#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2br2 s ARG 9 N 0.00 3.63 0.27 5.31 0.52 -1.26 -5.06 118.95 122.36 2br2 s ARG 9 Ca 0.00 1.69 -0.20 0.00 -0.52 0.00 0.00 55.73 56.70 2br2 s ARG 9 Cb 0.00 -2.25 -0.09 0.00 0.52 0.00 0.00 34.95 33.13 2br2 s ARG 9 CO 0.00 -0.64 0.77 -1.25 0.02 0.00 0.00 175.30 174.20 2br2 s PRO 10 N -2.92 4.26 0.15 3.54 0.05 -1.26 -5.06 135.00 133.77 2br2 s PRO 10 Ca 0.67 0.92 -0.31 0.00 0.05 0.00 0.00 61.00 62.33 2br2 s PRO 10 Cb -0.26 -2.76 -0.08 0.00 0.05 0.00 0.00 34.50 31.45 2br2 s PRO 10 CO 0.31 0.31 1.38 0.21 0.05 0.00 0.00 177.00 179.27 2br2 s LYS 11 N -2.22 4.33 -0.18 4.56 2.20 -1.26 -4.94 119.74 122.23 2br2 s LYS 11 Ca 0.47 2.10 0.03 0.00 -0.36 0.00 0.00 55.97 58.21 2br2 s LYS 11 Cb -0.15 -3.22 -0.22 0.00 -1.51 0.00 0.00 37.83 32.73 2br2 s LYS 11 CO 0.20 -0.40 0.13 1.28 -0.36 0.00 0.00 175.35 176.21 2br2 n LEU 12 N 3.47 2.14 -4.32 5.43 4.77 -1.26 -4.71 117.00 122.51 2br2 n LEU 12 Ca 0.10 0.07 -0.37 0.00 -0.03 0.00 0.00 56.01 55.78 2br2 n LEU 12 Cb 0.42 -0.62 -0.13 0.00 -2.33 0.00 0.00 43.42 40.76 2br2 n LEU 12 CO 0.59 0.77 -0.30 -0.63 -1.33 0.00 0.00 177.39 176.49 2br2 s ILE 13 N -2.54 3.77 0.76 -0.08 1.09 -1.26 -3.70 121.20 119.25 2br2 s ILE 13 Ca -0.23 -0.72 -0.11 0.00 -1.10 0.00 0.00 60.65 58.49 2br2 s ILE 13 Cb 0.08 -2.93 0.05 0.00 -1.06 0.00 0.00 42.46 38.60 2br2 s ILE 13 CO 0.72 0.12 1.08 -0.76 -0.10 0.00 0.00 174.94 176.00 2br2 s LEU 14 N 1.47 2.83 0.00 2.97 1.43 -0.57 -4.90 118.68 121.92 2br2 s LEU 14 Ca 0.02 1.52 0.00 0.00 -1.03 0.00 0.00 54.13 54.64 2br2 s LEU 14 Cb -0.17 -4.23 0.00 0.00 0.03 0.00 0.00 46.19 41.82 2br2 s LEU 14 CO 0.01 -1.84 0.56 -0.90 0.23 0.00 0.00 176.35 174.41 2br2 n ASP 15 N -3.37 0.22 -0.79 2.29 5.75 -1.26 -0.86 116.55 118.52 2br2 n ASP 15 Ca 0.07 -1.35 0.07 0.00 -0.01 0.00 0.00 54.79 53.58 2br2 n ASP 15 Cb 0.55 -0.11 0.20 0.00 -1.03 0.00 0.00 41.12 40.73 2br2 n ASP 15 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 2br2 n ASP 16 N -0.28 3.35 0.00 -1.12 5.75 -1.26 -4.98 116.55 118.00 2br2 n ASP 16 Ca 0.00 -2.31 0.00 0.00 -0.01 0.00 0.00 54.79 52.47 2br2 n ASP 16 Cb 0.06 -0.35 0.00 0.00 -1.03 0.00 0.00 41.12 39.80 2br2 n ASP 16 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2br2 n GLY 17 N 0.30 0.50 3.64 6.12 0.00 -0.04 -5.04 105.19 110.68 2br2 n GLY 17 Ca 0.16 -0.07 -0.29 0.00 0.00 0.00 0.00 46.02 45.82 2br2 n GLY 17 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2br2 s LYS 18 N -0.15 2.36 0.95 1.61 1.02 -1.25 -4.53 119.74 119.75 2br2 s LYS 18 Ca 0.00 -1.00 -0.15 0.00 0.02 0.00 0.00 55.97 54.83 2br2 s LYS 18 Cb 0.00 -2.40 0.20 0.00 -0.52 0.00 0.00 37.83 35.11 2br2 s LYS 18 CO 0.00 0.50 1.31 1.03 -0.92 0.00 0.00 175.35 177.27 2br2 s ARG 19 N -2.53 0.69 0.49 1.68 0.52 0.45 -1.51 118.95 118.75 2br2 s ARG 19 Ca 0.25 -0.43 0.22 0.00 -0.52 0.00 0.00 55.73 55.25 2br2 s ARG 19 Cb -0.11 -1.86 1.28 0.00 0.52 0.00 0.00 34.95 34.78 2br2 s ARG 19 CO 0.17 -2.37 2.05 1.79 0.02 0.00 0.00 175.30 176.96 2br2 h THR 20 N -1.60 0.82 -0.22 0.02 1.35 -1.88 -1.16 112.91 110.24 2br2 h THR 20 Ca -0.44 -0.53 0.00 0.00 -0.55 0.00 0.00 66.41 64.89 2br2 h THR 20 Cb 1.24 1.31 0.00 0.00 -1.73 0.00 0.00 68.15 68.97 2br2 h THR 20 CO 0.38 0.14 0.00 -0.90 -0.25 0.00 0.00 175.52 174.89 2br2 n ASP 21 N -3.96 2.59 0.00 5.36 3.85 -1.26 -4.94 116.55 118.19 2br2 n ASP 21 Ca -0.02 -1.85 0.00 0.00 -0.71 0.00 0.00 54.79 52.21 2br2 n ASP 21 Cb 0.23 -0.14 0.00 0.00 -1.35 0.00 0.00 41.12 39.86 2br2 n ASP 21 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2br2 n GLY 22 N 1.32 0.66 3.81 6.12 0.00 -0.44 -5.06 105.19 111.60 2br2 n GLY 22 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 2br2 n GLY 22 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2br2 s ARG 23 N -0.74 3.85 0.59 1.61 0.52 -1.26 -4.62 118.95 118.90 2br2 s ARG 23 Ca 0.00 1.22 -0.13 0.00 -0.52 0.00 0.00 55.73 56.29 2br2 s ARG 23 Cb 0.00 -2.11 -0.05 0.00 0.52 0.00 0.00 34.95 33.31 2br2 s ARG 23 CO 0.00 -0.37 1.02 0.15 0.02 0.00 0.00 175.30 176.12 2br2 s LYS 24 N -3.48 3.65 0.56 3.54 1.02 -1.26 -0.41 119.74 123.36 2br2 s LYS 24 Ca 0.64 0.87 0.30 0.00 0.02 0.00 0.00 55.97 57.80 2br2 s LYS 24 Cb -0.13 -2.09 1.46 0.00 -0.52 0.00 0.00 37.83 36.55 2br2 s LYS 24 CO 0.23 -0.52 1.89 -1.35 -0.92 0.00 0.00 175.35 174.68 2br2 h PRO 25 N 0.14 0.00 -0.69 -1.68 0.11 -1.89 -1.57 132.00 126.42 2br2 h PRO 25 Ca -0.45 0.00 -0.27 0.00 0.11 0.00 0.00 66.00 65.39 2br2 h PRO 25 Cb 1.19 0.00 -0.16 0.00 0.11 0.00 0.00 31.00 32.14 2br2 h PRO 25 CO 0.61 0.00 0.29 -0.40 -0.21 0.00 0.00 178.00 178.29 2br2 n ASP 26 N -4.03 3.99 -4.46 -2.05 5.75 -1.26 -0.67 116.55 113.82 2br2 n ASP 26 Ca 0.14 -3.42 -0.33 0.00 -0.01 0.00 0.00 54.79 51.16 2br2 n ASP 26 Cb 0.82 -0.73 -0.13 0.00 -1.03 0.00 0.00 41.12 40.05 2br2 n ASP 26 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 2br2 s GLU 27 N -3.12 3.50 0.49 0.11 2.02 -0.59 -0.64 118.70 120.48 2br2 s GLU 27 Ca 0.52 -0.58 -0.19 0.00 0.02 0.00 0.00 54.97 54.74 2br2 s GLU 27 Cb 0.44 -2.79 -0.08 0.00 0.10 0.00 0.00 34.13 31.79 2br2 s GLU 27 CO 0.10 0.27 1.01 -0.51 0.02 0.00 0.00 175.26 176.14 2br2 s LEU 28 N 0.26 3.78 1.01 1.80 1.43 -1.11 -4.75 118.68 121.10 2br2 s LEU 28 Ca -0.05 1.80 -0.12 0.00 -1.03 0.00 0.00 54.13 54.72 2br2 s LEU 28 Cb -0.15 -4.54 0.19 0.00 0.03 0.00 0.00 46.19 41.73 2br2 s LEU 28 CO 0.04 -0.71 