#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b9m s PHE 6 N 0.00 3.50 0.10 2.11 0.40 -1.26 -4.53 117.98 118.30 2b9m s PHE 6 Ca 0.00 0.33 0.09 0.00 -0.60 0.00 0.00 56.93 56.75 2b9m s PHE 6 Cb 0.00 -1.83 -0.04 0.00 0.51 0.00 0.00 43.02 41.66 2b9m s PHE 6 CO 0.00 0.51 -0.20 -2.00 0.70 0.00 0.00 175.22 174.24 2b9m s GLU 7 N -2.72 1.78 -0.21 0.44 2.12 0.12 -4.96 118.70 115.27 2b9m s GLU 7 Ca 0.37 -1.16 -0.10 0.00 0.36 0.00 0.00 54.97 54.44 2b9m s GLU 7 Cb -0.12 -2.09 -0.05 0.00 0.26 0.00 0.00 34.13 32.13 2b9m s GLU 7 CO 0.27 0.49 0.13 -2.00 -0.54 0.00 0.00 175.26 173.61 2b9m s GLU 8 N -1.97 4.12 -0.21 4.30 2.56 -1.26 -3.05 118.70 123.19 2b9m s GLU 8 Ca 0.17 -0.26 -0.01 0.00 0.00 0.00 0.00 54.97 54.87 2b9m s GLU 8 Cb -0.10 -3.43 0.06 0.00 2.00 0.00 0.00 34.13 32.66 2b9m s GLU 8 CO 0.08 0.22 -0.01 0.15 -0.56 0.00 0.00 175.26 175.14 2b9m s LYS 9 N 0.59 1.10 -0.35 4.30 1.02 -0.78 -5.05 119.74 120.57 2b9m s LYS 9 Ca 0.07 -0.65 -0.13 0.00 0.02 0.00 0.00 55.97 55.29 2b9m s LYS 9 Cb -0.12 -2.27 -0.01 0.00 -0.52 0.00 0.00 37.83 34.91 2b9m s LYS 9 CO 0.00 -0.60 0.24 1.41 -0.92 0.00 0.00 175.35 175.48 2b9m s MET 10 N 1.66 3.35 0.00 1.68 -2.45 -1.26 -0.13 119.30 122.14 2b9m s MET 10 Ca -0.03 -0.74 0.00 0.00 -1.25 0.00 0.00 55.69 53.67 2b9m s MET 10 Cb -0.18 -3.80 0.00 0.00 1.25 0.00 0.00 34.83 32.11 2b9m s MET 10 CO -0.07 -0.51 0.00 -0.89 1.05 0.00 0.00 175.02 174.60 2b9m n ILE 11 N 5.09 0.00 -4.45 10.11 2.08 -0.84 -5.01 119.36 126.34 2b9m n ILE 11 Ca -0.12 0.06 -0.24 0.00 0.56 0.00 0.00 62.75 63.00 2b9m n ILE 11 Cb 0.49 -0.19 -0.10 0.00 -0.75 0.00 0.00 39.64 39.09 2b9m n ILE 11 CO 0.00 0.00 0.00 -1.48 0.56 0.00 0.00 176.55 175.63 2b9m s LEU 12 N 0.00 2.72 -0.34 1.39 -0.00 -1.26 -4.96 118.68 116.23 2b9m s LEU 12 Ca 0.00 -1.01 0.15 0.00 -0.00 0.00 0.00 54.13 53.28 2b9m s LEU 12 Cb 0.00 -1.18 0.43 0.00 -0.00 0.00 0.00 46.19 45.43 2b9m s LEU 12 CO 0.00 -0.03 0.96 -0.38 -0.00 0.00 0.00 176.35 176.90 2b9m n ILE 13 N -0.71 0.61 -1.68 1.48 -0.00 -1.26 -1.04 119.36 116.76 2b9m n ILE 13 Ca -0.05 -3.11 -0.49 0.00 -0.00 0.00 0.00 62.75 59.10 2b9m n ILE 13 Cb 0.61 0.56 -0.05 0.00 -0.00 0.00 0.00 39.64 40.76 2b9m n ILE 13 CO 0.00 0.00 0.00 -2.11 -0.00 0.00 0.00 176.55 174.44 2b9m n ARG 14 N -0.04 2.15 -2.34 0.38 1.85 -1.26 -4.79 116.66 112.61 2b9m n ARG 14 Ca 0.11 0.79 -0.43 0.00 -1.00 0.00 0.00 57.85 57.31 2b9m n ARG 14 Cb 0.79 -2.63 -0.02 0.00 -1.05 0.00 0.00 32.46 29.55 2b9m n ARG 14 CO 0.00 0.00 0.00 0.50 -0.01 0.00 0.00 177.63 178.12 2b9m s ARG 15 N 3.98 3.58 0.34 2.89 3.00 -1.26 -3.24 118.95 128.24 2b9m s ARG 15 Ca 0.93 0.97 -0.07 0.00 -1.00 0.00 0.00 55.73 56.56 2b9m s ARG 15 Cb -0.70 -4.03 -0.06 0.00 0.00 0.00 0.00 34.95 30.17 2b9m s ARG 15 CO 0.52 -1.56 0.64 0.95 0.00 0.00 0.00 175.30 175.85 2b9m s THR 16 N 5.44 4.94 -0.08 4.11 -4.23 0.16 -4.97 115.64 121.00 2b9m s THR 16 Ca 0.62 0.25 0.01 0.00 -1.18 0.00 0.00 61.69 61.39 2b9m s THR 16 Cb -0.14 -3.74 0.02 0.00 1.34 0.00 0.00 72.50 69.98 2b9m s THR 16 CO 0.32 -0.41 -0.09 0.00 -0.54 0.00 0.00 174.62 173.90 2b9m s ALA 17 N -2.21 1.21 -0.18 3.99 0.00 -1.26 -2.11 121.76 121.20 2b9m s ALA 17 Ca 0.47 -0.42 0.00 0.00 0.00 0.00 0.00 51.96 52.01 2b9m s ALA 17 Cb -0.11 -0.68 0.01 0.00 0.00 0.00 0.00 23.12 22.34 2b9m s ALA 17 CO 0.31 -0.11 -0.16 0.50 0.00 0.00 0.00 175.76 176.30 2b9m s ARG 18 N 1.10 3.12 0.60 0.00 3.52 -1.26 -5.00 118.95 121.03 2b9m s ARG 18 Ca -0.07 -0.77 -0.14 0.00 -0.13 0.00 0.00 55.73 54.62 2b9m s ARG 18 Cb -0.14 -2.65 -0.04 0.00 -1.56 0.00 0.00 34.95 30.56 2b9m s ARG 18 CO -0.01 -0.13 1.04 -1.64 -0.81 0.00 0.00 175.30 173.74 2b9m s MET 19 N 1.16 3.42 0.09 5.12 -1.94 -1.26 -3.27 119.30 122.62 2b9m s MET 19 Ca 0.01 1.04 -0.26 0.00 -1.71 0.00 0.00 55.69 54.78 2b9m s MET 19 Cb -0.14 -2.05 0.08 0.00 2.01 0.00 0.00 34.83 34.73 2b9m s MET 19 CO -0.07 -0.71 0.76 -1.14 -0.01 0.00 0.00 175.02 173.85 2b9m s GLN 20 N -4.39 1.09 -0.15 2.03 -0.44 -1.12 -4.90 119.66 111.78 2b9m s GLN 20 Ca 0.60 -0.43 -0.29 0.00 -2.50 0.00 0.00 55.36 52.74 2b9m s GLN 20 Cb -0.14 0.48 -0.05 0.00 -1.64 0.00 0.00 33.01 31.67 2b9m s GLN 20 CO 0.41 -0.48 1.89 0.00 0.50 0.00 0.00 175.29 177.60 2b9m s ALA 21 N -3.44 3.20 0.00 1.58 0.00 -1.26 -3.03 121.76 118.80 2b9m s ALA 21 Ca 0.04 0.79 0.00 0.00 0.00 0.00 0.00 51.96 52.79 2b9m s ALA 21 Cb -0.01 -3.92 0.00 0.00 0.00 0.00 0.00 23.12 19.19 2b9m s ALA 21 CO -0.09 -2.10 0.00 0.41 0.00 0.00 0.00 175.76 173.98 2b9m n GLY 22 N 4.95 2.60 0.00 0.00 0.00 -1.26 -5.02 105.19 106.46 2b9m n GLY 22 Ca 0.22 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.42 2b9m n GLY 22 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2b9m n GLY 23 N 0.00 2.75 3.27 -0.02 0.00 -1.17 -5.16 105.19 104.87 2b9m n GLY 23 Ca 0.00 -0.07 -0.34 0.00 0.00 0.00 0.00 46.02 45.61 2b9m n GLY 23 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2b9m s ARG 24 N 4.96 3.29 -0.22 1.61 0.52 -1.26 -2.81 118.95 125.04 2b9m s ARG 24 Ca 0.00 -0.68 -0.02 0.00 -0.52 0.00 0.00 55.73 54.51 2b9m s ARG 24 