#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 2.65 -4.31 1.61 -0.00 -1.26 -4.72 115.22 109.19 2r47 n HIS 0 Ca 0.00 0.09 -0.34 0.00 -0.00 0.00 0.00 57.72 57.47 2r47 n HIS 0 Cb 0.00 -2.65 -0.13 0.00 -0.00 0.00 0.00 29.99 27.21 2r47 n HIS 0 CO 0.00 0.00 0.00 -1.64 -0.00 0.00 0.00 176.34 174.70 2r47 s MET 1 N 1.10 3.51 -0.15 1.57 1.00 -1.26 -5.08 119.30 119.98 2r47 s MET 1 Ca 0.76 -0.59 -0.05 0.00 0.00 0.00 0.00 55.69 55.81 2r47 s MET 1 Cb -0.54 -2.89 -0.03 0.00 0.00 0.00 0.00 34.83 31.36 2r47 s MET 1 CO 0.34 0.08 0.00 -2.00 0.00 0.00 0.00 175.02 173.43 2r47 s GLU 2 N 0.77 3.65 0.12 2.03 2.56 -1.26 -5.08 118.70 121.50 2r47 s GLU 2 Ca -0.02 -0.44 -0.31 0.00 0.00 0.00 0.00 54.97 54.20 2r47 s GLU 2 Cb -0.15 -2.99 -0.10 0.00 2.00 0.00 0.00 34.13 32.89 2r47 s GLU 2 CO 0.02 0.34 1.72 0.15 -0.56 0.00 0.00 175.26 176.92 2r47 s LYS 3 N 0.13 4.17 -0.22 4.30 1.02 -1.26 -4.91 119.74 122.98 2r47 s LYS 3 Ca 0.01 2.47 -0.16 0.00 0.02 0.00 0.00 55.97 58.32 2r47 s LYS 3 Cb -0.13 -3.46 -0.11 0.00 -0.52 0.00 0.00 37.83 33.61 2r47 s LYS 3 CO 0.02 -0.76 -0.18 -0.11 -0.92 0.00 0.00 175.35 173.40 2r47 n LEU 4 N 5.15 1.90 -3.82 3.17 7.94 -1.26 -5.08 117.00 125.00 2r47 n LEU 4 Ca 0.16 0.41 -0.06 0.00 -1.11 0.00 0.00 56.01 55.41 2r47 n LEU 4 Cb 0.39 -0.85 -0.01 0.00 0.53 0.00 0.00 43.42 43.48 2r47 n LEU 4 CO 0.64 0.14 0.58 -1.59 -1.11 0.00 0.00 177.39 176.05 2r47 s LYS 5 N -2.51 1.65 0.23 1.96 -2.85 -1.26 -5.17 119.74 111.78 2r47 s LYS 5 Ca -0.30 -0.95 0.08 0.00 -1.00 0.00 0.00 55.97 53.80 2r47 s LYS 5 Cb 0.08 0.54 -0.04 0.00 -2.06 0.00 0.00 37.83 36.35 2r47 s LYS 5 CO 0.46 -0.76 0.04 -1.21 0.10 0.00 0.00 175.35 173.98 2r47 s GLU 6 N -3.34 2.48 0.14 1.78 2.02 -1.26 -5.12 118.70 115.41 2r47 s GLU 6 Ca 0.13 -1.23 -0.05 0.00 0.02 0.00 0.00 54.97 53.84 2r47 s GLU 6 Cb -0.04 -2.32 -0.02 0.00 0.10 0.00 0.00 34.13 31.84 2r47 s GLU 6 CO 0.06 0.40 0.16 -0.59 0.02 0.00 0.00 175.26 175.31 2r47 s PHE 7 N -2.08 0.62 -0.09 1.61 -0.12 -1.26 -5.14 117.98 111.52 2r47 s PHE 7 Ca 0.30 -0.99 -0.06 0.00 -0.05 0.00 0.00 56.93 56.13 2r47 s PHE 7 Cb -0.08 -0.27 0.03 0.00 -0.63 0.00 0.00 43.02 42.07 2r47 s PHE 7 CO 0.21 -0.60 0.21 0.50 -0.05 0.00 0.00 175.22 175.49 2r47 s ARG 8 N -4.00 0.21 0.00 1.99 3.52 -1.26 -5.00 118.95 114.42 2r47 s ARG 8 Ca 0.20 0.38 0.00 0.00 -0.13 0.00 0.00 55.73 56.18 2r47 s ARG 8 Cb 0.06 0.01 0.00 0.00 -1.56 0.00 0.00 34.95 33.45 2r47 s ARG 8 CO 0.00 -0.09 0.00 0.41 -0.81 0.00 0.00 175.30 174.81 2r47 n GLY 9 N 3.53 -1.09 0.25 8.12 0.00 -1.26 -4.18 105.19 110.56 2r47 n GLY 9 Ca -0.18 -1.60 -0.08 0.00 0.00 0.00 0.00 46.02 44.15 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 1.23 -0.59 -0.61 1.08 -2.00 -1.89 117.51 114.73 2r47 h ILE 10 Ca 0.00 -0.76 0.07 0.00 -0.39 0.00 0.00 64.86 63.77 2r47 h ILE 10 Cb 0.00 0.72 -0.06 0.00 -3.07 0.00 0.00 36.82 34.41 2r47 h ILE 10 CO 0.00 0.29 0.28 0.11 -0.69 0.00 0.00 178.15 178.13 2r47 h LYS 11 N 0.74 0.50 -0.06 2.37 1.57 -2.00 -1.28 116.57 118.41 2r47 h LYS 11 Ca 0.17 -0.03 -0.16 0.00 -1.87 0.00 0.00 60.65 58.77 2r47 h LYS 11 Cb 0.26 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 2r47 h LYS 11 CO -0.01 0.33 -0.66 0.93 -0.57 0.00 0.00 179.45 179.47 2r47 h GLU 12 N 0.51 0.24 -0.06 3.15 5.08 -1.70 -1.10 114.58 120.70 2r47 h GLU 12 Ca 0.28 -0.18 0.01 0.00 -1.00 0.00 0.00 59.36 58.47 2r47 h GLU 12 Cb 0.24 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 2r47 h GLU 12 CO -0.22 0.81 0.00 1.25 -1.00 0.00 0.00 179.01 179.85 2r47 h HIS 13 N 0.17 0.00 -0.73 4.33 2.76 -0.84 -0.70 115.15 120.14 2r47 h HIS 13 Ca -0.01 0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.14 2r47 h HIS 13 Cb 1.19 0.01 -0.03 0.00 1.55 0.00 0.00 27.41 30.12 2r47 h HIS 13 CO 0.02 -0.00 0.39 -0.07 -1.30 0.00 0.00 177.93 176.97 2r47 h LEU 14 N 0.02 0.92 -0.57 0.26 3.38 -1.19 -2.97 115.31 115.16 2r47 h LEU 14 Ca 0.03 -0.10 0.01 0.00 0.09 0.00 0.00 57.88 57.90 2r47 h LEU 14 Cb 0.03 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.51 2r47 h LEU 14 CO -0.04 0.76 0.38 1.23 0.09 0.00 0.00 178.44 180.86 2r47 h GLY 15 N 1.01 0.81 2.00 0.83 0.00 -0.85 0.38 103.07 107.24 2r47 h GLY 15 Ca 0.26 -0.30 -0.07 0.00 0.00 0.00 0.00 47.33 47.22 2r47 h GLY 15 CO -0.04 0.29 -0.32 -0.39 0.00 0.00 0.00 176.54 176.08 2r47 h VAL 16 N 0.77 1.22 -0.06 4.60 -1.51 -1.13 -0.77 116.25 119.37 2r47 h VAL 16 Ca 0.21 -1.11 -0.02 0.00 -1.23 0.00 0.00 66.70 64.56 2r47 h VAL 16 Cb -0.08 1.60 -0.00 0.00 -2.13 0.00 0.00 31.29 30.68 2r47 h VAL 16 CO -0.05 0.31 -0.02 0.15 -1.23 0.00 0.00 177.57 176.73 2r47 h PHE 17 N 0.00 0.14 -0.96 5.19 3.57 -1.27 -1.00 116.94 122.61 2r47 h PHE 17 Ca -0.00 -0.03 0.13 0.00 3.53 0.00 0.00 57.97 61.60 2r47 h PHE 17 Cb 0.57 -0.03 -0.09 0.00 2.79 0.00 0.00 35.95 39.19 2r47 h PHE 17 CO 0.00 0.49 0.58 0.00 -2.23 0.00 0.00 178.31 177.15 2r47 h ARG 18 N -0.25 0.86 -0.29 1.11 3.08 -0.48 -0.90 114.38 117.50 2r47 h ARG 18 Ca 0.01 -0.05 -0.04 0.00 0.07 0.00 0.00 59.98 