#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bes s GLY 3 N 0.00 2.02 -0.01 0.46 0.00 -1.26 -4.99 107.32 103.54 2bes s GLY 3 Ca 0.00 0.84 0.02 0.00 0.00 0.00 0.00 44.72 45.58 2bes s GLY 3 CO 0.00 2.34 -0.04 1.06 0.00 0.00 0.00 173.10 176.47 2bes s MET 4 N 2.00 2.68 0.08 2.90 1.00 -1.26 -4.95 119.30 121.75 2bes s MET 4 Ca 0.61 -0.65 -0.25 0.00 0.00 0.00 0.00 55.69 55.39 2bes s MET 4 Cb -0.30 -2.59 -0.06 0.00 0.00 0.00 0.00 34.83 31.88 2bes s MET 4 CO 0.26 0.62 0.79 0.50 0.00 0.00 0.00 175.02 177.19 2bes s ARG 5 N -1.42 4.53 -0.10 2.03 3.52 -1.26 -1.39 118.95 124.86 2bes s ARG 5 Ca 0.18 1.12 -0.02 0.00 -0.13 0.00 0.00 55.73 56.87 2bes s ARG 5 Cb -0.11 -3.34 0.04 0.00 -1.56 0.00 0.00 34.95 29.98 2bes s ARG 5 CO 0.08 0.34 0.04 0.08 -0.81 0.00 0.00 175.30 175.03 2bes s VAL 6 N -0.30 0.21 -0.21 7.11 1.01 -0.95 -0.99 120.40 126.29 2bes s VAL 6 Ca 0.39 0.02 -0.21 0.00 0.00 0.00 0.00 61.98 62.17 2bes s VAL 6 Cb -0.21 -0.55 -0.02 0.00 0.00 0.00 0.00 36.38 35.60 2bes s VAL 6 CO 0.24 0.06 0.67 -0.31 0.00 0.00 0.00 175.10 175.76 2bes s TYR 7 N 2.02 3.36 -0.08 5.22 1.51 -0.70 -1.03 117.35 127.66 2bes s TYR 7 Ca 0.03 0.96 0.01 0.00 -1.01 0.00 0.00 57.07 57.06 2bes s TYR 7 Cb -0.14 -2.85 -0.03 0.00 -0.11 0.00 0.00 41.96 38.84 2bes s TYR 7 CO -0.06 -0.23 -0.09 -0.51 -1.11 0.00 0.00 175.55 173.55 2bes s LEU 8 N 2.13 3.05 0.06 -1.29 1.02 -0.73 -1.45 118.68 121.46 2bes s LEU 8 Ca 0.30 -0.09 0.04 0.00 0.02 0.00 0.00 54.13 54.40 2bes s LEU 8 Cb -0.16 -1.66 -0.03 0.00 0.02 0.00 0.00 46.19 44.36 2bes s LEU 8 CO 0.10 0.33 -0.13 -0.83 0.02 0.00 0.00 176.35 175.84 2bes s GLY 9 N -0.60 0.77 -0.14 -3.19 0.00 -0.57 -1.47 107.32 102.12 2bes s GLY 9 Ca 0.09 -0.90 -0.30 0.00 0.00 0.00 0.00 44.72 43.61 2bes s GLY 9 CO 0.02 -0.91 0.99 0.00 0.00 0.00 0.00 173.10 173.19 2bes s ALA 10 N -1.15 -1.92 0.13 3.20 0.00 -0.57 -0.45 121.76 121.00 2bes s ALA 10 Ca -0.02 1.50 0.00 0.00 0.00 0.00 0.00 51.96 53.44 2bes s ALA 10 Cb -0.09 -0.51 0.00 0.00 0.00 0.00 0.00 23.12 22.51 2bes s ALA 10 CO 0.02 -0.38 0.00 -0.40 0.00 0.00 0.00 175.76 175.00 2bes n ASP 11 N 0.54 0.00 -0.12 0.00 5.75 -1.05 -1.33 116.55 120.34 2bes n ASP 11 Ca -0.09 -0.75 0.01 0.00 -0.01 0.00 0.00 54.79 53.94 2bes n ASP 11 Cb 0.59 0.00 0.30 0.00 -1.03 0.00 0.00 41.12 40.97 2bes n ASP 11 CO 0.00 0.00 0.00 1.12 -0.11 0.00 0.00 177.20 178.21 2bes h HIS 12 N -0.10 0.77 0.00 2.11 2.07 -1.84 -1.23 115.15 116.94 2bes h HIS 12 Ca 0.00 -0.00 -0.06 0.00 -2.85 0.00 0.00 60.37 57.46 2bes h HIS 12 Cb 0.00 -0.25 -0.01 0.00 2.57 0.00 0.00 27.41 29.72 2bes h HIS 12 CO 0.00 0.52 -0.27 0.00 -3.07 0.00 0.00 177.93 175.11 2bes h ALA 13 N 1.57 1.11 -0.22 6.11 0.00 -1.90 -3.00 119.26 122.92 2bes h ALA 13 Ca 0.21 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2bes h ALA 13 Cb -0.01 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.74 2bes h ALA 13 CO -0.04 0.34 0.00 0.41 0.00 0.00 0.00 179.25 179.96 2bes n GLY 14 N -0.08 3.43 0.07 0.00 0.00 -1.02 -4.45 105.19 103.13 2bes n GLY 14 Ca -0.01 -0.59 -0.13 0.00 0.00 0.00 0.00 46.02 45.29 2bes n GLY 14 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2bes h TYR 15 N 1.36 0.06 -0.66 1.61 3.20 -1.08 -2.24 116.97 119.21 2bes h TYR 15 Ca 0.00 -0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.82 2bes h TYR 15 Cb 0.93 -0.01 -0.03 0.00 1.54 0.00 0.00 36.73 39.16 2bes h TYR 15 CO 0.24 0.51 0.28 0.93 -1.64 0.00 0.00 178.16 178.49 2bes h GLU 16 N -0.41 0.98 -0.10 1.82 4.39 -1.86 -2.39 114.58 117.00 2bes h GLU 16 Ca 0.00 -0.17 -0.09 0.00 0.34 0.00 0.00 59.36 59.44 2bes h GLU 16 Cb 0.50 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 28.98 2bes h GLU 16 CO 0.00 0.80 -0.35 1.25 -1.16 0.00 0.00 179.01 179.56 2bes h LEU 17 N 0.93 0.21 -0.76 1.33 5.85 -1.90 -2.91 115.31 118.06 2bes h LEU 17 Ca 0.22 -0.08 -0.07 0.00 0.84 0.00 0.00 57.88 58.79 2bes h LEU 17 Cb 0.18 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.12 2bes h LEU 17 CO -0.02 0.56 0.15 0.50 -0.34 0.00 0.00 178.44 179.28 2bes h LYS 18 N 0.18 1.08 -0.18 1.25 3.64 -0.91 -1.44 116.57 120.20 2bes h LYS 18 Ca 0.02 -0.26 -0.11 0.00 -1.27 0.00 0.00 60.65 59.03 2bes h LYS 18 Cb 0.71 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.38 2bes h LYS 18 CO 0.05 0.97 -0.37 1.96 -2.27 0.00 0.00 179.45 179.79 2bes h GLN 19 N 1.03 0.39 -0.02 1.90 1.08 -1.30 -1.41 115.11 116.77 2bes h GLN 19 Ca 0.21 -0.18 -0.15 0.00 -1.45 0.00 0.00 58.65 57.08 2bes h GLN 19 Cb 0.38 -0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.79 2bes h GLN 19 CO 0.00 0.71 -0.68 0.00 -0.95 0.00 0.00 178.83 177.91 2bes h ARG 20 N 0.33 0.11 -0.04 1.46 3.08 -1.33 -2.61 114.38 115.38 2bes h ARG 20 Ca 0.03 -0.09 -0.21 0.00 0.07 0.00 0.00 59.98 59.78 2bes h ARG 20 Cb 0.80 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.87 2bes h ARG 20 CO 0.06 0.75 -0.85 0.82 -1.07 0.00 0.00 179.97 179.69 2bes h ILE 21 N 0.08 1.38 -0.61 2.04 2.04 -0.98 -1.57 117.51 119.89 2bes h ILE 21 Ca -0.01 -2.29 -0.05 0.00 1.00 0.00 0.00 64.86 63.51 2bes h ILE 21 Cb 1.22 2.26 -0.03 0.00 -0.74 0.00 0.00 36.82 39.53 2bes h ILE 21 CO 0.10 0.69 0.20 0.40 0.00 0.00 0.00 178.15 179.53 2bes h ILE 22 N 0.27 1.24 -0.60 -0.67 2.04 -1.23 -0.61 117.51 