1.09 -0.13 0.23 0.00 0.00 176.35 176.87 2br2 s ARG 29 N -3.48 0.36 0.56 1.70 0.52 -1.26 -3.50 118.95 113.84 2br2 s ARG 29 Ca 0.64 0.52 -0.20 0.00 -0.52 0.00 0.00 55.73 56.17 2br2 s ARG 29 Cb -0.13 -1.73 -0.04 0.00 0.52 0.00 0.00 34.95 33.56 2br2 s ARG 29 CO 0.23 -2.78 1.23 -1.54 0.02 0.00 0.00 175.30 172.45 2br2 s SER 30 N -3.43 5.38 -0.02 0.23 1.04 -1.26 -4.54 113.70 111.10 2br2 s SER 30 Ca 0.65 2.44 0.07 0.00 0.48 0.00 0.00 55.95 59.60 2br2 s SER 30 Cb -0.19 -2.61 -0.02 0.00 0.10 0.00 0.00 66.02 63.31 2br2 s SER 30 CO 0.58 -1.47 -0.24 -0.63 0.98 0.00 0.00 173.24 172.46 2br2 s ILE 31 N -1.53 1.86 -0.02 -1.02 1.01 0.12 -0.39 121.20 121.23 2br2 s ILE 31 Ca 0.74 -1.01 0.00 0.00 0.00 0.00 0.00 60.65 60.39 2br2 s ILE 31 Cb -0.32 -1.54 0.03 0.00 0.01 0.00 0.00 42.46 40.63 2br2 s ILE 31 CO 0.36 0.53 0.01 -0.75 0.00 0.00 0.00 174.94 175.08 2br2 s LYS 32 N -0.54 0.20 -0.04 2.79 2.20 -0.55 -0.76 119.74 123.04 2br2 s LYS 32 Ca 0.09 0.09 0.02 0.00 -0.36 0.00 0.00 55.97 55.80 2br2 s LYS 32 Cb -0.09 -0.39 0.02 0.00 -1.51 0.00 0.00 37.83 35.85 2br2 s LYS 32 CO -0.01 -0.13 -0.06 0.42 -0.36 0.00 0.00 175.35 175.21 2br2 s ILE 33 N 0.94 0.62 0.01 5.43 1.01 0.09 -0.34 121.20 128.96 2br2 s ILE 33 Ca -0.09 -0.21 -0.00 0.00 0.00 0.00 0.00 60.65 60.35 2br2 s ILE 33 Cb -0.12 -0.60 -0.01 0.00 0.01 0.00 0.00 42.46 41.73 2br2 s ILE 33 CO -0.02 0.23 -0.01 -1.83 0.00 0.00 0.00 174.94 173.31 2br2 s GLU 34 N 0.64 0.24 0.23 2.79 -1.05 -0.55 -0.52 118.70 120.48 2br2 s GLU 34 Ca -0.09 -0.45 0.09 0.00 -0.15 0.00 0.00 54.97 54.37 2br2 s GLU 34 Cb -0.12 0.09 -0.04 0.00 -0.44 0.00 0.00 34.13 33.61 2br2 s GLU 34 CO 0.01 -0.04 -0.05 -0.51 0.95 0.00 0.00 175.26 175.62 2br2 s LEU 35 N -1.10 3.10 -1.10 1.83 1.02 -0.44 -0.42 118.68 121.58 2br2 s LEU 35 Ca -0.12 -0.62 -0.05 0.00 0.02 0.00 0.00 54.13 53.36 2br2 s LEU 35 Cb -0.07 -1.68 0.01 0.00 0.02 0.00 0.00 46.19 44.46 2br2 s LEU 35 CO -0.01 0.05 0.71 0.61 0.02 0.00 0.00 176.35 177.73 2br2 n GLY 36 N -0.49 -0.20 0.11 -3.19 0.00 0.50 -4.90 105.19 97.02 2br2 n GLY 36 Ca -0.08 -0.02 0.12 0.00 0.00 0.00 0.00 46.02 46.04 2br2 n GLY 36 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2br2 h VAL 37 N -1.62 0.00 -3.35 1.61 3.04 -1.85 -3.44 116.25 110.63 2br2 h VAL 37 Ca -0.42 -0.74 -0.65 0.00 -1.01 0.00 0.00 66.70 63.88 2br2 h VAL 37 Cb 1.28 1.42 -0.25 0.00 -2.01 0.00 0.00 31.29 31.73 2br2 h VAL 37 CO 0.43 0.00 -0.70 -0.76 -1.01 0.00 0.00 177.57 175.52 2br2 s LEU 38 N -4.97 3.04 0.05 3.16 1.43 -1.26 -5.03 118.68 115.10 2br2 s LEU 38 Ca 0.05 -0.25 -0.17 0.00 -1.03 0.00 0.00 54.13 52.73 2br2 s LEU 38 Cb 0.11 -1.74 -0.17 0.00 0.03 0.00 0.00 46.19 44.42 2br2 s LEU 38 CO 0.72 0.11 1.25 0.11 0.23 0.00 0.00 176.35 178.77 2br2 h LYS 39 N 7.17 0.56 -0.60 1.70 6.56 -2.01 -3.30 116.57 126.65 2br2 h LYS 39 Ca -0.33 -0.44 0.00 0.00 -1.06 0.00 0.00 60.65 58.82 2br2 h LYS 39 Cb 1.19 0.09 0.00 0.00 -0.57 0.00 0.00 32.23 32.93 2br2 h LYS 39 CO 0.60 1.07 0.00 0.09 -2.06 0.00 0.00 179.45 179.15 2br2 n ASN 40 N -4.21 2.78 -4.65 0.86 3.02 -1.26 -4.86 115.26 106.95 2br2 n ASN 40 Ca -0.08 -2.26 -0.23 0.00 -0.03 0.00 0.00 54.58 51.98 2br2 n ASN 40 Cb 0.60 -0.44 -0.07 0.00 -0.61 0.00 0.00 39.78 39.26 2br2 n ASN 40 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2br2 s ALA 41 N -1.71 3.19 0.06 5.41 0.00 -1.25 -5.04 121.76 122.42 2br2 s ALA 41 Ca 0.27 -1.71 0.11 0.00 0.00 0.00 0.00 51.96 50.62 2br2 s ALA 41 Cb 0.18 -0.71 -0.01 0.00 0.00 0.00 0.00 23.12 22.58 2br2 s ALA 41 CO 0.12 0.22 1.40 -0.44 0.00 0.00 0.00 175.76 177.06 2br2 h ASP 42 N 1.86 0.00 -4.80 0.00 3.32 -1.24 -3.46 116.42 112.10 2br2 h ASP 42 Ca -0.44 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.53 2br2 h ASP 42 Cb 1.25 0.00 -0.20 0.00 0.22 0.00 0.00 39.33 40.60 2br2 h ASP 42 CO 0.61 0.77 0.02 -0.83 -1.72 0.00 0.00 179.24 178.10 2br2 s GLY 43 N -4.59 -0.44 -0.01 2.75 0.00 -1.02 -3.89 107.32 100.12 2br2 s GLY 43 Ca 0.02 1.12 -0.23 0.00 0.00 0.00 0.00 44.72 45.62 2br2 s GLY 43 CO 0.78 0.82 0.50 -1.35 0.00 0.00 0.00 173.10 173.85 2br2 s SER 44 N -0.95 -0.43 -0.04 1.64 1.04 -1.25 -0.04 113.70 113.67 2br2 s SER 44 Ca -0.10 0.35 -0.15 0.00 0.48 0.00 0.00 55.95 56.53 2br2 s SER 44 Cb -0.02 0.44 0.03 0.00 0.10 0.00 0.00 66.02 66.57 2br2 s SER 44 CO 0.07 -0.58 0.33 0.00 0.98 0.00 0.00 173.24 174.04 2br2 s ALA 45 N -1.55 -0.84 -0.14 5.32 0.00 -0.79 -0.37 121.76 123.40 2br2 s ALA 45 Ca -0.11 0.52 -0.02 0.00 0.00 0.00 0.00 51.96 52.36 2br2 s ALA 45 Cb -0.02 -0.09 -0.02 0.00 0.00 0.00 0.00 23.12 22.99 2br2 s ALA 45 CO 0.05 -0.24 -0.08 0.42 0.00 0.00 0.00 175.76 175.90 2br2 s ILE 46 N -0.96 3.48 -0.06 0.00 1.01 0.44 -1.06 121.20 124.06 2br2 s ILE 46 Ca -0.10 -0.51 0.04 0.00 0.00 0.00 0.00 60.65 60.07 2br2 s ILE 46 Cb -0.04 -2.49 0.00 0.00 0.01 0.00 0.00 42.46 39.94 2br2 s ILE 46 CO 0.04 0.52 -0.18 0.12 0.00 0.00 0.00 174.94 175.43 2br2 s PHE 47 N 0.25 1.87 -0.11 3.97 5.36 -0.46 -1.49 117.98 127.38 2br2 s PHE 47 Ca -0.06 -0.63 0.01 0.00 -0.96 0.00 0.00 56.93 55.29 2br2 s PHE 47 Cb -0.15 -1.28 0.02 0.00 -0.34 0.00 0.00 43.02 41.27 2br2 s PHE 47 CO 0.04 -0.25 -0.13 -1.21 -1.46 0.00 0.00 175.22 172.21 2br2 s GLU 48 N 0.24 2.03 -0.27 10.12 2.02 0.54 -1.23 118.70 132.16 2br2 s GLU 48 Ca -0.10 -0.48 0.00 0.00 0.02 0.00 0.00 54.97 54.42 2br2 s GLU 48 Cb -0.14 -1.80 0.05 0.00 0.10 0.00 0.00 34.13 32.34 2br2 s GLU 