59.98 2r47 h ARG 18 Cb 0.45 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.29 2r47 h ARG 18 CO 0.01 0.57 0.04 0.93 -1.07 0.00 0.00 179.97 180.45 2r47 h GLU 19 N 0.88 0.49 -0.88 0.04 5.08 -1.09 -2.58 114.58 116.52 2r47 h GLU 19 Ca 0.49 -0.14 0.04 0.00 -1.00 0.00 0.00 59.36 58.75 2r47 h GLU 19 Cb 0.56 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.70 2r47 h GLU 19 CO -0.29 0.60 0.58 0.00 -1.00 0.00 0.00 179.01 178.90 2r47 h ALA 20 N 0.87 1.45 -0.52 3.43 0.00 0.01 -2.96 119.26 121.54 2r47 h ALA 20 Ca 0.09 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 2r47 h ALA 20 Cb 0.36 -0.31 -0.06 0.00 0.00 0.00 0.00 17.79 17.78 2r47 h ALA 20 CO 0.01 0.46 0.09 1.33 0.00 0.00 0.00 179.25 181.15 2r47 n VAL 21 N -4.45 2.67 -0.15 0.00 0.24 -0.46 -4.74 118.33 111.43 2r47 n VAL 21 Ca 0.12 -1.78 0.10 0.00 -2.04 0.00 0.00 64.34 60.74 2r47 n VAL 21 Cb 0.11 -0.31 0.42 0.00 -1.47 0.00 0.00 33.84 32.60 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 2.52 0.57 -0.16 7.34 2.10 -1.28 -1.34 116.57 126.32 2r47 h LYS 22 Ca 0.12 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.74 2r47 h LYS 22 Cb 1.92 -0.13 0.00 0.00 -0.90 0.00 0.00 32.23 33.12 2r47 h LYS 22 CO 0.49 0.38 0.00 -0.25 -2.00 0.00 0.00 179.45 178.07 2r47 n ASP 23 N -4.49 2.46 -4.84 7.07 8.00 -1.26 -4.96 116.55 118.53 2r47 n ASP 23 Ca 0.11 -1.82 -0.33 0.00 0.71 0.00 0.00 54.79 53.47 2r47 n ASP 23 Cb 0.34 -0.10 -0.06 0.00 -0.02 0.00 0.00 41.12 41.28 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 -1.81 3.17 -0.24 2.24 0.00 -0.51 -5.00 121.76 119.61 2r47 s ALA 24 Ca 0.34 0.21 0.03 0.00 0.00 0.00 0.00 51.96 52.54 2r47 s ALA 24 Cb 0.20 -2.98 -0.16 0.00 0.00 0.00 0.00 23.12 20.18 2r47 s ALA 24 CO 0.30 0.17 -0.19 0.39 0.00 0.00 0.00 175.76 176.43 2r47 n GLU 25 N -0.66 0.63 -3.81 0.00 1.02 -1.26 -4.97 120.64 111.59 2r47 n GLU 25 Ca 0.05 0.13 -0.22 0.00 -0.02 0.00 0.00 57.16 57.10 2r47 n GLU 25 Cb 0.54 -1.48 -0.17 0.00 -0.02 0.00 0.00 31.44 30.30 2r47 n GLU 25 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2r47 s ARG 26 N -2.48 0.51 -0.08 3.49 0.52 -1.26 -1.70 118.95 117.96 2r47 s ARG 26 Ca -0.31 0.12 0.02 0.00 -0.52 0.00 0.00 55.73 55.04 2r47 s ARG 26 Cb 0.08 -0.86 -0.02 0.00 0.52 0.00 0.00 34.95 34.67 2r47 s ARG 26 CO 0.57 -0.27 -0.13 0.42 0.02 0.00 0.00 175.30 175.91 2r47 s ILE 27 N 1.82 3.15 -0.10 1.52 -1.09 -0.71 -1.23 121.20 124.55 2r47 s ILE 27 Ca 0.02 -0.67 0.02 0.00 -2.23 0.00 0.00 60.65 57.80 2r47 s ILE 27 Cb -0.13 -2.27 -0.01 0.00 -1.58 0.00 0.00 42.46 38.48 2r47 s ILE 27 CO -0.04 0.57 -0.18 -0.83 -1.23 0.00 0.00 174.94 173.23 2r47 s GLY 28 N -0.42 1.44 -0.19 6.18 0.00 -0.50 -1.02 107.32 112.81 2r47 s GLY 28 Ca 0.05 -0.95 -0.03 0.00 0.00 0.00 0.00 44.72 43.80 2r47 s GLY 28 CO 0.02 -0.37 -0.07 -1.36 0.00 0.00 0.00 173.10 171.32 2r47 s PHE 29 N 0.15 2.92 -0.16 1.90 0.08 0.18 -0.18 117.98 122.86 2r47 s PHE 29 Ca -0.10 -0.82 -0.02 0.00 0.12 0.00 0.00 56.93 56.11 2r47 s PHE 29 Cb -0.16 -2.01 -0.01 0.00 -0.57 0.00 0.00 43.02 40.28 2r47 s PHE 29 CO 0.06 -0.41 -0.10 0.00 -0.10 0.00 0.00 175.22 174.67 2r47 s ALA 30 N 1.03 2.69 0.24 5.36 0.00 0.14 0.13 121.76 131.35 2r47 s ALA 30 Ca 0.00 -0.99 -0.21 0.00 0.00 0.00 0.00 51.96 50.76 2r47 s ALA 30 Cb -0.15 -1.39 0.07 0.00 0.00 0.00 0.00 23.12 21.65 2r47 s ALA 30 CO -0.01 -0.00 0.95 0.20 0.00 0.00 0.00 175.76 176.90 2r47 s GLY 31 N 0.76 0.11 -0.10 0.00 0.00 -0.78 -0.89 107.32 106.42 2r47 s GLY 31 Ca -0.04 -0.36 -0.30 0.00 0.00 0.00 0.00 44.72 44.02 2r47 s GLY 31 CO 0.01 1.19 1.30 0.14 0.00 0.00 0.00 173.10 175.74 2r47 s VAL 32 N -2.47 4.13 0.24 1.40 1.01 -1.26 -0.64 120.40 122.80 2r47 s VAL 32 Ca 0.18 1.41 -0.30 0.00 0.00 0.00 0.00 61.98 63.27 2r47 s VAL 32 Cb -0.03 -3.91 -0.15 0.00 0.00 0.00 0.00 36.38 32.29 2r47 s VAL 32 CO 0.06 -0.07 1.11 -2.65 0.00 0.00 0.00 175.10 173.55 2r47 n PRO 33 N 6.08 1.35 0.00 2.72 -0.02 -1.26 -3.32 135.00 140.55 2r47 n PRO 33 Ca 0.13 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 62.09 2r47 n PRO 33 Cb 0.45 -1.93 0.00 0.00 -0.02 0.00 0.00 33.50 32.00 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 1.65 1.86 0.00 -1.23 0.00 -1.26 -4.82 105.19 101.38 2r47 n GLY 34 Ca 0.12 -0.58 0.02 0.00 0.00 0.00 0.00 46.02 45.58 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 0.00 0.00 1.61 0.24 -1.22 -4.47 118.33 114.49 2r47 n VAL 35 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 2r47 n VAL 35 Cb 0.00 -0.26 0.00 0.00 -1.47 0.00 0.00 33.84 32.11 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 -0.60 0.00 -0.04 3.34 -1.04 -1.21 -4.68 114.28 110.05 2r47 n THR 37 Ca 0.03 0.00 0.12 0.00 -2.04 0.00 0.00 64.05 62.16 2r47 n THR 37 Cb 0.01 0.00 0.52 0.00 -1.82 0.00 0.00 70.33 69.05 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 0.34 -0.17 -2.82 0.11 -1.94 -0.81 132.00 126.72 2r47 h PRO 38 Ca 0.00 -0.02 -0.18 0.00 0.11 0.00 0.00 66.00 65.91 2r47 h PRO 38 Cb 0.00 -0.08 0.01 0.00 0.11 0.00 0.00 31.00 