#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bkr s MET 1 N 0.00 3.14 -0.29 -1.46 -2.45 0.11 -4.94 119.30 113.42 2bkr s MET 1 Ca 0.00 -0.81 -0.16 0.00 -1.25 0.00 0.00 55.69 53.47 2bkr s MET 1 Cb 0.00 -2.47 -0.03 0.00 1.25 0.00 0.00 34.83 33.58 2bkr s MET 1 CO 0.00 0.10 0.43 -1.17 1.05 0.00 0.00 175.02 175.43 2bkr s LEU 2 N 0.57 4.12 0.42 4.11 2.96 -1.26 0.03 118.68 129.62 2bkr s LEU 2 Ca -0.11 0.26 0.07 0.00 -0.22 0.00 0.00 54.13 54.13 2bkr s LEU 2 Cb -0.16 -2.51 -0.07 0.00 0.50 0.00 0.00 46.19 43.94 2bkr s LEU 2 CO 0.04 -0.27 0.05 0.27 -1.32 0.00 0.00 176.35 175.11 2bkr s ILE 3 N 2.19 2.04 -0.02 6.68 -4.36 0.37 -0.43 121.20 127.66 2bkr s ILE 3 Ca 0.17 -1.93 0.07 0.00 -0.26 0.00 0.00 60.65 58.70 2bkr s ILE 3 Cb -0.16 -2.96 -0.02 0.00 1.25 0.00 0.00 42.46 40.57 2bkr s ILE 3 CO 0.10 0.00 -0.22 -0.54 0.24 0.00 0.00 174.94 174.53 2bkr s LYS 4 N -3.76 2.22 -0.23 0.37 1.02 -0.36 -1.25 119.74 117.74 2bkr s LYS 4 Ca 0.35 -0.87 0.02 0.00 0.02 0.00 0.00 55.97 55.50 2bkr s LYS 4 Cb 0.08 -2.15 0.05 0.00 -0.52 0.00 0.00 37.83 35.29 2bkr s LYS 4 CO 0.18 0.58 -0.13 0.08 -0.92 0.00 0.00 175.35 175.15 2bkr s VAL 5 N -0.68 2.02 -0.21 3.17 1.01 0.75 -0.72 120.40 125.75 2bkr s VAL 5 Ca 0.11 -1.35 -0.12 0.00 0.00 0.00 0.00 61.98 60.62 2bkr s VAL 5 Cb -0.10 -2.06 -0.05 0.00 0.00 0.00 0.00 36.38 34.17 2bkr s VAL 5 CO -0.00 0.13 0.22 -0.75 0.00 0.00 0.00 175.10 174.70 2bkr s LYS 6 N 1.21 4.16 0.81 2.72 2.20 -0.10 0.05 119.74 130.79 2bkr s LYS 6 Ca -0.04 -0.10 -0.09 0.00 -0.36 0.00 0.00 55.97 55.37 2bkr s LYS 6 Cb -0.18 -3.48 0.13 0.00 -1.51 0.00 0.00 37.83 32.79 2bkr s LYS 6 CO -0.07 0.15 1.13 0.95 -0.36 0.00 0.00 175.35 177.15 2bkr s THR 7 N 0.76 2.12 -1.63 3.43 -4.23 0.16 -0.14 115.64 116.11 2bkr s THR 7 Ca 0.11 -0.22 0.26 0.00 -1.18 0.00 0.00 61.69 60.66 2bkr s THR 7 Cb -0.13 -2.90 0.57 0.00 1.34 0.00 0.00 72.50 71.38 2bkr s THR 7 CO 0.03 0.00 1.91 0.18 -0.54 0.00 0.00 174.62 176.20 2bkr n LEU 8 N -3.23 0.00 -0.90 4.79 4.77 -1.22 -1.79 117.00 119.42 2bkr n LEU 8 Ca 0.12 0.18 0.09 0.00 -0.03 0.00 0.00 56.01 56.37 2bkr n LEU 8 Cb 0.60 -0.18 0.18 0.00 -2.33 0.00 0.00 43.42 41.69 2bkr n LEU 8 CO 0.48 -0.03 0.64 0.35 -1.33 0.00 0.00 177.39 177.51 2bkr n THR 9 N -1.18 0.66 -0.02 -5.08 -2.24 -1.26 -4.99 114.28 100.17 2bkr n THR 9 Ca 0.15 -0.83 0.00 0.00 -2.27 0.00 0.00 64.05 61.10 2bkr n THR 9 Cb 0.17 0.79 0.00 0.00 -2.10 0.00 0.00 70.33 69.19 2bkr n THR 9 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2bkr n GLY 10 N 1.06 0.82 3.74 3.38 0.00 -0.74 -5.05 105.19 108.40 2bkr