117.96 2bes h ILE 22 Ca -0.06 -0.82 -0.09 0.00 1.00 0.00 0.00 64.86 64.89 2bes h ILE 22 Cb 1.46 0.63 -0.02 0.00 -0.74 0.00 0.00 36.82 38.14 2bes h ILE 22 CO 0.15 0.31 0.01 -0.08 0.00 0.00 0.00 178.15 178.54 2bes h GLU 23 N 0.86 1.04 -0.25 2.37 4.81 -1.42 -2.33 114.58 119.66 2bes h GLU 23 Ca 0.20 -0.32 -0.14 0.00 -0.13 0.00 0.00 59.36 58.97 2bes h GLU 23 Cb 0.28 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.55 2bes h GLU 23 CO -0.01 1.01 -0.41 1.25 -0.73 0.00 0.00 179.01 180.12 2bes h HIS 24 N 0.95 0.72 -0.11 0.92 2.76 -1.04 -2.70 115.15 116.66 2bes h HIS 24 Ca 0.17 -0.21 -0.18 0.00 -2.20 0.00 0.00 60.37 57.95 2bes h HIS 24 Cb 0.53 -0.15 -0.00 0.00 1.55 0.00 0.00 27.41 29.34 2bes h HIS 24 CO 0.04 0.91 -0.70 -0.07 -1.30 0.00 0.00 177.93 176.81 2bes h LEU 25 N 0.49 0.55 -0.66 0.26 3.38 -1.01 -2.42 115.31 115.90 2bes h LEU 25 Ca 0.04 -0.35 -0.09 0.00 0.09 0.00 0.00 57.88 57.58 2bes h LEU 25 Cb 0.92 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.48 2bes h LEU 25 CO 0.08 1.08 0.07 0.11 0.09 0.00 0.00 178.44 179.87 2bes h LYS 26 N 0.33 1.11 0.00 1.13 1.57 -1.38 0.09 116.57 119.41 2bes h LYS 26 Ca -0.02 -0.32 0.00 0.00 -1.87 0.00 0.00 60.65 58.44 2bes h LYS 26 Cb 1.27 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.46 2bes h LYS 26 CO 0.12 1.04 0.00 1.96 -0.57 0.00 0.00 179.45 182.00 2bes h GLN 27 N 1.03 0.00 -0.33 3.15 4.20 -1.35 -3.15 115.11 118.67 2bes h GLN 27 Ca 0.19 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.90 2bes h GLN 27 Cb 0.49 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.27 2bes h GLN 27 CO 0.02 0.00 0.00 0.25 -0.67 0.00 0.00 178.83 178.43 2bes n THR 28 N -2.43 2.17 -0.55 -0.54 -2.24 -0.92 -4.97 114.28 104.79 2bes n THR 28 Ca 0.04 -1.69 0.00 0.00 -2.27 0.00 0.00 64.05 60.13 2bes n THR 28 Cb 0.37 -0.15 0.00 0.00 -2.10 0.00 0.00 70.33 68.45 2bes n THR 28 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2bes n GLY 29 N -0.17 0.74 4.02 3.38 0.00 -1.14 -4.99 105.19 107.02 2bes n GLY 29 Ca 0.21 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.05 2bes n GLY 29 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2bes s HIS 30 N -2.24 2.17 -0.53 1.61 3.76 0.00 -4.48 115.29 115.58 2bes s HIS 30 Ca 0.00 -0.53 0.04 0.00 -0.15 0.00 0.00 55.06 54.42 2bes s HIS 30 Cb 0.00 -2.33 0.15 0.00 1.11 0.00 0.00 32.58 31.51 2bes s HIS 30 CO 0.00 -0.78 0.32 -2.00 -0.85 0.00 0.00 174.74 171.43 2bes s GLU 31 N -4.52 1.77 0.33 1.40 2.12 -0.48 -4.10 118.70 115.21 2bes s GLU 31 Ca 0.58 -2.55 -0.27 0.00 0.36 0.00 0.00 54.97 53.09 2bes s GLU 31 Cb -0.08 -2.83 -0.09 0.00 0.26 0.00 0.00 34.13 31.39 2bes s GLU 31 CO 0.36 -1.20 1.07 -1.25 -0.54 0.00 0.00 175.26 173.70 2bes s PRO 32 N -0.34 4.44 -0.14 4.30 0.04 -1.26 -2.24 135.00 139.80 2bes s PRO 32 Ca 0.21 1.66 -0.01 0.00 0.04 0.00 0.00 61.00 62.90 2bes s PRO 32 Cb -0.17 -2.91 0.03 0.00 0.04 0.00 0.00 34.50 31.49 2bes s PRO 32 CO -0.06 0.08 -0.06 0.42 0.04 0.00 0.00 177.00 177.41 2bes s ILE 33 N -1.38 1.05 -0.35 0.56 1.01 -0.20 -4.93 121.20 116.97 2bes s ILE 33 Ca 0.50 -0.46 -0.25 0.00 0.00 0.00 0.00 60.65 60.43 2bes s ILE 33 Cb -0.27 -1.16 0.01 0.00 0.01 0.00 0.00 42.46 41.05 2bes s ILE 33 CO 0.35 0.23 0.88 -0.62 0.00 0.00 0.00 174.94 175.78 2bes s ASP 34 N 1.68 6.68 0.00 3.58 3.68 -1.26 -1.77 116.67 129.25 2bes s ASP 34 Ca 0.03 0.61 0.27 0.00 2.13 0.00 0.00 52.55 55.58 2bes s ASP 34 Cb -0.14 -2.45 0.83 0.00 -1.45 0.00 0.00 42.92 39.71 2bes s ASP 34 CO -0.08 -0.78 1.61 0.00 0.13 0.00 0.00 175.17 176.06 2bes n GLY 36 N 1.29 2.29 3.77 0.00 0.00 -1.26 -4.90 105.19 106.38 2bes n GLY 36 Ca 0.14 -2.01 -0.38 0.00 0.00 0.00 0.00 46.02 43.77 2bes n GLY 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bes s ALA 37 N -2.46 3.24 -0.76 4.61 0.00 -0.44 -1.51 121.76 124.44 2bes s ALA 37 Ca 0.00 0.69 0.26 0.00 0.00 0.00 0.00 51.96 52.91 2bes s ALA 37 Cb 0.00 -3.25 0.69 0.00 0.00 0.00 0.00 23.12 20.55 2bes s ALA 37 CO 0.00 -0.03 1.61 1.28 0.00 0.00 0.00 175.76 178.63 2bes n LEU 38 N 0.68 0.64 -3.90 0.00 4.77 -1.26 -4.87 117.00 113.06 2bes n LEU 38 Ca 0.01 0.40 -0.09 0.00 -0.03 0.00 0.00 56.01 56.30 2bes n LEU 38 Cb 0.48 -0.29 -0.06 0.00 -2.33 0.00 0.00 43.42 41.21 2bes n LEU 38 CO 0.48 -0.09 0.03 0.00 -1.33 0.00 0.00 177.39 176.49 2bes s ARG 39 N -3.10 1.17 0.00 3.23 1.70 -1.26 -5.13 118.95 115.56 2bes s ARG 39 Ca 0.10 -1.08 -0.30 0.00 -0.47 0.00 0.00 55.73 53.97 2bes s ARG 39 Cb 0.14 0.40 -0.05 0.00 -0.57 0.00 0.00 34.95 34.87 2bes s ARG 39 CO 0.64 -0.44 1.34 -0.47 -1.08 0.00 0.00 175.30 175.29 2bes s TYR 40 N -3.94 3.00 -0.25 5.89 5.04 -1.26 -4.94 117.35 120.90 2bes s TYR 40 Ca 0.14 0.95 -0.03 0.00 -2.44 0.00 0.00 57.07 55.69 2bes s TYR 40 Cb 0.03 -3.60 0.10 0.00 0.35 0.00 0.00 41.96 38.84 2bes s TYR 40 CO -0.02 -2.12 0.19 0.34 -1.34 0.00 0.00 175.55 172.60 2bes s ASP 41 N 1.67 2.37 0.61 4.32 2.15 -1.26 -5.05 116.67 121.48 2bes s ASP 41 Ca 0.62 -0.80 0.29 0.00 0.43 0.00 0.00 52.55 53.09 2bes s ASP 41 Cb -0.30 0.05 1.49 0.00 -0.30 0.00 0.00 42.92 43.86 2bes s ASP 41 CO 0.26 -0.39 1.89 0.00 -0.17 0.00 0.00 175.17 176.77 2bes h ALA 42 N 8.35 1.98 -0.01 3.66 0.00 -1.95 -2.22 119.26 129.07 2bes h ALA 42 Ca -0.17 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.73 