Cb 0.00 -2.87 0.07 0.00 0.52 0.00 0.00 34.95 32.67 2b9m s ARG 24 CO 0.00 -0.15 0.04 1.03 0.02 0.00 0.00 175.30 176.24 2b9m s ARG 25 N 1.31 0.71 0.00 3.54 0.52 -1.20 -5.05 118.95 118.77 2b9m s ARG 25 Ca 0.04 -0.56 0.00 0.00 -0.52 0.00 0.00 55.73 54.69 2b9m s ARG 25 Cb -0.14 -2.10 0.00 0.00 0.52 0.00 0.00 34.95 33.23 2b9m s ARG 25 CO -0.04 -0.70 0.00 1.97 0.02 0.00 0.00 175.30 176.55 2b9m n PHE 26 N 5.00 0.00 -3.79 -0.53 1.16 -1.26 -4.07 117.46 113.97 2b9m n PHE 26 Ca -0.08 0.00 -0.04 0.00 -1.87 0.00 0.00 57.45 55.46 2b9m n PHE 26 Cb 0.46 0.00 -0.01 0.00 -1.61 0.00 0.00 39.48 38.32 2b9m n PHE 26 CO 0.00 0.00 0.00 -0.98 -1.87 0.00 0.00 176.76 173.91 2b9m s ARG 27 N 1.24 1.34 -0.02 3.97 1.70 -0.89 -4.77 118.95 121.52 2b9m s ARG 27 Ca 0.00 -0.78 0.05 0.00 -0.47 0.00 0.00 55.73 54.53 2b9m s ARG 27 Cb 0.00 0.44 -0.01 0.00 -0.57 0.00 0.00 34.95 34.81 2b9m s ARG 27 CO 0.00 -0.62 -0.16 -0.59 -1.08 0.00 0.00 175.30 172.85 2b9m s PHE 28 N -3.10 1.48 0.64 5.89 -0.12 -0.36 0.36 117.98 122.77 2b9m s PHE 28 Ca 0.14 -0.33 -0.09 0.00 -0.05 0.00 0.00 56.93 56.60 2b9m s PHE 28 Cb -0.02 -0.97 0.14 0.00 -0.63 0.00 0.00 43.02 41.54 2b9m s PHE 28 CO 0.04 -0.07 0.87 0.41 -0.05 0.00 0.00 175.22 176.42 2b9m n GLY 29 N 2.86 -0.85 3.58 1.99 0.00 -1.20 -2.05 105.19 109.53 2b9m n GLY 29 Ca -0.16 -1.78 -0.02 0.00 0.00 0.00 0.00 46.02 44.07 2b9m n GLY 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2b9m s ALA 30 N -3.74 -2.35 -0.11 4.61 0.00 -0.67 -4.35 121.76 115.15 2b9m s ALA 30 Ca 0.51 2.19 -0.13 0.00 0.00 0.00 0.00 51.96 54.54 2b9m s ALA 30 Cb -0.02 -1.78 -0.05 0.00 0.00 0.00 0.00 23.12 21.27 2b9m s ALA 30 CO 0.35 -0.54 0.29 -1.17 0.00 0.00 0.00 175.76 174.69 2b9m s LEU 31 N 1.74 4.34 -0.05 0.00 0.20 -0.20 -1.74 118.68 122.96 2b9m s LEU 31 Ca -0.07 0.62 -0.02 0.00 0.69 0.00 0.00 54.13 55.35 2b9m s LEU 31 Cb -0.05 -2.36 0.04 0.00 -0.43 0.00 0.00 46.19 43.39 2b9m s LEU 31 CO -0.16 0.23 0.10 -0.69 -0.29 0.00 0.00 176.35 175.53 2b9m s VAL 32 N -0.27 -0.12 -0.12 1.68 1.01 -1.14 -1.99 120.40 119.46 2b9m s VAL 32 Ca 0.18 0.29 -0.10 0.00 0.00 0.00 0.00 61.98 62.36 2b9m s VAL 32 Cb -0.14 -0.19 -0.05 0.00 0.00 0.00 0.00 36.38 36.01 2b9m s VAL 32 CO 0.06 0.12 0.20 -0.69 0.00 0.00 0.00 175.10 174.79 2b9m s VAL 33 N 1.64 5.39 -0.09 2.92 1.01 0.81 -3.20 120.40 128.88 2b9m s VAL 33 Ca -0.03 0.35 -0.01 0.00 0.00 0.00 0.00 61.98 62.28 2b9m s VAL 33 Cb -0.12 -3.49 0.03 0.00 0.00 0.00 0.00 36.38 32.80 2b9m s VAL 33 CO -0.04 0.55 -0.01 -0.69 0.00 0.00 0.00 175.10 174.90 2b9m s VAL 34 N -0.56 0.51 0.33 2.92 1.01 -1.03 -1.87 120.40 121.72 2b9m s VAL 34 Ca 0.15 -0.02 -0.01 0.00 0.00 0.00 0.00 61.98 62.10 2b9m s VAL 34 Cb -0.13 -0.68 -0.00 0.00 0.00 0.00 0.00 36.38 35.57 2b9m s VAL 34 CO 0.04 0.24 0.43 -0.83 0.00 0.00 0.00 175.10 174.98 2b9m s GLY 35 N 1.91 1.61 -0.01 4.51 0.00 -1.17 -2.00 107.32 112.17 2b9m s GLY 35 Ca 0.04 -1.60 0.10 0.00 0.00 0.00 0.00 44.72 43.26 2b9m s GLY 35 CO -0.06 -1.08 0.25 2.09 0.00 0.00 0.00 173.10 174.30 2b9m n ASP 36 N -1.37 2.29 -0.12 1.64 5.75 -1.14 0.11 116.55 123.70 2b9m n ASP 36 Ca 0.02 -0.15 0.00 0.00 -0.01 0.00 0.00 54.79 54.65 2b9m n ASP 36 Cb 0.62 1.35 0.00 0.00 -1.03 0.00 0.00 41.12 42.06 2b9m n ASP 36 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2b9m n ARG 37 N -1.71 0.00 -2.66 0.11 1.74 -1.10 -4.90 116.66 108.14 2b9m n ARG 37 Ca -0.01 0.00 -0.05 0.00 -0.77 0.00 0.00 57.85 57.02 2b9m n ARG 37 Cb 0.23 -1.16 0.07 0.00 -1.02 0.00 0.00 32.46 30.57 2b9m n ARG 37 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 2b9m n GLN 38 N -0.51 0.79 0.00 5.56 6.02 -1.05 -4.39 117.38 123.81 2b9m n GLN 38 Ca 0.00 -1.33 0.00 0.00 -0.01 0.00 0.00 57.00 55.66 2b9m n GLN 38 Cb 0.20 -0.01 0.00 0.00 1.02 0.00 0.00 30.24 31.45 2b9m n GLN 38 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2b9m n GLY 39 N -0.59 3.17 3.69 1.08 0.00 0.49 -4.91 105.19 108.12 2b9m n GLY 39 Ca -0.13 -0.88 -0.42 0.00 0.00 0.00 0.00 46.02 44.59 2b9m n GLY 39 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2b9m s ARG 40 N 0.00 4.23 0.19 1.61 0.52 -1.26 -2.28 118.95 121.95 2b9m s ARG 40 Ca 0.00 2.20 -0.18 0.00 -0.52 0.00 0.00 55.73 57.23 2b9m s ARG 40 Cb 0.00 -3.60 0.03 0.00 0.52 0.00 0.00 34.95 31.90 2b9m s ARG 40 CO 0.00 -0.68 0.53 0.14 0.02 0.00 0.00 175.30 175.31 2b9m s VAL 41 N 2.59 0.03 -0.29 3.52 -7.23 -0.94 -2.87 120.40 115.20 2b9m s VAL 41 Ca 0.70 -0.69 -0.23 0.00 -1.81 0.00 0.00 61.98 59.96 2b9m s VAL 41 Cb -0.37 -1.50 0.17 0.00 0.56 0.00 0.00 36.38 35.24 2b9m s VAL 41 CO 0.30 -0.11 1.23 -0.83 -0.31 0.00 0.00 175.10 175.38 2b9m s GLY 42 N -2.86 0.18 -0.01 2.32 0.00 -0.85 0.88 107.32 106.99 2b9m s GLY 42 Ca 0.08 3.25 0.08 0.00 0.00 0.00 0.00 44.72 48.13 2b9m s GLY 42 CO -0.04 2.09 -0.26 -2.27 0.00 0.00 0.00 173.10 172.62 2b9m s LEU 43 N 0.37 2.07 0.05 0.66 0.20 -1.23 -2.45 118.68 118.34 2b9m s LEU 43 Ca 0.02 -0.48 -0.22 0.00 0.69 0.00 0.00 54.13 54.13 2b9m s LEU 43 Cb -0.04 -1.31 0.05 0.00 -0.43 0.00 0.00 46.19 44.45 2b9m s LEU 43 CO -0.12 0.31 