48 CO 0.04 -0.12 -0.07 -1.64 0.02 0.00 0.00 175.26 173.49 2br2 s MET 49 N 1.17 2.49 3.74 1.61 -1.94 0.13 -1.49 119.30 125.01 2br2 s MET 49 Ca -0.04 -1.20 0.00 0.00 -1.71 0.00 0.00 55.69 52.74 2br2 s MET 49 Cb -0.14 -2.99 0.00 0.00 2.01 0.00 0.00 34.83 33.71 2br2 s MET 49 CO -0.04 -0.53 0.00 0.41 -0.01 0.00 0.00 175.02 174.86 2br2 n GLY 50 N 4.56 2.94 0.80 -0.03 0.00 0.48 -0.86 105.19 113.08 2br2 n GLY 50 Ca -0.15 0.29 0.13 0.00 0.00 0.00 0.00 46.02 46.29 2br2 n GLY 50 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2br2 n ASN 51 N 5.86 2.51 -4.65 1.61 3.02 -1.26 -4.84 115.26 117.51 2br2 n ASN 51 Ca 0.00 -1.83 -0.41 0.00 -0.03 0.00 0.00 54.58 52.31 2br2 n ASN 51 Cb 0.00 0.01 -0.05 0.00 -0.61 0.00 0.00 39.78 39.14 2br2 n ASN 51 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2br2 s THR 52 N -2.02 4.90 -0.05 3.41 2.01 -0.04 -4.27 115.64 119.58 2br2 s THR 52 Ca 0.31 1.46 0.00 0.00 0.31 0.00 0.00 61.69 63.77 2br2 s THR 52 Cb 0.20 -4.07 0.02 0.00 0.01 0.00 0.00 72.50 68.67 2br2 s THR 52 CO 0.32 0.01 -0.03 -0.54 -0.69 0.00 0.00 174.62 173.69 2br2 s LYS 53 N 2.39 0.76 0.05 4.92 1.02 0.07 -0.70 119.74 128.25 2br2 s LYS 53 Ca 0.34 -0.04 0.06 0.00 0.02 0.00 0.00 55.97 56.35 2br2 s LYS 53 Cb -0.16 -0.88 -0.03 0.00 -0.52 0.00 0.00 37.83 36.24 2br2 s LYS 53 CO 0.10 -0.16 -0.16 0.00 -0.92 0.00 0.00 175.35 174.21 2br2 s ALA 54 N 1.26 1.37 -0.05 5.17 0.00 -0.36 -0.05 121.76 129.09 2br2 s ALA 54 Ca -0.06 -0.96 0.05 0.00 0.00 0.00 0.00 51.96 51.00 2br2 s ALA 54 Cb -0.14 -0.21 -0.02 0.00 0.00 0.00 0.00 23.12 22.76 2br2 s ALA 54 CO -0.02 0.26 -0.19 -1.50 0.00 0.00 0.00 175.76 174.32 2br2 s ILE 55 N -0.95 2.67 0.00 0.00 2.07 -0.31 -1.35 121.20 123.32 2br2 s ILE 55 Ca 0.03 -0.86 0.04 0.00 -1.41 0.00 0.00 60.65 58.45 2br2 s ILE 55 Cb -0.09 -2.02 -0.01 0.00 0.13 0.00 0.00 42.46 40.48 2br2 s ILE 55 CO 0.02 0.58 -0.14 0.00 -1.91 0.00 0.00 174.94 173.49 2br2 s ALA 56 N -0.57 1.14 -0.01 1.50 0.00 -0.22 -0.52 121.76 123.08 2br2 s ALA 56 Ca 0.08 -0.64 0.04 0.00 0.00 0.00 0.00 51.96 51.44 2br2 s ALA 56 Cb -0.11 -0.27 -0.01 0.00 0.00 0.00 0.00 23.12 22.74 2br2 s ALA 56 CO 0.01 0.27 -0.12 0.00 0.00 0.00 0.00 175.76 175.91 2br2 s ALA 57 N -0.44 1.04 -0.12 0.00 0.00 0.53 -1.88 121.76 120.91 2br2 s ALA 57 Ca 0.04 -0.53 0.02 0.00 0.00 0.00 0.00 51.96 51.49 2br2 s ALA 57 Cb -0.06 -0.28 -0.01 0.00 0.00 0.00 0.00 23.12 22.78 2br2 s ALA 57 CO -0.00 0.25 -0.18 0.08 0.00 0.00 0.00 175.76 175.91 2br2 s VAL 58 N -0.25 2.63 -0.38 0.00 1.01 0.94 -0.58 120.40 123.78 2br2 s VAL 58 Ca 0.04 -0.82 -0.06 0.00 0.00 0.00 0.00 61.98 61.15 2br2 s VAL 58 Cb -0.05 -2.07 0.07 0.00 0.00 0.00 0.00 36.38 34.33 2br2 s VAL 58 CO -0.00 0.54 0.17 -0.31 0.00 0.00 0.00 175.10 175.49 2br2 s TYR 59 N 0.34 3.36 1.36 5.22 1.51 -0.22 -0.69 117.35 128.23 2br2 s TYR 59 Ca -0.14 -1.77 -0.22 0.00 -1.01 0.00 0.00 57.07 53.93 2br2 s TYR 59 Cb -0.17 -2.72 0.35 0.00 -0.11 0.00 0.00 41.96 39.31 2br2 s TYR 59 CO 0.07 -0.84 0.78 0.41 -1.11 0.00 0.00 175.55 174.86 2br2 n GLY 60 N 4.77 -3.74 3.67 0.71 0.00 -1.26 -2.50 105.19 106.85 2br2 n GLY 60 Ca -0.09 -1.21 -0.47 0.00 0.00 0.00 0.00 46.02 44.25 2br2 n GLY 60 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2br2 n PRO 61 N -5.16 2.17 -3.77 1.61 -0.02 -1.26 -4.66 135.00 123.91 2br2 n PRO 61 Ca 0.12 0.79 -0.13 0.00 -2.02 0.00 0.00 63.50 62.26 2br2 n PRO 61 Cb 0.54 -2.59 -0.10 0.00 -0.02 0.00 0.00 33.50 31.33 2br2 n PRO 61 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 2br2 s LYS 62 N 2.33 0.54 0.26 -0.52 -2.85 -0.92 -4.95 119.74 113.64 2br2 s LYS 62 Ca 0.85 0.04 -0.28 0.00 -1.00 0.00 0.00 55.97 55.58 2br2 s LYS 62 Cb -0.68 0.24 -0.15 0.00 -2.06 0.00 0.00 37.83 35.18 2br2 s LYS 62 CO 0.44 -0.12 0.90 0.39 0.10 0.00 0.00 175.35 177.05 2br2 n GLU 63 N 1.93 0.99 -3.62 1.78 1.02 -1.26 -0.16 120.64 121.32 2br2 n GLU 63 Ca -0.18 0.35 -0.36 0.00 -0.02 0.00 0.00 57.16 56.94 2br2 n GLU 63 Cb 0.57 -1.63 -0.07 0.00 -0.02 0.00 0.00 31.44 30.28 2br2 n GLU 63 CO 0.00 0.00 0.00 1.41 1.18 0.00 0.00 177.13 179.72 2br2 s MET 64 N -1.33 4.15 0.00 3.49 1.75 -1.20 -4.68 119.30 121.49 2br2 s MET 64 Ca 0.61 -0.00 0.00 0.00 -1.25 0.00 0.00 55.69 55.05 2br2 s MET 64 Cb -0.77 -3.40 0.00 0.00 2.84 0.00 0.00 34.83 33.50 2br2 s MET 64 CO 0.58 0.32 0.73 -2.39 -0.65 0.00 0.00 175.02 173.61 2br2 n HIS 65 N 3.35 0.00 -3.22 4.11 1.44 -1.26 -3.87 115.22 115.77 2br2 n HIS 65 Ca -0.14 0.00 -0.42 0.00 -2.01 0.00 0.00 57.72 55.15 2br2 n HIS 65 Cb 0.52 -0.23 -0.08 0.00 0.12 0.00 0.00 29.99 30.33 2br2 n HIS 65 CO 0.00 0.00 0.00 -1.25 -2.81 0.00 0.00 176.34 172.28 2br2 s PRO 66 N -1.91 3.55 0.43 -1.40 0.05 -1.26 -4.97 135.00 129.49 2br2 s PRO 66 Ca 0.00 -0.21 0.13 0.00 0.05 0.00 0.00 61.00 60.97 2br2 s PRO 66 Cb 0.00 -3.84 1.02 0.00 0.05 0.00 0.00 34.50 31.74 2br2 s PRO 66 CO 0.00 -0.71 1.99 -0.09 0.05 0.00 0.00 177.00 178.24 2br2 h ARG 67 N 8.53 0.40 0.00 4.56 2.43 -1.99 -1.21 114.38 127.10 2br2 h ARG 67 Ca -0.27 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 58.87 2br2 h ARG 67 Cb 1.12 -0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 30.58 2br2 h ARG 67 CO 0.79 0.27 -0.00 1.12 -1.51 0.00 0.00 179.97 180.64 2br2 h HIS 68 N 0.41 0.00 -0.00 2.20 2.07 -1.93 -0.78 115.15 117.12 2br2 h HIS 68 Ca 0.27 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.79 2br2 h HIS 68 Cb 0.50 