2bes h ALA 42 Cb 1.08 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.90 2bes h ALA 42 CO 0.35 -0.63 -0.67 -0.25 0.00 0.00 0.00 179.25 178.06 2bes n ASP 43 N -3.51 1.46 -4.71 0.00 8.00 -1.26 -4.93 116.55 111.59 2bes n ASP 43 Ca 0.06 -1.23 -0.33 0.00 0.71 0.00 0.00 54.79 53.99 2bes n ASP 43 Cb 0.60 0.72 0.11 0.00 -0.02 0.00 0.00 41.12 42.54 2bes n ASP 43 CO 0.00 0.00 0.00 1.51 -0.39 0.00 0.00 177.20 178.32 2bes s ASP 44 N -2.57 3.93 -0.16 -2.24 1.47 -0.84 -5.02 116.67 111.24 2bes s ASP 44 Ca 0.13 2.27 -0.06 0.00 1.18 0.00 0.00 52.55 56.07 2bes s ASP 44 Cb 0.16 -2.58 -0.04 0.00 -0.34 0.00 0.00 42.92 40.12 2bes s ASP 44 CO 0.66 -2.44 0.05 -1.81 0.68 0.00 0.00 175.17 172.31 2bes s ASP 45 N -2.29 5.55 0.26 2.11 1.01 -1.26 -4.69 116.67 117.36 2bes s ASP 45 Ca 0.71 0.10 -0.01 0.00 0.71 0.00 0.00 52.55 54.07 2bes s ASP 45 Cb -0.27 -1.89 0.33 0.00 1.01 0.00 0.00 42.92 42.11 2bes s ASP 45 CO 0.49 0.22 1.71 0.10 0.21 0.00 0.00 175.17 177.90 2bes h TYR 46 N 6.34 0.72 -0.70 4.23 -0.00 -1.95 -3.36 116.97 122.26 2bes h TYR 46 Ca -0.40 -0.14 0.15 0.00 0.00 0.00 0.00 58.73 58.34 2bes h TYR 46 Cb 1.18 -0.18 -0.11 0.00 0.00 0.00 0.00 36.73 37.62 2bes h TYR 46 CO 0.58 0.78 0.14 -1.35 -0.00 0.00 0.00 178.16 178.31 2bes h PRO 47 N 0.59 0.24 -0.73 0.10 0.11 -1.96 -2.36 132.00 127.98 2bes h PRO 47 Ca 0.10 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 66.13 2bes h PRO 47 Cb 0.61 -0.05 -0.03 0.00 0.11 0.00 0.00 31.00 31.64 2bes h PRO 47 CO 0.04 0.16 0.23 0.00 -0.21 0.00 0.00 178.00 178.21 2bes h ALA 48 N 1.59 1.01 -0.29 -0.75 0.00 -2.00 -0.48 119.26 118.34 2bes h ALA 48 Ca 0.39 -0.23 -0.13 0.00 0.00 0.00 0.00 54.91 54.94 2bes h ALA 48 Cb 0.64 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 2bes h ALA 48 CO -0.50 0.66 -0.36 0.74 0.00 0.00 0.00 179.25 179.79 2bes h PHE 49 N 1.09 0.77 0.14 0.00 -1.00 -1.66 -2.23 116.94 114.05 2bes h PHE 49 Ca 0.24 -0.21 -0.29 0.00 2.81 0.00 0.00 57.97 60.52 2bes h PHE 49 Cb 0.31 -0.17 0.02 0.00 3.61 0.00 0.00 35.95 39.72 2bes h PHE 49 CO 0.03 0.92 -1.27 0.00 -1.61 0.00 0.00 178.31 176.38 2bes h ILE 51 N 0.14 1.31 -0.35 0.00 2.04 -1.14 -1.79 117.51 117.71 2bes h ILE 51 Ca -0.17 -1.53 -0.17 0.00 1.00 0.00 0.00 64.86 64.00 2bes h ILE 51 Cb 1.96 1.68 -0.00 0.00 -0.74 0.00 0.00 36.82 39.72 2bes h ILE 51 CO 0.22 0.46 -0.43 0.00 0.00 0.00 0.00 178.15 178.40 2bes h ALA 52 N 1.35 0.53 -0.29 1.87 0.00 -1.40 -1.20 119.26 120.11 2bes h ALA 52 Ca 0.02 -0.47 -0.18 0.00 0.00 0.00 0.00 54.91 54.28 2bes h ALA 52 Cb 0.83 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 2bes h ALA 52 CO 0.07 0.66 -0.52 0.00 0.00 0.00 0.00 179.25 179.46 2bes h ALA 53 N 0.74 0.51 -0.16 0.00 0.00 -1.37 -2.60 119.26 116.39 2bes h ALA 53 Ca 0.05 -0.51 -0.21 0.00 0.00 0.00 0.00 54.91 54.24 2bes h ALA 53 Cb 1.03 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.74 2bes h ALA 53 CO 0.10 0.68 -0.74 0.00 0.00 0.00 0.00 179.25 179.29 2bes h ALA 54 N 0.74 0.38 -0.52 0.00 0.00 -1.35 -2.30 119.26 116.22 2bes h ALA 54 Ca 0.02 -0.59 -0.03 0.00 0.00 0.00 0.00 54.91 54.31 2bes h ALA 54 Cb 1.12 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 2bes h ALA 54 CO 0.12 0.70 0.19 1.15 0.00 0.00 0.00 179.25 181.41 2bes h THR 55 N 0.51 1.22 0.00 0.00 2.02 -1.25 -2.11 112.91 113.31 2bes h THR 55 Ca -0.04 -0.70 -0.12 0.00 0.77 0.00 0.00 66.41 66.32 2bes h THR 55 Cb 1.36 0.71 -0.02 0.00 -1.74 0.00 0.00 68.15 68.46 2bes h THR 55 CO 0.15 0.26 -0.57 0.03 0.37 0.00 0.00 175.52 175.76 2bes h ARG 56 N 0.70 0.00 -0.22 6.66 3.08 -1.50 -2.28 114.38 120.81 2bes h ARG 56 Ca 0.17 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.16 2bes h ARG 56 Cb 0.22 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.26 2bes h ARG 56 CO -0.01 0.57 -0.08 1.15 -1.07 0.00 0.00 179.97 180.53 2bes h THR 57 N 0.00 1.29 -0.35 2.04 2.02 -1.19 -2.47 112.91 114.25 2bes h THR 57 Ca -0.01 -1.11 -0.09 0.00 0.77 0.00 0.00 66.41 65.97 2bes h THR 57 Cb 1.07 1.56 -0.02 0.00 -1.74 0.00 0.00 68.15 69.02 2bes h THR 57 CO 0.07 0.34 -0.16 0.58 0.37 0.00 0.00 175.52 176.72 2bes h VAL 58 N 0.17 1.26 0.00 3.16 2.07 -1.34 -2.75 116.25 118.81 2bes h VAL 58 Ca 0.05 -1.19 0.00 0.00 0.82 0.00 0.00 66.70 66.38 2bes h VAL 58 Cb 0.56 1.16 0.00 0.00 -1.52 0.00 0.00 31.29 31.49 2bes h VAL 58 CO 0.03 0.39 0.00 0.00 0.02 0.00 0.00 177.57 178.01 2bes n ALA 59 N -2.49 2.35 -3.47 1.67 0.00 -0.86 -4.07 120.51 113.65 2bes n ALA 59 Ca 0.01 -0.12 -0.26 0.00 0.00 0.00 0.00 53.44 53.06 2bes n ALA 59 Cb 0.38 -1.45 -0.09 0.00 0.00 0.00 0.00 19.45 18.28 2bes n ALA 59 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2bes n ASP 60 N -1.36 1.81 -4.69 0.00 2.03 -0.94 -5.06 116.55 108.34 2bes n ASP 60 Ca 0.11 -2.98 -0.42 0.00 0.52 0.00 0.00 54.79 52.02 2bes n ASP 60 Cb 0.26 -0.66 -0.00 0.00 -0.72 0.00 0.00 41.12 39.99 2bes n ASP 60 CO 0.00 0.00 0.00 -2.65 -1.92 0.00 0.00 177.20 172.63 2bes n PRO 61 N 1.65 2.04 0.00 -0.67 -0.02 -1.25 -2.03 135.00 134.72 2bes n PRO 61 Ca 0.25 0.72 0.00 0.00 -2.02 0.00 0.00 63.50 62.45 2bes n PRO 61 Cb 0.44 -2.30 0.00 0.00 -0.02 0.00 0.00 33.50 31.62 2bes n PRO 61 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2bes n GLY 62 N 