0.52 -0.83 -0.29 0.00 0.00 176.35 175.94 2b9m s GLY 44 N -0.70 -0.43 0.04 7.98 0.00 -1.19 -4.44 107.32 108.57 2b9m s GLY 44 Ca 0.10 0.61 0.07 0.00 0.00 0.00 0.00 44.72 45.49 2b9m s GLY 44 CO -0.01 0.31 -0.19 -0.11 0.00 0.00 0.00 173.10 173.10 2b9m s PHE 45 N -2.44 1.63 0.01 1.90 -0.00 -1.26 -2.89 117.98 114.94 2b9m s PHE 45 Ca -0.05 -0.36 0.01 0.00 -0.00 0.00 0.00 56.93 56.53 2b9m s PHE 45 Cb -0.01 -0.98 -0.04 0.00 -0.00 0.00 0.00 43.02 42.00 2b9m s PHE 45 CO -0.02 0.07 0.03 0.20 -0.00 0.00 0.00 175.22 175.50 2b9m s GLY 46 N -1.13 1.93 -0.42 1.99 0.00 -0.71 -4.62 107.32 104.37 2b9m s GLY 46 Ca 0.06 -0.95 0.02 0.00 0.00 0.00 0.00 44.72 43.84 2b9m s GLY 46 CO 0.02 -0.84 0.21 0.54 0.00 0.00 0.00 173.10 173.02 2b9m s LYS 47 N -1.75 1.23 0.05 2.90 3.01 -1.26 -1.67 119.74 122.24 2b9m s LYS 47 Ca 0.22 -1.87 0.01 0.00 -1.01 0.00 0.00 55.97 53.32 2b9m s LYS 47 Cb -0.12 -2.36 -0.03 0.00 -1.01 0.00 0.00 37.83 34.32 2b9m s LYS 47 CO 0.13 -1.12 -0.06 0.00 0.51 0.00 0.00 175.35 174.81 2b9m s ALA 48 N 0.57 0.51 -1.91 5.17 0.00 -0.87 -5.00 121.76 120.24 2b9m s ALA 48 Ca 0.16 -0.88 0.15 0.00 0.00 0.00 0.00 51.96 51.40 2b9m s ALA 48 Cb -0.23 0.12 0.90 0.00 0.00 0.00 0.00 23.12 23.91 2b9m s ALA 48 CO -0.04 -0.14 1.35 -0.35 0.00 0.00 0.00 175.76 176.58 2b9m n PRO 49 N 1.07 0.44 -4.14 0.00 -0.04 -1.26 -1.22 135.00 129.84 2b9m n PRO 49 Ca -0.20 0.02 -0.09 0.00 -0.04 0.00 0.00 63.50 63.19 2b9m n PRO 49 Cb 0.57 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.43 2b9m n PRO 49 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2b9m s GLU 50 N -2.09 0.81 0.01 0.54 0.41 -1.26 -4.80 118.70 112.32 2b9m s GLU 50 Ca 0.22 -1.35 -0.08 0.00 -0.41 0.00 0.00 54.97 53.35 2b9m s GLU 50 Cb 0.11 0.07 -0.04 0.00 -1.78 0.00 0.00 34.13 32.48 2b9m s GLU 50 CO 0.19 -0.14 1.05 0.28 -0.49 0.00 0.00 175.26 176.16 2b9m h VAL 51 N 2.97 0.00 0.00 2.63 2.07 -1.95 -2.88 116.25 119.09 2b9m h VAL 51 Ca -0.35 -0.01 -0.12 0.00 0.82 0.00 0.00 66.70 67.03 2b9m h VAL 51 Cb 1.17 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.92 2b9m h VAL 51 CO 0.63 0.00 -0.58 -0.65 0.02 0.00 0.00 177.57 176.99 2b9m h PRO 52 N -0.30 0.00 -1.00 1.57 0.11 -1.99 -2.72 132.00 127.66 2b9m h PRO 52 Ca -0.03 0.00 0.19 0.00 0.11 0.00 0.00 66.00 66.27 2b9m h PRO 52 Cb 0.22 0.00 -0.10 0.00 0.11 0.00 0.00 31.00 31.22 2b9m h PRO 52 CO 0.05 0.58 0.61 -0.07 -0.21 0.00 0.00 178.00 178.96 2b9m h LEU 53 N 0.00 0.77 -0.01 2.35 -0.00 -1.99 0.15 115.31 116.58 2b9m h LEU 53 Ca -0.01 0.09 -0.01 0.00 -0.00 0.00 0.00 57.88 57.96 2b9m h LEU 53 Cb 1.14 -0.04 0.00 0.00 -0.00 0.00 0.00 40.66 41.76 2b9m h LEU 53 CO 0.08 0.27 -0.02 0.00 -0.00 0.00 0.00 178.44 178.76 2b9m h ALA 54 N 1.64 0.01 -0.91 1.53 0.00 -1.33 -2.12 119.26 118.08 2b9m h ALA 54 Ca 0.58 -0.34 0.12 0.00 0.00 0.00 0.00 54.91 55.27 2b9m h ALA 54 Cb 0.92 -0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.64 2b9m h ALA 54 CO -0.37 -0.14 0.58 0.28 0.00 0.00 0.00 179.25 179.60 2b9m h VAL 55 N -0.62 0.89 0.00 0.00 2.07 -0.96 0.65 116.25 118.28 2b9m h VAL 55 Ca -0.00 -0.28 -0.08 0.00 0.82 0.00 0.00 66.70 67.16 2b9m h VAL 55 Cb 0.69 0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.45 2b9m h VAL 55 CO 0.01 0.15 -0.86 1.56 0.02 0.00 0.00 177.57 178.44 2b9m h GLN 56 N 0.81 0.00 0.11 1.57 7.50 -0.87 -2.94 115.11 121.29 2b9m h GLN 56 Ca 0.45 0.00 -0.30 0.00 0.50 0.00 0.00 58.65 59.30 2b9m h GLN 56 Cb 0.58 0.00 0.03 0.00 0.05 0.00 0.00 27.48 28.13 2b9m h GLN 56 CO -0.21 0.23 -1.23 -0.22 -1.50 0.00 0.00 178.83 175.90 2b9m h LYS 57 N 0.00 0.64 -0.58 1.46 3.64 -0.48 -3.05 116.57 118.21 2b9m h LYS 57 Ca -0.06 -0.83 -0.11 0.00 -1.27 0.00 0.00 60.65 58.38 2b9m h LYS 57 Cb 1.30 0.27 -0.02 0.00 -0.41 0.00 0.00 32.23 33.37 2b9m h LYS 57 CO 0.03 1.38 -0.06 0.00 -2.27 0.00 0.00 179.45 178.54 2b9m h ALA 58 N 0.30 0.80 0.00 5.00 0.00 0.15 -2.53 119.26 122.98 2b9m h ALA 58 Ca -0.18 -0.33 -0.08 0.00 0.00 0.00 0.00 54.91 54.31 2b9m h ALA 58 Cb 1.90 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 19.47 2b9m h ALA 58 CO 0.24 0.67 -0.39 0.78 0.00 0.00 0.00 179.25 180.55 2b9m h GLY 59 N 0.96 0.00 1.47 0.00 0.00 -1.65 -2.29 103.07 101.55 2b9m h GLY 59 Ca 0.16 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.42 2b9m h GLY 59 CO 0.04 0.00 -0.05 -1.82 0.00 0.00 0.00 176.54 174.71 2b9m h TYR 60 N 0.00 0.69 0.00 5.60 3.20 -1.34 -0.63 116.97 124.49 2b9m h TYR 60 Ca -0.00 -0.10 0.00 0.00 3.14 0.00 0.00 58.73 61.77 2b9m h TYR 60 Cb 0.76 -0.19 0.00 0.00 1.54 0.00 0.00 36.73 38.84 2b9m h TYR 60 CO 0.00 0.69 -0.33 1.88 -1.64 0.00 0.00 178.16 178.76 2b9m h TYR 61 N 0.61 0.00 0.00 -3.82 0.05 -1.42 -3.17 116.97 109.22 2b9m h TYR 61 Ca 0.12 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.90 2b9m h TYR 61 Cb 0.46 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.20 2b9m h TYR 61 CO 0.02 0.00 0.00 0.00 -1.05 0.00 0.00 178.16 177.13 2b9m n ALA 62 N -2.09 2.33 -0.02 3.88 0.00 -0.78 -3.43 120.51 120.40 2b9m n ALA 62 Ca 0.03 -0.10 -0.11 0.00 0.00 0.00 0.00 53.44 