n GLY 10 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 2bkr n GLY 10 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2bkr s LYS 11 N -0.72 4.20 -0.21 1.61 2.20 -1.26 -4.70 119.74 120.86 2bkr s LYS 11 Ca 0.00 2.43 -0.04 0.00 -0.36 0.00 0.00 55.97 58.00 2bkr s LYS 11 Cb 0.00 -3.09 -0.01 0.00 -1.51 0.00 0.00 37.83 33.22 2bkr s LYS 11 CO 0.00 -0.55 -0.04 -1.21 -0.36 0.00 0.00 175.35 173.19 2bkr s GLU 12 N 0.04 3.44 -0.22 4.03 2.02 -1.26 -0.67 118.70 126.08 2bkr s GLU 12 Ca 0.64 -0.60 -0.09 0.00 0.02 0.00 0.00 54.97 54.94 2bkr s GLU 12 Cb -0.45 -2.99 -0.04 0.00 0.10 0.00 0.00 34.13 30.75 2bkr s GLU 12 CO 0.41 -0.10 0.12 0.42 0.02 0.00 0.00 175.26 176.13 2bkr s ILE 13 N 1.24 5.04 0.00 -1.63 1.01 0.11 -4.90 121.20 122.06 2bkr s ILE 13 Ca 0.03 0.06 -0.18 0.00 0.00 0.00 0.00 60.65 60.57 2bkr s ILE 13 Cb -0.14 -3.33 -0.06 0.00 0.01 0.00 0.00 42.46 38.94 2bkr s ILE 13 CO -0.01 0.38 0.51 -1.61 0.00 0.00 0.00 174.94 174.21 2bkr s GLU 14 N 0.93 4.16 -0.02 2.79 2.02 -1.26 -0.18 118.70 127.14 2bkr s GLU 14 Ca 0.06 0.59 0.01 0.00 0.02 0.00 0.00 54.97 55.64 2bkr s GLU 14 Cb -0.13 -3.29 0.02 0.00 0.10 0.00 0.00 34.13 30.83 2bkr s GLU 14 CO 0.03 0.52 -0.01 0.42 0.02 0.00 0.00 175.26 176.24 2bkr s ILE 15 N -0.62 0.21 -0.30 -1.63 -1.09 -0.38 -4.98 121.20 112.41 2bkr s ILE 15 Ca 0.27 0.01 -0.15 0.00 -2.23 0.00 0.00 60.65 58.55 2bkr s ILE 15 Cb -0.18 -0.27 -0.03 0.00 -1.58 0.00 0.00 42.46 40.41 2bkr s ILE 15 CO 0.15 0.13 0.38 -0.62 -1.23 0.00 0.00 174.94 173.75 2bkr s ASP 16 N 0.70 6.23 0.21 3.58 -1.08 -1.26 -0.48 116.67 124.57 2bkr s ASP 16 Ca -0.07 0.12 0.06 0.00 -0.52 0.00 0.00 52.55 52.13 2bkr s ASP 16 Cb -0.10 -2.21 -0.05 0.00 -1.46 0.00 0.00 42.92 39.10 2bkr s ASP 16 CO -0.01 -0.25 -0.09 0.27 0.52 0.00 0.00 175.17 175.60 2bkr s ILE 17 N 2.08 1.48 -0.00 4.11 -4.36 0.10 -4.75 121.20 119.86 2bkr s ILE 17 Ca 0.14 -2.13 -0.03 0.00 -0.26 0.00 0.00 60.65 58.37 2bkr s ILE 17 Cb -0.16 -2.13 -0.04 0.00 1.25 0.00 0.00 42.46 41.38 2bkr s ILE 17 CO 0.11 -0.53 0.19 -1.61 0.24 0.00 0.00 174.94 173.34 2bkr s GLU 18 N -3.72 3.45 0.43 0.37 0.41 -1.26 0.07 118.70 118.44 2bkr s GLU 18 Ca 0.24 -0.32 0.16 0.00 -0.41 0.00 0.00 54.97 54.64 2bkr s GLU 18 Cb 0.02 -3.09 1.06 0.00 -1.78 0.00 0.00 34.13 30.34 2bkr s GLU 18 CO 0.07 0.67 1.92 -1.35 -0.49 0.00 0.00 175.26 176.07 2bkr h PRO 19 N 3.75 0.40 0.00 0.39 0.11 -1.97 -1.04 132.00 133.64 2bkr h PRO 19 Ca -0.49 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.60 2bkr h PRO 19 Cb 1.18 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.21 