0.81 3.33 3.86 -1.23 0.00 -1.26 -5.06 105.19 105.64 2bes n GLY 62 Ca 0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 2bes n GLY 62 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2bes s SER 63 N -0.52 6.33 0.52 1.61 1.04 -0.86 -4.73 113.70 117.10 2bes s SER 63 Ca 0.00 1.45 0.03 0.00 0.48 0.00 0.00 55.95 57.90 2bes s SER 63 Cb 0.00 -2.47 0.00 0.00 0.10 0.00 0.00 66.02 63.65 2bes s SER 63 CO 0.00 -0.79 0.12 -0.76 0.98 0.00 0.00 173.24 172.79 2bes s LEU 64 N -4.88 2.43 0.01 2.42 1.43 -0.16 -4.92 118.68 115.01 2bes s LEU 64 Ca 0.56 -1.52 -0.19 0.00 -1.03 0.00 0.00 54.13 51.95 2bes s LEU 64 Cb -0.11 -0.88 0.04 0.00 0.03 0.00 0.00 46.19 45.27 2bes s LEU 64 CO 0.48 -0.92 0.41 -0.83 0.23 0.00 0.00 176.35 175.72 2bes s GLY 65 N -3.99 -0.27 -0.05 -3.19 0.00 0.38 -1.71 107.32 98.48 2bes s GLY 65 Ca 0.15 0.47 -0.01 0.00 0.00 0.00 0.00 44.72 45.33 2bes s GLY 65 CO 0.09 0.22 0.02 -0.42 0.00 0.00 0.00 173.10 173.00 2bes s ILE 66 N -1.80 0.18 -0.09 0.90 1.01 -0.53 -2.12 121.20 118.74 2bes s ILE 66 Ca -0.10 0.20 -0.00 0.00 0.00 0.00 0.00 60.65 60.75 2bes s ILE 66 Cb -0.02 -0.35 -0.03 0.00 0.01 0.00 0.00 42.46 42.07 2bes s ILE 66 CO 0.02 0.21 -0.06 0.68 0.00 0.00 0.00 174.94 175.79 2bes s VAL 67 N 1.77 3.74 -0.02 2.92 -7.23 -0.55 -1.51 120.40 119.53 2bes s VAL 67 Ca 0.01 -0.45 0.06 0.00 -1.81 0.00 0.00 61.98 59.79 2bes s VAL 67 Cb -0.13 -2.56 -0.01 0.00 0.56 0.00 0.00 36.38 34.24 2bes s VAL 67 CO -0.04 0.57 -0.19 -0.76 -0.31 0.00 0.00 175.10 174.37 2bes s LEU 68 N -0.46 2.03 0.00 1.32 2.01 0.41 -2.01 118.68 121.98 2bes s LEU 68 Ca 0.07 -0.35 0.00 0.00 0.01 0.00 0.00 54.13 53.86 2bes s LEU 68 Cb -0.12 -1.00 0.00 0.00 0.01 0.00 0.00 46.19 45.08 2bes s LEU 68 CO 0.02 0.23 0.00 0.61 1.01 0.00 0.00 176.35 178.22 2bes n GLY 69 N 2.64 4.27 0.08 -3.19 0.00 -1.12 -2.53 105.19 105.35 2bes n GLY 69 Ca -0.15 -1.02 -0.12 0.00 0.00 0.00 0.00 46.02 44.73 2bes n GLY 69 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2bes h GLY 70 N 0.00 -0.07 0.00 -0.02 0.00 -1.86 -0.21 103.07 100.92 2bes h GLY 70 Ca 0.00 0.03 -0.00 0.00 0.00 0.00 0.00 47.33 47.36 2bes h GLY 70 CO 0.00 -0.03 -1.66 -1.14 0.00 0.00 0.00 176.54 173.72 2bes n SER 71 N -4.80 1.73 0.00 0.19 3.41 -1.26 -2.39 113.62 110.50 2bes n SER 71 Ca -0.08 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.53 2bes n SER 71 Cb 0.32 1.65 0.00 0.00 -0.26 0.00 0.00 64.21 65.92 2bes n SER 71 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2bes n GLY 72 N 1.69 1.35 0.09 5.00 0.00 -1.26 -3.35 105.19 108.71 2bes n GLY 72 Ca -0.03 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.83 2bes n GLY 72 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2bes h ASN 73 N 0.00 0.15 -0.06 1.61 2.35 -1.93 -2.14 115.58 115.56 2bes h ASN 73 Ca 0.00 -0.97 0.02 0.00 -0.55 0.00 0.00 56.30 54.79 2bes h ASN 73 Cb 0.00 -0.05 -0.00 0.00 0.05 0.00 0.00 38.32 38.32 2bes h ASN 73 CO 0.00 1.14 0.05 1.23 -1.65 0.00 0.00 177.43 178.20 2bes h GLY 74 N -0.79 0.00 1.12 2.83 0.00 -1.99 -1.92 103.07 102.32 2bes h GLY 74 Ca -0.06 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 47.03 2bes h GLY 74 CO 0.04 0.00 -0.92 0.83 0.00 0.00 0.00 176.54 176.49 2bes h GLU 75 N 0.00 0.66 -0.00 4.80 3.07 -1.94 -2.49 114.58 118.68 2bes h GLU 75 Ca 0.03 -0.68 -0.16 0.00 -0.50 0.00 0.00 59.36 58.04 2bes h GLU 75 Cb 0.13 0.19 -0.02 0.00 -0.84 0.00 0.00 28.75 28.21 2bes h GLU 75 CO -0.00 1.28 -0.76 -0.56 -1.40 0.00 0.00 179.01 177.56 2bes h GLN 76 N 0.32 0.03 -0.39 2.33 -0.00 -1.19 -2.39 115.11 113.81 2bes h GLN 76 Ca -0.11 -0.03 -0.04 0.00 -0.00 0.00 0.00 58.65 58.47 2bes h GLN 76 Cb 1.58 0.01 -0.02 0.00 -0.00 0.00 0.00 27.48 29.05 2bes h GLN 76 CO 0.18 0.78 0.10 0.82 -0.00 0.00 0.00 178.83 180.71 2bes h ILE 77 N 0.02 1.22 -0.47 1.86 2.04 -1.39 -0.51 117.51 120.28 2bes h ILE 77 Ca -0.01 -0.76 -0.03 0.00 1.00 0.00 0.00 64.86 65.06 2bes h ILE 77 Cb 1.35 0.97 -0.02 0.00 -0.74 0.00 0.00 36.82 38.37 2bes h ILE 77 CO 0.10 0.26 0.18 0.00 0.00 0.00 0.00 178.15 178.70 2bes h ALA 78 N 0.95 0.62 -0.14 1.87 0.00 -1.41 -2.73 119.26 118.42 2bes h ALA 78 Ca 0.12 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 2bes h ALA 78 Cb 0.29 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2bes h ALA 78 CO -0.00 0.23 -0.17 0.00 0.00 0.00 0.00 179.25 179.31 2bes h ALA 79 N 1.03 1.46 0.00 0.00 0.00 -1.30 -2.72 119.26 117.74 2bes h ALA 79 Ca 0.16 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2bes h ALA 79 Cb 0.21 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2bes h ALA 79 CO -0.01 0.38 0.00 0.09 0.00 0.00 0.00 179.25 179.71 2bes n ASN 80 N -4.24 0.71 0.18 0.00 3.02 -0.21 -2.39 115.26 112.32 2bes n ASN 80 Ca -0.01 0.61 0.13 0.00 -0.03 0.00 0.00 54.58 55.28 2bes n ASN 80 Cb 0.30 -0.78 0.37 0.00 -0.61 0.00 0.00 39.78 39.05 2bes n ASN 80 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 2bes h LYS 81 N 0.00 0.00 -6.45 3.52 1.79 -1.29 -3.45 116.57 110.69 2bes h LYS 81 Ca 0.00 0.00 -0.54 0.00 -2.18 0.00 0.00 60.65 57.93 2bes h LYS 81 Cb 0.57 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.23 2bes h LYS 81 CO 0.00 0.00 0.73 0.08 -1.08 0.00 0.00 179.45 179.18 2bes s VAL 82 N -3.26 3.69 0.09 0.50 1.01 -1.01 -4.96 120.40 116.46 2bes s VAL 82 Ca 0.07 1.15 -0.35 0.00 0.00 0.00 0.00 61.98 62.85 2bes s VAL 82 Cb 0.09 -3.74 -0.14 0.00 0.00 0.00 0.00 36.38 32.58 2bes s VAL 82 CO 0.59 0.05 1.57 -2.65 0.00 0.00 0.00 175.10 174.66 2bes n PRO 83 N 4.60 1.88 0.00 2.72 -0.02 -1.26 -2.10 135.00 140.82 2bes n PRO 83 Ca 0.12 0.68 0.00 0.00 -2.02 0.00 0.00 63.50 62.27 2bes n PRO 83 Cb 0.44 -2.43 0.00 0.00 -0.02 0.00 0.00 33.50 31.49 2bes n PRO 83 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2bes n GLY 84 N 3.38 2.16 3.83 -1.23 0.00 -1.26 -4.96 105.19 107.11 2bes n GLY 84 Ca 0.19 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.86 2bes n GLY 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bes s ALA 85 N -2.40 3.38 -0.24 4.61 0.00 -0.89 -4.98 121.76 121.24 2bes s ALA 85 Ca 0.00 0.12 -0.03 0.00 0.00 0.00 0.00 51.96 52.05 2bes s ALA 85 Cb 0.00 -2.80 0.08 0.00 0.00 0.00 0.00 23.12 20.40 2bes s ALA 85 CO 0.00 0.33 0.09 1.03 0.00 0.00 0.00 175.76 177.21 2bes s ARG 86 N -2.37 0.36 -0.27 0.00 0.52 -1.26 -4.82 118.95 111.11 2bes s ARG 86 Ca 0.47 -0.48 -0.01 0.00 -0.52 0.00 0.00 55.73 55.19 2bes s ARG 86 Cb -0.14 -1.71 0.04 0.00 0.52 0.00 0.00 34.95 33.66 2bes s ARG 86 CO 0.20 -0.83 -0.04 0.00 0.02 0.00 0.00 175.30 174.64 2bes s ALA 88 N 1.27 3.44 -0.32 0.00 0.00 -0.90 -4.87 121.76 120.37 2bes s ALA 88 Ca -0.03 -0.83 -0.10 0.00 0.00 0.00 0.00 51.96 51.00 2bes s ALA 88 Cb -0.18 -2.46 -0.00 0.00 0.00 0.00 0.00 23.12 20.47 2bes s ALA 88 CO -0.03 -0.70 0.17 -1.17 0.00 0.00 0.00 175.76 174.02 2bes s LEU 89 N -4.88 4.23 -0.35 0.00 2.96 -1.26 -0.68 118.68 118.71 2bes s LEU 89 Ca 0.53 -0.57 -0.16 0.00 -0.22 0.00 0.00 54.13 53.70 2bes s LEU 89 Cb -0.10 -2.02 -0.01 0.00 0.50 0.00 0.00 46.19 44.56 2bes s LEU 89 CO 0.43 -0.22 0.41 0.00 -1.32 0.00 0.00 176.35 175.64 2bes s ALA 90 N 1.62 3.49 -0.04 5.97 0.00 -0.55 -4.86 121.76 127.38 2bes s ALA 90 Ca 0.04 -1.19 0.02 0.00 0.00 0.00 0.00 51.96 50.84 2bes s ALA 90 Cb -0.17 -2.89 0.04 0.00 0.00 0.00 0.00 23.12 20.10 2bes s ALA 90 CO 0.07 -1.15 1.02 -2.67 0.00 0.00 0.00 175.76 173.03 2bes n TRP 91 N 5.49 0.01 -3.80 0.00 4.27 -1.26 -4.54 117.44 117.61 2bes n TRP 91 Ca -0.08 -0.55 -0.05 0.00 -3.89 0.00 0.00 57.50 52.93 2bes n TRP 91 Cb 0.49 -0.06 -0.01 0.00 -1.36 0.00 0.00 31.31 30.37 2bes n TRP 91 CO 0.00 0.00 0.00 -1.54 -2.29 0.00 0.00 177.69 173.86 2bes s SER 92 N -1.19 -0.16 0.26 -0.67 1.04 -1.26 -5.02 113.70 106.69 2bes s SER 92 Ca 0.04 -0.57 -0.02 0.00 0.48 0.00 0.00 55.95 55.88 2bes s SER 92 Cb 0.03 0.59 0.32 0.00 0.10 0.00 0.00 66.02 67.06 2bes s SER 92 CO 0.01 -1.11 1.74 0.58 0.98 0.00 0.00 173.24 175.43 2bes h VAL 93 N 2.00 1.25 -0.22 5.02 2.07 -1.92 -2.69 116.25 121.77 2bes h VAL 93 Ca -0.24 -1.08 -0.08 0.00 0.82 0.00 0.00 66.70 66.12 2bes h VAL 93 Cb 1.24 0.99 -0.00 0.00 -1.52 0.00 0.00 31.29 31.99 2bes h VAL 93 CO 0.28 0.37 -0.19 -0.61 0.02 0.00 0.00 177.57 177.44 2bes h GLN 94 N 0.69 0.51 0.00 1.57 4.15 -1.97 -2.48 115.11 117.58 2bes h GLN 94 Ca 0.13 -0.26 -0.11 0.00 0.77 0.00 0.00 58.65 59.18 2bes h GLN 94 Cb 0.52 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.20 2bes h GLN 94 CO 0.03 0.83 -0.50 1.79 -1.93 0.00 0.00 178.83 179.05 2bes h THR 95 N 0.20 1.15 -0.41 2.39 1.35 -1.94 -0.73 112.91 114.91 2bes h THR 95 Ca 0.04 -1.86 -0.10 0.00 -0.55 0.00 0.00 66.41 63.93 2bes h THR 95 Cb 0.72 2.07 -0.01 0.00 -1.73 0.00 0.00 68.15 69.20 2bes h THR 95 CO 0.05 0.49 -0.14 0.00 -0.25 0.00 0.00 175.52 175.67 2bes h ALA 96 N 1.50 0.58 -0.40 6.62 0.00 -1.49 -1.78 119.26 124.28 2bes h ALA 96 Ca -0.01 -0.35 -0.15 0.00 0.00 0.00 0.00 54.91 54.41 2bes h ALA 96 Cb 1.03 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 2bes h ALA 96 CO 0.07 0.49 -0.33 0.00 0.00 0.00 0.00 179.25 179.48 2bes h ALA 97 N 0.84 0.59 0.00 0.00 0.00 -1.21 -3.06 119.26 116.41 2bes h ALA 97 Ca 0.10 -0.43 -0.03 0.00 0.00 0.00 0.00 54.91 54.55 2bes h ALA 97 Cb 0.69 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 2bes h ALA 97 CO 0.05 0.65 -0.12 -0.07 0.00 0.00 0.00 179.25 179.76 2bes h LEU 98 N 0.76 0.00 -0.50 0.00 3.38 -1.15 -1.23 115.31 116.57 2bes h LEU 98 Ca 0.07 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.01 2bes h LEU 98 Cb 0.92 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.64 2bes h LEU 98 CO 0.09 0.12 0.16 0.00 0.09 0.00 0.00 178.44 178.90 2bes h ALA 99 N 1.88 0.66 -0.01 1.53 0.00 -1.21 -1.76 119.26 120.34 2bes h ALA 99 Ca -0.00 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.66 2bes h ALA 99 Cb 0.80 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.40 2bes h ALA 99 CO 0.02 0.31 -0.25 0.00 0.00 0.00 0.00 179.25 179.32 2bes h ARG 100 N 0.68 0.19 0.10 0.00 2.47 -1.52 -0.74 114.38 115.56 2bes h ARG 100 Ca 0.16 -0.19 -0.00 0.00 -1.26 0.00 0.00 59.98 58.69 2bes h ARG 100 Cb 0.26 0.05 0.00 0.00 -1.65 0.00 0.00 29.97 28.63 2bes h ARG 100 CO -0.01 0.91 -0.05 1.49 0.56 0.00 0.00 179.97 182.87 2bes h GLU 101 N -0.45 -0.13 0.04 0.04 4.81 -1.24 -2.74 114.58 114.92 2bes h GLU 101 Ca -0.03 0.01 -0.36 0.00 -0.13 0.00 0.00 59.36 58.85 2bes h GLU 101 Cb 0.99 0.03 -0.05 0.00 0.63 0.00 0.00 28.75 30.35 2bes h GLU 101 CO 0.05 0.12 -2.07 0.72 -0.73 0.00 0.00 179.01 177.10 2bes n HIS 102 