53.25 2b9m n ALA 62 Cb 0.53 -1.47 -0.14 0.00 0.00 0.00 0.00 19.45 18.37 2b9m n ALA 62 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2b9m n ARG 63 N -1.49 0.66 -0.24 0.00 3.00 -0.31 -4.33 116.66 113.95 2b9m n ARG 63 Ca 0.07 0.27 0.00 0.00 -0.01 0.00 0.00 57.85 58.18 2b9m n ARG 63 Cb 0.33 -1.75 0.00 0.00 0.00 0.00 0.00 32.46 31.04 2b9m n ARG 63 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.63 180.52 2b9m n ARG 64 N -3.12 0.85 -4.06 5.56 1.85 -1.22 -4.64 116.66 111.88 2b9m n ARG 64 Ca -0.21 0.00 -0.32 0.00 -1.00 0.00 0.00 57.85 56.32 2b9m n ARG 64 Cb 1.06 0.00 -0.01 0.00 -1.05 0.00 0.00 32.46 32.46 2b9m n ARG 64 CO 0.00 0.00 0.00 -1.71 -0.01 0.00 0.00 177.63 175.91 2b9m n ASN 65 N -1.94 -3.15 -4.72 2.89 5.15 -1.26 -4.62 115.26 107.61 2b9m n ASN 65 Ca 0.00 -0.93 -0.35 0.00 -0.60 0.00 0.00 54.58 52.70 2b9m n ASN 65 Cb 0.00 -3.22 -0.08 0.00 -0.53 0.00 0.00 39.78 35.95 2b9m n ASN 65 CO 0.00 0.00 0.00 -0.04 1.40 0.00 0.00 177.26 178.62 2b9m s MET 66 N -6.73 4.17 0.03 1.20 -1.94 -1.26 -3.53 119.30 111.25 2b9m s MET 66 Ca 0.55 -0.23 0.05 0.00 -1.71 0.00 0.00 55.69 54.35 2b9m s MET 66 Cb -0.29 -3.42 -0.03 0.00 2.01 0.00 0.00 34.83 33.10 2b9m s MET 66 CO 0.89 0.29 -0.09 0.08 -0.01 0.00 0.00 175.02 176.17 2b9m s VAL 67 N 0.39 3.44 -0.17 -6.03 1.01 0.25 -4.96 120.40 114.34 2b9m s VAL 67 Ca 0.08 -0.93 -0.06 0.00 0.00 0.00 0.00 61.98 61.06 2b9m s VAL 67 Cb -0.11 -2.51 -0.04 0.00 0.00 0.00 0.00 36.38 33.72 2b9m s VAL 67 CO -0.02 0.34 0.04 -0.70 0.00 0.00 0.00 175.10 174.76 2b9m s GLU 68 N -1.56 3.89 -0.43 2.72 2.56 -1.26 -2.22 118.70 122.40 2b9m s GLU 68 Ca 0.17 -0.38 -0.11 0.00 0.00 0.00 0.00 54.97 54.66 2b9m s GLU 68 Cb -0.11 -3.14 0.08 0.00 2.00 0.00 0.00 34.13 32.96 2b9m s GLU 68 CO 0.08 0.28 0.29 0.08 -0.56 0.00 0.00 175.26 175.43 2b9m s VAL 69 N 0.33 4.44 -1.07 3.70 1.01 -0.97 -4.92 120.40 122.93 2b9m s VAL 69 Ca 0.02 -1.32 -0.25 0.00 0.00 0.00 0.00 61.98 60.42 2b9m s VAL 69 Cb -0.13 -3.70 -0.16 0.00 0.00 0.00 0.00 36.38 32.39 2b9m s VAL 69 CO 0.01 -0.52 2.09 -2.84 0.00 0.00 0.00 175.10 173.84 2b9m s PRO 70 N 1.47 1.70 0.89 2.72 0.02 -1.26 -4.47 135.00 136.06 2b9m s PRO 70 Ca 0.03 -0.53 -0.10 0.00 0.02 0.00 0.00 61.00 60.42 2b9m s PRO 70 Cb -0.23 -5.04 0.13 0.00 0.02 0.00 0.00 34.50 29.38 2b9m s PRO 70 CO 0.03 -4.80 1.15 -0.51 -0.33 0.00 0.00 177.00 172.54 2b9m s LEU 71 N 14.56 2.90 -0.47 -5.54 1.02 -1.26 -4.87 118.68 125.02 2b9m s LEU 71 Ca 0.78 2.16 0.06 0.00 0.02 0.00 0.00 54.13 57.15 2b9m s LEU 71 Cb -0.05 -4.56 0.19 0.00 0.02 0.00 0.00 46.19 41.79 2b9m s LEU 71 CO 0.14 -2.93 0.59 0.00 0.02 0.00 0.00 176.35 174.16 2b9m n GLN 72 N -4.06 0.44 -2.34 1.70 6.02 -1.24 -4.95 117.38 112.95 2b9m n GLN 72 Ca 0.12 -2.50 -0.01 0.00 -0.01 0.00 0.00 57.00 54.60 2b9m n GLN 72 Cb 0.52 -1.53 0.00 0.00 1.02 0.00 0.00 30.24 30.25 2b9m n GLN 72 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 2b9m n ASN 73 N 2.71 -2.08 -2.03 1.08 5.15 -1.26 -4.15 115.26 114.69 2b9m n ASN 73 Ca 0.22 -0.02 -0.16 0.00 -0.60 0.00 0.00 54.58 54.03 2b9m n ASN 73 Cb 0.53 -0.63 0.01 0.00 -0.53 0.00 0.00 39.78 39.17 2b9m n ASN 73 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2b9m n GLY 74 N -0.73 -0.20 0.00 8.20 0.00 -1.26 -4.96 105.19 106.24 2b9m n GLY 74 Ca -0.00 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.84 2b9m n GLY 74 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2b9m n THR 75 N -4.10 0.00 -3.72 2.61 5.66 -1.26 -3.04 114.28 110.43 2b9m n THR 75 Ca -0.12 0.00 -0.14 0.00 -3.05 0.00 0.00 64.05 60.74 2b9m n THR 75 Cb 0.60 0.00 -0.14 0.00 -1.55 0.00 0.00 70.33 69.24 2b9m n THR 75 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 175.07 171.39 2b9m s ILE 76 N -1.46 -0.11 0.09 1.09 1.01 -1.26 -3.72 121.20 116.84 2b9m s ILE 76 Ca 0.00 0.22 -0.36 0.00 0.00 0.00 0.00 60.65 60.51 2b9m s ILE 76 Cb 0.00 -0.28 -0.17 0.00 0.01 0.00 0.00 42.46 42.02 2b9m s ILE 76 CO 0.00 0.09 1.56 1.55 0.00 0.00 0.00 174.94 178.14 2b9m h PRO 77 N 7.54 -0.96 -6.15 2.79 0.13 -1.90 -3.37 132.00 130.09 2b9m h PRO 77 Ca -0.35 0.07 -0.65 0.00 -0.87 0.00 0.00 66.00 64.20 2b9m h PRO 77 Cb 1.14 0.22 -0.10 0.00 0.13 0.00 0.00 31.00 32.38 2b9m h PRO 77 CO 0.34 -0.64 -0.61 -3.38 -0.23 0.00 0.00 178.00 173.48 2b9m s HIS 78 N -5.86 3.17 1.01 1.56 -3.43 -1.26 -4.66 115.29 105.82 2b9m s HIS 78 Ca -0.18 0.10 -0.12 0.00 -0.80 0.00 0.00 55.06 54.07 2b9m s HIS 78 Cb 0.04 -1.65 0.20 0.00 -1.43 0.00 0.00 32.58 29.74 2b9m s HIS 78 CO 0.61 0.51 1.08 -1.21 -2.00 0.00 0.00 174.74 173.73 2b9m s GLU 79 N -2.04 0.28 -0.30 -0.38 8.01 -1.26 -4.83 118.70 118.18 2b9m s GLU 79 Ca 0.25 1.08 -0.12 0.00 0.01 0.00 0.00 54.97 56.19 2b9m s GLU 79 Cb -0.12 -1.68 0.14 0.00 -4.31 0.00 0.00 34.13 28.16 2b9m s GLU 79 CO 0.17 -2.98 0.76 0.96 0.01 0.00 0.00 175.26 174.18 2b9m s ILE 80 N -2.64 -0.74 -0.81 -1.63 -5.25 -1.22 -5.03 121.20 103.88 2b9m s ILE 80 Ca 0.67 0.00 -0.00 0.00 -0.99 0.00 0.00 60.65 60.32 2b9m s ILE 80 Cb -0.22 -1.00 0.20 0.00 2.95 0.00 0.00 42.46 44.38 2b9m s ILE 80 CO 0.60 