#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bes s MET 4 N 0.00 3.11 -0.02 1.61 -1.94 -1.26 -4.93 119.30 115.87 2bes s MET 4 Ca 0.00 -0.65 -0.30 0.00 -1.71 0.00 0.00 55.69 53.03 2bes s MET 4 Cb 0.00 -2.60 -0.04 0.00 2.01 0.00 0.00 34.83 34.21 2bes s MET 4 CO 0.00 0.38 1.13 0.50 -0.01 0.00 0.00 175.02 177.02 2bes s ARG 5 N -0.08 4.42 -0.13 2.03 3.52 -1.26 -1.92 118.95 125.52 2bes s ARG 5 Ca -0.01 1.61 -0.01 0.00 -0.13 0.00 0.00 55.73 57.19 2bes s ARG 5 Cb -0.14 -3.48 0.03 0.00 -1.56 0.00 0.00 34.95 29.81 2bes s ARG 5 CO 0.03 -0.31 -0.05 0.08 -0.81 0.00 0.00 175.30 174.25 2bes s VAL 6 N 1.66 0.94 -0.31 7.11 1.01 -0.97 -1.17 120.40 128.68 2bes s VAL 6 Ca 0.55 -0.39 -0.22 0.00 0.00 0.00 0.00 61.98 61.92 2bes s VAL 6 Cb -0.24 -1.08 -0.00 0.00 0.00 0.00 0.00 36.38 35.06 2bes s VAL 6 CO 0.24 0.22 0.70 -0.31 0.00 0.00 0.00 175.10 175.96 2bes s TYR 7 N 1.72 3.20 -0.12 5.22 1.51 -0.64 -0.91 117.35 127.33 2bes s TYR 7 Ca 0.03 0.68 -0.03 0.00 -1.01 0.00 0.00 57.07 56.74 2bes s TYR 7 Cb -0.14 -3.11 -0.03 0.00 -0.11 0.00 0.00 41.96 38.57 2bes s TYR 7 CO -0.08 -0.53 -0.01 -0.51 -1.11 0.00 0.00 175.55 173.32 2bes s LEU 8 N 2.78 3.48 0.05 -1.29 1.02 -0.65 -1.85 118.68 122.22 2bes s LEU 8 Ca 0.29 0.03 0.04 0.00 0.02 0.00 0.00 54.13 54.51 2bes s LEU 8 Cb -0.14 -1.82 -0.02 0.00 0.02 0.00 0.00 46.19 44.22 2bes s LEU 8 CO 0.12 0.28 -0.12 -0.83 0.02 0.00 0.00 176.35 175.82 2bes s GLY 9 N -0.28 0.70 -0.15 -3.19 0.00 -0.71 -1.15 107.32 102.54 2bes s GLY 9 Ca 0.06 -0.84 -0.30 0.00 0.00 0.00 0.00 44.72 43.64 2bes s GLY 9 CO 0.02 -0.85 0.97 0.00 0.00 0.00 0.00 173.10 173.23 2bes s ALA 10 N -1.13 -1.92 0.22 3.20 0.00 -0.52 -0.80 121.76 120.81 2bes s ALA 10 Ca -0.03 1.57 0.00 0.00 0.00 0.00 0.00 51.96 53.50 2bes s ALA 10 Cb -0.09 -0.66 0.00 0.00 0.00 0.00 0.00 23.12 22.37 2bes s ALA 10 CO 0.01 -0.31 0.00 -0.40 0.00 0.00 0.00 175.76 175.06 2bes n ASP 11 N 0.79 0.00 -0.08 0.00 5.75 -1.11 -1.31 116.55 120.58 2bes n ASP 11 Ca -0.11 -0.95 0.06 0.00 -0.01 0.00 0.00 54.79 53.77 2bes n ASP 11 Cb 0.58 0.00 0.41 0.00 -1.03 0.00 0.00 41.12 41.07 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 -0.21 0.60 0.00 2.11 2.07 -1.85 -1.02 115.15 116.85 2bes h HIS 12 Ca 0.00 0.01 -0.08 0.00 -2.85 0.00 0.00 60.37 57.45 2bes h HIS 12 Cb 0.00 -0.20 -0.01 0.00 2.57 0.00 0.00 27.41 29.77 2bes h HIS 12 CO 0.00 0.34 -0.39 0.00 -3.07 0.00 0.00 177.93 174.81 2bes h ALA 13 N 1.68 1.08 -0.22 6.11 0.00 -1.91 -2.96 119.26 123.05 2bes h ALA 13 Ca 0.23 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2bes h ALA 13 Cb 0.14 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2bes h ALA 13 CO -0.06 0.49 0.00 0.41 0.00 0.00 0.00 179.25 180.09 2bes n GLY 14 N 0.03 3.79 0.09 0.00 0.00 -1.00 -4.45 105.19 103.65 2bes n GLY 14 Ca -0.01 -0.82 -0.13 0.00 0.00 0.00 0.00 46.02 45.07 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 1.45 -0.10 -0.79 1.61 3.20 -1.02 -2.03 116.97 119.30 2bes h TYR 15 Ca 0.00 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.85 2bes h TYR 15 Cb 1.14 0.03 -0.04 0.00 1.54 0.00 0.00 36.73 39.40 2bes h TYR 15 CO 0.32 0.37 0.40 0.93 -1.64 0.00 0.00 178.16 178.54 2bes h GLU 16 N -0.61 1.11 -0.17 1.82 4.39 -1.86 -2.18 114.58 117.07 2bes h GLU 16 Ca -0.01 -0.14 -0.11 0.00 0.34 0.00 0.00 59.36 59.44 2bes h GLU 16 Cb 0.51 -0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 28.93 2bes h GLU 16 CO 0.02 0.83 -0.37 1.25 -1.16 0.00 0.00 179.01 179.58 2bes h LEU 17 N 1.11 0.38 -0.82 1.33 5.85 -1.89 -2.86 115.31 118.41 2bes h LEU 17 Ca 0.28 -0.15 -0.07 0.00 0.84 0.00 0.00 57.88 58.77 2bes h LEU 17 Cb 0.07 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 40.97 2bes h LEU 17 CO -0.04 0.72 0.08 0.50 -0.34 0.00 0.00 178.44 179.36 2bes h LYS 18 N 0.31 0.96 -0.21 1.25 3.64 -0.76 -1.44 116.57 120.33 2bes h LYS 18 Ca 0.03 -0.25 -0.11 0.00 -1.27 0.00 0.00 60.65 59.06 2bes h LYS 18 Cb 0.80 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.49 2bes h LYS 18 CO 0.06 0.90 -0.35 1.96 -2.27 0.00 0.00 179.45 179.76 2bes h GLN 19 N 0.90 0.44 -0.02 1.90 1.08 -1.30 -0.71 115.11 117.40 2bes h GLN 19 Ca 0.18 -0.20 -0.14 0.00 -1.45 0.00 0.00 58.65 57.04 2bes h GLN 19 Cb 0.42 -0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.82 2bes h GLN 19 CO 0.01 0.73 -0.65 0.00 -0.95 0.00 0.00 178.83 177.98 2bes h ARG 20 N 0.38 0.09 0.01 1.46 3.08 -1.28 -2.51 114.38 115.61 2bes h ARG 20 Ca 0.04 -0.07 -0.19 0.00 0.07 0.00 0.00 59.98 59.84 2bes h ARG 20 Cb 0.79 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.83 2bes h ARG 20 CO 0.06 0.71 -0.87 0.82 -1.07 0.00 0.00 179.97 179.62 2bes h ILE 21 N 0.06 1.58 -0.49 2.04 2.04 -1.01 -1.80 117.51 119.94 2bes h ILE 21 Ca -0.01 -2.87 -0.10 0.00 1.00 0.00 0.00 64.86 62.89 2bes h ILE 21 Cb 1.16 2.57 -0.02 0.00 -0.74 0.00 0.00 36.82 39.79 2bes h ILE 21 CO 0.09 0.82 -0.07 0.40 0.00 0.00 0.00 178.15 179.40 2bes h ILE 22 N 0.03 1.27 -0.28 -0.67 2.04 -1.05 -1.13 117.51 117.71 2bes h ILE 22 Ca -0.02 -1.19 -0.16 0.00 1.00 0.00 0.00 64.86 64.49 2bes h ILE 22 Cb 1.53 1.03 -0.01 0.00 -0.74 0.00 0.00 36.82 38.64 2bes h ILE 22 CO 0.12 0.41 -0.47 -0.08 