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.48 2br2 h HIS 68 CO -0.00 0.00 -0.22 1.28 -3.07 0.00 0.00 177.93 175.92 2br2 n LEU 69 N -3.11 0.71 -4.95 6.12 4.77 -0.46 -4.90 117.00 115.19 2br2 n LEU 69 Ca -0.02 -0.10 -0.26 0.00 -0.03 0.00 0.00 56.01 55.60 2br2 n LEU 69 Cb 0.11 -0.18 0.10 0.00 -2.33 0.00 0.00 43.42 41.12 2br2 n LEU 69 CO 0.21 0.14 0.65 -0.94 -1.33 0.00 0.00 177.39 176.12 2br2 s SER 70 N -2.57 4.35 0.05 -1.43 1.04 -0.30 -4.99 113.70 109.85 2br2 s SER 70 Ca 0.24 0.19 0.08 0.00 0.48 0.00 0.00 55.95 56.94 2br2 s SER 70 Cb 0.19 -0.65 -0.03 0.00 0.10 0.00 0.00 66.02 65.64 2br2 s SER 70 CO 0.52 -1.89 -0.24 -0.76 0.98 0.00 0.00 173.24 171.85 2br2 s LEU 71 N -5.34 2.18 0.44 2.42 1.43 -1.26 -5.02 118.68 113.54 2br2 s LEU 71 Ca 0.65 -0.57 0.25 0.00 -1.03 0.00 0.00 54.13 53.42 2br2 s LEU 71 Cb -0.08 -1.13 0.67 0.00 0.03 0.00 0.00 46.19 45.68 2br2 s LEU 71 CO 0.46 0.20 1.72 1.55 0.23 0.00 0.00 176.35 180.51 2br2 h PRO 72 N 4.74 0.00 0.00 1.29 0.13 -1.97 -0.86 132.00 135.33 2br2 h PRO 72 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2br2 h PRO 72 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 2br2 h PRO 72 CO 0.43 0.12 -0.46 -0.40 -0.23 0.00 0.00 178.00 177.47 2br2 n ASP 73 N -3.17 0.75 -3.97 1.44 5.75 -1.26 -4.58 116.55 111.51 2br2 n ASP 73 Ca 0.02 -0.57 -0.08 0.00 -0.01 0.00 0.00 54.79 54.15 2br2 n ASP 73 Cb 0.49 1.04 -0.08 0.00 -1.03 0.00 0.00 41.12 41.54 2br2 n ASP 73 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 2br2 s ARG 74 N -1.75 0.80 0.41 0.11 0.52 -1.26 -4.38 118.95 113.41 2br2 s ARG 74 Ca 0.02 -1.11 -0.18 0.00 -0.52 0.00 0.00 55.73 53.93 2br2 s ARG 74 Cb 0.05 0.29 -0.10 0.00 0.52 0.00 0.00 34.95 35.71 2br2 s ARG 74 CO 0.28 -0.23 0.89 0.00 0.02 0.00 0.00 175.30 176.26 2br2 s ALA 75 N -3.91 3.13 -0.20 2.13 0.00 0.05 -2.77 121.76 120.19 2br2 s ALA 75 Ca 0.09 0.25 -0.15 0.00 0.00 0.00 0.00 51.96 52.15 2br2 s ALA 75 Cb 0.06 -3.03 -0.04 0.00 0.00 0.00 0.00 23.12 20.11 2br2 s ALA 75 CO -0.08 0.13 0.35 0.08 0.00 0.00 0.00 175.76 176.23 2br2 s VAL 76 N -2.20 5.24 0.00 0.00 1.01 -0.28 -4.93 120.40 119.24 2br2 s VAL 76 Ca 0.59 0.60 -0.24 0.00 0.00 0.00 0.00 61.98 62.93 2br2 s VAL 76 Cb -0.09 -3.68 -0.05 0.00 0.00 0.00 0.00 36.38 32.56 2br2 s VAL 76 CO 0.17 0.28 0.71 -0.76 0.00 0.00 0.00 175.10 175.51 2br2 s LEU 77 N 1.19 4.40 -0.19 3.92 1.43 -1.26 -1.03 118.68 127.14 2br2 s LEU 77 Ca 0.17 1.32 0.00 0.00 -1.03 0.00 0.00 54.13 54.59 2br2 s LEU 77 Cb -0.14 -3.13 0.02 0.00 0.03 0.00 0.00 46.19 42.97 2br2 s LEU 77 CO 0.07 -0.01 -0.16 -0.13 0.23 0.00 0.00 176.35 176.35 2br2 s ARG 78 N 0.18 2.99 -0.05 1.70 0.52 -0.50 -4.95 118.95 118.84 2br2 s ARG 78 Ca 0.37 -0.84 0.05 0.00 -0.52 0.00 0.00 55.73 54.78 2br2 s ARG 78 Cb -0.19 -2.67 -0.00 0.00 0.52 0.00 0.00 34.95 32.60 2br2 s ARG 78 CO 0.20 -0.24 -0.19 0.08 0.02 0.00 0.00 175.30 175.17 2br2 s VAL 79 N 1.31 1.58 -0.17 3.52 1.01 -1.26 -0.26 120.40 126.13 2br2 s VAL 79 Ca 0.04 -0.80 0.01 0.00 0.00 0.00 0.00 61.98 61.22 2br2 s VAL 79 Cb -0.14 -1.35 0.03 0.00 0.00 0.00 0.00 36.38 34.92 2br2 s VAL 79 CO -0.11 0.45 -0.14 -0.60 0.00 0.00 0.00 175.10 174.71 2br2 s ARG 80 N -0.01 2.32 -0.27 2.72 3.52 -0.64 -4.91 118.95 121.68 2br2 s ARG 80 Ca -0.04 -0.71 -0.11 0.00 -0.13 0.00 0.00 55.73 54.75 2br2 s ARG 80 Cb -0.12 -2.29 -0.05 0.00 -1.56 0.00 0.00 34.95 30.93 2br2 s ARG 80 CO 0.03 -0.30 0.17 -0.47 -0.81 0.00 0.00 175.30 173.92 2br2 s TYR 81 N 1.42 3.22 -0.04 5.12 5.04 -1.26 -1.11 117.35 129.74 2br2 s TYR 81 Ca 0.03 0.08 -0.04 0.00 -2.44 0.00 0.00 57.07 54.70 2br2 s TYR 81 Cb -0.14 -2.35 0.01 0.00 0.35 0.00 0.00 41.96 39.83 2br2 s TYR 81 CO -0.10 -0.15 0.11 -1.58 -1.34 0.00 0.00 175.55 172.48 2br2 s HIS 82 N 1.65 -0.10 -0.20 4.97 2.46 -0.98 -4.82 115.29 118.27 2br2 s HIS 82 Ca 0.07 0.25 -0.07 0.00 0.47 0.00 0.00 55.06 55.78 2br2 s HIS 82 Cb -0.16 0.03 -0.03 0.00 -0.13 0.00 0.00 32.58 32.29 2br2 s HIS 82 CO 0.09 -0.07 0.04 -1.64 -2.47 0.00 0.00 174.74 170.70 2br2 s MET 83 N -0.04 3.78 0.57 2.88 1.00 -1.26 0.05 119.30 126.27 2br2 s MET 83 Ca -0.01 -0.44 -0.20 0.00 0.00 0.00 0.00 55.69 55.04 2br2 s MET 83 Cb -0.01 -3.20 -0.04 0.00 0.00 0.00 0.00 34.83 31.58 2br2 s MET 83 CO 0.00 0.08 1.23 0.95 0.00 0.00 0.00 175.02 177.27 2br2 s THR 84 N 0.88 2.60 0.59 2.05 -4.23 -0.71 -4.84 115.64 111.98 2br2 s THR 84 Ca 0.03 0.40 0.28 0.00 -1.18 0.00 0.00 61.69 61.22 2br2 s THR 84 Cb -0.14 -3.17 0.36 0.00 1.34 0.00 0.00 72.50 70.88 2br2 s THR 84 CO 0.02 -0.06 2.13 -0.65 -0.54 0.00 0.00 174.62 175.53 2br2 h PRO 85 N 1.15 0.00 -0.54 3.99 0.11 -1.91 -2.01 132.00 132.80 2br2 h PRO 85 Ca -0.50 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.55 2br2 h PRO 85 Cb 1.29 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.37 2br2 h PRO 85 CO 0.56 0.00 0.06 1.97 -0.21 0.00 0.00 178.00 180.38 2br2 n PHE 86 N -3.84 1.91 0.47 0.65 1.16 -1.26 -2.08 117.46 114.47 2br2 n PHE 86 Ca 0.01 -0.89 0.12 0.00 -1.87 0.00 0.00 57.45 54.82 2br2 n PHE 86 Cb 0.28 -0.51 0.23 0.00 -1.61 0.00 0.00 39.48 37.87 2br2 n PHE 86 CO 0.00 0.00 0.00 0.66 -1.87 0.00 0.00 176.76 175.55 2br2 h SER 87 N 3.17 0.00 -1.90 5.98 4.64 -1.50 -3.46 113.55 120.48 2br2 h SER 87 Ca 0.06 -0.08 -0.60 0.00 -0.47 0.00 0.00 61.79 60.71 2br2 h SER 87 Cb 1.95 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 63.91 2br2 h SER 87 CO 0.49 0.04 -0.56 0.42 -0.87 