0.00 0.66 -1.83 -1.79 0.00 0.00 174.94 172.58 2b9m s GLU 81 N 2.61 2.96 -0.27 0.37 4.04 -1.24 -2.43 118.70 124.75 2b9m s GLU 81 Ca -0.05 -3.18 -0.24 0.00 0.04 0.00 0.00 54.97 51.53 2b9m s GLU 81 Cb -0.09 -3.79 -0.00 0.00 0.02 0.00 0.00 34.13 30.26 2b9m s GLU 81 CO -0.18 -1.25 0.79 0.08 -1.84 0.00 0.00 175.26 172.85 2b9m s VAL 82 N -1.18 4.84 -0.10 1.83 1.01 -0.48 -4.67 120.40 121.64 2b9m s VAL 82 Ca 0.25 1.38 -0.30 0.00 0.00 0.00 0.00 61.98 63.32 2b9m s VAL 82 Cb -0.09 -4.11 -0.03 0.00 0.00 0.00 0.00 36.38 32.15 2b9m s VAL 82 CO -0.12 -0.13 1.36 -1.61 0.00 0.00 0.00 175.10 174.60 2b9m s GLU 83 N 2.85 4.24 -0.40 2.72 2.02 -1.26 -2.76 118.70 126.10 2b9m s GLU 83 Ca 0.33 1.82 0.05 0.00 0.02 0.00 0.00 54.97 57.19 2b9m s GLU 83 Cb -0.15 -3.76 0.61 0.00 0.10 0.00 0.00 34.13 30.93 2b9m s GLU 83 CO 0.09 -0.69 1.76 0.34 0.02 0.00 0.00 175.26 176.79 2b9m n PHE 84 N 6.37 2.41 0.00 1.61 7.35 -0.23 -4.99 117.46 129.98 2b9m n PHE 84 Ca 0.14 -1.82 0.00 0.00 -0.76 0.00 0.00 57.45 55.01 2b9m n PHE 84 Cb 0.44 -0.81 0.00 0.00 0.35 0.00 0.00 39.48 39.46 2b9m n PHE 84 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2b9m n GLY 85 N -1.13 1.40 0.16 7.13 0.00 -1.26 -3.84 105.19 107.66 2b9m n GLY 85 Ca 0.51 0.04 0.04 0.00 0.00 0.00 0.00 46.02 46.62 2b9m n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2b9m h ALA 86 N -0.06 0.75 -3.14 4.61 0.00 -1.94 -3.45 119.26 116.03 2b9m h ALA 86 Ca 0.00 -0.37 -0.34 0.00 0.00 0.00 0.00 54.91 54.20 2b9m h ALA 86 Cb 0.00 -0.06 -0.38 0.00 0.00 0.00 0.00 17.79 17.35 2b9m h ALA 86 CO 0.00 0.51 -0.69 -1.12 0.00 0.00 0.00 179.25 177.95 2b9m s SER 87 N -6.40 1.11 0.28 0.00 0.01 -1.25 -2.77 113.70 104.67 2b9m s SER 87 Ca 0.04 0.10 -0.12 0.00 1.31 0.00 0.00 55.95 57.28 2b9m s SER 87 Cb 0.07 0.06 -0.08 0.00 0.21 0.00 0.00 66.02 66.29 2b9m s SER 87 CO 0.73 -0.26 0.65 -0.75 0.41 0.00 0.00 173.24 174.01 2b9m s LYS 88 N 2.23 3.90 -0.08 12.44 2.20 -1.21 -1.06 119.74 138.15 2b9m s LYS 88 Ca 0.04 0.47 -0.03 0.00 -0.36 0.00 0.00 55.97 56.09 2b9m s LYS 88 Cb -0.13 -2.53 0.05 0.00 -1.51 0.00 0.00 37.83 33.71 2b9m s LYS 88 CO -0.05 0.23 0.16 -1.50 -0.36 0.00 0.00 175.35 173.83 2b9m s ILE 89 N -1.92 -0.23 0.23 5.43 -1.16 -1.11 -4.11 121.20 118.33 2b9m s ILE 89 Ca 0.51 0.32 -0.06 0.00 -0.51 0.00 0.00 60.65 60.91 2b9m s ILE 89 Cb -0.11 -0.29 -0.06 0.00 0.61 0.00 0.00 42.46 42.61 2b9m s ILE 89 CO 0.20 0.13 0.49 -0.69 -2.81 0.00 0.00 174.94 172.26 2b9m s VAL 90 N 2.07 5.06 -0.51 4.00 1.01 -1.11 -1.38 120.40 129.53 2b9m s VAL 90 Ca 0.00 0.11 0.07 0.00 0.00 0.00 0.00 61.98 62.16 2b9m s VAL 90 Cb -0.12 -3.67 0.19 0.00 0.00 0.00 0.00 36.38 32.78 2b9m s VAL 90 CO -0.06 -0.15 0.72 -0.11 0.00 0.00 0.00 175.10 175.50 2b9m n LEU 91 N -0.44 -3.19 -4.75 3.92 0.00 -1.02 -3.56 117.00 107.96 2b9m n LEU 91 Ca -0.02 -3.07 -0.40 0.00 0.00 0.00 0.00 56.01 52.53 2b9m n LEU 91 Cb 0.53 0.75 -0.06 0.00 0.00 0.00 0.00 43.42 44.65 2b9m n LEU 91 CO 0.47 1.94 0.67 -0.75 0.00 0.00 0.00 177.39 179.72 2b9m s LYS 92 N 0.78 4.83 0.38 1.96 2.20 -0.46 -3.44 119.74 125.99 2b9m s LYS 92 Ca 0.30 1.52 -0.28 0.00 -0.36 0.00 0.00 55.97 57.16 2b9m s LYS 92 Cb 0.03 -3.28 -0.10 0.00 -1.51 0.00 0.00 37.83 32.97 2b9m s LYS 92 CO -0.08 0.47 1.45 -1.25 -0.36 0.00 0.00 175.35 175.58 2b9m s PRO 93 N -1.14 4.09 0.21 4.03 0.04 -1.26 -1.96 135.00 139.01 2b9m s PRO 93 Ca 0.42 2.49 0.04 0.00 0.04 0.00 0.00 61.00 63.99 2b9m s PRO 93 Cb -0.27 -2.94 -0.01 0.00 0.04 0.00 0.00 34.50 31.32 2b9m s PRO 93 CO 0.33 -0.52 0.14 0.00 0.04 0.00 0.00 177.00 176.99 2b9m n ALA 94 N 0.41 0.39 -0.88 8.56 0.00 -1.19 -4.75 120.51 123.06 2b9m n ALA 94 Ca 0.01 -1.16 0.00 0.00 0.00 0.00 0.00 53.44 52.29 2b9m n ALA 94 Cb 0.40 0.88 0.00 0.00 0.00 0.00 0.00 19.45 20.73 2b9m n ALA 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2b9m n ALA 95 N -1.74 1.09 -1.88 0.00 0.00 -1.21 -4.70 120.51 112.07 2b9m n ALA 95 Ca -0.08 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.10 2b9m n ALA 95 Cb 0.35 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.75 2b9m n ALA 95 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 2b9m s PRO 96 N -0.12 2.27 -1.53 0.00 0.02 -1.26 -3.95 135.00 130.43 2b9m s PRO 96 Ca 0.00 0.22 -0.09 0.00 0.02 0.00 0.00 61.00 61.15 2b9m s PRO 96 Cb 0.00 -4.83 0.07 0.00 0.02 0.00 0.00 34.50 29.76 2b9m s PRO 96 CO 0.00 -3.54 0.66 0.41 -0.33 0.00 0.00 177.00 174.19 2b9m n GLY 97 N 6.57 -0.35 0.09 0.52 0.00 -1.26 -4.92 105.19 105.85 2b9m n GLY 97 Ca 0.38 0.15 -0.12 0.00 0.00 0.00 0.00 46.02 46.43 2b9m n GLY 97 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2b9m h THR 98 N -1.77 1.19 0.00 2.61 2.02 -1.76 -3.51 112.91 111.71 2b9m h THR 98 Ca -0.61 -1.28 0.00 0.00 0.77 0.00 0.00 66.41 65.29 2b9m h THR 98 Cb 1.38 1.98 0.00 0.00 -1.74 0.00 0.00 68.15 69.77 2b9m h THR 98 CO 0.68 0.30 0.00 0.61 0.37 0.00 0.00 175.52 177.48 2b9m n GLY 99 N 0.55 2.69 3.57 2.16 0.00 -0.95 -4.88 105.19 108.33 2b9m n GLY 99 Ca -0.08 -1.94 -0.43 0.00 0.00 0.00 0.00 46.02 43.58 2b9m n GLY 99 