0.00 0.00 0.00 178.15 178.13 2bes h GLU 23 N 0.77 0.75 -0.28 2.37 4.57 -1.45 -2.74 114.58 118.57 2bes h GLU 23 Ca 0.13 -0.43 -0.15 0.00 -1.18 0.00 0.00 59.36 57.73 2bes h GLU 23 Cb 0.61 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.23 2bes h GLU 23 CO 0.04 1.06 -0.41 1.25 -1.18 0.00 0.00 179.01 179.76 2bes h HIS 24 N 0.59 0.82 -0.18 0.92 2.76 -1.24 -2.68 115.15 116.16 2bes h HIS 24 Ca 0.03 -0.25 -0.14 0.00 -2.20 0.00 0.00 60.37 57.81 2bes h HIS 24 Cb 1.04 -0.17 -0.01 0.00 1.55 0.00 0.00 27.41 29.82 2bes h HIS 24 CO 0.06 0.99 -0.49 -0.07 -1.30 0.00 0.00 177.93 177.12 2bes h LEU 25 N 0.56 0.51 -0.61 0.26 3.38 -1.22 -2.68 115.31 115.52 2bes h LEU 25 Ca 0.04 -0.25 -0.07 0.00 0.09 0.00 0.00 57.88 57.69 2bes h LEU 25 Cb 0.95 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.53 2bes h LEU 25 CO 0.09 0.92 0.09 0.11 0.09 0.00 0.00 178.44 179.74 2bes h LYS 26 N 0.38 1.01 0.00 1.13 1.57 -1.39 -0.90 116.57 118.36 2bes h LYS 26 Ca 0.02 -0.27 -0.04 0.00 -1.87 0.00 0.00 60.65 58.49 2bes h LYS 26 Cb 0.99 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 33.18 2bes h LYS 26 CO 0.09 0.95 -0.18 1.96 -0.57 0.00 0.00 179.45 181.70 2bes h GLN 27 N 0.91 0.00 -0.51 3.15 4.20 -1.34 -3.12 115.11 118.40 2bes h GLN 27 Ca 0.18 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.79 2bes h GLN 27 Cb 0.44 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.15 2bes h GLN 27 CO 0.01 0.18 0.10 0.25 -0.67 0.00 0.00 178.83 178.70 2bes n THR 28 N -3.36 2.66 -0.78 -0.54 -2.24 -1.02 -4.95 114.28 104.05 2bes n THR 28 Ca 0.00 -1.81 0.00 0.00 -2.27 0.00 0.00 64.05 59.97 2bes n THR 28 Cb 0.39 -0.31 0.00 0.00 -2.10 0.00 0.00 70.33 68.31 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 -0.25 0.63 4.00 3.38 0.00 -1.17 -4.96 105.19 106.82 2bes n GLY 29 Ca 0.31 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.13 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 -2.14 2.01 -0.53 1.61 3.76 -0.36 -4.22 115.29 115.41 2bes s HIS 30 Ca 0.00 -0.38 0.04 0.00 -0.15 0.00 0.00 55.06 54.57 2bes s HIS 30 Cb 0.00 -2.60 0.15 0.00 1.11 0.00 0.00 32.58 31.24 2bes s HIS 30 CO 0.00 -1.15 0.35 -2.00 -0.85 0.00 0.00 174.74 171.09 2bes s GLU 31 N -4.78 1.70 0.33 1.40 2.12 -0.81 -4.31 118.70 114.35 2bes s GLU 31 Ca 0.61 -2.56 -0.28 0.00 0.36 0.00 0.00 54.97 53.11 2bes s GLU 31 Cb -0.07 -2.65 -0.09 0.00 0.26 0.00 0.00 34.13 31.57 2bes s GLU 31 CO 0.40 -1.24 1.12 -1.25 -0.54 0.00 0.00 175.26 173.75 2bes s PRO 32 N -0.40 4.43 -0.18 4.30 0.04 -1.26 -2.29 135.00 139.65 2bes s PRO 32 Ca 0.23 1.80 -0.00 0.00 0.04 0.00 0.00 61.00 63.06 2bes s PRO 32 Cb -0.12 -2.98 0.04 0.00 0.04 0.00 0.00 34.50 31.48 2bes s PRO 32 CO -0.09 0.03 -0.06 0.42 0.04 0.00 0.00 177.00 177.33 2bes s ILE 33 N -1.29 1.22 -0.38 0.56 1.01 -0.08 -4.93 121.20 117.32 2bes s ILE 33 Ca 0.49 -0.73 -0.27 0.00 0.00 0.00 0.00 60.65 60.14 2bes s ILE 33 Cb -0.31 -1.39 0.02 0.00 0.01 0.00 0.00 42.46 40.79 2bes s ILE 33 CO 0.39 0.12 1.01 -0.62 0.00 0.00 0.00 174.94 175.84 2bes s ASP 34 N 1.58 6.74 0.00 3.58 3.68 -1.26 -1.64 116.67 129.34 2bes s ASP 34 Ca -0.00 0.68 0.27 0.00 2.13 0.00 0.00 52.55 55.62 2bes s ASP 34 Cb -0.16 -2.50 0.83 0.00 -1.45 0.00 0.00 42.92 39.64 2bes s ASP 34 CO -0.08 -0.94 1.62 0.00 0.13 0.00 0.00 175.17 175.91 2bes n GLY 36 N 1.42 2.81 3.77 0.00 0.00 -1.26 -4.91 105.19 107.02 2bes n GLY 36 Ca 0.09 -1.98 -0.38 0.00 0.00 0.00 0.00 46.02 43.75 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 -2.83 3.27 -0.53 4.61 0.00 -0.43 -1.44 121.76 124.40 2bes s ALA 37 Ca 0.00 0.64 0.24 0.00 0.00 0.00 0.00 51.96 52.84 2bes s ALA 37 Cb 0.00 -3.23 0.46 0.00 0.00 0.00 0.00 23.12 20.35 2bes s ALA 37 CO 0.00 0.08 1.57 -0.07 0.00 0.00 0.00 175.76 177.34 2bes h LEU 38 N 3.49 0.00 -8.24 0.00 3.38 -1.92 -3.46 115.31 108.56 2bes h LEU 38 Ca -0.46 -0.02 -0.14 0.00 0.09 0.00 0.00 57.88 57.35 2bes h LEU 38 Cb 1.20 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.82 2bes h LEU 38 CO 0.66 0.01 -0.44 0.00 0.09 0.00 0.00 178.44 178.76 2bes s ARG 39 N -3.19 1.10 -0.19 1.13 1.70 -1.26 -5.13 118.95 113.11 2bes s ARG 39 Ca 0.07 -1.29 -0.29 0.00 -0.47 0.00 0.00 55.73 53.75 2bes s ARG 39 Cb 0.09 0.33 -0.02 0.00 -0.57 0.00 0.00 34.95 34.78 2bes s ARG 39 CO 0.66 -0.38 1.42 -0.47 -1.08 0.00 0.00 175.30 175.46 2bes s TYR 40 N -4.01 2.49 -0.28 5.89 5.04 -1.26 -4.95 117.35 120.27 2bes s TYR 40 Ca 0.21 0.73 -0.01 0.00 -2.44 0.00 0.00 57.07 55.56 2bes s TYR 40 Cb 0.05 -3.78 0.09 0.00 0.35 0.00 0.00 41.96 38.66 2bes s TYR 40 CO 0.02 -2.34 0.07 0.34 -1.34 0.00 0.00 175.55 172.29 2bes s ASP 41 N 2.94 3.81 0.64 4.32 -1.08 -1.26 -5.03 116.67 121.00 2bes s ASP 41 Ca 0.62 -1.44 0.34 0.00 -0.52 0.00 0.00 52.55 51.55 2bes s ASP 41 Cb -0.23 -0.86 1.91 0.00 -1.46 0.00 0.00 42.92 42.28 2bes s ASP 41 CO 0.23 -0.38 2.14 0.00 0.52 0.00 0.00 175.17 177.68 2bes h ALA 42 N 8.10 1.40 -0.01 3.66 0.00 -1.95 -2.51 119.26 127.95 2bes h ALA 42 Ca -0.14 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2bes h ALA 42 Cb 1.04 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.84 2bes h ALA 42 CO 0.44 -0.21 -0.30 -0.25 0.00 0.00 0.00 179.25 178.93 