0.00 0.00 176.83 176.35 2br2 s THR 88 N -3.17 1.25 0.13 2.95 -4.23 -1.26 -0.48 115.64 110.83 2br2 s THR 88 Ca 0.07 -2.00 -0.13 0.00 -1.18 0.00 0.00 61.69 58.45 2br2 s THR 88 Cb 0.11 -2.54 -0.02 0.00 1.34 0.00 0.00 72.50 71.39 2br2 s THR 88 CO 0.68 0.00 1.55 0.44 -0.54 0.00 0.00 174.62 176.74 2br2 h ASP 89 N 1.71 0.80 -2.90 3.99 3.32 -1.92 -3.42 116.42 118.01 2br2 h ASP 89 Ca -0.41 -0.35 -0.63 0.00 0.02 0.00 0.00 57.03 55.65 2br2 h ASP 89 Cb 1.27 -0.22 -0.07 0.00 0.22 0.00 0.00 39.33 40.53 2br2 h ASP 89 CO 0.71 0.96 -0.38 -1.61 -1.72 0.00 0.00 179.24 177.21 2br2 s GLU 90 N -4.84 3.76 0.11 3.56 2.02 -1.26 -5.04 118.70 117.01 2br2 s GLU 90 Ca -0.12 0.06 -0.31 0.00 0.02 0.00 0.00 54.97 54.61 2br2 s GLU 90 Cb 0.11 -3.25 -0.10 0.00 0.10 0.00 0.00 34.13 30.99 2br2 s GLU 90 CO 0.82 0.63 1.76 0.50 0.02 0.00 0.00 175.26 178.99 2br2 s ARG 91 N -0.70 4.16 0.16 1.61 3.52 -1.26 -4.92 118.95 121.51 2br2 s ARG 91 Ca 0.17 2.50 -0.29 0.00 -0.13 0.00 0.00 55.73 57.98 2br2 s ARG 91 Cb -0.13 -3.57 -0.07 0.00 -1.56 0.00 0.00 34.95 29.62 2br2 s ARG 91 CO 0.06 -0.80 0.91 0.15 -0.81 0.00 0.00 175.30 174.82 2br2 s LYS 92 N 2.61 4.72 0.09 5.12 1.02 -0.88 -5.03 119.74 127.39 2br2 s LYS 92 Ca 0.78 1.40 -0.31 0.00 0.02 0.00 0.00 55.97 57.86 2br2 s LYS 92 Cb -0.44 -3.33 -0.09 0.00 -0.52 0.00 0.00 37.83 33.46 2br2 s LYS 92 CO 0.35 0.37 1.64 1.21 -0.92 0.00 0.00 175.35 178.01 2br2 s ASN 93 N -0.57 6.59 0.57 2.83 3.84 -1.26 -4.29 114.94 122.64 2br2 s ASN 93 Ca 0.43 2.52 0.33 0.00 0.21 0.00 0.00 52.86 56.35 2br2 s ASN 93 Cb -0.24 -2.57 1.70 0.00 -0.55 0.00 0.00 41.25 39.59 2br2 s ASN 93 CO 0.30 -0.88 2.14 1.55 -2.79 0.00 0.00 177.10 177.42 2br2 h PRO 94 N 8.04 0.00 -6.77 0.43 0.13 -1.96 -3.43 132.00 128.43 2br2 h PRO 94 Ca -0.43 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.15 2br2 h PRO 94 Cb 1.20 0.00 0.10 0.00 0.13 0.00 0.00 31.00 32.43 2br2 h PRO 94 CO 0.93 0.06 0.70 0.00 -0.23 0.00 0.00 178.00 179.46 2br2 n ALA 95 N -2.20 1.88 -2.09 -0.56 0.00 -1.26 -4.89 120.51 111.39 2br2 n ALA 95 Ca -0.02 0.37 -0.42 0.00 0.00 0.00 0.00 53.44 53.37 2br2 n ALA 95 Cb 0.20 -2.36 -0.03 0.00 0.00 0.00 0.00 19.45 17.26 2br2 n ALA 95 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 2br2 s PRO 96 N -1.23 4.31 0.54 0.00 0.02 -1.26 -5.00 135.00 132.38 2br2 s PRO 96 Ca 0.60 2.12 -0.06 0.00 0.02 0.00 0.00 61.00 63.68 2br2 s PRO 96 Cb -0.54 -3.22 -0.02 0.00 0.02 0.00 0.00 34.50 30.74 2br2 s PRO 96 CO 0.56 -0.43 0.86 -1.54 -0.33 0.00 0.00 177.00 176.12 2br2 s SER 97 N 0.94 6.01 0.29 2.53 1.04 -1.26 -4.91 113.70 118.34 2br2 s SER 97 Ca 0.64 0.92 0.04 0.00 0.48 0.00 0.00 55.95 58.03 2br2 s SER 97 Cb -0.38 -2.08 0.67 0.00 0.10 0.00 0.00 66.02 64.32 2br2 s SER 97 CO 0.32 -0.80 1.80 0.03 0.98 0.00 0.00 173.24 175.57 2br2 h ARG 98 N 0.00 0.82 -0.38 4.02 3.08 -1.99 -0.35 114.38 119.58 2br2 h ARG 98 Ca -0.46 -0.05 0.04 0.00 0.07 0.00 0.00 59.98 59.58 2br2 h ARG 98 Cb 1.22 -0.18 -0.04 0.00 0.08 0.00 0.00 29.97 31.05 2br2 h ARG 98 CO 0.61 0.54 0.16 -0.09 -1.07 0.00 0.00 179.97 180.12 2br2 h ARG 99 N 0.84 0.32 -0.51 0.04 2.43 -1.99 -0.87 114.38 114.64 2br2 h ARG 99 Ca 0.55 -0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 59.63 2br2 h ARG 99 Cb 0.74 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.20 2br2 h ARG 99 CO -0.34 0.21 0.06 0.93 -1.51 0.00 0.00 179.97 179.32 2br2 h GLU 100 N 0.33 0.82 -0.13 0.20 5.08 -1.49 -0.64 114.58 118.75 2br2 h GLU 100 Ca 0.17 -0.20 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 2br2 h GLU 100 Cb 0.12 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 2br2 h GLU 100 CO -0.15 0.79 0.04 0.82 -1.00 0.00 0.00 179.01 179.50 2br2 h ILE 101 N 0.78 1.19 -0.17 3.13 2.04 -0.80 -0.73 117.51 122.95 2br2 h ILE 101 Ca 0.16 -0.59 -0.00 0.00 1.00 0.00 0.00 64.86 65.43 2br2 h ILE 101 Cb 0.39 1.33 -0.01 0.00 -0.74 0.00 0.00 36.82 37.79 2br2 h ILE 101 CO 0.01 0.18 0.09 -0.08 0.00 0.00 0.00 178.15 178.34 2br2 h GLU 102 N 0.02 0.24 -0.25 2.37 4.81 -0.95 -2.75 114.58 118.07 2br2 h GLU 102 Ca 0.04 -0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 59.18 2br2 h GLU 102 Cb 0.24 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.56 2br2 h GLU 102 CO -0.00 0.25 -0.10 -0.07 -0.73 0.00 0.00 179.01 178.36 2br2 h LEU 103 N 0.16 0.38 -0.62 1.64 3.38 -1.09 -0.51 115.31 118.65 2br2 h LEU 103 Ca 0.06 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2br2 h LEU 103 Cb 0.09 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 2br2 h LEU 103 CO -0.01 0.52 0.39 0.28 0.09 0.00 0.00 178.44 179.71 2br2 h SER 104 N 0.37 0.73 -0.05 -0.43 0.02 -1.00 0.89 113.55 114.09 2br2 h SER 104 Ca 0.07 -0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 60.98 2br2 h SER 104 Cb 0.41 -0.18 -0.00 0.00 0.14 0.00 0.00 62.40 62.77 2br2 h SER 104 CO 0.02 0.55 0.01 0.50 -1.14 0.00 0.00 176.83 176.77 2br2 h LYS 105 N 0.84 0.08 -0.50 3.45 3.64 -1.09 -0.11 116.57 122.87 2br2 h LYS 105 Ca 0.22 -0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.62 2br2 h LYS 105 Cb -0.06 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 31.71 2br2 h LYS 105 CO -0.05 0.29 0.28 0.28 -2.27 0.00 0.00 179.45 177.99 2br2 h VAL 106 N -0.15 1.02 -0.22 2.00 2.07 -0.87 -0.51 116.25 119.58 2br2 h VAL 106 Ca 0.01 -0.19 -0.03 0.00 0.82 0.00 0.00 66.70 67.31 2br2 h VAL 106 Cb 0.25 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 