31.04 2r47 h PRO 38 CO 0.00 0.23 -0.60 0.74 -0.21 0.00 0.00 178.00 178.16 2r47 h PHE 39 N 0.35 0.92 -0.88 0.65 0.04 -1.95 0.12 116.94 116.20 2r47 h PHE 39 Ca 0.24 -0.38 0.06 0.00 2.80 0.00 0.00 57.97 60.69 2r47 h PHE 39 Cb 0.50 -0.15 -0.06 0.00 2.20 0.00 0.00 35.95 38.44 2r47 h PHE 39 CO -0.00 1.19 0.56 0.00 -0.60 0.00 0.00 178.31 179.45 2r47 h ALA 40 N 0.55 1.21 -0.32 2.45 0.00 -1.79 -1.69 119.26 119.66 2r47 h ALA 40 Ca -0.03 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.73 2r47 h ALA 40 Cb 1.22 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 2r47 h ALA 40 CO 0.13 0.33 -0.34 1.96 0.00 0.00 0.00 179.25 181.32 2r47 h GLN 41 N 1.02 0.72 -0.10 0.00 4.20 -0.73 -0.77 115.11 119.45 2r47 h GLN 41 Ca 0.38 -0.34 -0.01 0.00 0.06 0.00 0.00 58.65 58.74 2r47 h GLN 41 Cb 0.14 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 27.91 2r47 h GLN 41 CO -0.16 0.95 0.02 1.25 -0.67 0.00 0.00 178.83 180.22 2r47 h LEU 42 N 0.60 0.16 -0.25 1.46 5.85 -0.69 -1.33 115.31 121.12 2r47 h LEU 42 Ca 0.06 -0.25 -0.20 0.00 0.84 0.00 0.00 57.88 58.33 2r47 h LEU 42 Cb 0.86 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.84 2r47 h LEU 42 CO 0.07 0.37 -0.90 -0.26 -0.34 0.00 0.00 178.44 177.39 2r47 h PHE 43 N -0.05 0.28 -0.64 1.25 0.04 -1.28 -2.64 116.94 113.90 2r47 h PHE 43 Ca 0.03 -0.16 0.05 0.00 2.80 0.00 0.00 57.97 60.69 2r47 h PHE 43 Cb 0.28 -0.03 -0.05 0.00 2.20 0.00 0.00 35.95 38.35 2r47 h PHE 43 CO 0.01 0.98 0.37 0.00 -0.60 0.00 0.00 178.31 179.07 2r47 h ALA 44 N 0.97 0.85 -0.73 2.45 0.00 -1.14 -2.23 119.26 119.43 2r47 h ALA 44 Ca -0.04 0.01 0.11 0.00 0.00 0.00 0.00 54.91 54.98 2r47 h ALA 44 Cb 1.53 -0.14 -0.08 0.00 0.00 0.00 0.00 17.79 19.10 2r47 h ALA 44 CO 0.14 0.06 0.34 -0.92 0.00 0.00 0.00 179.25 178.87 2r47 h TYR 45 N 0.69 0.60 0.00 0.00 3.20 -1.06 -0.04 116.97 120.37 2r47 h TYR 45 Ca 0.28 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 62.15 2r47 h TYR 45 Cb 0.13 -0.16 -0.00 0.00 1.54 0.00 0.00 36.73 38.24 2r47 h TYR 45 CO -0.07 0.17 -0.14 0.00 -1.64 0.00 0.00 178.16 176.48 2r47 h ALA 46 N 1.47 1.44 -1.08 1.82 0.00 -1.05 -2.87 119.26 118.98 2r47 h ALA 46 Ca 0.38 -0.12 -0.54 0.00 0.00 0.00 0.00 54.91 54.62 2r47 h ALA 46 Cb 0.46 -0.02 -0.42 0.00 0.00 0.00 0.00 17.79 17.81 2r47 h ALA 46 CO -0.32 0.17 -0.82 1.33 0.00 0.00 0.00 179.25 179.62 2r47 n VAL 47 N -3.89 2.31 0.45 0.00 0.24 -0.57 -4.87 118.33 112.01 2r47 n VAL 47 Ca -0.02 -4.40 0.07 0.00 -2.04 0.00 0.00 64.34 57.94 2r47 n VAL 47 Cb 0.23 -0.97 0.29 0.00 -1.47 0.00 0.00 33.84 31.92 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 -0.57 0.01 0.29 7.34 1.85 -0.13 -1.01 116.66 124.44 2r47 n ARG 48 Ca 0.38 0.28 0.19 0.00 -1.00 0.00 0.00 57.85 57.70 2r47 n ARG 48 Cb 0.82 -1.51 0.83 0.00 -1.05 0.00 0.00 32.46 31.54 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 -2.48 2.89 2.03 -1.88 -3.45 116.42 113.53 2r47 h ASP 49 Ca 0.00 0.00 -0.44 0.00 -0.73 0.00 0.00 57.03 55.86 2r47 h ASP 49 Cb 0.23 0.00 0.05 0.00 -0.83 0.00 0.00 39.33 38.79 2r47 h ASP 49 CO 0.00 0.01 0.00 -0.54 -1.03 0.00 0.00 179.24 177.68 2r47 s LYS 50 N -3.81 2.37 -0.47 4.15 1.02 -0.18 -5.05 119.74 117.76 2r47 s LYS 50 Ca -0.01 -0.83 -0.20 0.00 0.02 0.00 0.00 55.97 54.95 2r47 s LYS 50 Cb 0.10 -2.45 0.04 0.00 -0.52 0.00 0.00 37.83 35.00 2r47 s LYS 50 CO 0.51 -0.87 0.63 0.34 -0.92 0.00 0.00 175.35 175.04 2r47 s ASP 51 N -4.49 6.26 0.08 2.83 2.15 -0.69 -5.00 116.67 117.82 2r47 s ASP 51 Ca 0.59 -0.64 0.10 0.00 0.43 0.00 0.00 52.55 53.03 2r47 s ASP 51 Cb -0.09 -2.30 -0.03 0.00 -0.30 0.00 0.00 42.92 40.19 2r47 s ASP 51 CO 0.40 -0.84 -0.25 0.20 -0.17 0.00 0.00 175.17 174.51 2r47 s ASN 52 N 2.34 3.34 0.11 -0.34 0.01 -1.26 -1.74 114.94 117.39 2r47 s ASN 52 Ca 0.19 -0.64 0.02 0.00 -0.71 0.00 0.00 52.86 51.72 2r47 s ASN 52 Cb -0.17 -0.31 -0.04 0.00 0.41 0.00 0.00 41.25 41.15 2r47 s ASN 52 CO 0.15 0.22 -0.08 0.27 -1.51 0.00 0.00 177.10 176.16 2r47 s ILE 53 N -0.94 0.80 -0.15 0.60 -4.36 -0.19 -0.95 121.20 116.01 2r47 s ILE 53 Ca 0.13 -1.90 0.01 0.00 -0.26 0.00 0.00 60.65 58.63 2r47 s ILE 53 Cb -0.10 -1.64 -0.00 0.00 1.25 0.00 0.00 42.46 41.97 2r47 s ILE 53 CO 0.04 -0.80 -0.16 0.12 0.24 0.00 0.00 174.94 174.38 2r47 s PHE 54 N -3.37 2.76 -0.28 1.37 5.36 0.19 -0.65 117.98 123.37 2r47 s PHE 54 Ca 0.11 -1.06 -0.08 0.00 -0.96 0.00 0.00 56.93 54.94 2r47 s PHE 54 Cb 0.03 -1.88 -0.01 0.00 -0.34 0.00 0.00 43.02 40.83 2r47 s PHE 54 CO -0.03 -0.48 0.09 0.42 -1.46 0.00 0.00 175.22 173.76 2r47 s ILE 55 N 0.79 4.20 -0.05 3.12 1.01 0.12 -1.54 121.20 128.86 2r47 s ILE 55 Ca -0.06 -0.48 -0.30 0.00 0.00 0.00 0.00 60.65 59.82 2r47 s ILE 55 Cb -0.15 -3.10 -0.03 0.00 0.01 0.00 0.00 42.46 39.19 2r47 s ILE 55 CO 0.00 0.16 1.13 -2.16 0.00 0.00 0.00 174.94 174.07 2r47 s PRO 56 N 1.56 4.40 5.67 2.79 0.04 -1.26 -1.86 135.00 146.34 2r47 s PRO 56 Ca 0.04 1.59 0.00 0.00 0.04 0.00 0.00 61.00 62.67 2r47 s PRO 56 Cb -0.16 -3.52 0.00 0.00 0.04 0.00 0.00 34.50 30.85 2r47 s PRO 