2bes n ASP 43 N -3.30 1.81 -4.69 0.00 8.00 -1.26 -4.93 116.55 112.18 2bes n ASP 43 Ca -0.01 -1.41 -0.31 0.00 0.71 0.00 0.00 54.79 53.78 2bes n ASP 43 Cb 0.26 0.40 0.15 0.00 -0.02 0.00 0.00 41.12 41.91 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 -1.91 3.20 -0.16 -2.24 1.47 -0.94 -5.03 116.67 111.05 2bes s ASP 44 Ca 0.15 1.97 -0.05 0.00 1.18 0.00 0.00 52.55 55.80 2bes s ASP 44 Cb 0.14 -2.50 -0.03 0.00 -0.34 0.00 0.00 42.92 40.19 2bes s ASP 44 CO 0.40 -2.89 0.01 -1.81 0.68 0.00 0.00 175.17 171.56 2bes s ASP 45 N -2.91 5.22 0.24 2.11 1.01 -1.26 -4.73 116.67 116.35 2bes s ASP 45 Ca 0.65 -0.01 -0.03 0.00 0.71 0.00 0.00 52.55 53.87 2bes s ASP 45 Cb -0.21 -1.85 0.27 0.00 1.01 0.00 0.00 42.92 42.13 2bes s ASP 45 CO 0.58 0.19 1.69 0.10 0.21 0.00 0.00 175.17 177.94 2bes h TYR 46 N 6.59 0.84 -0.90 4.23 -0.00 -1.95 -3.36 116.97 122.42 2bes h TYR 46 Ca -0.35 -0.16 0.18 0.00 0.00 0.00 0.00 58.73 58.40 2bes h TYR 46 Cb 1.18 -0.21 -0.11 0.00 0.00 0.00 0.00 36.73 37.59 2bes h TYR 46 CO 0.55 0.84 0.47 -1.35 -0.00 0.00 0.00 178.16 178.67 2bes h PRO 47 N 0.68 0.58 -0.57 0.10 0.11 -1.97 -2.38 132.00 128.56 2bes h PRO 47 Ca 0.11 -0.03 -0.09 0.00 0.11 0.00 0.00 66.00 66.09 2bes h PRO 47 Cb 0.61 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 31.57 2bes h PRO 47 CO 0.04 0.38 -0.01 0.00 -0.21 0.00 0.00 178.00 178.20 2bes h ALA 48 N 1.62 0.76 -0.04 -0.75 0.00 -2.00 -1.14 119.26 117.72 2bes h ALA 48 Ca 0.52 -0.31 -0.13 0.00 0.00 0.00 0.00 54.91 55.00 2bes h ALA 48 Cb 0.83 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 2bes h ALA 48 CO -0.41 0.60 -0.56 0.74 0.00 0.00 0.00 179.25 179.62 2bes h PHE 49 N 0.89 0.13 0.13 0.00 -1.00 -1.67 -2.53 116.94 112.90 2bes h PHE 49 Ca 0.16 -0.05 -0.29 0.00 2.81 0.00 0.00 57.97 60.60 2bes h PHE 49 Cb 0.56 -0.03 0.00 0.00 3.61 0.00 0.00 35.95 40.10 2bes h PHE 49 CO 0.04 0.64 -1.34 0.00 -1.61 0.00 0.00 178.31 176.04 2bes h ILE 51 N 0.08 1.30 0.00 0.00 2.04 -1.26 -1.99 117.51 117.68 2bes h ILE 51 Ca -0.17 -1.52 -0.00 0.00 1.00 0.00 0.00 64.86 64.16 2bes h ILE 51 Cb 2.00 1.53 0.00 0.00 -0.74 0.00 0.00 36.82 39.60 2bes h ILE 51 CO 0.19 0.48 -0.00 0.00 0.00 0.00 0.00 178.15 178.82 2bes h ALA 52 N 1.14 -0.00 -0.80 1.87 0.00 -1.48 -0.96 119.26 119.03 2bes h ALA 52 Ca 0.04 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 2bes h ALA 52 Cb 0.86 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.62 2bes h ALA 52 CO 0.07 -0.36 0.41 0.00 0.00 0.00 0.00 179.25 179.38 2bes h ALA 53 N 0.70 1.02 -0.16 0.00 0.00 -1.46 -2.08 119.26 117.28 2bes h ALA 53 Ca -0.00 -0.14 -0.16 0.00 0.00 0.00 0.00 54.91 54.61 2bes h ALA 53 Cb 0.29 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2bes h ALA 53 CO 0.00 0.56 -0.57 0.00 0.00 0.00 0.00 179.25 179.24 2bes h ALA 54 N 1.22 0.72 -0.32 0.00 0.00 -1.35 -2.49 119.26 117.05 2bes h ALA 54 Ca 0.28 -0.52 -0.14 0.00 0.00 0.00 0.00 54.91 54.53 2bes h ALA 54 Cb 0.07 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 2bes h ALA 54 CO -0.04 0.70 -0.34 1.15 0.00 0.00 0.00 179.25 180.72 2bes h THR 55 N 0.37 1.29 0.00 0.00 2.02 -0.98 -2.81 112.91 112.80 2bes h THR 55 Ca 0.00 -1.51 -0.11 0.00 0.77 0.00 0.00 66.41 65.57 2bes h THR 55 Cb 1.10 1.53 -0.02 0.00 -1.74 0.00 0.00 68.15 69.03 2bes h THR 55 CO 0.10 0.49 -0.51 0.03 0.37 0.00 0.00 175.52 176.01 2bes h ARG 56 N 0.55 0.00 -0.29 6.66 3.08 -1.40 -2.43 114.38 120.55 2bes h ARG 56 Ca 0.05 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 59.98 2bes h ARG 56 Cb 0.92 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.96 2bes h ARG 56 CO 0.08 0.51 -0.26 1.15 -1.07 0.00 0.00 179.97 180.38 2bes h THR 57 N 0.00 1.30 -0.10 2.04 2.02 -1.41 -2.86 112.91 113.90 2bes h THR 57 Ca -0.01 -1.42 -0.18 0.00 0.77 0.00 0.00 66.41 65.57 2bes h THR 57 Cb 1.11 1.55 -0.00 0.00 -1.74 0.00 0.00 68.15 69.06 2bes h THR 57 CO 0.07 0.45 -0.70 0.58 0.37 0.00 0.00 175.52 176.29 2bes h VAL 58 N 0.44 1.36 0.00 3.16 2.07 -1.46 -3.01 116.25 118.81 2bes h VAL 58 Ca 0.05 -2.05 0.00 0.00 0.82 0.00 0.00 66.70 65.52 2bes h VAL 58 Cb 0.82 2.03 0.00 0.00 -1.52 0.00 0.00 31.29 32.63 2bes h VAL 58 CO 0.07 0.62 0.00 0.00 0.02 0.00 0.00 177.57 178.28 2bes n ALA 59 N -2.52 2.58 -3.50 1.67 0.00 -0.92 -4.08 120.51 113.74 2bes n ALA 59 Ca -0.04 -0.18 -0.27 0.00 0.00 0.00 0.00 53.44 52.95 2bes n ALA 59 Cb 0.69 -1.49 -0.10 0.00 0.00 0.00 0.00 19.45 18.55 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 -1.07 1.10 -4.69 0.00 2.03 -1.08 -5.06 116.55 107.77 2bes n ASP 60 Ca 0.20 -2.79 -0.43 0.00 0.52 0.00 0.00 54.79 52.30 2bes n ASP 60 Cb 0.14 -0.64 -0.01 0.00 -0.72 0.00 0.00 41.12 39.89 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 2.10 2.12 0.00 -0.67 -0.02 -1.26 -2.31 135.00 134.96 2bes n PRO 61 Ca 0.26 0.75 0.00 0.00 -2.02 0.00 0.00 63.50 62.48 2bes n PRO 61 Cb 0.45 -2.36 0.00 0.00 -0.02 0.00 0.00 33.50 31.57 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 1.24 2.97 3.90 -1.23 0.00 -1.26 -5.07 105.19 105.74 2bes n GLY 62 Ca 0.07 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.16 5.89 0.44 1.61 1.04 -0.98 -4.79 113.70 116.76 2bes s SER 63 Ca 0.00 0.96 0.00 