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2b9m s VAL 100 N -3.00 4.11 -1.09 1.61 1.01 -1.26 -3.13 120.40 118.65 2b9m s VAL 100 Ca 0.00 -1.64 -0.22 0.00 0.00 0.00 0.00 61.98 60.12 2b9m s VAL 100 Cb 0.00 -5.15 0.00 0.00 0.00 0.00 0.00 36.38 31.23 2b9m s VAL 100 CO 0.00 -1.98 1.75 -0.63 0.00 0.00 0.00 175.10 174.24 2b9m s ILE 101 N 4.31 3.77 0.18 2.22 -1.09 -1.07 -4.83 121.20 124.70 2b9m s ILE 101 Ca 0.51 -0.98 -0.23 0.00 -2.23 0.00 0.00 60.65 57.73 2b9m s ILE 101 Cb 0.03 -4.72 0.06 0.00 -1.58 0.00 0.00 42.46 36.24 2b9m s ILE 101 CO 0.03 -1.50 0.63 0.00 -1.23 0.00 0.00 174.94 172.86 2b9m s ALA 102 N 7.41 -1.52 1.00 9.38 0.00 -1.26 -0.86 121.76 135.91 2b9m s ALA 102 Ca 0.59 0.32 0.00 0.00 0.00 0.00 0.00 51.96 52.87 2b9m s ALA 102 Cb -0.01 0.88 0.00 0.00 0.00 0.00 0.00 23.12 23.99 2b9m s ALA 102 CO 0.02 -0.83 0.00 0.41 0.00 0.00 0.00 175.76 175.36 2b9m n GLY 103 N -0.40 -2.08 0.25 0.00 0.00 -1.26 -4.71 105.19 97.00 2b9m n GLY 103 Ca -0.14 -1.40 0.15 0.00 0.00 0.00 0.00 46.02 44.62 2b9m n GLY 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2b9m h ALA 104 N -2.00 1.00 0.00 4.61 0.00 -1.99 -3.01 119.26 117.86 2b9m h ALA 104 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2b9m h ALA 104 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2b9m h ALA 104 CO 0.00 0.04 -0.43 0.28 0.00 0.00 0.00 179.25 179.14 2b9m n VAL 105 N -3.12 1.18 0.68 0.00 0.31 -1.26 -3.02 118.33 113.10 2b9m n VAL 105 Ca 0.02 0.26 0.00 0.00 -0.01 0.00 0.00 64.34 64.61 2b9m n VAL 105 Cb 0.39 -2.25 0.00 0.00 -0.91 0.00 0.00 33.84 31.08 2b9m n VAL 105 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 2b9m n PRO 106 N -4.22 0.68 -0.02 5.55 -0.02 -1.26 -2.02 135.00 133.69 2b9m n PRO 106 Ca -0.06 0.00 -0.03 0.00 -2.02 0.00 0.00 63.50 61.39 2b9m n PRO 106 Cb 0.22 -1.24 -0.02 0.00 -0.02 0.00 0.00 33.50 32.45 2b9m n PRO 106 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 2b9m n ARG 107 N 0.45 0.08 0.25 -0.52 0.63 -1.14 -3.93 116.66 112.49 2b9m n ARG 107 Ca 0.00 0.02 0.10 0.00 -0.92 0.00 0.00 57.85 57.05 2b9m n ARG 107 Cb 0.27 -1.03 0.67 0.00 0.45 0.00 0.00 32.46 32.82 2b9m n ARG 107 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2b9m h ALA 108 N -0.01 1.50 0.13 5.13 0.00 -1.37 0.13 119.26 124.76 2b9m h ALA 108 Ca -0.08 -0.11 -0.27 0.00 0.00 0.00 0.00 54.91 54.46 2b9m h ALA 108 Cb 1.11 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.89 2b9m h ALA 108 CO -0.02 0.15 -1.33 0.82 0.00 0.00 0.00 179.25 178.88 2b9m h ILE 109 N 0.00 1.12 -0.03 0.00 1.08 -1.67 -3.36 117.51 114.64 2b9m h ILE 109 Ca -0.00 -2.44 -0.22 0.00 -0.39 0.00 0.00 64.86 61.81 2b9m h ILE 109 Cb 0.26 2.81 0.02 0.00 -3.07 0.00 0.00 36.82 36.84 2b9m h ILE 109 CO 0.02 0.71 -0.84 -0.07 -0.69 0.00 0.00 178.15 177.28 2b9m h LEU 110 N -0.29 0.79 0.18 1.44 3.38 -1.60 -2.12 115.31 117.09 2b9m h LEU 110 Ca -0.28 -0.72 -0.01 0.00 0.09 0.00 0.00 57.88 56.96 2b9m h LEU 110 Cb 1.77 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 42.28 2b9m h LEU 110 CO 0.09 1.40 -0.09 -0.33 0.09 0.00 0.00 178.44 179.60 2b9m h GLU 111 N 0.26 -0.23 0.00 1.13 5.08 -0.89 -2.40 114.58 117.52 2b9m h GLU 111 Ca -0.10 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 2b9m h GLU 111 Cb 1.51 0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.81 2b9m h GLU 111 CO 0.17 -0.07 0.00 1.28 -1.00 0.00 0.00 179.01 179.39 2b9m n LEU 112 N -5.15 0.08 0.08 1.33 7.99 -1.25 -2.53 117.00 117.55 2b9m n LEU 112 Ca -0.09 0.51 -0.08 0.00 -0.01 0.00 0.00 56.01 56.35 2b9m n LEU 112 Cb 0.16 -0.49 0.03 0.00 -0.11 0.00 0.00 43.42 43.01 2b9m n LEU 112 CO 0.34 -0.12 0.33 0.00 -1.51 0.00 0.00 177.39 176.42 2b9m h ALA 113 N 2.77 0.62 0.00 -1.18 0.00 -1.30 -2.91 119.26 117.25 2b9m h ALA 113 Ca 0.00 -0.66 0.00 0.00 0.00 0.00 0.00 54.91 54.25 2b9m h ALA 113 Cb 0.42 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.14 2b9m h ALA 113 CO 0.00 0.84 0.00 0.41 0.00 0.00 0.00 179.25 180.50 2b9m n GLY 114 N 0.67 1.87 3.54 0.00 0.00 -1.05 0.18 105.19 110.40 2b9m n GLY 114 Ca -0.03 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.72 2b9m n GLY 114 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2b9m s VAL 115 N -2.00 3.00 0.00 1.61 -7.23 -0.91 -4.72 120.40 110.15 2b9m s VAL 115 Ca 0.00 -1.78 0.04 0.00 -1.81 0.00 0.00 61.98 58.43 2b9m s VAL 115 Cb 0.00 -2.49 0.06 0.00 0.56 0.00 0.00 36.38 34.51 2b9m s VAL 115 CO 0.00 -0.14 0.84 1.07 -0.31 0.00 0.00 175.10 176.56 2b9m n THR 116 N 0.01 0.00 -2.69 5.32 5.66 -1.17 -4.02 114.28 117.39 2b9m n THR 116 Ca -0.11 -0.14 -0.07 0.00 -3.05 0.00 0.00 64.05 60.68 2b9m n THR 116 Cb 0.56 0.39 0.07 0.00 -1.55 0.00 0.00 70.33 69.79 2b9m n THR 116 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 2b9m n ASP 117 N 0.07 0.27 -4.12 1.09 8.00 -1.18 -2.25 116.55 118.43 2b9m n ASP 117 Ca -0.09 -2.54 -0.13 0.00 0.71 0.00 0.00 54.79 52.75 2b9m n ASP 117 Cb 0.69 0.02 -0.11 0.00 -0.02 0.00 0.00 41.12 41.70 2b9m n ASP 117 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2b9m s ILE 118 N -2.00 0.71 -0.15 