N -5.04 0.61 1.08 0.92 8.25 -0.67 -2.86 115.22 117.52 2bes n HIS 102 Ca -0.08 0.18 0.12 0.00 -0.26 0.00 0.00 57.72 57.67 2bes n HIS 102 Cb 0.17 -1.07 0.15 0.00 1.12 0.00 0.00 29.99 30.36 2bes n HIS 102 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 2bes n ASN 103 N -3.81 1.21 -3.33 0.41 5.03 -1.08 -4.78 115.26 108.91 2bes n ASN 103 Ca -0.41 -0.97 -0.24 0.00 0.87 0.00 0.00 54.58 53.84 2bes n ASN 103 Cb 0.91 0.42 0.01 0.00 -1.02 0.00 0.00 39.78 40.10 2bes n ASN 103 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 2bes n ASN 104 N -0.80 -4.27 -4.68 6.41 5.15 -0.64 -4.87 115.26 111.57 2bes n ASN 104 Ca 0.08 -0.40 -0.42 0.00 -0.60 0.00 0.00 54.58 53.25 2bes n ASN 104 Cb 0.38 -3.50 -0.03 0.00 -0.53 0.00 0.00 39.78 36.10 2bes n ASN 104 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2bes s ALA 105 N -3.01 3.64 -0.33 5.20 0.00 -0.38 -4.88 121.76 122.00 2bes s ALA 105 Ca 0.40 1.05 0.23 0.00 0.00 0.00 0.00 51.96 53.64 2bes s ALA 105 Cb -0.20 -3.69 0.44 0.00 0.00 0.00 0.00 23.12 19.67 2bes s ALA 105 CO 0.49 -1.17 1.64 1.96 0.00 0.00 0.00 175.76 178.68 2bes h GLN 106 N 8.68 0.00 -5.11 0.00 7.50 -1.82 -3.42 115.11 120.94 2bes h GLN 106 Ca -0.40 0.00 -0.34 0.00 0.50 0.00 0.00 58.65 58.40 2bes h GLN 106 Cb 1.19 0.00 -0.16 0.00 0.05 0.00 0.00 27.48 28.56 2bes h GLN 106 CO 0.93 0.06 -0.72 -0.51 -1.50 0.00 0.00 178.83 177.09 2bes s LEU 107 N -6.25 2.49 0.02 1.46 1.02 -1.10 -0.47 118.68 115.84 2bes s LEU 107 Ca 0.06 -0.95 0.00 0.00 0.02 0.00 0.00 54.13 53.27 2bes s LEU 107 Cb 0.06 -0.38 -0.01 0.00 0.02 0.00 0.00 46.19 45.88 2bes s LEU 107 CO 0.66 -0.29 -0.03 0.27 0.02 0.00 0.00 176.35 176.99 2bes s ILE 108 N -2.98 0.15 -0.10 -0.59 -4.36 -0.90 -2.13 121.20 110.30 2bes s ILE 108 Ca 0.14 -0.62 -0.04 0.00 -0.26 0.00 0.00 60.65 59.86 2bes s ILE 108 Cb 0.00 -0.24 -0.04 0.00 1.25 0.00 0.00 42.46 43.44 2bes s ILE 108 CO 0.01 -0.30 0.09 -0.83 0.24 0.00 0.00 174.94 174.15 2bes s GLY 109 N -0.97 2.04 -0.01 6.27 0.00 0.15 -1.49 107.32 113.31 2bes s GLY 109 Ca -0.09 -0.72 0.03 0.00 0.00 0.00 0.00 44.72 43.94 2bes s GLY 109 CO -0.00 -0.49 -0.11 -0.42 0.00 0.00 0.00 173.10 172.08 2bes s ILE 110 N -1.00 0.86 -0.26 0.90 1.01 -0.85 -1.48 121.20 120.38 2bes s ILE 110 Ca 0.15 -0.45 -0.21 0.00 0.00 0.00 0.00 60.65 60.14 2bes s ILE 110 Cb -0.12 -0.73 -0.01 0.00 0.01 0.00 0.00 42.46 41.61 2bes s ILE 110 CO 0.05 0.25 0.68 -0.83 0.00 0.00 0.00 174.94 175.08 2bes s GLY 111 N -0.13 1.79 0.37 6.18 0.00 -1.21 -2.78 107.32 111.54 2bes s GLY 111 Ca 0.02 -0.38 0.15 0.00 0.00 0.00 0.00 44.72 44.51 2bes s GLY 111 CO -0.00 1.54 1.79 -1.33 0.00 0.00 0.00 173.10 175.09 2bes h GLY 112 N 9.02 0.00 0.88 0.20 0.00 -0.84 -2.79 103.07 109.53 2bes h GLY 112 Ca -0.26 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.07 2bes h GLY 112 CO 0.80 0.00 -0.16 0.54 0.00 0.00 0.00 176.54 177.72 2bes n ARG 113 N -3.85 0.61 0.01 4.80 1.74 -1.01 -4.17 116.66 114.79 2bes n ARG 113 Ca -0.01 -0.24 0.09 0.00 -0.77 0.00 0.00 57.85 56.91 2bes n ARG 113 Cb 0.45 -1.50 -0.13 0.00 -1.02 0.00 0.00 32.46 30.26 2bes n ARG 113 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 2bes n MET 114 N -0.99 0.65 -4.38 5.56 2.81 -1.05 -5.01 117.12 114.71 2bes n MET 114 Ca 0.13 -0.11 -0.19 0.00 -1.81 0.00 0.00 57.70 55.72 2bes n MET 114 Cb 0.30 -1.59 -0.10 0.00 -0.71 0.00 0.00 33.22 31.11 2bes n MET 114 CO 0.00 0.00 0.00 -1.01 1.51 0.00 0.00 175.97 176.47 2bes s HIS 115 N -3.38 1.74 0.82 2.03 3.76 -1.23 -5.08 115.29 113.95 2bes s HIS 115 Ca -0.07 -1.05 -0.08 0.00 -0.15 0.00 0.00 55.06 53.72 2bes s HIS 115 Cb 0.12 -1.08 0.15 0.00 1.11 0.00 0.00 32.58 32.88 2bes s HIS 115 CO 0.88 -0.14 1.13 0.95 -0.85 0.00 0.00 174.74 176.71 2bes s THR 116 N -3.51 2.10 0.09 1.30 -4.23 -1.26 -4.91 115.64 105.22 2bes s THR 116 Ca 0.36 -0.30 -0.18 0.00 -1.18 0.00 0.00 61.69 60.39 2bes s THR 116 Cb 0.08 -2.80 -0.08 0.00 1.34 0.00 0.00 72.50 71.04 2bes s THR 116 CO 0.14 0.00 1.51 0.58 -0.54 0.00 0.00 174.62 176.31 2bes h VAL 117 N -1.00 1.27 -0.69 2.29 2.07 -1.99 -2.53 116.25 115.67 2bes h VAL 117 Ca -0.41 -0.99 -0.02 0.00 0.82 0.00 0.00 66.70 66.10 2bes h VAL 117 Cb 1.26 1.38 -0.03 0.00 -1.52 0.00 0.00 31.29 32.38 2bes h VAL 117 CO 0.42 0.31 0.34 0.00 0.02 0.00 0.00 177.57 178.67 2bes h ALA 118 N 0.80 1.32 -0.18 1.67 0.00 -1.99 -1.82 119.26 119.04 2bes h ALA 118 Ca 0.07 -0.13 -0.15 0.00 0.00 0.00 0.00 54.91 54.71 2bes h ALA 118 Cb 0.47 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2bes h ALA 118 CO 0.02 0.54 -0.51 0.93 0.00 0.00 0.00 179.25 180.22 2bes h GLU 119 N 0.96 0.51 -0.21 0.00 5.08 -1.93 -2.64 114.58 116.36 2bes h GLU 119 Ca 0.24 -0.31 -0.17 0.00 -1.00 0.00 0.00 59.36 58.12 2bes h GLU 119 Cb 0.07 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.35 2bes h GLU 119 CO -0.03 0.91 -0.58 0.00 -1.00 0.00 0.00 179.01 178.31 2bes h ALA 120 N 1.04 0.59 0.00 3.43 0.00 -1.07 -2.54 119.26 120.70 2bes h ALA 120 Ca 0.01 -0.53 -0.11 0.00 0.00 0.00 0.00 54.91 54.29 2bes h ALA 120 Cb 1.04 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 2bes h ALA 120 CO 0.10 0.69 -0.53 -0.07 0.00 0.00 0.00 179.25 179.44 2bes h LEU 121 N 0.50 0.00 -0.63 0.00 3.38 -1.35 -1.93 115.31 115.28 2bes h LEU 