56 CO 0.04 -0.36 0.00 0.09 0.04 0.00 0.00 177.00 176.81 2r47 n ASN 57 N 4.89 0.00 -0.55 6.66 3.02 0.18 -1.22 115.26 128.24 2r47 n ASN 57 Ca 0.10 0.00 0.06 0.00 -0.03 0.00 0.00 54.58 54.70 2r47 n ASN 57 Cb 0.47 0.00 0.19 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 2.17 -3.24 3.41 -2.24 -1.26 -4.11 114.28 109.01 2r47 n THR 58 Ca 0.00 -2.83 -0.46 0.00 -2.27 0.00 0.00 64.05 58.49 2r47 n THR 58 Cb 0.00 -0.25 -0.02 0.00 -2.10 0.00 0.00 70.33 67.96 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 -2.97 6.86 0.34 3.42 -1.08 -0.36 -4.77 116.67 118.12 2r47 s ASP 59 Ca 0.38 -2.77 0.03 0.00 -0.52 0.00 0.00 52.55 49.67 2r47 s ASP 59 Cb 0.35 -2.25 0.65 0.00 -1.46 0.00 0.00 42.92 40.21 2r47 s ASP 59 CO -0.02 -0.61 1.96 0.15 0.52 0.00 0.00 175.17 177.16 2r47 h PHE 60 N 7.72 0.86 0.00 -5.34 3.57 -1.92 -1.53 116.94 120.29 2r47 h PHE 60 Ca 0.14 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.66 2r47 h PHE 60 Cb 1.00 -0.28 -0.00 0.00 2.79 0.00 0.00 35.95 39.45 2r47 h PHE 60 CO 1.01 0.47 -0.02 0.66 -2.23 0.00 0.00 178.31 178.21 2r47 h SER 61 N 0.87 0.00 -0.47 0.41 4.64 -1.95 -1.34 113.55 115.71 2r47 h SER 61 Ca 0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.64 2r47 h SER 61 Cb 0.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 2r47 h SER 61 CO -0.10 0.02 0.00 0.29 -0.87 0.00 0.00 176.83 176.16 2r47 n LYS 62 N -3.44 2.34 -1.85 4.77 5.02 -0.58 -4.78 118.16 119.65 2r47 n LYS 62 Ca -0.03 -2.06 -0.40 0.00 -2.02 0.00 0.00 58.31 53.81 2r47 n LYS 62 Cb 0.11 -1.48 0.01 0.00 -0.02 0.00 0.00 35.03 33.66 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 -1.38 3.20 0.07 7.82 0.00 -0.51 -4.67 121.76 126.30 2r47 s ALA 63 Ca 0.39 1.40 0.07 0.00 0.00 0.00 0.00 51.96 53.82 2r47 s ALA 63 Cb 0.21 -3.57 -0.03 0.00 0.00 0.00 0.00 23.12 19.74 2r47 s ALA 63 CO 0.29 -1.13 -0.19 1.03 0.00 0.00 0.00 175.76 175.76 2r47 s ARG 64 N -2.46 1.11 0.50 0.00 0.52 -0.59 -0.42 118.95 117.61 2r47 s ARG 64 Ca 0.61 -1.00 -0.24 0.00 -0.52 0.00 0.00 55.73 54.58 2r47 s ARG 64 Cb -0.42 -1.25 -0.07 0.00 0.52 0.00 0.00 34.95 33.73 2r47 s ARG 64 CO 0.54 0.30 1.40 1.63 0.02 0.00 0.00 175.30 179.19 2r47 n LYS 65 N 1.44 1.98 -3.44 3.54 5.02 -0.29 -0.64 118.16 125.77 2r47 n LYS 65 Ca -0.19 0.72 -0.43 0.00 -2.02 0.00 0.00 58.31 56.38 2r47 n LYS 65 Cb 0.54 -2.61 -0.08 0.00 -0.02 0.00 0.00 35.03 32.86 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 -3.07 5.59 -0.01 -0.35 1.43 -0.13 0.26 118.68 122.40 2r47 s LEU 66 Ca 0.66 -1.47 0.06 0.00 -1.03 0.00 0.00 54.13 52.35 2r47 s LEU 66 Cb -0.43 -2.13 -0.03 0.00 0.03 0.00 0.00 46.19 43.63 2r47 s LEU 66 CO 0.53 -0.65 -0.17 -1.83 0.23 0.00 0.00 176.35 174.46 2r47 s GLU 67 N 1.57 2.28 -0.09 1.70 -1.05 0.29 -4.49 118.70 118.90 2r47 s GLU 67 Ca 0.04 -0.84 -0.29 0.00 -0.15 0.00 0.00 54.97 53.73 2r47 s GLU 67 Cb -0.25 -2.25 -0.02 0.00 -0.44 0.00 0.00 34.13 31.17 2r47 s GLU 67 CO 0.05 0.58 0.96 0.08 0.95 0.00 0.00 175.26 177.88 2r47 s VAL 68 N -0.79 4.83 0.38 1.83 1.01 -1.26 -0.44 120.40 125.95 2r47 s VAL 68 Ca 0.13 1.95 0.01 0.00 0.00 0.00 0.00 61.98 64.07 2r47 s VAL 68 Cb -0.10 -4.27 -0.00 0.00 0.00 0.00 0.00 36.38 32.00 2r47 s VAL 68 CO 0.02 0.05 0.02 0.35 0.00 0.00 0.00 175.10 175.54 2r47 n THR 69 N 4.42 0.00 0.20 3.92 -2.24 0.24 -4.96 114.28 115.87 2r47 n THR 69 Ca 0.07 -1.84 0.03 0.00 -2.27 0.00 0.00 64.05 60.04 2r47 n THR 69 Cb 0.49 0.43 0.15 0.00 -2.10 0.00 0.00 70.33 69.30 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 -0.92 0.01 0.00 -0.78 0.28 -1.26 -2.17 120.64 115.80 2r47 n GLU 70 Ca -0.14 0.41 0.11 0.00 -0.16 0.00 0.00 57.16 57.38 2r47 n GLU 70 Cb 0.49 -1.53 0.02 0.00 1.43 0.00 0.00 31.44 31.85 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 -1.55 0.00 0.00 -1.84 4.01 -1.26 -5.09 117.16 111.43 2r47 n TYR 71 Ca 0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.75 2r47 n TYR 71 Cb 0.07 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.09 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 1.42 0.27 3.68 2.72 0.00 -0.92 -5.00 105.19 107.37 2r47 n GLY 72 Ca 0.09 -2.03 -0.39 0.00 0.00 0.00 0.00 46.02 43.69 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 -0.19 5.11 0.24 1.61 1.01 -1.26 0.80 120.40 127.72 2r47 s VAL 73 Ca 0.00 1.03 0.09 0.00 0.00 0.00 0.00 61.98 63.10 2r47 s VAL 73 Cb 0.00 -3.87 -0.05 0.00 0.00 0.00 0.00 36.38 32.46 2r47 s VAL 73 CO 0.00 0.21 -0.14 -1.61 0.00 0.00 0.00 175.10 173.56 2r47 s GLU 74 N 1.37 1.45 0.12 2.72 2.02 0.42 -4.91 118.70 121.90 2r47 s GLU 74 Ca 0.26 -1.67 -0.30 0.00 0.02 0.00 0.00 54.97 53.28 2r47 s GLU 74 Cb -0.16 -1.28 -0.06 0.00 0.10 0.00 0.00 34.13 32.73 2r47 s GLU 74 CO 0.10 0.19 1.03 -0.51 0.02 0.00 0.00 175.26 176.10 2r47 s LEU 75 N -3.39 4.48 0.00 1.80 1.43 -1.26 -0.55 118.68 121.19 2r47 s LEU 75 Ca 0.25 1.90 0.00 0.00 -1.03 0.00 0.00 54.13 55.26 2r47 s LEU 75 Cb -0.01 -3.59 0.00 0.00 0.03 0.00 0.00 46.19 42.62 2r47 s LEU 75 CO 0.10 -0.17 0.00 0.61 0.23 0.00 0.00 176.35 