30.42 2br2 h VAL 106 CO 0.00 0.10 0.01 0.40 0.02 0.00 0.00 177.57 178.10 2br2 h ILE 107 N 0.56 1.25 -0.45 4.57 2.04 -0.78 -2.10 117.51 122.60 2br2 h ILE 107 Ca 0.21 -0.86 0.09 0.00 1.00 0.00 0.00 64.86 65.30 2br2 h ILE 107 Cb 0.06 1.38 -0.08 0.00 -0.74 0.00 0.00 36.82 37.43 2br2 h ILE 107 CO -0.11 0.27 -0.08 -0.09 0.00 0.00 0.00 178.15 178.13 2br2 h ARG 108 N 0.16 0.03 -0.82 2.37 2.43 -0.59 -1.17 114.38 116.79 2br2 h ARG 108 Ca 0.06 -0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.21 2br2 h ARG 108 Cb 0.39 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.89 2br2 h ARG 108 CO 0.01 0.02 0.42 0.93 -1.51 0.00 0.00 179.97 179.84 2br2 h GLU 109 N 0.03 1.17 -0.64 0.20 5.08 -0.95 0.32 114.58 119.77 2br2 h GLU 109 Ca 0.22 -0.15 0.05 0.00 -1.00 0.00 0.00 59.36 58.47 2br2 h GLU 109 Cb 0.33 -0.22 -0.05 0.00 0.50 0.00 0.00 28.75 29.32 2br2 h GLU 109 CO -0.44 0.88 0.37 0.00 -1.00 0.00 0.00 179.01 178.82 2br2 h ALA 110 N 1.30 0.85 -0.09 3.43 0.00 -0.66 -2.29 119.26 121.79 2br2 h ALA 110 Ca 0.29 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 55.05 2br2 h ALA 110 Cb 0.08 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2br2 h ALA 110 CO -0.04 0.08 -0.60 -0.07 0.00 0.00 0.00 179.25 178.61 2br2 h LEU 111 N 0.71 0.34 -1.61 0.00 3.38 -0.03 -2.94 115.31 115.16 2br2 h LEU 111 Ca 0.28 -0.20 -0.05 0.00 0.09 0.00 0.00 57.88 58.01 2br2 h LEU 111 Cb 0.12 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 2br2 h LEU 111 CO -0.15 0.87 -0.21 -0.33 0.09 0.00 0.00 178.44 178.70 2br2 h GLU 112 N 0.22 0.00 0.00 1.13 5.08 -0.45 0.22 114.58 120.78 2br2 h GLU 112 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2br2 h GLU 112 Cb 1.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.37 2br2 h GLU 112 CO 0.10 0.21 0.00 0.66 -1.00 0.00 0.00 179.01 178.98 2br2 h SER 113 N 0.00 0.00 0.00 1.42 4.64 -1.25 -3.34 113.55 115.02 2br2 h SER 113 Ca -0.00 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 60.98 2br2 h SER 113 Cb 0.42 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.45 2br2 h SER 113 CO 0.03 0.00 -2.27 0.00 -0.87 0.00 0.00 176.83 173.72 2br2 n ALA 114 N -1.97 1.51 -2.47 5.18 0.00 -0.22 -4.85 120.51 117.69 2br2 n ALA 114 Ca 0.03 -0.95 -0.42 0.00 0.00 0.00 0.00 53.44 52.10 2br2 n ALA 114 Cb 0.37 0.01 -0.03 0.00 0.00 0.00 0.00 19.45 19.80 2br2 n ALA 114 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2br2 s VAL 115 N -2.44 4.53 -1.39 0.00 1.01 0.59 0.17 120.40 122.87 2br2 s VAL 115 Ca -0.30 1.92 -0.15 0.00 0.00 0.00 0.00 61.98 63.45 2br2 s VAL 115 Cb 0.08 -4.23 0.02 0.00 0.00 0.00 0.00 36.38 32.26 2br2 s VAL 115 CO 0.50 0.21 2.16 0.18 0.00 0.00 0.00 175.10 178.15 2br2 n LEU 116 N 3.43 6.46 0.28 3.92 4.77 -0.79 -4.75 117.00 130.32 2br2 n LEU 116 Ca 0.05 -4.01 0.14 0.00 -0.03 0.00 0.00 56.01 52.16 2br2 n LEU 116 Cb 0.49 -1.62 0.84 0.00 -2.33 0.00 0.00 43.42 40.80 2br2 n LEU 116 CO 0.52 0.89 1.07 -0.37 -1.33 0.00 0.00 177.39 178.18 2br2 h VAL 117 N 4.18 0.57 0.00 4.08 -1.51 -1.89 -2.49 116.25 119.18 2br2 h VAL 117 Ca 0.55 -0.18 -0.01 0.00 -1.23 0.00 0.00 66.70 65.83 2br2 h VAL 117 Cb 0.66 1.11 -0.00 0.00 -2.13 0.00 0.00 31.29 30.93 2br2 h VAL 117 CO 1.86 0.04 -0.05 -0.33 -1.23 0.00 0.00 177.57 177.86 2br2 h GLU 118 N 0.00 0.00 0.00 5.19 3.07 -1.86 0.45 114.58 121.43 2br2 h GLU 118 Ca -0.00 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.85 2br2 h GLU 118 Cb 0.11 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.02 2br2 h GLU 118 CO 0.01 0.05 -0.04 -0.07 -1.40 0.00 0.00 179.01 177.56 2br2 h LEU 119 N 0.00 0.00 -6.10 1.33 4.07 -1.72 -3.36 115.31 109.53 2br2 h LEU 119 Ca -0.00 0.00 -0.58 0.00 0.08 0.00 0.00 57.88 57.38 2br2 h LEU 119 Cb 0.20 0.00 -0.41 0.00 1.08 0.00 0.00 40.66 41.53 2br2 h LEU 119 CO 0.01 0.04 -0.82 0.49 -1.08 0.00 0.00 178.44 177.08 2br2 n PHE 120 N -3.18 1.93 -1.86 1.13 3.01 -0.63 -5.04 117.46 112.82 2br2 n PHE 120 Ca -0.00 -3.90 -0.37 0.00 1.01 0.00 0.00 57.45 54.19 2br2 n PHE 120 Cb 0.26 -0.47 0.05 0.00 -0.01 0.00 0.00 39.48 39.32 2br2 n PHE 120 CO 0.00 0.00 0.00 -2.14 1.01 0.00 0.00 176.76 175.63 2br2 s PRO 121 N -1.94 2.78 -0.66 -1.08 0.02 -1.26 -2.34 135.00 130.52 2br2 s PRO 121 Ca 0.38 1.99 0.00 0.00 0.02 0.00 0.00 61.00 63.39 2br2 s PRO 121 Cb 0.16 -1.92 0.00 0.00 0.02 0.00 0.00 34.50 32.76 2br2 s PRO 121 CO -0.05 -1.40 0.00 0.54 -0.33 0.00 0.00 177.00 175.75 2br2 n ARG 122 N -1.69 -1.24 -4.31 5.54 5.12 -0.33 -4.87 116.66 114.88 2br2 n ARG 122 Ca 0.14 0.63 -0.25 0.00 -1.93 0.00 0.00 57.85 56.45 2br2 n ARG 122 Cb 0.48 -4.71 -0.08 0.00 -1.16 0.00 0.00 32.46 26.99 2br2 n ARG 122 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 2br2 s THR 123 N -1.83 2.61 0.03 0.55 -4.23 -1.18 -3.20 115.64 108.39 2br2 s THR 123 Ca 0.00 -1.93 0.09 0.00 -1.18 0.00 0.00 61.69 58.67 2br2 s THR 123 Cb 0.00 -2.84 -0.03 0.00 1.34 0.00 0.00 72.50 70.98 2br2 s THR 123 CO 0.00 -0.18 -0.26 0.00 -0.54 0.00 0.00 174.62 173.64 2br2 s ALA 124 N -2.52 2.23 -0.24 3.99 0.00 0.78 -1.13 121.76 124.87 2br2 s ALA 124 Ca 0.35 -1.24 -0.01 0.00 0.00 0.00 0.00 51.96 51.06 2br2 s ALA 124 Cb 0.00 -0.49 0.02 0.00 0.00 0.00 0.00 23.12 22.66 2br2 s ALA 124 CO 0.20 0.53 -0.07 0.42 0.00 0.00 0.00 175.76 176.84 2br2 s ILE 125 N -0.77 2.83 -0.22 0.00 1.01 -0.20 -2.15 121.20 121.71 2br2 s ILE 125 Ca 0.11 -0.99 -0.14 0.00 0.00 0.00 0.00 60.65 