121 Ca 0.00 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.84 2bes h LEU 121 Cb 1.15 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.89 2bes h LEU 121 CO 0.11 0.53 -0.41 0.00 0.09 0.00 0.00 178.44 178.76 2bes h ALA 122 N 1.47 0.80 -0.56 1.53 0.00 -1.40 -1.57 119.26 119.54 2bes h ALA 122 Ca -0.01 -0.45 -0.05 0.00 0.00 0.00 0.00 54.91 54.41 2bes h ALA 122 Cb 1.04 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 2bes h ALA 122 CO 0.07 0.65 0.15 0.82 0.00 0.00 0.00 179.25 180.94 2bes h ILE 123 N 0.50 1.24 -0.61 0.00 2.04 -1.18 -2.79 117.51 116.72 2bes h ILE 123 Ca 0.04 -0.85 -0.10 0.00 1.00 0.00 0.00 64.86 64.95 2bes h ILE 123 Cb 0.93 0.73 -0.02 0.00 -0.74 0.00 0.00 36.82 37.72 2bes h ILE 123 CO 0.08 0.32 0.00 0.58 0.00 0.00 0.00 178.15 179.13 2bes h VAL 124 N 0.79 1.27 -0.59 1.67 2.07 -1.23 -2.28 116.25 117.95 2bes h VAL 124 Ca 0.18 -1.15 -0.00 0.00 0.82 0.00 0.00 66.70 66.54 2bes h VAL 124 Cb 0.32 0.79 -0.03 0.00 -1.52 0.00 0.00 31.29 30.85 2bes h VAL 124 CO -0.00 0.42 0.36 0.44 0.02 0.00 0.00 177.57 178.81 2bes h ASP 125 N 0.98 0.71 0.04 0.57 3.32 -1.22 -2.07 116.42 118.74 2bes h ASP 125 Ca 0.17 -0.05 -0.10 0.00 0.02 0.00 0.00 57.03 57.07 2bes h ASP 125 Cb 0.56 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.92 2bes h ASP 125 CO 0.03 0.55 -0.31 0.00 -1.72 0.00 0.00 179.24 177.79 2bes h ALA 126 N 1.19 1.10 -0.42 3.45 0.00 -1.37 -2.73 119.26 120.47 2bes h ALA 126 Ca 0.21 -0.37 -0.13 0.00 0.00 0.00 0.00 54.91 54.62 2bes h ALA 126 Cb -0.03 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 2bes h ALA 126 CO -0.04 0.56 -0.25 0.35 0.00 0.00 0.00 179.25 179.87 2bes h PHE 127 N 0.35 1.07 -0.01 0.00 3.57 -1.01 -2.48 116.94 118.43 2bes h PHE 127 Ca 0.05 -0.28 0.00 0.00 3.53 0.00 0.00 57.97 61.26 2bes h PHE 127 Cb 0.72 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 39.22 2bes h PHE 127 CO 0.02 1.09 -0.29 1.33 -2.23 0.00 0.00 178.31 178.23 2bes n VAL 128 N -4.15 0.00 -0.01 1.41 0.24 -0.82 -4.15 118.33 110.86 2bes n VAL 128 Ca -0.01 -0.11 0.02 0.00 -2.04 0.00 0.00 64.34 62.19 2bes n VAL 128 Cb 0.47 0.39 -0.04 0.00 -1.47 0.00 0.00 33.84 33.19 2bes n VAL 128 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 2bes n THR 129 N -0.75 0.05 -2.47 3.34 -2.24 -1.04 -4.87 114.28 106.30 2bes n THR 129 Ca 0.11 -0.13 -0.43 0.00 -2.27 0.00 0.00 64.05 61.33 2bes n THR 129 Cb 0.35 0.18 -0.02 0.00 -2.10 0.00 0.00 70.33 68.74 2bes n THR 129 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2bes s THR 130 N -2.33 4.33 0.61 4.28 2.01 -0.93 -5.01 115.64 118.60 2bes s THR 130 Ca -0.02 1.63 -0.13 0.00 0.31 0.00 0.00 61.69 63.48 2bes s THR 130 Cb 0.03 -4.05 -0.04 0.00 0.01 0.00 0.00 72.50 68.45 2bes s THR 130 CO 0.22 -0.08 1.03 -2.16 -0.69 0.00 0.00 174.62 172.93 2bes s PRO 131 N 2.92 3.50 -0.01 4.92 0.04 -1.26 -4.77 135.00 140.33 2bes s PRO 131 Ca 0.54 0.89 -0.30 0.00 0.04 0.00 0.00 61.00 62.16 2bes s PRO 131 Cb -0.22 -2.07 -0.04 0.00 0.04 0.00 0.00 34.50 32.21 2bes s PRO 131 CO 0.17 -0.65 1.16 -0.46 0.04 0.00 0.00 177.00 177.26 2bes s TRP 132 N -2.96 3.35 0.34 0.56 -0.00 -1.26 -3.82 118.94 115.14 2bes s TRP 132 Ca 0.57 1.32 0.09 0.00 -0.00 0.00 0.00 56.10 58.08 2bes s TRP 132 Cb -0.12 -3.37 0.61 0.00 -0.00 0.00 0.00 33.47 30.59 2bes s TRP 132 CO 0.48 -1.08 1.79 0.66 -0.00 0.00 0.00 176.95 178.80 2bes h SER 133 N 7.15 0.19 -0.68 5.86 4.64 -1.70 -3.47 113.55 125.53 2bes h SER 133 Ca -0.37 -0.06 -0.29 0.00 -0.47 0.00 0.00 61.79 60.59 2bes h SER 133 Cb 1.18 -0.05 -0.12 0.00 -0.31 0.00 0.00 62.40 63.11 2bes h SER 133 CO 0.84 0.50 -0.27 0.29 -0.87 0.00 0.00 176.83 177.33 2bes n LYS 134 N -4.12 -1.05 -2.21 4.77 5.02 -1.26 -4.98 118.16 114.33 2bes n LYS 134 Ca -0.01 1.00 -0.40 0.00 -2.02 0.00 0.00 58.31 56.88 2bes n LYS 134 Cb 0.40 -5.13 -0.02 0.00 -0.02 0.00 0.00 35.03 30.25 2bes n LYS 134 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2bes s ALA 135 N -2.51 3.40 0.25 7.82 0.00 -1.26 -4.88 121.76 124.58 2bes s ALA 135 Ca 0.00 1.14 -0.03 0.00 0.00 0.00 0.00 51.96 53.07 2bes s ALA 135 Cb 0.00 -3.43 0.49 0.00 0.00 0.00 0.00 23.12 20.18 2bes s ALA 135 CO 0.00 -0.55 1.76 0.37 0.00 0.00 0.00 175.76 177.34 2bes h GLN 136 N 3.26 0.56 -0.19 0.00 4.15 -1.99 -2.16 115.11 118.74 2bes h GLN 136 Ca -0.49 -0.03 -0.13 0.00 0.77 0.00 0.00 58.65 58.77 2bes h GLN 136 Cb 1.23 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 28.78 2bes h GLN 136 CO 0.65 0.37 -0.45 0.07 -1.93 0.00 0.00 178.83 177.54 2bes h ARG 137 N 0.57 0.48 -0.32 1.69 0.11 -1.99 -1.26 114.38 113.66 2bes h ARG 137 Ca 0.44 -0.26 -0.11 0.00 0.10 0.00 0.00 59.98 60.15 2bes h ARG 137 Cb 0.61 0.01 -0.01 0.00 1.11 0.00 0.00 29.97 31.69 2bes h ARG 137 CO -0.36 0.83 -0.22 0.45 0.10 0.00 0.00 179.97 180.77 2bes h HIS 138 N 0.39 0.84 -0.16 4.08 3.86 -1.76 -2.36 115.15 120.04 2bes h HIS 138 Ca 0.03 -0.23 -0.08 0.00 -1.16 0.00 0.00 60.37 58.93 2bes h HIS 138 Cb 0.94 -0.19 -0.01 0.00 1.06 0.00 0.00 27.41 29.21 2bes h HIS 138 CO 0.03 0.96 -0.24 0.37 0.86 0.00 0.00 177.93 179.92 2bes h GLN 139 N 0.48 0.29 -0.54 2.45 5.75 -1.32 -2.03 115.11 120.20 2bes h GLN 139 Ca 0.06 -0.10 -0.10 0.00 -0.15 0.00 0.00 58.65 58.37 2bes h GLN 139 Cb 0.77 -0.03 -0.02 0.00 1.07 