0.00 0.48 0.00 0.00 55.95 57.39 2bes s SER 63 Cb 0.00 -2.03 0.00 0.00 0.10 0.00 0.00 66.02 64.09 2bes s SER 63 CO 0.00 -0.92 0.04 0.18 0.98 0.00 0.00 173.24 173.53 2bes n LEU 64 N -2.57 0.00 -3.61 2.42 4.77 -0.32 -4.92 117.00 112.77 2bes n LEU 64 Ca 0.04 -2.67 -0.16 0.00 -0.03 0.00 0.00 56.01 53.19 2bes n LEU 64 Cb 0.56 0.26 -0.07 0.00 -2.33 0.00 0.00 43.42 41.84 2bes n LEU 64 CO 0.54 -0.40 0.29 -0.83 -1.33 0.00 0.00 177.39 175.66 2bes s GLY 65 N -3.42 -0.42 -0.06 -0.72 0.00 0.36 -1.63 107.32 101.42 2bes s GLY 65 Ca 0.03 0.96 0.00 0.00 0.00 0.00 0.00 44.72 45.71 2bes s GLY 65 CO 0.02 0.65 -0.04 -0.42 0.00 0.00 0.00 173.10 173.32 2bes s ILE 66 N -1.24 0.56 -0.11 0.90 1.01 -0.77 -2.18 121.20 119.37 2bes s ILE 66 Ca -0.12 -0.07 -0.00 0.00 0.00 0.00 0.00 60.65 60.46 2bes s ILE 66 Cb -0.02 -0.62 -0.02 0.00 0.01 0.00 0.00 42.46 41.81 2bes s ILE 66 CO 0.08 0.26 -0.10 0.68 0.00 0.00 0.00 174.94 175.86 2bes s VAL 67 N 1.35 3.36 0.00 2.92 -7.23 -0.47 -1.74 120.40 118.60 2bes s VAL 67 Ca -0.04 -0.57 0.08 0.00 -1.81 0.00 0.00 61.98 59.63 2bes s VAL 67 Cb -0.13 -2.40 -0.02 0.00 0.56 0.00 0.00 36.38 34.38 2bes s VAL 67 CO -0.03 0.55 -0.24 -0.76 -0.31 0.00 0.00 175.10 174.31 2bes s LEU 68 N -0.08 2.08 0.00 1.32 2.01 0.01 -1.87 118.68 122.16 2bes s LEU 68 Ca -0.01 -0.47 0.00 0.00 0.01 0.00 0.00 54.13 53.67 2bes s LEU 68 Cb -0.14 -1.19 0.00 0.00 0.01 0.00 0.00 46.19 44.87 2bes s LEU 68 CO 0.03 0.27 0.00 0.61 1.01 0.00 0.00 176.35 178.27 2bes n GLY 69 N 2.29 4.40 0.07 -3.19 0.00 -1.06 -2.75 105.19 104.94 2bes n GLY 69 Ca -0.16 -0.94 -0.12 0.00 0.00 0.00 0.00 46.02 44.80 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 -0.01 0.00 -0.02 0.00 -1.84 -1.47 103.07 99.73 2bes h GLY 70 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.22 2bes h GLY 70 CO 0.00 -0.00 -1.86 -1.14 0.00 0.00 0.00 176.54 173.53 2bes n SER 71 N -4.66 1.30 0.00 0.19 3.41 -1.26 -2.47 113.62 110.12 2bes n SER 71 Ca -0.09 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.52 2bes n SER 71 Cb 0.40 1.37 0.00 0.00 -0.26 0.00 0.00 64.21 65.72 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 1.79 1.25 0.14 5.00 0.00 -1.26 -2.91 105.19 109.20 2bes n GLY 72 Ca -0.12 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.67 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 0.67 0.90 1.61 2.35 -1.93 -2.29 115.58 116.89 2bes h ASN 73 Ca 0.00 -0.93 -0.06 0.00 -0.55 0.00 0.00 56.30 54.77 2bes h ASN 73 Cb 0.00 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.14 2bes h ASN 73 CO 0.00 1.61 -0.26 1.23 -1.65 0.00 0.00 177.43 178.36 2bes h GLY 74 N 0.02 0.00 1.22 2.83 0.00 -1.99 -2.03 103.07 103.12 2bes h GLY 74 Ca -0.23 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 46.84 2bes h GLY 74 CO 0.21 0.00 -0.99 0.83 0.00 0.00 0.00 176.54 176.59 2bes h GLU 75 N 0.00 0.71 -0.04 4.80 3.07 -1.95 -2.42 114.58 118.76 2bes h GLU 75 Ca -0.00 -0.73 -0.20 0.00 -0.50 0.00 0.00 59.36 57.93 2bes h GLU 75 Cb 0.78 0.20 -0.00 0.00 -0.84 0.00 0.00 28.75 28.88 2bes h GLU 75 CO 0.03 1.31 -0.82 -0.56 -1.40 0.00 0.00 179.01 177.57 2bes h GLN 76 N 0.42 0.37 -0.82 2.33 -0.00 -1.36 -2.39 115.11 113.67 2bes h GLN 76 Ca -0.11 -0.34 0.01 0.00 -0.00 0.00 0.00 58.65 58.20 2bes h GLN 76 Cb 1.64 0.09 -0.04 0.00 -0.00 0.00 0.00 27.48 29.16 2bes h GLN 76 CO 0.20 1.01 0.53 0.82 -0.00 0.00 0.00 178.83 181.39 2bes h ILE 77 N 0.23 1.21 -0.38 1.86 2.04 -1.39 -0.71 117.51 120.37 2bes h ILE 77 Ca -0.05 -0.40 -0.12 0.00 1.00 0.00 0.00 64.86 65.29 2bes h ILE 77 Cb 1.42 0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 37.51 2bes h ILE 77 CO 0.14 0.21 -0.22 0.00 0.00 0.00 0.00 178.15 178.28 2bes h ALA 78 N 1.29 0.54 -0.06 1.87 0.00 -1.39 -2.95 119.26 118.56 2bes h ALA 78 Ca 0.30 -0.38 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 2bes h ALA 78 Cb -0.12 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 2bes h ALA 78 CO -0.06 0.51 -0.19 0.00 0.00 0.00 0.00 179.25 179.51 2bes h ALA 79 N 0.80 1.56 0.00 0.00 0.00 -1.18 -2.76 119.26 117.68 2bes h ALA 79 Ca 0.08 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2bes h ALA 79 Cb 0.78 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.51 2bes h ALA 79 CO 0.06 0.32 0.00 -0.91 0.00 0.00 0.00 179.25 178.72 2bes h ASN 80 N 0.10 0.00 1.27 0.00 2.35 -0.97 -2.85 115.58 115.48 2bes h ASN 80 Ca 0.02 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.75 2bes h ASN 80 Cb 0.40 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.77 2bes h ASN 80 CO 0.03 0.00 -0.07 0.11 -1.65 0.00 0.00 177.43 175.85 2bes h LYS 81 N 0.00 0.00 -6.33 0.81 1.79 -1.37 -3.44 116.57 108.03 2bes h LYS 81 Ca 0.00 0.00 -0.55 0.00 -2.18 0.00 0.00 60.65 57.92 2bes h LYS 81 Cb 0.73 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.38 2bes h LYS 81 CO 0.00 0.07 0.89 0.08 -1.08 0.00 0.00 179.45 179.41 2bes s VAL 82 N -3.52 3.73 0.17 0.50 1.01 -1.08 -4.97 120.40 116.25 2bes s VAL 82 Ca 0.03 1.06 -0.33 0.00 0.00 0.00 0.00 61.98 62.73 2bes s VAL 82 Cb 0.08 -3.68 -0.15 0.00 0.00 0.00 0.00 36.38 32.63 2bes s VAL 82 CO 0.60 -0.03 1.37 -2.65 0.00 0.00 0.00 175.10 174.40 2bes n PRO 83 N 5.83 