177.12 2r47 n GLY 76 N 2.31 3.85 3.86 -3.19 0.00 0.14 -4.90 105.19 107.26 2r47 n GLY 76 Ca 0.03 -1.68 -0.30 0.00 0.00 0.00 0.00 46.02 44.06 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 4.73 2.91 0.32 1.61 -1.05 -1.26 -4.42 118.70 121.55 2r47 s GLU 77 Ca 0.00 0.62 -0.29 0.00 -0.15 0.00 0.00 54.97 55.14 2r47 s GLU 77 Cb 0.00 -2.01 -0.12 0.00 -0.44 0.00 0.00 34.13 31.56 2r47 s GLU 77 CO 0.00 -1.03 1.50 -0.89 0.95 0.00 0.00 175.26 175.79 2r47 n ILE 78 N -3.03 1.48 -2.81 1.83 2.08 -1.26 -1.14 119.36 116.51 2r47 n ILE 78 Ca 0.07 -0.37 -0.07 0.00 0.56 0.00 0.00 62.75 62.94 2r47 n ILE 78 Cb 0.56 -1.87 0.01 0.00 -0.75 0.00 0.00 39.64 37.59 2r47 n ILE 78 CO 0.00 0.00 0.00 -0.24 0.56 0.00 0.00 176.55 176.87 2r47 n SER 79 N 1.39 -3.02 -2.92 4.38 2.88 0.44 -4.84 113.62 111.93 2r47 n SER 79 Ca 0.06 -3.00 -0.31 0.00 -1.33 0.00 0.00 58.87 54.29 2r47 n SER 79 Cb 0.37 1.57 -0.05 0.00 -0.75 0.00 0.00 64.21 65.35 2r47 n SER 79 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 2r47 n PRO 80 N 2.51 3.37 -3.20 -1.46 -0.04 -1.26 -4.60 135.00 130.32 2r47 n PRO 80 Ca 0.16 -2.46 -0.37 0.00 -0.04 0.00 0.00 63.50 60.79 2r47 n PRO 80 Cb 0.58 -2.43 -0.06 0.00 -0.04 0.00 0.00 33.50 31.55 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 1.04 2.66 0.93 0.55 0.00 -1.26 -5.01 107.32 106.23 2r47 s GLY 81 Ca 0.61 0.09 -0.12 0.00 0.00 0.00 0.00 44.72 45.30 2r47 s GLY 81 CO -0.10 0.49 1.12 0.54 0.00 0.00 0.00 173.10 175.14 2r47 s ASN 82 N -1.37 3.27 0.15 1.64 6.03 -1.26 -5.03 114.94 118.37 2r47 s ASN 82 Ca 0.35 1.07 0.06 0.00 -1.03 0.00 0.00 52.86 53.31 2r47 s ASN 82 Cb -0.19 -1.69 -0.04 0.00 -3.03 0.00 0.00 41.25 36.30 2r47 s ASN 82 CO 0.21 -2.71 -0.13 0.68 -2.03 0.00 0.00 177.10 173.12 2r47 s VAL 83 N -3.16 1.36 -0.85 3.54 -7.23 0.24 -4.89 120.40 109.42 2r47 s VAL 83 Ca 0.64 -1.96 0.23 0.00 -1.81 0.00 0.00 61.98 59.09 2r47 s VAL 83 Cb -0.16 -1.76 -0.08 0.00 0.56 0.00 0.00 36.38 34.94 2r47 s VAL 83 CO 0.55 -0.58 1.18 -0.90 -0.31 0.00 0.00 175.10 175.04 2r47 n ASP 84 N 0.06 0.64 -3.88 4.85 5.75 -0.37 -0.65 116.55 122.95 2r47 n ASP 84 Ca -0.12 -0.35 -0.21 0.00 -0.01 0.00 0.00 54.79 54.09 2r47 n ASP 84 Cb 0.59 0.57 -0.17 0.00 -1.03 0.00 0.00 41.12 41.08 2r47 n ASP 84 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 2r47 s VAL 85 N -3.08 0.59 -0.22 2.12 1.01 -1.00 -1.33 120.40 118.49 2r47 s VAL 85 Ca 0.08 -0.11 -0.05 0.00 0.00 0.00 0.00 61.98 61.89 2r47 s VAL 85 Cb 0.16 -0.63 -0.02 0.00 0.00 0.00 0.00 36.38 35.88 2r47 s VAL 85 CO 0.77 0.25 0.01 -0.22 0.00 0.00 0.00 175.10 175.91 2r47 s LEU 86 N 1.18 3.21 -0.32 3.92 2.96 -0.47 -1.41 118.68 127.75 2r47 s LEU 86 Ca -0.07 -0.26 -0.08 0.00 -0.22 0.00 0.00 54.13 53.51 2r47 s LEU 86 Cb -0.14 -1.83 0.02 0.00 0.50 0.00 0.00 46.19 44.74 2r47 s LEU 86 CO -0.01 0.01 0.11 -0.69 -1.32 0.00 0.00 176.35 174.45 2r47 s VAL 87 N 1.31 4.10 0.00 1.68 1.01 0.74 -0.73 120.40 128.52 2r47 s VAL 87 Ca 0.04 -0.77 -0.25 0.00 0.00 0.00 0.00 61.98 61.00 2r47 s VAL 87 Cb -0.15 -3.18 -0.05 0.00 0.00 0.00 0.00 36.38 33.01 2r47 s VAL 87 CO 0.01 -0.02 0.76 -0.76 0.00 0.00 0.00 175.10 175.08 2r47 s LEU 88 N 1.50 4.40 0.13 3.92 1.43 0.67 -0.69 118.68 130.05 2r47 s LEU 88 Ca 0.02 1.37 -0.08 0.00 -1.03 0.00 0.00 54.13 54.41 2r47 s LEU 88 Cb -0.18 -3.20 -0.06 0.00 0.03 0.00 0.00 46.19 42.78 2r47 s LEU 88 CO 0.04 -0.05 0.43 -0.76 0.23 0.00 0.00 176.35 176.24 2r47 s LEU 89 N 0.31 4.29 0.43 1.79 1.43 -0.07 -1.21 118.68 125.65 2r47 s LEU 89 Ca 0.39 0.76 0.16 0.00 -1.03 0.00 0.00 54.13 54.42 2r47 s LEU 89 Cb -0.20 -3.24 1.08 0.00 0.03 0.00 0.00 46.19 43.86 2r47 s LEU 89 CO 0.22 0.08 1.93 1.23 0.23 0.00 0.00 176.35 180.04 2r47 h GLY 90 N 3.19 0.64 1.06 -3.19 0.00 -1.76 -1.76 103.07 101.26 2r47 h GLY 90 Ca -0.48 -0.17 0.12 0.00 0.00 0.00 0.00 47.33 46.81 2r47 h GLY 90 CO 0.69 0.06 0.35 -1.33 0.00 0.00 0.00 176.54 176.31 2r47 h GLY 91 N 0.39 0.00 2.00 4.60 0.00 -1.94 -1.03 103.07 107.09 2r47 h GLY 91 Ca 0.36 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.68 2r47 h GLY 91 CO -0.11 0.00 -0.01 1.41 0.00 0.00 0.00 176.54 177.84 2r47 h LEU 92 N 0.00 0.00 -0.66 3.11 3.38 -1.64 -1.90 115.31 117.59 2r47 h LEU 92 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.17 2r47 h LEU 92 Cb 0.90 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.65 2r47 h LEU 92 CO -0.00 0.01 -0.13 -1.54 0.09 0.00 0.00 178.44 176.86 2r47 n SER 93 N -3.84 1.16 -4.78 -0.43 3.41 -0.39 -0.16 113.62 108.59 2r47 n SER 93 Ca -0.03 -1.13 -0.38 0.00 -0.26 0.00 0.00 58.87 57.08 2r47 n SER 93 Cb 0.09 0.06 -0.06 0.00 -0.26 0.00 0.00 64.21 64.03 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 -2.27 4.56 0.41 4.33 -1.94 -0.71 -4.87 119.30 118.80 2r47 s MET 94 Ca 0.31 1.24 -0.26 0.00 -1.71 0.00 0.00 55.69 55.26 2r47 s MET 94 Cb 0.20 -2.98 -0.09 0.00 2.01 0.00 0.00 34.83 33.98 2r47 s MET 94 CO 0.43 0.39 1.36 -2.14 -0.01 0.00 0.00 175.02 175.06 2r47 s PRO 95 N -1.74 3.93 0.00 2.03 0.02 -1.26 0.49 