2bkr h PRO 19 CO 0.70 0.26 0.00 0.25 -0.21 0.00 0.00 178.00 179.00 2bkr n THR 20 N -4.48 0.09 -2.02 -1.15 -2.24 -1.26 -1.21 114.28 102.02 2bkr n THR 20 Ca 0.14 0.02 -0.41 0.00 -2.27 0.00 0.00 64.05 61.53 2bkr n THR 20 Cb 0.53 -0.56 -0.02 0.00 -2.10 0.00 0.00 70.33 68.18 2bkr n THR 20 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2bkr s ASP 21 N -2.74 6.66 0.68 3.42 1.01 -0.40 -4.81 116.67 120.50 2bkr s ASP 21 Ca 0.21 2.64 -0.15 0.00 0.71 0.00 0.00 52.55 55.96 2bkr s ASP 21 Cb 0.19 -2.62 0.01 0.00 1.01 0.00 0.00 42.92 41.51 2bkr s ASP 21 CO 0.46 -0.71 1.15 -0.54 0.21 0.00 0.00 175.17 175.74 2bkr s LYS 22 N -0.10 2.54 0.31 8.23 1.02 -1.26 -0.95 119.74 129.53 2bkr s LYS 22 Ca 0.61 1.55 0.02 0.00 0.02 0.00 0.00 55.97 58.16 2bkr s LYS 22 Cb -0.42 -1.90 0.56 0.00 -0.52 0.00 0.00 37.83 35.55 2bkr s LYS 22 CO 0.41 -1.48 1.91 0.28 -0.92 0.00 0.00 175.35 175.55 2bkr h VAL 23 N -0.07 1.05 -0.79 3.17 2.07 -0.82 -0.30 116.25 120.56 2bkr h VAL 23 Ca -0.47 -0.34 0.16 0.00 0.82 0.00 0.00 66.70 66.87 2bkr h VAL 23 Cb 1.27 -0.02 -0.05 0.00 -1.52 0.00 0.00 31.29 30.96 2bkr h VAL 23 CO 0.52 0.18 0.53 -0.08 0.02 0.00 0.00 177.57 178.74 2bkr h GLU 24 N 0.99 0.39 -0.36 1.57 4.81 -1.42 -1.35 114.58 119.20 2bkr h GLU 24 Ca 0.38 -0.02 -0.13 0.00 -0.13 0.00 0.00 59.36 59.46 2bkr h GLU 24 Cb 0.23 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.51 2bkr h GLU 24 CO -0.15 0.26 -0.31 -0.09 -0.73 0.00 0.00 179.01 177.99 2bkr h ARG 25 N 0.41 0.80 -0.58 1.92 9.65 -1.33 -1.91 114.38 123.34 2bkr h ARG 25 Ca 0.40 -0.37 0.03 0.00 -1.10 0.00 0.00 59.98 58.93 2bkr h ARG 25 Cb 0.94 -0.01 -0.04 0.00 -1.39 0.00 0.00 29.97 29.47 2bkr h ARG 25 CO -0.13 1.00 0.35 0.82 2.80 0.00 0.00 179.97 184.81 2bkr h ILE 26 N 0.68 1.07 -0.99 1.20 2.04 -1.11 -1.44 117.51 118.96 2bkr h ILE 26 Ca 0.07 -0.24 0.09 0.00 1.00 0.00 0.00 64.86 65.79 2bkr h ILE 26 Cb 0.86 0.31 -0.07 0.00 -0.74 0.00 0.00 36.82 37.17 2bkr h ILE 26 CO 0.08 0.13 0.63 0.11 0.00 0.00 0.00 178.15 179.09 2bkr h LYS 27 N 0.69 1.04 -0.32 2.37 1.57 -1.09 -1.22 116.57 119.62 2bkr h LYS 27 Ca 0.23 -0.06 -0.06 0.00 -1.87 0.00 0.00 60.65 58.89 2bkr h LYS 27 Cb 0.02 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.08 2bkr h LYS 27 CO -0.10 0.69 -0.07 0.93 -0.57 0.00 0.00 179.45 180.33 2bkr h GLU 28 N 1.07 0.52 -0.06 3.15 5.08 -0.54 -1.32 114.58 122.48 2bkr h GLU 28 Ca 0.46 -0.13 -0.19 0.00 -1.00 0.00 0.00 59.36 58.50 2bkr h GLU 28 Cb 0.31 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.49 2bkr h GLU 28 CO -0.22 0.60 -0.75 0.00 -1.00 0.00 0.00 179.01 177.64 2bkr h ARG 29 N 0.49 0.38 -0.30 2.33 3.08 -0.33 -2.68 114.38 117.35 2bkr h ARG 29 Ca 0.10 -0.33 -0.07 0.00 0.07 0.00 0.00 59.98 59.76 2bkr h ARG 29 Cb 0.42 0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.53 2bkr h ARG 29 CO 0.02 0.97 -0.10 0.28 -1.07 0.00 0.00 179.97 180.08 2bkr h VAL 30 N 0.26 1.22 -0.05 2.04 2.07 -0.97 -2.67 116.25 118.15 2bkr h VAL 30 Ca -0.03 -0.96 -0.00 0.00 0.82 0.00 0.00 66.70 66.52 2bkr h VAL 30 Cb 1.33 1.10 -0.00 0.00 -1.52 0.00 0.00 31.29 32.20 2bkr h VAL 30 CO 0.13 0.32 0.03 -0.08 0.02 0.00 0.00 177.57 177.98 2bkr h GLU 31 N 0.47 0.08 -0.79 1.57 4.81 -1.09 0.71 114.58 120.33 2bkr h GLU 31 Ca 0.09 -0.01 0.11 0.00 -0.13 0.00 0.00 59.36 59.42 2bkr h GLU 31 Cb 0.45 -0.01 -0.06 0.00 0.63 0.00 0.00 28.75 29.76 2bkr h GLU 31 CO 0.02 0.15 0.52 0.93 -0.73 0.00 0.00 179.01 179.90 2bkr h GLU 32 N -0.01 0.66 0.12 1.92 5.08 -1.29 0.55 114.58 121.61 2bkr h GLU 32 Ca 0.02 -0.04 -0.25 0.00 -1.00 0.00 0.00 59.36 58.09 2bkr h GLU 32 Cb 0.10 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.20 2bkr h GLU 32 CO -0.00 0.44 -1.23 0.87 -1.00 0.00 0.00 179.01 178.08 2bkr h LYS 33 N 0.68 0.26 -0.00 2.33 1.57 -1.43 -3.41 116.57 116.56 2bkr h LYS 33 Ca 0.37 -0.44 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 2bkr h LYS 33 Cb 0.52 0.16 0.00 0.00 0.08 0.00 0.00 32.23 33.00 2bkr h LYS 33 CO -0.14 1.21 -0.30 0.39 -0.57 0.00 0.00 179.45 180.03 2bkr n GLU 34 N -3.99 3.24 -0.94 3.15 -0.58 0.24 -5.01 120.64 116.74 2bkr n GLU 34 Ca -0.22 -0.26 0.00 0.00 -0.42 0.00 0.00 57.16 56.26 2bkr n GLU 34 Cb 0.87 -0.97 0.00 0.00 -0.57 0.00 0.00 31.44 30.77 2bkr n GLU 34 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2bkr n GLY 35 N 1.04 0.33 3.63 0.62 0.00 0.19 -5.00 105.19 106.00 2bkr n GLY 35 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 2bkr n GLY 35 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2bkr s ILE 36 N -1.78 4.90 0.37 -0.61 1.01 -1.26 -4.99 121.20 118.84 2bkr s ILE 36 Ca 0.00 1.35 -0.28 0.00 0.00 0.00 0.00 60.65 61.71 2bkr s ILE 36 Cb 0.00 -4.03 -0.11 0.00 0.01 0.00 0.00 42.46 38.33 2bkr s ILE 36 CO 0.00 -0.04 1.51 -2.65 0.00 0.00 0.00 174.94 173.76 2bkr n PRO 37 N 5.88 2.69 -0.02 2.79 -0.02 -1.26 -3.98 135.00 141.08 2bkr n PRO 37 Ca 0.03 0.95 0.12 0.00 -2.02 0.00 0.00 63.50 62.57 2bkr n PRO 37 Cb 0.48 -2.69 0.54 0.00 -0.02 0.00 0.00 33.50 31.81 2bkr n PRO 37 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 2bkr h PRO 38 N 3.21 0.31 0.00 0.52 0.11 -1.96 -0.65 132.00 133.54 2bkr h PRO 38 Ca -0.50 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.59 2bkr h PRO 38 Cb 1.24 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.28 2bkr h PRO 38 CO 0.66 0.20 -0.00 1.96 -0.21 0.00 0.00 178.00 180.61 2bkr h GLN 39 N 0.32 0.00 -0.02 1.05 7.50 -1.97 -1.42 115.11 120.57 2bkr h GLN 39 Ca 0.22 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.37 2bkr h GLN 39 Cb 0.47 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.00 2bkr h GLN 39 CO -0.05 0.00 -0.16 1.04 -1.50 0.00 0.00 178.83 178.16 2bkr n GLN 40 N -3.10 1.56 -3.83 1.46 6.02 -0.26 -4.86 117.38 114.37 2bkr n GLN 40 Ca -0.01 -1.13 -0.36 0.00 -0.01 0.00 0.00 57.00 55.50 2bkr n GLN 40 Cb 0.19 -1.48 -0.06 0.00 1.02 0.00 0.00 30.24 29.92 2bkr n GLN 40 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 2bkr s GLN 41 N -2.22 3.51 -0.01 -1.09 -0.21 -0.54 -1.09 119.66 118.02 2bkr s GLN 41 Ca 0.28 -0.12 0.05 0.00 0.02 0.00 0.00 55.36 55.59 2bkr s GLN 41 Cb 0.20 -3.14 -0.01 0.00 1.00 0.00 0.00 33.01 31.05 2bkr s GLN 41 CO 0.42 0.72 -0.15 1.03 -2.12 0.00 0.00 175.29 175.19 2bkr s ARG 42 N -1.42 1.18 -0.07 2.91 1.81 0.61 -4.84 118.95 119.13 2bkr s ARG 42 Ca 0.21 -0.55 0.04 0.00 -1.72 0.00 0.00 55.73 53.72 2bkr s ARG 42 Cb -0.13 -1.15 -0.01 0.00 -0.45 0.00 0.00 34.95 33.21 2bkr s ARG 42 CO 0.11 0.31 -0.20 -0.51 -0.68 0.00 0.00 175.30 174.33 2bkr s LEU 43 N -0.41 2.33 0.11 2.53 1.43 -1.26 -0.52 118.68 122.89 2bkr s LEU 43 Ca 0.05 -0.42 0.08 0.00 -1.03 0.00 0.00 54.13 52.82 2bkr s LEU 43 Cb -0.06 -1.46 -0.04 0.00 0.03 0.00 0.00 46.19 44.67 2bkr s LEU 43 CO -0.00 0.24 -0.21 0.27 0.23 0.00 0.00 176.35 176.88 2bkr s ILE 44 N -0.12 1.74 -0.26 -0.59 -4.36 -0.42 -2.07 121.20 115.12 2bkr s ILE 44 Ca -0.04 -1.59 -0.26 0.00 -0.26 0.00 0.00 60.65 58.51 2bkr s ILE 44 Cb -0.14 -1.60 0.09 0.00 1.25 0.00 0.00 42.46 42.06 2bkr s ILE 44 CO 0.04 -0.08 0.83 -0.47 0.24 0.00 0.00 174.94 175.50 2bkr s TYR 45 N -1.25 -0.66 -1.55 1.37 5.04 -0.11 -1.57 117.35 118.61 2bkr s TYR 45 Ca 0.07 1.59 -0.13 0.00 -2.44 0.00 0.00 57.07 56.16 2bkr s TYR 45 Cb -0.10 0.31 0.09 0.00 0.35 0.00 0.00 41.96 42.62 2bkr s TYR 45 CO 0.04 -0.34 0.87 0.43 -1.34 0.00 0.00 175.55 175.21 2bkr n SER 46 N 2.37 -3.78 0.00 4.32 7.64 -1.26 -2.00 113.62 120.91 2bkr n SER 46 Ca -0.14 -0.86 0.00 0.00 1.01 0.00 0.00 58.87 58.88 2bkr n SER 46 Cb 0.55 -3.54 0.00 0.00 -1.01 0.00 0.00 64.21 60.22 2bkr n SER 46 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2bkr n GLY 47 N -1.63 0.82 3.11 0.23 0.00 -1.26 -5.02 105.19 101.44 2bkr n GLY 47 Ca -0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 2bkr n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bkr s LYS 48 N -0.29 0.69 0.76 1.61 1.02 -0.85 -5.16 119.74 117.52 2bkr s LYS 48 Ca 0.00 -1.27 -0.11 0.00 0.02 0.00 0.00 55.97 54.61 2bkr s LYS 48 Cb 0.00 0.20 0.05 0.00 -0.52 0.00 0.00 37.83 37.56 2bkr s LYS 48 CO 0.00 -0.14 1.08 1.14 -0.92 0.00 0.00 175.35 176.51 2bkr s GLN 49 N -3.94 2.35 -0.15 1.68 -2.07 -1.26 -0.93 119.66 115.33 2bkr s GLN 49 Ca 0.11 0.93 0.01 0.00 -1.82 0.00 0.00 55.36 54.59 2bkr s GLN 49 Cb 0.08 -1.93 0.00 0.00 -1.09 0.00 0.00 33.01 30.08 2bkr s GLN 49 CO -0.07 -1.51 -0.18 -1.64 -1.32 0.00 0.00 175.29 170.56 2bkr s MET 50 N -5.02 3.13 -0.13 9.60 -1.94 -0.88 -4.79 119.30 119.28 2bkr s MET 50 Ca 0.60 -0.80 -0.29 0.00 -1.71 0.00 0.00 55.69 53.50 2bkr s MET 50 Cb -0.15 -2.54 -0.06 0.00 2.01 0.00 0.00 34.83 34.09 2bkr s MET 50 CO 0.55 0.01 2.01 1.21 -0.01 0.00 0.00 175.02 178.80 2bkr s ASN 51 N 0.79 5.99 0.50 3.03 3.84 -1.26 -4.78 114.94 123.05 2bkr s ASN 51 Ca -0.07 2.12 0.39 0.00 0.21 0.00 0.00 52.86 55.51 2bkr s ASN 51 Cb -0.15 -2.52 1.56 0.00 -0.55 0.00 0.00 41.25 39.58 2bkr s ASN 51 CO -0.00 -1.50 1.63 0.44 -2.79 0.00 0.00 177.10 174.88 2bkr h ASP 52 N 12.62 0.12 0.41 -4.21 3.32 -1.98 -1.48 116.42 125.21 2bkr h ASP 52 Ca -0.43 0.07 0.00 0.00 0.02 0.00 0.00 57.03 56.69 2bkr h ASP 52 Cb 1.22 0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.83 2bkr h ASP 52 CO 0.96 -0.09 -0.46 -0.62 -1.72 0.00 0.00 179.24 177.32 2bkr n GLU 53 N -4.33 0.22 -2.79 3.56 -0.58 -1.26 -1.21 120.64 114.25 2bkr n GLU 53 Ca 0.38 -0.13 -0.23 0.00 -0.42 0.00 0.00 57.16 56.76 2bkr n GLU 53 Cb 1.63 -1.50 0.02 0.00 -0.57 0.00 0.00 31.44 31.02 2bkr n GLU 53 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 2bkr s LYS 54 N -2.87 2.94 0.28 3.49 1.02 -0.56 -4.85 119.74 119.18 2bkr s LYS 54 Ca 0.14 -0.43 0.06 0.00 0.02 0.00 0.00 55.97 55.76 2bkr s LYS 54 Cb 0.18 -2.48 -0.02 0.00 -0.52 0.00 0.00 37.83 34.99 2bkr s LYS 54 CO 0.66 -0.45 0.40 0.95 -0.92 0.00 0.00 175.35 175.99 2bkr s THR 55 N -2.69 4.77 0.26 2.17 -4.23 -1.26 -0.65 115.64 114.01 2bkr s THR 55 Ca 0.51 -1.00 -0.01 0.00 -1.18 0.00 0.00 61.69 60.01 2bkr s THR 55 Cb -0.10 -3.67 0.24 0.00 1.34 0.00 0.00 72.50 70.31 2bkr s THR 55 CO 0.40 -0.26 1.73 0.00 -0.54 0.00 0.00 174.62 175.94 2bkr h ALA 56 N 1.07 1.21 -0.46 3.99 0.00 -1.03 -1.23 119.26 122.81 2bkr h ALA 56 Ca -0.49 0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.50 2bkr h ALA 56 Cb 1.24 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.09 2bkr h ALA 