0.53 1.01 -1.18 -3.18 121.20 116.94 2b9m s ILE 118 Ca 0.24 -1.43 -0.04 0.00 0.00 0.00 0.00 60.65 59.42 2b9m s ILE 118 Cb 0.43 -1.07 -0.03 0.00 0.01 0.00 0.00 42.46 41.80 2b9m s ILE 118 CO -0.02 -0.53 -0.00 -0.76 0.00 0.00 0.00 174.94 173.63 2b9m s LEU 119 N -2.14 3.48 -0.11 2.97 1.43 -0.83 -2.58 118.68 120.91 2b9m s LEU 119 Ca -0.01 -0.01 -0.04 0.00 -1.03 0.00 0.00 54.13 53.04 2b9m s LEU 119 Cb -0.05 -1.84 0.05 0.00 0.03 0.00 0.00 46.19 44.39 2b9m s LEU 119 CO -0.01 0.22 0.23 -0.89 0.23 0.00 0.00 176.35 176.13 2b9m s THR 120 N 0.06 -0.25 0.33 5.49 2.01 -0.04 -1.36 115.64 121.88 2b9m s THR 120 Ca 0.02 0.25 0.10 0.00 0.31 0.00 0.00 61.69 62.37 2b9m s THR 120 Cb -0.13 -0.38 -0.06 0.00 0.01 0.00 0.00 72.50 71.95 2b9m s THR 120 CO 0.02 0.11 -0.09 -0.75 -0.69 0.00 0.00 174.62 173.21 2b9m s LYS 121 N 1.97 1.86 -0.28 4.92 2.47 -1.23 -4.16 119.74 125.27 2b9m s LYS 121 Ca -0.02 -1.85 0.01 0.00 -1.56 0.00 0.00 55.97 52.54 2b9m s LYS 121 Cb -0.12 -1.77 0.08 0.00 -1.46 0.00 0.00 37.83 34.56 2b9m s LYS 121 CO -0.08 0.18 0.03 -1.21 0.16 0.00 0.00 175.35 174.44 2b9m s GLU 122 N -3.61 1.17 0.27 4.03 2.02 -1.26 -2.76 118.70 118.56 2b9m s GLU 122 Ca 0.32 -1.17 0.02 0.00 0.02 0.00 0.00 54.97 54.16 2b9m s GLU 122 Cb 0.00 -2.47 -0.03 0.00 0.10 0.00 0.00 34.13 31.73 2b9m s GLU 122 CO 0.17 -0.82 0.44 -0.51 0.02 0.00 0.00 175.26 174.55 2b9m s LEU 123 N 1.40 4.18 0.00 1.80 2.01 -1.26 -4.89 118.68 121.92 2b9m s LEU 123 Ca 0.04 0.31 0.00 0.00 0.01 0.00 0.00 54.13 54.49 2b9m s LEU 123 Cb -0.18 -3.12 0.00 0.00 0.01 0.00 0.00 46.19 42.90 2b9m s LEU 123 CO -0.14 -0.14 0.00 0.61 1.01 0.00 0.00 176.35 177.69 2b9m n GLY 124 N -1.31 -2.12 3.56 -3.19 0.00 -1.26 -3.30 105.19 97.57 2b9m n GLY 124 Ca -0.06 -1.44 -0.39 0.00 0.00 0.00 0.00 46.02 44.13 2b9m n GLY 124 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2b9m n SER 125 N -0.91 2.47 -2.02 1.61 2.88 -1.12 -4.80 113.62 111.73 2b9m n SER 125 Ca 0.00 -0.23 -0.07 0.00 -1.33 0.00 0.00 58.87 57.24 2b9m n SER 125 Cb 0.07 -1.53 -0.10 0.00 -0.75 0.00 0.00 64.21 61.90 2b9m n SER 125 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2b9m n ARG 126 N 8.87 1.32 -2.33 -1.46 1.74 -1.26 -4.39 116.66 119.15 2b9m n ARG 126 Ca 0.37 -0.58 -0.42 0.00 -0.77 0.00 0.00 57.85 56.44 2b9m n ARG 126 Cb 0.48 -1.71 -0.03 0.00 -1.02 0.00 0.00 32.46 30.18 2b9m n ARG 126 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 2b9m s ASN 127 N 2.20 6.95 0.33 0.55 3.84 -1.26 -4.92 114.94 122.64 2b9m s ASN 127 Ca 0.39 2.01 0.11 0.00 0.21 0.00 0.00 52.86 55.59 2b9m s ASN 127 Cb 0.19 -2.56 1.01 0.00 -0.55 0.00 0.00 41.25 39.33 2b9m s ASN 127 CO 0.00 -0.63 1.63 1.55 -2.79 0.00 0.00 177.10 176.86 2b9m h PRO 128 N 7.47 0.18 0.09 0.43 0.13 -1.98 0.22 132.00 138.54 2b9m h PRO 128 Ca -0.38 -0.01 -0.31 0.00 -0.87 0.00 0.00 66.00 64.43 2b9m h PRO 128 Cb 1.18 -0.04 -0.02 0.00 0.13 0.00 0.00 31.00 32.25 2b9m h PRO 128 CO 0.88 0.12 -1.68 0.82 -0.23 0.00 0.00 178.00 177.90 2b9m h ILE 129 N 0.18 0.79 -0.28 -3.56 2.04 -1.98 -2.62 117.51 112.08 2b9m h ILE 129 Ca 0.70 -2.31 -0.01 0.00 1.00 0.00 0.00 64.86 64.23 2b9m h ILE 129 Cb 1.60 2.48 -0.01 0.00 -0.74 0.00 0.00 36.82 40.15 2b9m h ILE 129 CO -0.70 0.70 0.11 0.78 0.00 0.00 0.00 178.15 179.05 2b9m h ASN 130 N -0.29 0.34 0.47 1.72 2.35 -1.78 -1.34 115.58 117.06 2b9m h ASN 130 Ca -0.38 -0.03 -0.30 0.00 -0.55 0.00 0.00 56.30 55.04 2b9m h ASN 130 Cb 1.79 -0.09 -0.00 0.00 0.05 0.00 0.00 38.32 40.07 2b9m h ASN 130 CO 0.01 0.32 -1.50 0.40 -1.65 0.00 0.00 177.43 175.01 2b9m h ILE 131 N 0.38 1.20 -0.77 2.81 1.08 -0.73 -2.02 117.51 119.46 2b9m h ILE 131 Ca 0.10 -2.82 0.06 0.00 -0.39 0.00 0.00 64.86 61.80 2b9m h ILE 131 Cb 0.08 2.78 -0.05 0.00 -3.07 0.00 0.00 36.82 36.57 2b9m h ILE 131 CO -0.01 0.82 0.51 0.00 -0.69 0.00 0.00 178.15 178.78 2b9m h ALA 132 N 0.50 1.64 0.00 1.87 0.00 -1.27 -2.57 119.26 119.42 2b9m h ALA 132 Ca -0.23 -0.02 -0.22 0.00 0.00 0.00 0.00 54.91 54.44 2b9m h ALA 132 Cb 2.01 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 19.55 2b9m h ALA 132 CO 0.17 0.24 -1.19 1.88 0.00 0.00 0.00 179.25 180.35 2b9m h TYR 133 N 0.84 0.00 0.00 0.00 0.99 -1.31 -3.16 116.97 114.33 2b9m h TYR 133 Ca 0.33 0.00 -0.05 0.00 2.00 0.00 0.00 58.73 61.01 2b9m h TYR 133 Cb 0.23 0.00 -0.01 0.00 1.00 0.00 0.00 36.73 37.95 2b9m h TYR 133 CO -0.00 0.89 -0.26 0.00 -0.00 0.00 0.00 178.16 178.79 2b9m h ALA 134 N 1.11 1.15 0.00 3.88 0.00 -1.09 -2.84 119.26 121.47 2b9m h ALA 134 Ca -0.11 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.57 2b9m h ALA 134 Cb 1.78 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.52 2b9m h ALA 134 CO 0.10 0.32 -0.88 1.15 0.00 0.00 0.00 179.25 179.94 2b9m h THR 135 N 0.00 0.00 -0.13 0.00 2.02 -1.56 -3.19 112.91 110.05 2b9m h THR 135 Ca -0.00 -0.83 -0.13 0.00 0.77 0.00 0.00 66.41 66.22 2b9m h THR 135 Cb 0.64 1.35 0.00 0.00 -1.74 0.00 0.00 68.15 68.41 2b9m h THR 135 CO 0.03 0.00 -0.41 0.24 0.37 0.00 0.00 175.52 175.75 2b9m h MET 136 N 0.00 0.51 0.00 6.66 2.07 -1.47 -2.34 114.93 120.37 