135.00 138.47 2r47 s PRO 95 Ca 0.45 2.29 0.00 0.00 0.02 0.00 0.00 61.00 63.76 2r47 s PRO 95 Cb -0.20 -2.78 0.00 0.00 0.02 0.00 0.00 34.50 31.54 2r47 s PRO 95 CO 0.25 -0.57 0.00 0.41 -0.33 0.00 0.00 177.00 176.76 2r47 n GLY 96 N 0.63 0.48 0.00 0.52 0.00 -1.26 -4.38 105.19 101.18 2r47 n GLY 96 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 -1.41 0.00 0.00 -0.61 2.08 -1.25 -5.07 119.36 113.10 2r47 n ILE 97 Ca 0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 2r47 n ILE 97 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 38.89 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 0.00 -2.76 3.46 7.39 0.00 0.18 -4.92 105.19 108.53 2r47 n GLY 98 Ca 0.00 -1.25 -0.26 0.00 0.00 0.00 0.00 46.02 44.50 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 -1.78 3.59 0.55 1.61 0.01 0.77 -4.92 113.70 113.53 2r47 s SER 99 Ca 0.00 -0.85 -0.18 0.00 1.31 0.00 0.00 55.95 56.23 2r47 s SER 99 Cb 0.00 -0.34 -0.05 0.00 0.21 0.00 0.00 66.02 65.84 2r47 s SER 99 CO 0.00 0.10 1.08 1.51 0.41 0.00 0.00 173.24 176.35 2r47 s ASP 100 N -2.83 5.83 0.39 2.44 1.47 -1.26 -4.83 116.67 117.88 2r47 s ASP 100 Ca 0.23 1.99 0.08 0.00 1.18 0.00 0.00 52.55 56.03 2r47 s ASP 100 Cb -0.08 -2.56 0.85 0.00 -0.34 0.00 0.00 42.92 40.79 2r47 s ASP 100 CO 0.11 -1.13 1.99 -0.29 0.68 0.00 0.00 175.17 176.53 2r47 h ILE 101 N 0.97 1.01 -0.68 2.11 6.09 -1.99 -0.94 117.51 124.08 2r47 h ILE 101 Ca -0.49 -0.21 0.01 0.00 -1.37 0.00 0.00 64.86 62.81 2r47 h ILE 101 Cb 1.24 0.34 -0.04 0.00 0.47 0.00 0.00 36.82 38.83 2r47 h ILE 101 CO 0.57 0.11 0.44 -0.33 -3.07 0.00 0.00 178.15 175.88 2r47 h GLU 102 N 0.62 0.86 -0.17 2.19 5.08 -1.99 0.05 114.58 121.22 2r47 h GLU 102 Ca 0.26 -0.05 -0.14 0.00 -1.00 0.00 0.00 59.36 58.43 2r47 h GLU 102 Cb 0.25 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 2r47 h GLU 102 CO -0.08 0.57 -0.50 -0.44 -1.00 0.00 0.00 179.01 177.57 2r47 h ASP 103 N 0.89 0.50 -0.32 1.42 3.32 -1.58 -1.60 116.42 119.05 2r47 h ASP 103 Ca 0.26 -0.25 -0.04 0.00 0.02 0.00 0.00 57.03 57.02 2r47 h ASP 103 Cb -0.07 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.33 2r47 h ASP 103 CO -0.07 0.91 0.06 0.58 -1.72 0.00 0.00 179.24 179.01 2r47 h VAL 104 N 0.36 1.23 -0.21 -1.35 2.07 -0.99 -1.26 116.25 116.11 2r47 h VAL 104 Ca 0.02 -0.78 -0.06 0.00 0.82 0.00 0.00 66.70 66.69 2r47 h VAL 104 Cb 1.00 1.12 -0.01 0.00 -1.52 0.00 0.00 31.29 31.88 2r47 h VAL 104 CO 0.09 0.26 -0.16 0.11 0.02 0.00 0.00 177.57 177.89 2r47 h LYS 105 N 0.36 0.34 -0.44 1.57 1.57 -0.86 -1.32 116.57 117.79 2r47 h LYS 105 Ca 0.10 -0.10 -0.13 0.00 -1.87 0.00 0.00 60.65 58.65 2r47 h LYS 105 Cb 0.33 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.59 2r47 h LYS 105 CO 0.00 0.50 -0.24 -0.22 -0.57 0.00 0.00 179.45 178.93 2r47 h LYS 106 N 0.32 0.92 -0.62 3.15 1.63 -1.17 -1.09 116.57 119.71 2r47 h LYS 106 Ca 0.06 -0.40 0.04 0.00 -0.85 0.00 0.00 60.65 59.50 2r47 h LYS 106 Cb 0.47 -0.03 -0.05 0.00 -0.60 0.00 0.00 32.23 32.03 2r47 h LYS 106 CO 0.03 1.06 0.36 1.25 -3.45 0.00 0.00 179.45 178.69 2r47 h LEU 107 N 0.79 0.56 -0.54 5.20 5.85 -0.67 0.66 115.31 127.16 2r47 h LEU 107 Ca 0.10 0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.79 2r47 h LEU 107 Cb 0.81 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.72 2r47 h LEU 107 CO 0.07 0.38 0.15 0.58 -0.34 0.00 0.00 178.44 179.28 2r47 h VAL 108 N 0.69 1.24 -0.70 1.05 2.07 -1.02 0.20 116.25 119.79 2r47 h VAL 108 Ca 0.26 -0.83 -0.00 0.00 0.82 0.00 0.00 66.70 66.95 2r47 h VAL 108 Cb 0.10 0.75 -0.03 0.00 -1.52 0.00 0.00 31.29 30.59 2r47 h VAL 108 CO -0.14 0.31 0.43 -0.08 0.02 0.00 0.00 177.57 178.10 2r47 h GLU 109 N 0.76 0.94 0.15 1.57 4.57 -0.82 -2.55 114.58 119.20 2r47 h GLU 109 Ca 0.17 -0.08 -0.22 0.00 -1.18 0.00 0.00 59.36 58.05 2r47 h GLU 109 Cb 0.31 -0.20 0.02 0.00 -0.16 0.00 0.00 28.75 28.72 2r47 h GLU 109 CO -0.00 0.66 -0.99 -0.44 -1.18 0.00 0.00 179.01 177.06 2r47 h ASP 110 N 0.95 0.50 0.39 1.04 3.32 -0.45 -3.40 116.42 118.76 2r47 h ASP 110 Ca 0.25 -0.93 -0.14 0.00 0.02 0.00 0.00 57.03 56.22 2r47 h ASP 110 Cb -0.04 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.32 2r47 h ASP 110 CO -0.05 1.47 -1.74 0.00 -1.72 0.00 0.00 179.24 177.20 2r47 n ALA 111 N -2.73 2.16 -2.64 3.45 0.00 0.68 -4.82 120.51 116.61 2r47 n ALA 111 Ca -0.16 -0.67 -0.39 0.00 0.00 0.00 0.00 53.44 52.21 2r47 n ALA 111 Cb 0.87 -0.75 -0.07 0.00 0.00 0.00 0.00 19.45 19.50 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 -5.31 4.10 0.66 0.00 2.96 -0.96 -0.59 118.68 119.54 2r47 s LEU 112 Ca -0.06 0.60 -0.17 0.00 -0.22 0.00 0.00 54.13 54.28 2r47 s LEU 112 Cb 0.10 -2.68 -0.00 0.00 0.50 0.00 0.00 46.19 44.10 2r47 s LEU 112 CO 0.84 -0.23 1.23 -1.83 -1.32 0.00 0.00 176.35 175.05 2r47 s GLU 113 N 1.94 2.56 0.35 1.98 -1.05 0.18 -4.82 118.70 119.84 2r47 s GLU 113 Ca 0.23 1.87 -0.28 0.00 -0.15 0.00 0.00 54.97 56.63 2r47 s GLU 113 Cb -0.15 -1.87 -0.12 0.00 -0.44 0.00 0.00 34.13 31.55 2r47 s GLU 113 CO 0.09 -1.54 1.39 -1.91 0.95 0.00 0.00 175.26 174.24 2r47 n GLU 114 N -2.09 2.39 -0.92 -4.83 4.07 -1.26 -0.83 120.64 117.18 2r47 n GLU 114 Ca 0.14 0.84 0.00 0.00 -0.06 0.00 0.00 57.16 58.08 2r47 n GLU 114 Cb 0.49 -2.49 0.00 0.00 -0.06 0.00 0.00 31.44 29.38 2r47 n GLU 114 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2r47 n GLY 115 N 0.69 0.69 3.92 8.31 0.00 -1.26 -5.04 105.19 112.51 2r47 n GLY 115 Ca 0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.76 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 1.72 -0.07 -0.02 0.00 -0.01 -5.06 107.32 101.88 2r47 s GLY 116 Ca 0.00 -1.03 -0.01 0.00 0.00 0.00 0.00 44.72 43.68 2r47 s GLY 116 CO 0.00 -0.37 0.01 -0.54 0.00 0.00 0.00 173.10 172.20 2r47 s GLU 117 N -5.74 2.96 -0.21 2.90 2.02 -0.44 -5.00 118.70 115.18 2r47 s GLU 117 Ca 0.69 -0.44 -0.09 0.00 0.02 0.00 0.00 54.97 55.15 2r47 s GLU 117 Cb -0.06 -2.78 -0.04 0.00 0.10 0.00 0.00 34.13 31.34 2r47 s GLU 117 CO 0.51 0.69 0.10 -1.17 0.02 0.00 0.00 175.26 175.41 2r47 s LEU 118 N -1.07 3.90 0.18 1.80 2.96 -1.26 -1.37 118.68 123.82 2r47 s LEU 118 Ca 0.15 0.06 0.08 0.00 -0.22 0.00 0.00 54.13 54.20 2r47 s LEU 118 Cb -0.11 -2.02 -0.04 0.00 0.50 0.00 0.00 46.19 44.51 2r47 s LEU 118 CO 0.05 0.10 -0.15 -0.04 -1.32 0.00 0.00 176.35 174.99 2r47 s MET 119 N 0.80 1.25 0.01 1.98 -1.94 0.10 -0.14 119.30 121.36 2r47 s MET 119 Ca 0.05 -1.47 0.07 0.00 -1.71 0.00 0.00 55.69 52.63 2r47 s MET 119 Cb -0.13 -1.13 -0.02 0.00 2.01 0.00 0.00 34.83 35.56 2r47 s MET 119 CO 0.02 0.21 -0.20 0.20 -0.01 0.00 0.00 175.02 175.24 2r47 s GLY 120 N -2.96 1.04 -0.15 -0.03 0.00 -0.75 -0.24 107.32 104.22 2r47 s GLY 120 Ca 0.18 -0.94 -0.00 0.00 0.00 0.00 0.00 44.72 43.95 2r47 s GLY 120 CO 0.06 -0.83 -0.07 -2.27 0.00 0.00 0.00 173.10 169.99 2r47 s LEU 121 N -0.77 1.54 0.31 0.66 2.96 -0.35 -0.48 118.68 122.55 2r47 s LEU 121 Ca 0.08 -0.56 -0.02 0.00 -0.22 0.00 0.00 54.13 53.41 2r47 s LEU 121 Cb -0.08 -0.94 -0.01 0.00 0.50 0.00 0.00 46.19 45.66 2r47 s LEU 121 CO 0.00 -0.15 0.39 0.00 -1.32 0.00 0.00 176.35 175.28 2r47 s TYR 123 N -3.42 2.20 -1.47 0.00 2.02 -1.26 -1.35 117.35 114.06 2r47 s TYR 123 Ca 0.32 -0.39 -0.03 0.00 -0.37 0.00 0.00 57.07 56.61 2r47 s TYR 123 Cb 0.01 -1.16 0.01 0.00 -0.40 0.00 0.00 41.96 40.43 2r47 s TYR 123 CO 0.18 0.36 0.26 -1.33 -1.57 0.00 0.00 175.55 173.46 2r47 n MET 124 N 0.71 -3.06 -2.63 -0.62 2.81 0.02 -2.46 117.12 111.89 2r47 n MET 124 Ca -0.16 0.80 -0.17 0.00 -1.81 0.00 0.00 57.70 56.36 2r47 n MET 124 Cb 0.54 -5.52 0.01 0.00 -0.71 0.00 0.00 33.22 27.54 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 -2.16 -5.13 -0.16 7.83 2.03 -1.26 -4.90 116.55 112.79 2r47 n ASP 125 Ca -0.15 -0.14 -0.05 0.00 0.52 0.00 0.00 54.79 54.97 2r47 n ASP 125 Cb 0.63 -4.08 0.04 0.00 -0.72 0.00 0.00 41.12 36.99 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 -0.64 0.49 -0.21 -0.67 1.85 -1.83 -1.70 114.93 112.21 2r47 h MET 126 Ca -0.42 -0.03 -0.03 0.00 -0.61 0.00 0.00 59.70 58.61 2r47 h MET 126 Cb 1.30 -0.11 -0.01 0.00 0.43 0.00 0.00 31.60 33.21 2r47 h MET 126 CO 0.46 0.32 0.01 0.74 -0.40 0.00 0.00 176.91 178.05 2r47 h PHE 127 N 0.50 0.39 -0.52 1.39 0.04 -1.89 -1.83 116.94 115.02 2r47 h PHE 127 Ca 0.21 -0.06 0.07 0.00 2.80 0.00 0.00 57.97 60.98 2r47 h PHE 127 Cb 0.10 -0.10 -0.06 0.00 2.20 0.00 0.00 35.95 38.08 2r47 h PHE 127 CO -0.09 0.53 0.20 0.00 -0.60 0.00 0.00 178.31 178.35 2r47 h ALA 128 N 0.81 0.65 -0.20 2.45 0.00 -1.91 -0.85 119.26 120.21 2r47 h ALA 128 Ca 0.06 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 2r47 h ALA 128 Cb 0.36 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 2r47 h ALA 128 CO 0.01 -0.18 -0.05 0.00 0.00 0.00 0.00 179.25 179.02 2r47 h ARG 129 N 0.39 0.31 0.00 0.00 3.08 -1.14 -1.94 114.38 115.08 2r47 h ARG 129 Ca 0.25 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.24 2r47 h ARG 129 Cb 0.25 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.25 2r47 h ARG 129 CO -0.23 0.38 0.00 0.00 -1.07 0.00 0.00 179.97 179.05 2r47 n ALA 130 N -2.49 2.44 -0.58 0.04 0.00 -0.70 -4.89 120.51 114.33 2r47 n ALA 130 Ca -0.00 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.30 2r47 n ALA 130 Cb 0.23 -1.48 0.00 0.00 0.00 0.00 0.00 19.45 18.20 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 1.25 0.74 0.16 0.00 0.00 -0.73 -4.96 105.19 101.65 2r47 n GLY 131 Ca 0.13 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.28 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 -1.34 -1.74 115.95 118.53 2r47 h TRP 132 Ca 0.00 0.00 -0.08 0.00 2.06 0.00 0.00 58.89 60.87 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 -0.36 1.88 -3.56 0.00 0.00 178.44 176.40 2r47 h TYR 133 N 0.00 0.00 0.00 0.49 0.05 -1.83 -0.53 116.97 115.15 2r47 h TYR 133 Ca 0.00 0.00 -0.12 0.00 0.05 0.00 0.00 58.73 58.66 2r47 h TYR 133 Cb 0.53 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.25 2r47 h TYR 133 CO 0.00 0.36 -1.03 0.93 -1.05 0.00 0.00 178.16 177.37 2r47 h GLU 134 N 0.00 0.00 0.00 