56 CO 0.58 -0.22 0.13 0.00 0.00 0.00 0.00 179.25 179.74 2bkr h ALA 57 N 1.60 1.36 -0.81 0.00 0.00 -1.43 -1.87 119.26 118.10 2bkr h ALA 57 Ca 0.47 -0.17 0.07 0.00 0.00 0.00 0.00 54.91 55.27 2bkr h ALA 57 Cb 0.75 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.30 2bkr h ALA 57 CO -0.43 0.46 0.53 -0.44 0.00 0.00 0.00 179.25 179.37 2bkr h ASP 58 N 0.67 0.78 -0.50 0.00 3.32 -1.51 -2.13 116.42 117.05 2bkr h ASP 58 Ca 0.15 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.21 2bkr h ASP 58 Cb 0.23 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.61 2bkr h ASP 58 CO -0.01 0.50 0.00 -1.22 -1.72 0.00 0.00 179.24 176.80 2bkr n TYR 59 N -4.48 0.70 -3.59 4.55 4.01 -0.85 -4.95 117.16 112.55 2bkr n TYR 59 Ca 0.12 -0.34 -0.27 0.00 -0.16 0.00 0.00 57.90 57.25 2bkr n TYR 59 Cb 0.22 -0.01 0.02 0.00 -0.31 0.00 0.00 39.34 39.25 2bkr n TYR 59 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 2bkr n LYS 60 N 0.94 -5.00 -2.57 -0.72 4.01 -0.80 -4.93 118.16 109.10 2bkr n LYS 60 Ca 0.17 0.64 -0.42 0.00 -0.51 0.00 0.00 58.31 58.19 2bkr n LYS 60 Cb 0.44 -5.49 -0.03 0.00 -0.51 0.00 0.00 35.03 29.44 2bkr n LYS 60 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 2bkr s ILE 61 N -3.18 4.28 0.35 -0.18 1.01 -0.76 -5.03 121.20 117.68 2bkr s ILE 61 Ca 0.53 1.75 0.05 0.00 0.00 0.00 0.00 60.65 62.98 2bkr s ILE 61 Cb -0.26 -4.12 -0.07 0.00 0.01 0.00 0.00 42.46 38.02 2bkr s ILE 61 CO 0.65 0.20 0.03 -0.76 0.00 0.00 0.00 174.94 175.06 2bkr s LEU 62 N 0.53 2.42 0.27 2.97 1.43 -1.26 -4.72 118.68 120.33 2bkr s LEU 62 Ca 0.53 -1.35 -0.30 0.00 -1.03 0.00 0.00 54.13 51.98 2bkr s LEU 62 Cb -0.26 -0.57 -0.13 0.00 0.03 0.00 0.00 46.19 45.26 2bkr s LEU 62 CO 0.30 -0.53 1.27 0.61 0.23 0.00 0.00 176.35 178.23 2bkr n GLY 63 N -0.76 0.43 2.13 -3.19 0.00 -1.26 -1.06 105.19 101.48 2bkr n GLY 63 Ca -0.03 0.42 0.00 0.00 0.00 0.00 0.00 46.02 46.40 2bkr n GLY 63 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bkr n GLY 64 N 1.56 2.51 3.63 -0.02 0.00 0.43 -4.98 105.19 108.32 2bkr n GLY 64 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 2bkr n GLY 64 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2bkr n SER 65 N 0.00 1.32 -4.22 1.61 7.64 -0.22 -4.73 113.62 115.03 2bkr n SER 65 Ca 0.00 0.96 -0.35 0.00 1.01 0.00 0.00 58.87 60.50 2bkr n SER 65 Cb 0.00 -1.39 -0.14 0.00 -1.01 0.00 0.00 64.21 61.66 2bkr n SER 65 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2bkr s VAL 66 N -1.35 2.99 0.28 0.44 1.01 -1.26 -1.22 120.40 121.28 2bkr s VAL 66 Ca 0.67 -0.95 -0.02 0.00 0.00 0.00 0.00 