1.66 -0.01 2.72 -0.02 -1.26 -2.11 135.00 141.80 2bes n PRO 83 Ca 0.14 0.59 0.00 0.00 -2.02 0.00 0.00 63.50 62.21 2bes n PRO 83 Cb 0.43 -2.24 0.00 0.00 -0.02 0.00 0.00 33.50 31.68 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 2.50 2.01 3.86 -1.23 0.00 -1.26 -4.99 105.19 106.09 2bes n GLY 84 Ca 0.15 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.69 3.70 -0.21 4.61 0.00 -0.90 -4.98 121.76 121.30 2bes s ALA 85 Ca 0.00 -0.34 -0.03 0.00 0.00 0.00 0.00 51.96 51.59 2bes s ALA 85 Cb 0.00 -2.31 0.06 0.00 0.00 0.00 0.00 23.12 20.88 2bes s ALA 85 CO 0.00 0.55 0.04 1.03 0.00 0.00 0.00 175.76 177.38 2bes s ARG 86 N -1.92 0.65 -0.24 0.00 0.52 -1.26 -4.79 118.95 111.92 2bes s ARG 86 Ca 0.34 -0.49 0.02 0.00 -0.52 0.00 0.00 55.73 55.08 2bes s ARG 86 Cb -0.14 -2.08 0.05 0.00 0.52 0.00 0.00 34.95 33.29 2bes s ARG 86 CO 0.18 -0.68 -0.13 0.00 0.02 0.00 0.00 175.30 174.69 2bes s ALA 88 N 1.17 3.57 -0.35 0.00 0.00 -1.02 -4.87 121.76 120.25 2bes s ALA 88 Ca -0.04 -0.86 -0.13 0.00 0.00 0.00 0.00 51.96 50.92 2bes s ALA 88 Cb -0.18 -2.34 -0.01 0.00 0.00 0.00 0.00 23.12 20.59 2bes s ALA 88 CO -0.07 -0.46 0.26 -1.17 0.00 0.00 0.00 175.76 174.32 2bes s LEU 89 N -4.69 4.62 -0.37 0.00 2.96 -1.26 -0.44 118.68 119.50 2bes s LEU 89 Ca 0.49 -0.49 -0.17 0.00 -0.22 0.00 0.00 54.13 53.74 2bes s LEU 89 Cb -0.10 -2.16 0.00 0.00 0.50 0.00 0.00 46.19 44.43 2bes s LEU 89 CO 0.41 -0.28 0.47 0.00 -1.32 0.00 0.00 176.35 175.63 2bes s ALA 90 N 1.74 3.46 -0.19 5.97 0.00 -0.51 -4.87 121.76 127.37 2bes s ALA 90 Ca 0.06 -1.17 0.04 0.00 0.00 0.00 0.00 51.96 50.89 2bes s ALA 90 Cb -0.18 -3.00 0.10 0.00 0.00 0.00 0.00 23.12 20.04 2bes s ALA 90 CO 0.11 -1.30 1.07 -2.67 0.00 0.00 0.00 175.76 172.97 2bes n TRP 91 N 5.67 0.11 -3.79 0.00 4.27 -1.26 -4.54 117.44 117.90 2bes n TRP 91 Ca -0.06 -0.55 -0.04 0.00 -3.89 0.00 0.00 57.50 52.95 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 0.33 -0.67 1.04 -1.26 -5.02 113.70 106.77 2bes s SER 92 Ca 0.08 -0.50 0.05 0.00 0.48 0.00 0.00 55.95 56.05 2bes s SER 92 Cb 0.06 0.55 0.58 0.00 0.10 0.00 0.00 66.02 67.30 2bes s SER 92 CO 0.03 -1.02 1.84 0.58 0.98 0.00 0.00 173.24 175.65 2bes h VAL 93 N 2.00 1.21 -0.08 5.02 2.07 -1.91 -2.63 116.25 121.93 2bes h VAL 93 Ca -0.24 -0.92 -0.04 0.00 0.82 0.00 0.00 66.70 66.33 2bes h VAL 93 Cb 1.23 1.09 -0.00 0.00 -1.52 0.00 0.00 31.29 32.10 2bes h VAL 93 CO 0.27 0.30 -0.09 -0.61 0.02 0.00 0.00 177.57 177.46 2bes h GLN 94 N 0.44 0.20 0.00 1.57 4.15 -1.97 -2.54 115.11 116.96 2bes h GLN 94 Ca 0.09 -0.11 -0.06 0.00 0.77 0.00 0.00 58.65 59.34 2bes h GLN 94 Cb 0.43 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.12 2bes h GLN 94 CO 0.02 0.65 -0.30 1.79 -1.93 0.00 0.00 178.83 179.06 2bes h THR 95 N -0.24 0.67 -0.17 2.39 1.35 -1.94 -0.57 112.91 114.39 2bes h THR 95 Ca 0.01 -1.39 -0.12 0.00 -0.55 0.00 0.00 66.41 64.36 2bes h THR 95 Cb 0.62 1.91 0.00 0.00 -1.73 0.00 0.00 68.15 68.95 2bes h THR 95 CO 0.02 0.29 -0.37 0.00 -0.25 0.00 0.00 175.52 175.22 2bes h ALA 96 N 1.70 0.28 -0.35 6.62 0.00 -1.50 -2.04 119.26 123.97 2bes h ALA 96 Ca -0.00 -0.44 -0.08 0.00 0.00 0.00 0.00 54.91 54.39 2bes h ALA 96 Cb 0.89 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 2bes h ALA 96 CO 0.04 0.35 -0.10 0.00 0.00 0.00 0.00 179.25 179.53 2bes h ALA 97 N 0.57 0.48 -0.06 0.00 0.00 -1.30 -3.07 119.26 115.88 2bes h ALA 97 Ca 0.00 -0.31 -0.07 0.00 0.00 0.00 0.00 54.91 54.53 2bes h ALA 97 Cb 0.97 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 2bes h ALA 97 CO 0.08 0.35 -0.28 -0.07 0.00 0.00 0.00 179.25 179.33 2bes h LEU 98 N 0.47 0.10 -1.01 0.00 3.38 -1.16 -1.37 115.31 115.72 2bes h LEU 98 Ca 0.09 -0.03 0.03 0.00 0.09 0.00 0.00 57.88 58.06 2bes h LEU 98 Cb 0.62 -0.03 -0.06 0.00 0.09 0.00 0.00 40.66 41.29 2bes h LEU 98 CO 0.04 0.38 0.66 0.00 0.09 0.00 0.00 178.44 179.61 2bes h ALA 99 N 1.63 1.32 -0.00 1.53 0.00 -1.27 -0.41 119.26 122.06 2bes h ALA 99 Ca 0.01 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 2bes h ALA 99 Cb 0.54 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2bes h ALA 99 CO 0.04 0.59 -0.11 0.00 0.00 0.00 0.00 179.25 179.77 2bes h ARG 100 N 1.30 0.07 0.28 0.00 2.47 -1.47 -0.73 114.38 116.30 2bes h ARG 100 Ca 0.39 -0.08 -0.01 0.00 -1.26 0.00 0.00 59.98 59.02 2bes h ARG 100 Cb -0.04 0.02 0.00 0.00 -1.65 0.00 0.00 29.97 28.30 2bes h ARG 100 CO -0.11 0.85 -0.14 0.93 0.56 0.00 0.00 179.97 182.06 2bes h GLU 101 N -0.67 -0.37 0.02 0.04 5.08 -1.10 -2.90 114.58 114.68 2bes h GLU 101 Ca -0.01 0.03 -0.28 0.00 -1.00 0.00 0.00 59.36 58.09 2bes h GLU 101 Cb 0.89 0.08 -0.04 0.00 0.50 0.00 0.00 28.75 30.18 2bes h GLU 101 CO 0.02 -0.19 -1.53 0.72 -1.00 0.00 0.00 179.01 177.03 2bes n HIS 102 N -5.22 0.93 1.00 4.33 8.25 -0.18 -3.06 115.22 121.26 2bes n HIS 102 Ca -0.10 0.36 0.11 0.00 -0.26 0.00 0.00 57.72 57.83 2bes n HIS 102 Cb 0.20 -1.10 0.03 0.00 1.12 0.00 0.00 29.99 30.24 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 -4.26 0.79 -3.57 0.41 5.03 -1.09 -4.79 115.26 107.79 2bes n ASN 103 Ca -0.35 -0.69 -0.27 0.00 0.87 0.00 0.00 54.58 54.15 2bes n ASN 103 Cb 0.76 0.69 0.01 0.00 -1.02 0.00 0.00 39.78 