4.88 5.08 -1.61 -0.20 114.58 122.73 2r47 h GLU 134 Ca -0.00 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.11 2r47 h GLU 134 Cb 0.82 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.02 2r47 h GLU 134 CO 0.05 0.31 -1.73 1.28 -1.00 0.00 0.00 179.01 177.91 2r47 n LEU 135 N -2.97 0.68 -4.39 1.33 4.77 -1.08 -4.72 117.00 110.61 2r47 n LEU 135 Ca -0.04 0.31 -0.24 0.00 -0.03 0.00 0.00 56.01 56.01 2r47 n LEU 135 Cb 0.76 0.19 -0.11 0.00 -2.33 0.00 0.00 43.42 41.92 2r47 n LEU 135 CO 0.42 0.30 -0.50 -0.76 -1.33 0.00 0.00 177.39 175.52 2r47 s LEU 136 N -5.81 2.47 -0.93 2.23 1.43 -0.22 -5.02 118.68 112.82 2r47 s LEU 136 Ca -0.05 -0.90 -0.07 0.00 -1.03 0.00 0.00 54.13 52.08 2r47 s LEU 136 Cb 0.08 -1.00 0.23 0.00 0.03 0.00 0.00 46.19 45.54 2r47 s LEU 136 CO 0.82 0.03 0.86 -1.81 0.23 0.00 0.00 176.35 176.48 2r47 s ASP 137 N -2.84 6.54 0.23 2.29 1.01 -1.26 -1.93 116.67 120.71 2r47 s ASP 137 Ca 0.20 -3.38 -0.30 0.00 0.71 0.00 0.00 52.55 49.79 2r47 s ASP 137 Cb -0.06 -2.07 -0.09 0.00 1.01 0.00 0.00 42.92 41.71 2r47 s ASP 137 CO 0.09 -0.32 1.31 -0.36 0.21 0.00 0.00 175.17 176.11 2r47 s PHE 138 N -0.87 3.21 0.09 4.23 0.08 -1.26 -4.76 117.98 118.69 2r47 s PHE 138 Ca 0.26 1.25 0.01 0.00 0.12 0.00 0.00 56.93 58.57 2r47 s PHE 138 Cb -0.10 -3.63 -0.25 0.00 -0.57 0.00 0.00 43.02 38.47 2r47 s PHE 138 CO -0.09 -1.91 1.18 -0.44 -0.10 0.00 0.00 175.22 173.86 2r47 h ASP 139 N 4.93 0.23 -3.96 1.36 3.32 -0.93 -3.45 116.42 117.92 2r47 h ASP 139 Ca -0.46 -0.25 -0.08 0.00 0.02 0.00 0.00 57.03 56.26 2r47 h ASP 139 Cb 1.22 -0.07 -0.22 0.00 0.22 0.00 0.00 39.33 40.47 2r47 h ASP 139 CO 0.75 1.20 -0.05 0.00 -1.72 0.00 0.00 179.24 179.42 2r47 s VAL 141 N 0.27 1.17 -0.21 0.00 1.01 -1.26 -1.82 120.40 119.57 2r47 s VAL 141 Ca -0.00 -0.59 -0.01 0.00 0.00 0.00 0.00 61.98 61.37 2r47 s VAL 141 Cb -0.04 -1.00 0.01 0.00 0.00 0.00 0.00 36.38 35.35 2r47 s VAL 141 CO 0.01 0.34 -0.11 -0.63 0.00 0.00 0.00 175.10 174.71 2r47 s ILE 142 N -0.05 2.71 -0.10 2.22 1.01 0.36 -4.96 121.20 122.40 2r47 s ILE 142 Ca -0.00 -0.79 0.03 0.00 0.00 0.00 0.00 60.65 59.88 2r47 s ILE 142 Cb -0.09 -2.23 -0.01 0.00 0.01 0.00 0.00 42.46 40.14 2r47 s ILE 142 CO 0.01 0.43 -0.19 0.21 0.00 0.00 0.00 174.94 175.40 2r47 s ASN 143 N 1.37 3.54 0.14 3.58 2.47 -1.26 -1.54 114.94 123.24 2r47 s ASN 143 Ca 0.04 -0.42 0.10 0.00 0.42 0.00 0.00 52.86 53.01 2r47 s ASN 143 Cb -0.14 -1.29 -0.04 0.00 -1.45 0.00 0.00 41.25 38.33 2r47 s ASN 143 CO -0.08 0.20 -0.24 0.00 -3.72 0.00 0.00 177.10 173.27 2r47 s ALA 144 N 0.10 2.22 0.05 1.71 0.00 -0.46 -4.97 121.76 120.41 2r47 s ALA 144 Ca -0.09 -1.45 0.06 0.00 0.00 0.00 0.00 51.96 50.47 2r47 s ALA 144 Cb -0.15 -0.31 -0.03 0.00 0.00 0.00 0.00 23.12 22.62 2r47 s ALA 144 CO 0.06 0.43 -0.12 -0.51 0.00 0.00 0.00 175.76 175.62 2r47 s ASP 145 N -2.24 4.28 -0.06 0.00 1.01 -1.26 -0.80 116.67 117.59 2r47 s ASP 145 Ca 0.14 -0.31 0.05 0.00 0.71 0.00 0.00 52.55 53.13 2r47 s ASP 145 Cb -0.09 -0.85 -0.00 0.00 1.01 0.00 0.00 42.92 42.99 2r47 s ASP 145 CO 0.06 0.24 -0.22 -0.63 0.21 0.00 0.00 175.17 174.84 2r47 s ILE 146 N -1.04 1.83 0.10 0.77 -1.09 -1.26 -4.99 121.20 115.52 2r47 s ILE 146 Ca 0.18 -0.92 -0.16 0.00 -2.23 0.00 0.00 60.65 57.51 2r47 s ILE 146 Cb -0.11 -1.57 0.03 0.00 -1.58 0.00 0.00 42.46 39.24 2r47 s ILE 146 CO 0.09 0.51 0.39 1.51 -1.23 0.00 0.00 174.94 176.21 2r47 s ASP 147 N 0.07 -0.23 0.00 3.58 -4.77 -1.26 -5.08 116.67 108.99 2r47 s ASP 147 Ca -0.08 -0.25 0.00 0.00 -3.30 0.00 0.00 52.55 48.92 2r47 s ASP 147 Cb -0.14 0.45 0.00 0.00 -1.09 0.00 0.00 42.92 42.14 2r47 s ASP 147 CO 0.05 -0.79 0.00 0.61 0.70 0.00 0.00 175.17 175.73 2r47 n GLY 148 N -0.01 1.27 3.23 2.12 0.00 -1.26 -5.17 105.19 105.37 2r47 n GLY 148 Ca -0.17 -0.84 -0.09 0.00 0.00 0.00 0.00 46.02 44.93 2r47 n GLY 148 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2r47 s TYR 149 N -4.50 0.21 -0.12 1.61 -0.85 -1.26 -5.15 117.35 107.29 2r47 s TYR 149 Ca 0.00 -0.62 -0.01 0.00 -0.52 0.00 0.00 57.07 55.92 2r47 s TYR 149 Cb 0.00 -0.06 -0.02 0.00 0.38 0.00 0.00 41.96 42.25 2r47 s TYR 149 CO 0.00 -0.58 -0.08 0.08 -1.52 0.00 0.00 175.55 173.45 2r47 s VAL 150 N -3.88 3.53 0.12 -3.49 1.01 -1.26 -5.12 120.40 111.31 2r47 s VAL 150 Ca 0.07 -0.51 0.10 0.00 0.00 0.00 0.00 61.98 61.65 2r47 s VAL 150 Cb 0.05 -2.49 -0.04 0.00 0.00 0.00 0.00 36.38 33.90 2r47 s VAL 150 CO -0.09 0.54 -0.25 -0.76 0.00 0.00 0.00 175.10 174.54 2r47 s LEU 151 N -0.04 2.32 -0.00 3.92 1.02 -1.26 -5.14 118.68 119.49 2r47 s LEU 151 Ca -0.01 -0.73 0.08 0.00 0.02 0.00 0.00 54.13 53.49 2r47 s LEU 151 Cb -0.14 -1.09 -0.02 0.00 0.02 0.00 0.00 46.19 44.96 2r47 s LEU 151 CO 0.03 0.13 -0.24 -0.13 0.02 0.00 0.00 176.35 176.17 2r47 s ARG 152 N -2.02 2.08 0.00 1.70 0.52 -1.26 -5.37 118.95 114.60 2r47 s ARG 152 Ca 0.11 -0.95 0.25 0.00 -0.52 0.00 0.00 55.73 54.63 2r47 s ARG 152 Cb -0.10 -2.09 0.42 0.00 0.52 0.00 0.00 34.95 33.70 2r47 s ARG 152 CO 0.05 0.56 1.39 0.41 0.02 0.00 0.00 175.30 177.73