61.98 61.69 2bkr s VAL 66 Cb -0.49 -2.50 -0.04 0.00 0.00 0.00 0.00 36.38 33.34 2bkr s VAL 66 CO 0.54 0.22 0.50 -0.76 0.00 0.00 0.00 175.10 175.59 2bkr s LEU 67 N 1.35 4.10 -0.02 3.92 1.43 0.10 -4.87 118.68 124.70 2bkr s LEU 67 Ca 0.01 0.53 0.05 0.00 -1.03 0.00 0.00 54.13 53.68 2bkr s LEU 67 Cb -0.16 -3.34 -0.03 0.00 0.03 0.00 0.00 46.19 42.69 2bkr s LEU 67 CO -0.04 -0.17 -0.14 -1.00 0.23 0.00 0.00 176.35 175.22 2bkr s HIS 68 N -2.08 2.68 -0.26 0.29 3.76 -0.61 -0.92 115.29 118.15 2bkr s HIS 68 Ca 0.41 -0.17 -0.08 0.00 -0.15 0.00 0.00 55.06 55.07 2bkr s HIS 68 Cb -0.10 -1.58 -0.02 0.00 1.11 0.00 0.00 32.58 31.99 2bkr s HIS 68 CO 0.31 0.23 0.09 -1.17 -0.85 0.00 0.00 174.74 173.34 2bkr s LEU 69 N -1.01 3.60 -0.10 0.89 2.96 0.80 -1.30 118.68 124.51 2bkr s LEU 69 Ca 0.13 -0.32 0.01 0.00 -0.22 0.00 0.00 54.13 53.74 2bkr s LEU 69 Cb -0.11 -1.93 -0.02 0.00 0.50 0.00 0.00 46.19 44.63 2bkr s LEU 69 CO 0.03 -0.08 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.15 2bkr s VAL 70 N 1.60 3.05 0.59 1.68 1.01 0.32 -3.46 120.40 125.20 2bkr s VAL 70 Ca 0.06 -0.68 -0.11 0.00 0.00 0.00 0.00 61.98 61.25 2bkr s VAL 70 Cb -0.16 -2.25 -0.04 0.00 0.00 0.00 0.00 36.38 33.92 2bkr s VAL 70 CO 0.04 0.55 0.99 -0.76 0.00 0.00 0.00 175.10 175.92 2bkr s LEU 71 N 0.01 3.33 0.44 3.92 1.43 -1.26 -0.28 118.68 126.27 2bkr s LEU 71 Ca -0.04 1.38 -0.25 0.00 -1.03 0.00 0.00 54.13 54.19 2bkr s LEU 71 Cb -0.14 -4.40 -0.08 0.00 0.03 0.00 0.00 46.19 41.60 2bkr s LEU 71 CO 0.04 -0.79 1.30 0.00 0.23 0.00 0.00 176.35 177.12 2bkr s ALA 72 N -3.05 3.15 0.05 4.21 0.00 -0.25 -4.81 121.76 121.06 2bkr s ALA 72 Ca 0.55 1.21 0.08 0.00 0.00 0.00 0.00 51.96 53.80 2bkr s ALA 72 Cb -0.11 -3.49 -0.03 0.00 0.00 0.00 0.00 23.12 19.50 2bkr s ALA 72 CO 0.50 -0.90 -0.22 -0.51 0.00 0.00 0.00 175.76 174.63 2bkr s LEU 73 N -2.70 2.19 0.33 0.00 1.43 -1.26 -5.08 118.68 113.58 2bkr s LEU 73 Ca 0.60 -0.56 -0.09 0.00 -1.03 0.00 0.00 54.13 53.06 2bkr s LEU 73 Cb -0.37 -1.01 0.02 0.00 0.03 0.00 0.00 46.19 44.85 2bkr s LEU 73 CO 0.47 0.16 0.57 0.00 0.23 0.00 0.00 176.35 177.78 2bkr s ARG 74 N -1.29 1.92 0.00 1.70 1.70 -1.26 -5.18 118.95 116.54 2bkr s ARG 74 Ca 0.08 -1.55 0.00 0.00 -0.47 0.00 0.00 55.73 53.79 2bkr s ARG 74 Cb -0.09 0.50 0.00 0.00 -0.57 0.00 0.00 34.95 34.79 2bkr s ARG 74 CO 0.02 -0.83 0.00 0.41 -1.08 0.00 0.00 175.30 173.82 2bkr n GLY 75 N -0.52 1.03 0.70 3.88 0.00 -1.26 -5.33 105.19 103.70 2bkr n GLY 75 Ca -0.02 -0.56 0.09 0.00 0.00 0.00 0.00 46.02 45.53 2bkr n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93