40.23 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 -1.50 -4.53 -4.66 6.41 5.15 -0.62 -4.87 115.26 110.64 2bes n ASN 104 Ca 0.05 -0.55 -0.42 0.00 -0.60 0.00 0.00 54.58 53.05 2bes n ASN 104 Cb 0.33 -3.67 -0.03 0.00 -0.53 0.00 0.00 39.78 35.88 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 -3.13 3.60 -0.15 5.20 0.00 -0.38 -4.87 121.76 122.03 2bes s ALA 105 Ca 0.51 0.95 0.25 0.00 0.00 0.00 0.00 51.96 53.67 2bes s ALA 105 Cb -0.26 -3.76 0.71 0.00 0.00 0.00 0.00 23.12 19.81 2bes s ALA 105 CO 0.63 -1.43 1.74 1.96 0.00 0.00 0.00 175.76 178.65 2bes h GLN 106 N 9.67 0.00 -5.11 0.00 7.50 -1.83 -3.43 115.11 121.91 2bes h GLN 106 Ca -0.40 0.00 -0.34 0.00 0.50 0.00 0.00 58.65 58.41 2bes h GLN 106 Cb 1.18 0.00 -0.15 0.00 0.05 0.00 0.00 27.48 28.57 2bes h GLN 106 CO 0.95 0.10 -0.71 -0.51 -1.50 0.00 0.00 178.83 177.17 2bes s LEU 107 N -6.33 2.48 0.02 1.46 1.02 -1.10 -0.49 118.68 115.75 2bes s LEU 107 Ca 0.04 -1.05 -0.01 0.00 0.02 0.00 0.00 54.13 53.13 2bes s LEU 107 Cb 0.07 -0.36 -0.02 0.00 0.02 0.00 0.00 46.19 45.90 2bes s LEU 107 CO 0.64 -0.35 -0.01 0.27 0.02 0.00 0.00 176.35 176.92 2bes s ILE 108 N -3.32 0.13 -0.08 -0.59 -4.36 -0.93 -2.45 121.20 109.60 2bes s ILE 108 Ca 0.19 -1.04 -0.01 0.00 -0.26 0.00 0.00 60.65 59.53 2bes s ILE 108 Cb 0.03 -0.50 -0.03 0.00 1.25 0.00 0.00 42.46 43.21 2bes s ILE 108 CO 0.02 -0.57 -0.02 -0.83 0.24 0.00 0.00 174.94 173.78 2bes s GLY 109 N -1.71 1.80 -0.03 6.27 0.00 0.42 -1.37 107.32 112.70 2bes s GLY 109 Ca -0.12 -0.83 0.03 0.00 0.00 0.00 0.00 44.72 43.80 2bes s GLY 109 CO -0.02 -0.58 -0.11 -0.42 0.00 0.00 0.00 173.10 171.97 2bes s ILE 110 N -0.81 0.94 -0.24 0.90 1.01 -0.78 -1.42 121.20 120.80 2bes s ILE 110 Ca 0.12 -0.44 -0.20 0.00 0.00 0.00 0.00 60.65 60.13 2bes s ILE 110 Cb -0.11 -0.83 -0.02 0.00 0.01 0.00 0.00 42.46 41.51 2bes s ILE 110 CO 0.02 0.29 0.63 -0.83 0.00 0.00 0.00 174.94 175.05 2bes s GLY 111 N 0.20 1.85 0.52 6.18 0.00 -1.15 -2.57 107.32 112.35 2bes s GLY 111 Ca -0.04 -0.40 0.31 0.00 0.00 0.00 0.00 44.72 44.59 2bes s GLY 111 CO 0.01 1.43 1.88 -1.33 0.00 0.00 0.00 173.10 175.09 2bes h GLY 112 N 8.80 0.00 1.42 0.20 0.00 -1.12 -2.92 103.07 109.45 2bes h GLY 112 Ca -0.28 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.05 2bes h GLY 112 CO 0.77 0.00 -0.40 0.54 0.00 0.00 0.00 176.54 177.46 2bes n ARG 113 N -3.08 0.21 0.04 4.80 1.74 -1.03 -4.03 116.66 115.31 2bes n ARG 113 Ca 0.02 0.10 0.01 0.00 -0.77 0.00 0.00 57.85 57.20 2bes n ARG 113 Cb 0.37 -1.67 -0.07 0.00 -1.02 0.00 0.00 32.46 30.07 2bes n ARG 113 CO 0.00 0.00 0.00 0.52 -1.52 0.00 0.00 177.63 176.63 2bes h MET 114 N 0.00 0.00 -5.37 5.56 2.86 -1.65 -3.48 114.93 112.85 2bes h MET 114 Ca 0.00 0.00 -0.51 0.00 -2.06 0.00 0.00 59.70 57.13 2bes h MET 114 Cb 0.68 0.00 -0.14 0.00 0.06 0.00 0.00 31.60 32.21 2bes h MET 114 CO 0.00 0.27 -0.61 -1.01 1.06 0.00 0.00 176.91 176.61 2bes s HIS 115 N -2.97 2.11 0.77 -0.22 3.76 -1.24 -5.11 115.29 112.40 2bes s HIS 115 Ca -0.02 -0.86 -0.07 0.00 -0.15 0.00 0.00 55.06 53.96 2bes s HIS 115 Cb 0.09 -1.40 0.12 0.00 1.11 0.00 0.00 32.58 32.50 2bes s HIS 115 CO 0.81 0.15 1.07 0.95 -0.85 0.00 0.00 174.74 176.87 2bes s THR 116 N -3.12 2.18 0.19 1.30 -4.23 -1.26 -4.92 115.64 105.78 2bes s THR 116 Ca 0.35 -0.33 -0.07 0.00 -1.18 0.00 0.00 61.69 60.47 2bes s THR 116 Cb 0.09 -2.85 0.03 0.00 1.34 0.00 0.00 72.50 71.10 2bes s THR 116 CO 0.16 0.00 1.60 0.58 -0.54 0.00 0.00 174.62 176.42 2bes h VAL 117 N -0.81 1.27 -0.39 2.29 2.07 -2.00 -2.47 116.25 116.21 2bes h VAL 117 Ca -0.42 -1.33 -0.10 0.00 0.82 0.00 0.00 66.70 65.67 2bes h VAL 117 Cb 1.28 1.12 -0.01 0.00 -1.52 0.00 0.00 31.29 32.16 2bes h VAL 117 CO 0.48 0.46 -0.15 0.00 0.02 0.00 0.00 177.57 178.37 2bes h ALA 118 N 0.98 0.55 -0.15 1.67 0.00 -2.00 -2.55 119.26 117.77 2bes h ALA 118 Ca 0.11 -0.35 -0.06 0.00 0.00 0.00 0.00 54.91 54.61 2bes h ALA 118 Cb 0.74 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 2bes h ALA 118 CO 0.06 0.47 -0.19 0.93 0.00 0.00 0.00 179.25 180.52 2bes h GLU 119 N 0.61 0.26 -0.15 0.00 5.08 -1.94 -2.57 114.58 115.87 2bes h GLU 119 Ca 0.09 -0.07 -0.22 0.00 -1.00 0.00 0.00 59.36 58.16 2bes h GLU 119 Cb 0.70 -0.03 0.01 0.00 0.50 0.00 0.00 28.75 29.93 2bes h GLU 119 CO 0.05 0.45 -0.77 0.00 -1.00 0.00 0.00 179.01 177.74 2bes h ALA 120 N 1.57 0.35 0.00 3.43 0.00 -1.32 -2.88 119.26 120.40 2bes h ALA 120 Ca 0.04 -0.60 -0.09 0.00 0.00 0.00 0.00 54.91 54.26 2bes h ALA 120 Cb 0.48 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 2bes h ALA 120 CO 0.03 0.69 -0.45 -0.07 0.00 0.00 0.00 179.25 179.45 2bes h LEU 121 N 0.52 0.00 -0.83 0.00 3.38 -1.36 -2.09 115.31 114.94 2bes h LEU 121 Ca -0.05 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.80 2bes h LEU 121 Cb 1.39 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.13 2bes h LEU 121 CO 0.16 0.45 -0.42 0.00 0.09 0.00 0.00 178.44 178.71 2bes h ALA 122 N 1.55 1.00 -0.51 1.53 0.00 -1.45 -1.34 119.26 120.04 2bes h ALA 122 Ca -0.00 -0.43 -0.10 0.00 0.00 0.00 0.00 54.91 54.37 2bes h ALA 122 Cb 0.96 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 2bes h ALA 122 CO 0.06 0.62 -0.08 0.82 