2b9m h MET 136 Ca 0.00 -0.37 -0.10 0.00 -2.07 0.00 0.00 59.70 57.15 2b9m h MET 136 Cb 0.92 0.06 -0.01 0.00 -1.87 0.00 0.00 31.60 30.70 2b9m h MET 136 CO 0.00 1.00 -0.49 1.49 1.07 0.00 0.00 176.91 179.98 2b9m h GLU 137 N 0.12 0.00 -0.03 1.72 4.57 -1.69 -2.87 114.58 116.40 2b9m h GLU 137 Ca -0.01 0.00 -0.08 0.00 -1.18 0.00 0.00 59.36 58.09 2b9m h GLU 137 Cb 1.04 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.62 2b9m h GLU 137 CO 0.09 0.49 -0.35 0.00 -1.18 0.00 0.00 179.01 178.06 2b9m h ALA 138 N 1.51 1.37 -0.01 2.92 0.00 -1.53 -1.26 119.26 122.26 2b9m h ALA 138 Ca -0.00 -0.33 -0.24 0.00 0.00 0.00 0.00 54.91 54.33 2b9m h ALA 138 Cb 0.91 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.64 2b9m h ALA 138 CO 0.06 0.47 -0.96 -0.07 0.00 0.00 0.00 179.25 178.75 2b9m h LEU 139 N 0.05 0.68 -0.06 0.00 3.38 -1.30 -3.34 115.31 114.72 2b9m h LEU 139 Ca 0.00 -0.54 -0.01 0.00 0.09 0.00 0.00 57.88 57.43 2b9m h LEU 139 Cb 0.65 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.19 2b9m h LEU 139 CO 0.05 1.33 0.00 0.03 0.09 0.00 0.00 178.44 179.94 2b9m h ARG 140 N 0.30 0.11 -2.44 1.13 3.08 -1.28 -3.29 114.38 111.99 2b9m h ARG 140 Ca -0.09 -0.03 -0.15 0.00 0.07 0.00 0.00 59.98 59.77 2b9m h ARG 140 Cb 1.60 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 31.60 2b9m h ARG 140 CO 0.18 0.37 0.18 1.04 -1.07 0.00 0.00 179.97 180.66 2b9m n GLN 141 N -4.88 1.40 -4.52 0.04 3.00 -0.50 -4.76 117.38 107.17 2b9m n GLN 141 Ca -0.07 -0.73 -0.21 0.00 -0.01 0.00 0.00 57.00 55.98 2b9m n GLN 141 Cb 0.18 -1.89 -0.15 0.00 0.00 0.00 0.00 30.24 28.38 2b9m n GLN 141 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 2b9m s LEU 142 N 0.01 1.97 -0.01 1.08 1.43 -1.24 -4.96 118.68 116.96 2b9m s LEU 142 Ca 0.44 -0.22 -0.02 0.00 -1.03 0.00 0.00 54.13 53.30 2b9m s LEU 142 Cb 0.20 -0.62 0.00 0.00 0.03 0.00 0.00 46.19 45.80 2b9m s LEU 142 CO -0.00 0.13 0.05 -0.13 0.23 0.00 0.00 176.35 176.62 2b9m s ARG 143 N -0.17 0.14 0.34 1.70 1.81 -1.26 -4.94 118.95 116.58 2b9m s ARG 143 Ca 0.03 -0.09 -0.26 0.00 -1.72 0.00 0.00 55.73 53.69 2b9m s ARG 143 Cb -0.06 0.06 -0.09 0.00 -0.45 0.00 0.00 34.95 34.41 2b9m s ARG 143 CO -0.00 -0.02 1.00 0.99 -0.68 0.00 0.00 175.30 176.59 2b9m s THR 144 N -0.36 3.94 0.11 0.02 2.01 -1.26 -4.84 115.64 115.26 2b9m s THR 144 Ca -0.04 1.62 0.03 0.00 0.31 0.00 0.00 61.69 63.61 2b9m s THR 144 Cb -0.03 -3.90 0.03 0.00 0.01 0.00 0.00 72.50 68.62 2b9m s THR 144 CO 0.00 0.14 0.85 1.17 -0.69 0.00 0.00 174.62 176.09 2b9m n LYS 145 N 0.46 0.03 0.07 4.92 4.81 -1.26 0.42 118.16 127.60 2b9m n LYS 145 Ca 0.02 0.40 -0.19 0.00 -0.87 0.00 0.00 58.31 57.67 2b9m n LYS 145 Cb 0.49 -2.13 -0.14 0.00 0.02 0.00 0.00 35.03 33.26 2b9m n LYS 145 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2b9m h ALA 146 N 0.41 0.23 -0.03 3.14 0.00 -1.97 -3.22 119.26 117.81 2b9m h ALA 146 Ca 0.00 -1.12 -0.09 0.00 0.00 0.00 0.00 54.91 53.70 2b9m h ALA 146 Cb 1.08 0.34 -0.01 0.00 0.00 0.00 0.00 17.79 19.20 2b9m h ALA 146 CO 0.00 1.10 -0.41 -0.44 0.00 0.00 0.00 179.25 179.50 2b9m h ASP 147 N 0.08 0.07 0.52 0.00 3.32 0.80 0.48 116.42 121.70 2b9m h ASP 147 Ca -0.28 -0.03 -0.03 0.00 0.02 0.00 0.00 57.03 56.72 2b9m h ASP 147 Cb 2.05 -0.02 0.01 0.00 0.22 0.00 0.00 39.33 41.58 2b9m h ASP 147 CO 0.17 0.48 -0.25 0.58 -1.72 0.00 0.00 179.24 178.50 2b9m h VAL 148 N 0.06 0.43 0.00 -1.35 2.07 -1.49 -2.92 116.25 113.05 2b9m h VAL 148 Ca 0.00 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 67.24 2b9m h VAL 148 Cb 0.76 0.55 0.00 0.00 -1.52 0.00 0.00 31.29 31.07 2b9m h VAL 148 CO 0.06 0.04 0.00 -0.62 0.02 0.00 0.00 177.57 177.07 2b9m n GLU 149 N -5.32 0.10 0.00 1.57 1.02 -1.13 -1.33 120.64 115.56 2b9m n GLU 149 Ca -0.11 0.37 0.08 0.00 -0.02 0.00 0.00 57.16 57.47 2b9m n GLU 149 Cb 0.32 -1.70 0.37 0.00 -0.02 0.00 0.00 31.44 30.40 2b9m n GLU 149 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 2b9m n ARG 150 N -1.90 0.13 -0.02 3.49 0.00 0.17 -1.18 116.66 117.35 2b9m n ARG 150 Ca 0.02 0.18 -0.02 0.00 -0.00 0.00 0.00 57.85 58.04 2b9m n ARG 150 Cb 0.18 -1.50 -0.05 0.00 0.00 0.00 0.00 32.46 31.10 2b9m n ARG 150 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 2b9m n LEU 151 N -1.37 0.00 -0.07 6.15 4.77 -0.44 -4.61 117.00 121.43 2b9m n LEU 151 Ca 0.06 0.00 0.13 0.00 -0.03 0.00 0.00 56.01 56.17 2b9m n LEU 151 Cb 0.15 0.12 0.73 0.00 -2.33 0.00 0.00 43.42 42.09 2b9m n LEU 151 CO 0.13 0.12 0.97 0.54 -1.33 0.00 0.00 177.39 177.82 2b9m n ARG 152 N -2.12 1.09 0.00 3.23 5.12 -0.93 -4.33 116.66 118.72 2b9m n ARG 152 Ca -0.08 -0.13 0.00 0.00 -1.93 0.00 0.00 57.85 55.71 2b9m n ARG 152 Cb 0.59 -1.41 0.00 0.00 -1.16 0.00 0.00 32.46 30.48 2b9m n ARG 152 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 2b9m n LYS 153 N -0.76 0.00 -0.95 5.56 4.76 -0.33 -5.00 118.16 121.44 2b9m n LYS 153 Ca 0.19 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.63 2b9m n LYS 153 Cb 0.12 -0.48 0.00 0.00 -1.84 0.00 0.00 35.03 32.83 2b9m n LYS 153 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44