0.00 0.00 27.48 29.28 2bes h GLN 139 CO 0.06 0.52 -0.05 -0.09 -2.65 0.00 0.00 178.83 176.62 2bes h ARG 140 N 0.27 0.98 -0.38 1.69 2.43 -1.09 -1.06 114.38 117.23 2bes h ARG 140 Ca 0.04 -0.34 -0.16 0.00 -0.81 0.00 0.00 59.98 58.72 2bes h ARG 140 Cb 0.57 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.04 2bes h ARG 140 CO 0.04 1.01 -0.38 0.00 -1.51 0.00 0.00 179.97 179.13 2bes h ARG 141 N 0.86 0.92 -0.43 0.20 3.08 -1.25 -2.11 114.38 115.65 2bes h ARG 141 Ca 0.15 -0.48 -0.06 0.00 0.07 0.00 0.00 59.98 59.66 2bes h ARG 141 Cb 0.60 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.65 2bes h ARG 141 CO 0.04 1.13 0.03 0.82 -1.07 0.00 0.00 179.97 180.93 2bes h ILE 142 N 0.75 1.22 -0.28 2.04 2.04 -1.27 -2.16 117.51 119.84 2bes h ILE 142 Ca 0.06 -0.85 -0.14 0.00 1.00 0.00 0.00 64.86 64.93 2bes h ILE 142 Cb 0.97 0.85 -0.01 0.00 -0.74 0.00 0.00 36.82 37.90 2bes h ILE 142 CO 0.09 0.30 -0.41 0.44 0.00 0.00 0.00 178.15 178.58 2bes h ASP 143 N 0.64 0.71 -0.41 1.72 5.19 -1.00 -1.15 116.42 122.12 2bes h ASP 143 Ca 0.14 -0.32 -0.06 0.00 -0.62 0.00 0.00 57.03 56.16 2bes h ASP 143 Cb 0.35 -0.20 -0.01 0.00 0.18 0.00 0.00 39.33 39.65 2bes h ASP 143 CO 0.01 1.03 0.01 0.40 -3.12 0.00 0.00 179.24 177.57 2bes h ILE 144 N 0.55 1.26 -0.25 0.35 2.04 -1.15 -1.73 117.51 118.57 2bes h ILE 144 Ca 0.04 -1.00 -0.12 0.00 1.00 0.00 0.00 64.86 64.79 2bes h ILE 144 Cb 0.94 1.10 -0.01 0.00 -0.74 0.00 0.00 36.82 38.10 2bes h ILE 144 CO 0.08 0.34 -0.34 0.25 0.00 0.00 0.00 178.15 178.48 2bes h LEU 145 N 0.55 0.55 -1.04 1.44 5.85 -1.31 -2.15 115.31 119.21 2bes h LEU 145 Ca 0.12 -0.22 -0.09 0.00 0.84 0.00 0.00 57.88 58.53 2bes h LEU 145 Cb 0.47 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 2bes h LEU 145 CO 0.02 0.86 -0.28 0.00 -0.34 0.00 0.00 178.44 178.69 2bes h ALA 146 N 1.18 1.20 -0.11 1.25 0.00 -1.10 -1.64 119.26 120.02 2bes h ALA 146 Ca 0.05 -0.34 -0.17 0.00 0.00 0.00 0.00 54.91 54.45 2bes h ALA 146 Cb 0.81 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 2bes h ALA 146 CO 0.07 0.52 -0.65 1.49 0.00 0.00 0.00 179.25 180.68 2bes h GLU 147 N 0.30 0.44 -0.21 0.00 4.57 -1.02 -2.08 114.58 116.57 2bes h GLU 147 Ca 0.04 -0.32 -0.12 0.00 -1.18 0.00 0.00 59.36 57.78 2bes h GLU 147 Cb 0.66 0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 29.29 2bes h GLU 147 CO 0.05 0.94 -0.37 -0.92 -1.18 0.00 0.00 179.01 177.53 2bes h TYR 148 N 0.32 0.55 0.00 0.92 5.03 -1.18 -2.79 116.97 119.81 2bes h TYR 148 Ca -0.01 -0.15 -0.07 0.00 2.58 0.00 0.00 58.73 61.08 2bes h TYR 148 Cb 1.20 -0.12 -0.01 0.00 1.55 0.00 0.00 36.73 39.35 2bes h TYR 148 CO 0.04 0.78 -0.35 1.49 -1.32 0.00 0.00 178.16 178.80 2bes h GLU 149 N 0.40 0.00 -0.04 1.82 4.81 -1.09 0.54 114.58 121.02 2bes h GLU 149 Ca 0.04 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.23 2bes h GLU 149 Cb 0.83 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.21 2bes h GLU 149 CO 0.07 0.35 -0.14 -0.09 -0.73 0.00 0.00 179.01 178.46 2bes h ARG 150 N 0.00 0.17 0.00 1.92 2.43 -1.15 -3.39 114.38 114.36 2bes h ARG 150 Ca -0.00 -0.13 0.00 0.00 -0.81 0.00 0.00 59.98 59.04 2bes h ARG 150 Cb 0.65 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.22 2bes h ARG 150 CO 0.05 0.76 -1.52 0.25 -1.51 0.00 0.00 179.97 178.00 2bes n THR 151 N -4.62 0.00 -2.54 0.20 -2.24 -1.07 -5.00 114.28 99.00 2bes n THR 151 Ca -0.08 -0.28 -0.20 0.00 -2.27 0.00 0.00 64.05 61.21 2bes n THR 151 Cb 0.40 0.26 -0.00 0.00 -2.10 0.00 0.00 70.33 68.88 2bes n THR 151 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2bes n HIS 152 N -1.90 -1.25 -3.56 4.78 8.25 0.19 -4.97 115.22 116.75 2bes n HIS 152 Ca -0.02 0.11 -0.41 0.00 -0.26 0.00 0.00 57.72 57.13 2bes n HIS 152 Cb 0.32 -3.89 -0.10 0.00 1.12 0.00 0.00 29.99 27.44 2bes n HIS 152 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 2bes s GLU 153 N -5.19 2.79 0.12 -0.41 2.02 -1.26 -5.06 118.70 111.71 2bes s GLU 153 Ca 0.06 -1.23 -0.32 0.00 0.02 0.00 0.00 54.97 53.51 2bes s GLU 153 Cb -0.03 -3.82 -0.12 0.00 0.10 0.00 0.00 34.13 30.27 2bes s GLU 153 CO 0.08 -0.82 1.76 0.00 0.02 0.00 0.00 175.26 176.30 2bes n ALA 154 N 5.01 1.94 -1.78 5.21 0.00 -1.26 -4.77 120.51 124.86 2bes n ALA 154 Ca -0.11 0.36 -0.35 0.00 0.00 0.00 0.00 53.44 53.34 2bes n ALA 154 Cb 0.45 -2.51 -0.01 0.00 0.00 0.00 0.00 19.45 17.38 2bes n ALA 154 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2bes s PRO 155 N 2.17 3.48 0.44 0.00 0.04 -1.26 -4.99 135.00 134.87 2bes s PRO 155 Ca 0.81 1.57 -0.24 0.00 0.04 0.00 0.00 61.00 63.18 2bes s PRO 155 Cb -0.56 -2.05 -0.08 0.00 0.04 0.00 0.00 34.50 31.85 2bes s PRO 155 CO 0.38 -0.74 1.20 -1.25 0.04 0.00 0.00 177.00 176.63 2bes s PRO 156 N -3.24 3.85 0.13 0.56 0.04 -1.26 -5.02 135.00 130.07 2bes s PRO 156 Ca 0.71 1.87 -0.23 0.00 0.04 0.00 0.00 61.00 63.40 2bes s PRO 156 Cb -0.23 -2.54 -0.08 0.00 0.04 0.00 0.00 34.50 31.70 2bes s PRO 156 CO 0.26 -0.50 0.70 0.14 0.04 0.00 0.00 177.00 177.63 2bes s VAL 157 N -1.45 4.51 -2.00 -0.36 -7.23 -1.26 -5.31 120.40 107.31 2bes s VAL 157 Ca 0.61 1.51 0.11 0.00 -1.81 0.00 0.00 61.98 62.40 2bes s VAL 157 Cb -0.31 -4.04 0.32 0.00 0.56 0.00 0.00 36.38 32.91 2bes s VAL 157 CO 0.39 0.52 1.12 -2.65 -0.31 0.00 0.00 175.10 174.17