0.00 0.00 0.00 179.25 180.67 2bes h ILE 123 N 0.29 1.27 -0.63 0.00 2.04 -1.25 -2.68 117.51 116.54 2bes h ILE 123 Ca 0.02 -1.21 -0.05 0.00 1.00 0.00 0.00 64.86 64.62 2bes h ILE 123 Cb 0.87 1.02 -0.03 0.00 -0.74 0.00 0.00 36.82 37.94 2bes h ILE 123 CO 0.07 0.42 0.20 0.58 0.00 0.00 0.00 178.15 179.42 2bes h VAL 124 N 0.81 1.25 -0.41 1.67 2.07 -1.20 -2.23 116.25 118.21 2bes h VAL 124 Ca 0.13 -0.85 -0.01 0.00 0.82 0.00 0.00 66.70 66.80 2bes h VAL 124 Cb 0.63 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 30.99 2bes h VAL 124 CO 0.04 0.32 0.22 0.44 0.02 0.00 0.00 177.57 178.62 2bes h ASP 125 N 0.90 0.51 0.03 0.57 3.32 -1.19 -2.20 116.42 118.36 2bes h ASP 125 Ca 0.20 -0.09 -0.07 0.00 0.02 0.00 0.00 57.03 57.09 2bes h ASP 125 Cb 0.29 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 2bes h ASP 125 CO -0.01 0.45 -0.19 0.00 -1.72 0.00 0.00 179.24 177.78 2bes h ALA 126 N 1.08 1.35 -0.33 3.45 0.00 -1.40 -2.45 119.26 120.96 2bes h ALA 126 Ca 0.14 -0.27 -0.13 0.00 0.00 0.00 0.00 54.91 54.66 2bes h ALA 126 Cb 0.06 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2bes h ALA 126 CO -0.02 0.44 -0.30 0.35 0.00 0.00 0.00 179.25 179.72 2bes h PHE 127 N 0.28 0.94 0.00 0.00 3.57 -0.97 -2.58 116.94 118.17 2bes h PHE 127 Ca 0.05 -0.28 0.00 0.00 3.53 0.00 0.00 57.97 61.28 2bes h PHE 127 Cb 0.50 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 39.04 2bes h PHE 127 CO 0.01 1.05 -0.64 1.33 -2.23 0.00 0.00 178.31 177.83 2bes n VAL 128 N -4.20 0.30 -0.03 1.41 0.24 -0.86 -4.15 118.33 111.03 2bes n VAL 128 Ca -0.03 -0.24 0.03 0.00 -2.04 0.00 0.00 64.34 62.06 2bes n VAL 128 Cb 0.49 -0.07 -0.12 0.00 -1.47 0.00 0.00 33.84 32.67 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 -2.03 0.35 -2.41 3.34 -2.24 -0.93 -4.93 114.28 105.44 2bes n THR 129 Ca 0.03 -0.45 -0.43 0.00 -2.27 0.00 0.00 64.05 60.94 2bes n THR 129 Cb 0.43 -0.12 -0.02 0.00 -2.10 0.00 0.00 70.33 68.51 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 -2.84 4.20 0.67 4.28 2.01 -0.97 -5.01 115.64 117.97 2bes s THR 130 Ca -0.06 1.49 -0.12 0.00 0.31 0.00 0.00 61.69 63.31 2bes s THR 130 Cb 0.08 -3.96 -0.00 0.00 0.01 0.00 0.00 72.50 68.63 2bes s THR 130 CO 0.64 -0.07 1.06 -2.84 -0.69 0.00 0.00 174.62 172.72 2bes s PRO 131 N 2.92 3.01 -0.15 4.92 0.02 -1.26 -4.80 135.00 139.67 2bes s PRO 131 Ca 0.57 1.02 -0.29 0.00 0.02 0.00 0.00 61.00 62.31 2bes s PRO 131 Cb -0.24 -2.00 -0.01 0.00 0.02 0.00 0.00 34.50 32.28 2bes s PRO 131 CO 0.19 -1.04 1.00 -0.46 -0.33 0.00 0.00 177.00 176.35 2bes s TRP 132 N -2.90 3.45 0.38 6.54 -0.00 -1.26 -3.74 118.94 121.40 2bes s TRP 132 Ca 0.59 1.52 0.08 0.00 -0.00 0.00 0.00 56.10 58.29 2bes s TRP 132 Cb -0.14 -3.19 0.76 0.00 -0.00 0.00 0.00 33.47 30.89 2bes s TRP 132 CO 0.51 -0.30 1.94 0.66 -0.00 0.00 0.00 176.95 179.75 2bes h SER 133 N 7.23 0.34 -0.55 5.86 4.64 -1.71 -3.47 113.55 125.89 2bes h SER 133 Ca -0.27 -0.05 -0.24 0.00 -0.47 0.00 0.00 61.79 60.76 2bes h SER 133 Cb 1.12 -0.09 -0.09 0.00 -0.31 0.00 0.00 62.40 63.03 2bes h SER 133 CO 0.89 0.42 -0.22 0.29 -0.87 0.00 0.00 176.83 177.34 2bes n LYS 134 N -4.32 -0.82 -2.09 4.77 5.02 -1.26 -4.98 118.16 114.47 2bes n LYS 134 Ca 0.00 0.90 -0.38 0.00 -2.02 0.00 0.00 58.31 56.82 2bes n LYS 134 Cb 0.22 -4.90 0.00 0.00 -0.02 0.00 0.00 35.03 30.33 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 -2.42 3.00 0.14 7.82 0.00 -1.26 -4.87 121.76 124.17 2bes s ALA 135 Ca 0.00 1.10 -0.21 0.00 0.00 0.00 0.00 51.96 52.86 2bes s ALA 135 Cb 0.00 -3.45 0.01 0.00 0.00 0.00 0.00 23.12 19.68 2bes s ALA 135 CO 0.00 -0.88 1.67 0.37 0.00 0.00 0.00 175.76 176.92 2bes h GLN 136 N 2.05 -0.12 -0.19 0.00 4.15 -1.99 -1.73 115.11 117.27 2bes h GLN 136 Ca -0.50 0.01 -0.09 0.00 0.77 0.00 0.00 58.65 58.84 2bes h GLN 136 Cb 1.26 0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.96 2bes h GLN 136 CO 0.60 -0.08 -0.28 0.07 -1.93 0.00 0.00 178.83 177.21 2bes h ARG 137 N -0.13 0.38 -0.34 1.69 0.11 -1.99 -1.34 114.38 112.75 2bes h ARG 137 Ca 0.12 -0.14 -0.10 0.00 0.10 0.00 0.00 59.98 59.96 2bes h ARG 137 Cb 0.31 -0.02 -0.01 0.00 1.11 0.00 0.00 29.97 31.36 2bes h ARG 137 CO -0.29 0.63 -0.17 0.45 0.10 0.00 0.00 179.97 180.68 2bes h HIS 138 N 0.33 0.84 -0.28 4.08 3.86 -1.78 -2.51 115.15 119.68 2bes h HIS 138 Ca 0.05 -0.21 -0.10 0.00 -1.16 0.00 0.00 60.37 58.95 2bes h HIS 138 Cb 0.67 -0.19 -0.01 0.00 1.06 0.00 0.00 27.41 28.94 2bes h HIS 138 CO 0.02 0.93 -0.23 0.37 0.86 0.00 0.00 177.93 179.87 2bes h GLN 139 N 0.50 0.53 -0.72 2.45 5.75 -1.17 -2.35 115.11 120.10 2bes h GLN 139 Ca 0.08 -0.20 -0.01 0.00 -0.15 0.00 0.00 58.65 58.37 2bes h GLN 139 Cb 0.71 -0.03 -0.03 0.00 1.07 0.00 0.00 27.48 29.19 2bes h GLN 139 CO 0.05 0.73 0.41 -0.09 -2.65 0.00 0.00 178.83 177.28 2bes h ARG 140 N 0.47 1.00 -0.14 1.69 2.43 -1.12 -1.18 114.38 117.54 2bes h ARG 140 Ca 0.07 -0.11 -0.21 0.00 -0.81 0.00 0.00 59.98 58.93 2bes h ARG 140 Cb 0.66 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 30.01 2bes h ARG 140 CO 0.05 0.73 -0.74 0.00 -1.51 0.00 0.00 179.97 178.50 2bes h ARG 141 N 0.99 0.67 -0.38 0.20 3.08 -1.31 -2.38 114.38 115.26 2bes h ARG 141 Ca 0.26 -0.54 -0.06 0.00 0.07 0.00 0.00 59.98 59.71 2bes h ARG 141 Cb 0.01 0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.15 2bes h ARG 141 CO -0.04 1.15 -0.01 0.82 -1.07 0.00 0.00 179.97 180.82 2bes h ILE 142 N 0.47 1.21 -0.14 2.04 2.04 -1.28 -2.49 117.51 119.36 2bes h ILE 142 Ca -0.04 -0.87 -0.17 0.00 1.00 0.00 0.00 64.86 64.78 2bes h ILE 142 Cb 1.35 0.93 -0.00 0.00 -0.74 0.00 0.00 36.82 38.35 2bes h ILE 142 CO 0.15 0.30 -0.63 0.44 0.00 0.00 0.00 178.15 178.40 2bes h ASP 143 N 0.57 0.57 -0.68 1.72 3.32 -1.12 -1.79 116.42 119.03 2bes h ASP 143 Ca 0.12 -0.34 -0.07 0.00 0.02 0.00 0.00 57.03 56.76 2bes h ASP 143 Cb 0.38 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.73 2bes h ASP 143 CO 0.01 1.06 0.14 0.40 -1.72 0.00 0.00 179.24 179.14 2bes h ILE 144 N 0.37 1.26 -0.40 0.35 2.04 -1.23 -1.64 117.51 118.26 2bes h ILE 144 Ca -0.01 -0.99 -0.14 0.00 1.00 0.00 0.00 64.86 64.71 2bes h ILE 144 Cb 1.19 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 37.86 2bes h ILE 144 CO 0.11 0.38 -0.32 0.25 0.00 0.00 0.00 178.15 178.57 2bes h LEU 145 N 1.03 0.93 -1.25 1.44 5.85 -1.37 -2.14 115.31 119.81 2bes h LEU 145 Ca 0.21 -0.39 -0.08 0.00 0.84 0.00 0.00 57.88 58.46 2bes h LEU 145 Cb 0.40 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.16 2bes h LEU 145 CO 0.01 1.17 -0.35 0.00 -0.34 0.00 0.00 178.44 178.93 2bes h ALA 146 N 0.89 1.37 -0.06 1.25 0.00 -1.16 -1.86 119.26 119.69 2bes h ALA 146 Ca 0.08 -0.33 -0.18 0.00 0.00 0.00 0.00 54.91 54.48 2bes h ALA 146 Cb 0.89 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 2bes h ALA 146 CO 0.08 0.46 -0.72 1.49 0.00 0.00 0.00 179.25 180.56 2bes h GLU 147 N 0.05 0.33 -0.13 0.00 4.57 -1.13 -2.79 114.58 115.47 2bes h GLU 147 Ca 0.00 -0.27 -0.11 0.00 -1.18 0.00 0.00 59.36 57.80 2bes h GLU 147 Cb 0.64 0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.27 2bes h GLU 147 CO 0.05 0.92 -0.42 -0.92 -1.18 0.00 0.00 179.01 177.45 2bes h TYR 148 N 0.22 0.36 -0.29 0.92 5.03 -0.97 -2.85 116.97 119.40 2bes h TYR 148 Ca -0.03 -0.10 -0.10 0.00 2.58 0.00 0.00 58.73 61.08 2bes h TYR 148 Cb 1.29 -0.08 -0.01 0.00 1.55 0.00 0.00 36.73 39.48 2bes h TYR 148 CO 0.04 0.68 -0.25 0.93 -1.32 0.00 0.00 178.16 178.24 2bes h GLU 149 N 0.26 0.57 -0.28 1.82 5.08 -1.24 0.25 114.58 121.04 2bes h GLU 149 Ca 0.02 -0.23 -0.15 0.00 -1.00 0.00 0.00 59.36 58.01 2bes h GLU 149 Cb 0.85 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.07 2bes h GLU 149 CO 0.07 0.78 -0.40 -0.09 -1.00 0.00 0.00 179.01 178.36 2bes h ARG 150 N 0.50 0.76 0.00 2.33 2.43 -1.39 -3.37 114.38 115.64 2bes h ARG 150 Ca 0.07 -0.45 -0.01 0.00 -0.81 0.00 0.00 59.98 58.78 2bes h ARG 150 Cb 0.70 0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 30.29 2bes h ARG 150 CO 0.05 1.07 -1.57 0.25 -1.51 0.00 0.00 179.97 178.27 2bes n THR 151 N -4.16 0.05 -3.00 0.20 -2.24 -1.08 -5.01 114.28 99.03 2bes n THR 151 Ca -0.04 -0.29 -0.20 0.00 -2.27 0.00 0.00 64.05 61.24 2bes n THR 151 Cb 0.54 0.16 0.01 0.00 -2.10 0.00 0.00 70.33 68.94 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 -1.95 -1.72 -3.82 4.78 8.25 0.87 -4.97 115.22 116.66 2bes n HIS 152 Ca -0.03 0.36 -0.36 0.00 -0.26 0.00 0.00 57.72 57.42 2bes n HIS 152 Cb 0.35 -3.45 -0.13 0.00 1.12 0.00 0.00 29.99 27.88 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 -5.65 2.50 0.15 -0.41 2.02 -1.26 -5.07 118.70 110.98 2bes s GLU 153 Ca 0.26 -1.26 -0.33 0.00 0.02 0.00 0.00 54.97 53.66 2bes s GLU 153 Cb -0.13 -3.35 -0.13 0.00 0.10 0.00 0.00 34.13 30.63 2bes s GLU 153 CO 0.32 -0.67 1.67 0.00 0.02 0.00 0.00 175.26 176.60 2bes n ALA 154 N 4.72 1.81 -1.41 5.21 0.00 -1.26 -4.79 120.51 124.78 2bes n ALA 154 Ca -0.12 0.40 -0.32 0.00 0.00 0.00 0.00 53.44 53.41 2bes n ALA 154 Cb 0.44 -2.44 0.07 0.00 0.00 0.00 0.00 19.45 17.52 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 1.47 2.60 0.37 0.00 0.04 -1.26 -4.97 135.00 133.25 2bes s PRO 155 Ca 0.79 1.21 -0.27 0.00 0.04 0.00 0.00 61.00 62.77 2bes s PRO 155 Cb -0.61 -1.94 -0.10 0.00 0.04 0.00 0.00 34.50 31.90 2bes s PRO 155 CO 0.37 -1.38 1.32 -1.25 0.04 0.00 0.00 177.00 176.11 2bes s PRO 156 N -4.61 4.13 -0.34 0.56 0.04 -1.26 -4.97 135.00 128.56 2bes s PRO 156 Ca 0.63 2.22 -0.22 0.00 0.04 0.00 0.00 61.00 63.67 2bes s PRO 156 Cb -0.18 -2.90 0.00 0.00 0.04 0.00 0.00 34.50 31.46 2bes s PRO 156 CO 0.50 -0.38 0.70 0.08 0.04 0.00 0.00 177.00 177.94 2bes s VAL 157 N -1.20 4.84 0.03 -0.36 1.01 -1.26 -5.01 120.40 118.44 2bes s VAL 157 Ca 0.53 0.82 -0.35 0.00 0.00 0.00 0.00 61.98 62.99 2bes s VAL 157 Cb -0.40 -4.11 -0.13 0.00 0.00 0.00 0.00 36.38 31.74 2bes s VAL 157 CO 0.52 -0.31 1.70 -2.65 0.00 0.00 0.00 175.10 174.36 2bes n PRO 158 N 6.15 2.03 -2.33 2.72 -0.02 -1.26 -2.30 135.00 139.99 2bes n PRO 158 Ca 0.01 0.74 -0.09 0.00 -2.02 0.00 0.00 63.50 62.14 2bes n PRO 158 Cb 0.48 -2.53 0.00 0.00 -0.02 0.00 0.00 33.50 31.44 2bes n PRO 158 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2bes n GLY 159 N 3.80 0.07 0.00 -1.23 0.00 -1.26 -5.34 105.19 101.23 2bes n GLY 159 Ca 0.20 -0.47 0.15 0.00 0.00 0.00 0.00 46.02 45.91 2bes n GLY 159 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32