00 0.00 0.00 23.12 22.37 2r47 s ALA 144 CO 0.06 0.55 0.02 -0.51 0.00 0.00 0.00 175.76 175.88 2r47 s ASP 145 N -1.40 5.20 -0.06 0.00 1.01 -1.26 -0.98 116.67 119.18 2r47 s ASP 145 Ca 0.13 -0.06 0.05 0.00 0.71 0.00 0.00 52.55 53.38 2r47 s ASP 145 Cb -0.10 -1.33 -0.00 0.00 1.01 0.00 0.00 42.92 42.49 2r47 s ASP 145 CO 0.04 0.22 -0.21 -0.63 0.21 0.00 0.00 175.17 174.79 2r47 s ILE 146 N -1.24 1.77 0.05 0.77 -1.09 -1.26 -5.00 121.20 115.20 2r47 s ILE 146 Ca 0.24 -0.89 -0.04 0.00 -2.23 0.00 0.00 60.65 57.73 2r47 s ILE 146 Cb -0.12 -1.51 -0.02 0.00 -1.58 0.00 0.00 42.46 39.23 2r47 s ILE 146 CO 0.16 0.50 0.06 -1.81 -1.23 0.00 0.00 174.94 172.62 2r47 s ASP 147 N 0.04 0.29 0.00 3.58 1.11 -1.26 -5.09 116.67 115.34 2r47 s ASP 147 Ca -0.07 -0.73 0.00 0.00 0.18 0.00 0.00 52.55 51.93 2r47 s ASP 147 Cb -0.14 0.23 0.00 0.00 1.07 0.00 0.00 42.92 44.08 2r47 s ASP 147 CO 0.04 -0.57 0.00 0.61 1.18 0.00 0.00 175.17 176.43 2r47 n GLY 148 N 0.41 1.64 3.02 0.21 0.00 -1.26 -5.17 105.19 104.04 2r47 n GLY 148 Ca -0.17 -0.85 -0.10 0.00 0.00 0.00 0.00 46.02 44.91 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 -4.98 0.21 -0.09 1.61 2.02 -1.26 -5.15 117.35 109.70 2r47 s TYR 149 Ca 0.00 -0.44 -0.00 0.00 -0.37 0.00 0.00 57.07 56.26 2r47 s TYR 149 Cb 0.00 -0.16 -0.03 0.00 -0.40 0.00 0.00 41.96 41.38 2r47 s TYR 149 CO 0.00 -0.23 -0.07 0.08 -1.57 0.00 0.00 175.55 173.77 2r47 s VAL 150 N -1.55 3.71 0.11 0.71 1.01 -1.26 -5.13 120.40 118.00 2r47 s VAL 150 Ca -0.15 -0.46 0.08 0.00 0.00 0.00 0.00 61.98 61.46 2r47 s VAL 150 Cb -0.09 -2.54 -0.04 0.00 0.00 0.00 0.00 36.38 33.71 2r47 s VAL 150 CO -0.01 0.57 -0.21 -0.76 0.00 0.00 0.00 175.10 174.69 2r47 s LEU 151 N -0.45 2.32 -0.02 3.92 1.02 -1.26 -5.15 118.68 119.06 2r47 s LEU 151 Ca 0.07 -0.71 0.07 0.00 0.02 0.00 0.00 54.13 53.58 2r47 s LEU 151 Cb -0.12 -0.90 -0.02 0.00 0.02 0.00 0.00 46.19 45.17 2r47 s LEU 151 CO 0.02 0.06 -0.24 -0.13 0.02 0.00 0.00 176.35 176.08 2r47 s ARG 152 N -2.03 1.97 0.00 1.70 0.52 -1.26 -5.37 118.95 114.47 2r47 s ARG 152 Ca 0.08 -0.86 0.12 0.00 -0.52 0.00 0.00 55.73 54.56 2r47 s ARG 152 Cb -0.09 -1.89 0.10 0.00 0.52 0.00 0.00 34.95 33.59 2r47 s ARG 152 CO 0.05 0.51 0.89 0.41 0.02 0.00 0.00 175.30 177.18