59.64 2br2 s ILE 125 Cb -0.10 -2.41 -0.04 0.00 0.01 0.00 0.00 42.46 39.92 2br2 s ILE 125 CO 0.01 0.24 0.31 -1.81 0.00 0.00 0.00 174.94 173.69 2br2 s ASP 126 N 1.33 6.32 -0.26 3.58 1.01 -1.04 -1.41 116.67 126.20 2br2 s ASP 126 Ca 0.01 0.36 0.02 0.00 0.71 0.00 0.00 52.55 53.65 2br2 s ASP 126 Cb -0.16 -2.18 0.05 0.00 1.01 0.00 0.00 42.92 41.64 2br2 s ASP 126 CO -0.05 -0.02 -0.11 -0.69 0.21 0.00 0.00 175.17 174.51 2br2 s VAL 127 N 1.22 2.26 -0.16 -1.27 1.01 0.64 -1.05 120.40 123.04 2br2 s VAL 127 Ca 0.15 -1.52 -0.04 0.00 0.00 0.00 0.00 61.98 60.56 2br2 s VAL 127 Cb -0.14 -2.28 -0.03 0.00 0.00 0.00 0.00 36.38 33.93 2br2 s VAL 127 CO 0.07 0.03 -0.02 -0.36 0.00 0.00 0.00 175.10 174.81 2br2 s PHE 128 N 1.14 3.05 -0.06 5.22 0.40 0.26 -1.62 117.98 126.37 2br2 s PHE 128 Ca -0.07 -0.27 0.04 0.00 -0.60 0.00 0.00 56.93 56.03 2br2 s PHE 128 Cb -0.19 -1.98 -0.00 0.00 0.51 0.00 0.00 43.02 41.36 2br2 s PHE 128 CO -0.05 -0.03 -0.19 0.99 0.70 0.00 0.00 175.22 176.64 2br2 s THR 129 N 0.41 1.57 -0.08 0.64 2.01 -0.27 -0.34 115.64 119.58 2br2 s THR 129 Ca -0.03 -0.78 0.01 0.00 0.31 0.00 0.00 61.69 61.20 2br2 s THR 129 Cb -0.14 -1.36 0.02 0.00 0.01 0.00 0.00 72.50 71.04 2br2 s THR 129 CO 0.03 0.45 -0.07 -1.61 -0.69 0.00 0.00 174.62 172.72 2br2 s GLU 130 N 0.13 1.33 -0.30 4.92 0.41 0.32 -2.32 118.70 123.19 2br2 s GLU 130 Ca -0.07 -0.23 -0.27 0.00 -0.41 0.00 0.00 54.97 53.99 2br2 s GLU 130 Cb -0.13 -1.32 0.01 0.00 -1.78 0.00 0.00 34.13 30.91 2br2 s GLU 130 CO 0.03 -0.15 0.97 0.42 -0.49 0.00 0.00 175.26 176.04 2br2 s ILE 131 N 1.28 4.64 -0.06 -1.63 1.09 0.11 -1.16 121.20 125.47 2br2 s ILE 131 Ca -0.04 1.59 0.02 0.00 -1.10 0.00 0.00 60.65 61.13 2br2 s ILE 131 Cb -0.14 -4.30 -0.25 0.00 -1.06 0.00 0.00 42.46 36.71 2br2 s ILE 131 CO -0.03 -0.34 0.59 -0.07 -0.10 0.00 0.00 174.94 174.99 2br2 h LEU 132 N 9.75 0.23 -7.59 2.97 3.38 -0.80 -1.89 115.31 121.36 2br2 h LEU 132 Ca -0.22 -0.47 -0.22 0.00 0.09 0.00 0.00 57.88 57.06 2br2 h LEU 132 Cb 1.07 -0.08 -0.29 0.00 0.09 0.00 0.00 40.66 41.46 2br2 h LEU 132 CO 0.97 1.42 -0.63 -1.10 0.09 0.00 0.00 178.44 179.19 2br2 s GLN 133 N -2.59 0.08 -0.17 1.13 -0.21 -1.12 -4.07 119.66 112.71 2br2 s GLN 133 Ca -0.12 0.17 -0.03 0.00 0.02 0.00 0.00 55.36 55.40 2br2 s GLN 133 Cb 0.07 -0.03 -0.02 0.00 1.00 0.00 0.00 33.01 34.03 2br2 s GLN 133 CO 0.81 -0.06 -0.05 0.00 -2.12 0.00 0.00 175.29 173.87 2br2 s ALA 134 N 0.38 2.92 -0.33 6.09 0.00 0.37 -0.76 121.76 130.43 2br2 s ALA 134 Ca -0.03 -0.92 0.17 0.00 0.00 0.00 0.00 51.96 51.18 2br2 s ALA 134 Cb -0.04 -1.57 0.45 0.00 0.00 0.00 0.00 23.12 21.96 2br2 s ALA 134 CO -0.01 0.05 0.98 -3.47 0.00 0.00 0.00 175.76 173.31 2br2 n ASP 135 N 3.86 1.07 -0.88 0.00 2.03 -1.26 -4.79 116.55 116.57 2br2 n ASP 135 Ca -0.18 -2.71 0.00 0.00 0.52 0.00 0.00 54.79 52.43 2br2 n ASP 135 Cb 0.52 -0.37 0.00 0.00 -0.72 0.00 0.00 41.12 40.55 2br2 n ASP 135 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2br2 n ALA 136 N -0.09 -1.39 -0.90 -1.67 0.00 -1.26 -3.41 120.51 111.79 2br2 n ALA 136 Ca 0.09 0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.79 2br2 n ALA 136 Cb 0.81 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 19.23 2br2 n ALA 136 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2br2 n GLY 137 N -1.90 0.52 0.31 0.00 0.00 -1.26 -4.77 105.19 98.09 2br2 n GLY 137 Ca 0.00 -0.29 0.04 0.00 0.00 0.00 0.00 46.02 45.76 2br2 n GLY 137 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2br2 h SER 138 N 0.00 0.68 -0.49 1.61 0.02 -1.95 -1.49 113.55 111.93 2br2 h SER 138 Ca 0.00 0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 61.00 2br2 h SER 138 Cb 0.00 -0.08 -0.03 0.00 0.14 0.00 0.00 62.40 62.44 2br2 h SER 138 CO 0.00 0.38 0.29 0.08 -1.14 0.00 0.00 176.83 176.44 2br2 h ARG 139 N 0.79 0.69 0.12 3.45 0.11 -1.99 0.20 114.38 117.75 2br2 h ARG 139 Ca 0.41 -0.06 -0.25 0.00 0.10 0.00 0.00 59.98 60.18 2br2 h ARG 139 Cb 0.40 -0.14 0.03 0.00 1.11 0.00 0.00 29.97 31.36 2br2 h ARG 139 CO -0.26 0.50 -1.03 -0.07 0.10 0.00 0.00 179.97 179.21 2br2 h LEU 140 N 0.70 0.71 -0.43 0.08 3.38 -1.70 -1.58 115.31 116.47 2br2 h LEU 140 Ca 0.18 -0.85 0.01 0.00 0.09 0.00 0.00 57.88 57.31 2br2 h LEU 140 Cb 0.00 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 2br2 h LEU 140 CO -0.03 1.49 0.28 0.58 0.09 0.00 0.00 178.44 180.85 2br2 h VAL 141 N 0.02 1.09 -0.49 1.22 2.07 -0.96 0.79 116.25 119.99 2br2 h VAL 141 Ca -0.16 -0.19 0.03 0.00 0.82 0.00 0.00 66.70 67.20 2br2 h VAL 141 Cb 1.75 0.48 -0.04 0.00 -1.52 0.00 0.00 31.29 31.97 2br2 h VAL 141 CO 0.20 0.10 0.28 -1.28 0.02 0.00 0.00 177.57 176.89 2br2 h SER 142 N 0.56 0.43 -0.44 0.57 0.87 -0.65 0.45 113.55 115.34 2br2 h SER 142 Ca 0.16 0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.72 2br2 h SER 142 Cb -0.05 -0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 61.82 2br2 h SER 142 CO -0.05 0.30 0.21 0.25 -0.53 0.00 0.00 176.83 177.02 2br2 h LEU 143 N 0.55 0.57 -0.45 2.23 5.85 -0.75 -0.59 115.31 122.71 2br2 h LEU 143 Ca 0.20 -0.12 -0.11 0.00 0.84 0.00 0.00 57.88 58.69 2br2 h LEU 143 Cb 0.06 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 40.93 2br2 h LEU 143 CO -0.11 0.53 -0.15 0.24 -0.34 0.00 0.00 178.44 178.61 2br2 h MET 144 N 0.56 0.90 -0.61 1.25 2.86 -0.64 0.04 114.93 119.29 2br2 h MET 144 Ca 0.15 -0.36 0.05 0.00 -2.06 0.00 0.00 59.70 57.48 2br2 h MET 144 Cb 0.11 -0.04 -0.05 0.00 0.06 0.00 0.00 31.60 31.68 2br2 h MET 144 CO -0.02 1.01 0.34 0.00 1.06 0.00 0.00 176.91 179.30 2br2 h ALA 145 N 0.86 0.81 0.19 6.32 0.00 -0.76 -0.66 119.26 126.02 2br2 h ALA 145 Ca 0.11 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 2br2 h ALA 145 Cb 0.71 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 2br2 h ALA 145 CO 0.05 0.03 -0.15 0.00 0.00 0.00 0.00 179.25 179.18 2br2 h ALA 146 N 1.31 -0.33 -0.66 0.00 0.00 -0.75 0.99 119.26 119.83 2br2 h ALA 146 Ca 0.27 -0.05 0.13 0.00 0.00 0.00 0.00 54.91 55.25 2br2 h ALA 146 Cb 0.13 0.21 -0.09 0.00 0.00 0.00 0.00 17.79 18.04 2br2 h ALA 146 CO -0.16 -0.70 0.16 1.03 0.00 0.00 0.00 179.25 179.57 2br2 h SER 147 N -0.36 0.02 0.03 0.00 0.87 -0.58 -0.08 113.55 113.46 2br2 h SER 147 Ca -0.01 0.12 -0.17 0.00 -1.23 0.00 0.00 61.79 60.50 2br2 h SER 147 Cb 0.32 0.16 -0.00 0.00 -0.44 0.00 0.00 62.40 62.44 2br2 h SER 147 CO -0.02 0.00 -0.61 -0.07 -0.53 0.00 0.00 176.83 175.61 2br2 h LEU 148 N 0.28 0.65 -0.90 2.23 3.38 -0.88 -2.02 115.31 118.05 2br2 h LEU 148 Ca 0.36 -0.37 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 2br2 h LEU 148 Cb 0.56 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.09 2br2 h LEU 148 CO -0.44 1.11 0.16 0.00 0.09 0.00 0.00 178.44 179.36 2br2 h ALA 149 N 0.90 1.11 -0.44 1.53 0.00 0.10 0.38 119.26 122.83 2br2 h ALA 149 Ca -0.00 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 2br2 h ALA 149 Cb 1.17 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 2br2 h ALA 149 CO 0.11 0.60 0.18 -0.07 0.00 0.00 0.00 179.25 180.08 2br2 h LEU 150 N 0.93 0.60 -0.61 0.00 3.38 -0.89 0.29 115.31 119.01 2br2 h LEU 150 Ca 0.20 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2br2 h LEU 150 Cb 0.32 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 2br2 h LEU 150 CO -0.00 0.59 0.40 0.00 0.09 0.00 0.00 178.44 179.52 2br2 h ALA 151 N 1.03 0.77 -0.36 1.53 0.00 -0.89 -1.87 119.26 119.47 2br2 h ALA 151 Ca 0.15 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.03 2br2 h ALA 151 Cb 0.17 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 2br2 h ALA 151 CO -0.01 0.21 0.24 0.22 0.00 0.00 0.00 179.25 179.91 2br2 h ASP 152 N 0.82 0.34 0.86 0.00 3.58 0.16 -0.16 116.42 122.03 2br2 h ASP 152 Ca 0.22 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.67 2br2 h ASP 152 Cb -0.08 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 40.88 2br2 h ASP 152 CO -0.05 0.24 0.00 0.00 -2.88 0.00 0.00 179.24 176.55 2br2 n ALA 153 N -2.50 2.32 -1.57 -0.78 0.00 0.05 -4.70 120.51 113.32 2br2 n ALA 153 Ca 0.03 -0.11 -0.04 0.00 0.00 0.00 0.00 53.44 53.32 2br2 n ALA 153 Cb 0.13 -1.46 -0.01 0.00 0.00 0.00 0.00 19.45 18.11 2br2 n ALA 153 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2br2 n GLY 154 N 1.34 0.46 3.66 0.00 0.00 -0.07 -4.89 105.19 105.69 2br2 n GLY 154 Ca 0.08 -0.81 -0.41 0.00 0.00 0.00 0.00 46.02 44.89 2br2 n GLY 154 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2br2 s ILE 155 N -2.17 4.92 0.22 -0.61 1.01 -0.77 -5.01 121.20 118.79 2br2 s ILE 155 Ca 0.00 1.49 -0.30 0.00 0.00 0.00 0.00 60.65 61.83 2br2 s ILE 155 Cb 0.00 -4.07 -0.10 0.00 0.01 0.00 0.00 42.46 38.30 2br2 s ILE 155 CO 0.00 0.05 1.47 -2.84 0.00 0.00 0.00 174.94 173.61 2br2 s PRO 156 N 2.12 4.26 0.12 2.79 0.02 -1.26 -4.51 135.00 138.54 2br2 s PRO 156 Ca 0.35 2.29 0.01 0.00 0.02 0.00 0.00 61.00 63.68 2br2 s PRO 156 Cb -0.16 -3.13 -0.04 0.00 0.02 0.00 0.00 34.50 31.18 2br2 s PRO 156 CO 0.11 -0.46 -0.03 -1.64 -0.33 0.00 0.00 177.00 174.65 2br2 s MET 157 N 0.13 0.90 0.25 5.54 -1.94 -1.26 -1.88 119.30 121.03 2br2 s MET 157 Ca 0.62 -1.39 -0.05 0.00 -1.71 0.00 0.00 55.69 53.16 2br2 s MET 157 Cb -0.42 -0.14 0.27 0.00 2.01 0.00 0.00 34.83 36.55 2br2 s MET 157 CO 0.39 -0.08 1.83 0.00 -0.01 0.00 0.00 175.02 177.15 2br2 h ARG 158 N 2.89 1.10 -1.90 2.03 3.08 -0.61 -3.47 114.38 117.51 2br2 h ARG 158 Ca -0.36 -0.17 0.25 0.00 0.07 0.00 0.00 59.98 59.77 2br2 h ARG 158 Cb 1.18 -0.19 -0.10 0.00 0.08 0.00 0.00 29.97 30.93 2br2 h ARG 158 CO 0.64 0.87 0.65 0.34 -1.07 0.00 0.00 179.97 181.40 2br2 s ASP 159 N -6.39 -0.12 0.77 7.04 2.15 -1.26 -5.02 116.67 113.84 2br2 s ASP 159 Ca -0.12 -0.27 -0.11 0.00 0.43 0.00 0.00 52.55 52.48 2br2 s ASP 159 Cb 0.16 0.33 0.05 0.00 -0.30 0.00 0.00 42.92 43.16 2br2 s ASP 159 CO 0.82 -0.60 1.09 -0.76 -0.17 0.00 0.00 175.17 175.55 2br2 s LEU 160 N -2.95 2.72 -0.17 -1.34 1.43 -1.26 -4.94 118.68 112.17 2br2 s LEU 160 Ca 0.13 1.32 -0.02 0.00 -1.03 0.00 0.00 54.13 54.53 2br2 s LEU 160 Cb 0.02 -4.00 -0.01 0.00 0.03 0.00 0.00 46.19 42.22 2br2 s LEU 160 CO -0.01 -1.80 -0.08 -0.63 0.23 0.00 0.00 176.35 174.06 2br2 s ILE 161 N -3.17 3.30 0.04 -0.59 1.01 -1.26 -4.16 121.20 116.36 2br2 s ILE 161 Ca 0.60 -0.55 0.08 0.00 0.00 0.00 0.00 60.65 60.78 2br2 s ILE 161 Cb -0.14 -2.44 -0.03 0.00 0.01 0.00 0.00 42.46 39.86 2br2 s ILE 161 CO 0.54 0.48 -0.24 0.00 0.00 0.00 0.00 174.94 175.72 2br2 s ALA 162 N 0.77 2.08 0.02 9.38 0.00 -0.43 -4.61 121.76 128.95 2br2 s ALA 162 Ca -0.03 -1.18 -0.13 0.00 0.00 0.00 0.00 51.96 50.62 2br2 s ALA 162 Cb -0.15 -0.44 0.02 0.00 0.00 0.00 0.00 23.12 22.54 2br2 s ALA 162 CO 0.02 0.49 0.27 0.20 0.00 0.00 0.00 175.76 176.74 2br2 s GLY 163 N -1.12 -0.09 0.01 0.00 0.00 -1.26 -0.49 107.32 104.37 2br2 s GLY 163 Ca 0.10 0.07 -0.10 0.00 0.00 0.00 0.00 44.72 44.80 2br2 s GLY 163 CO 0.02 -0.13 0.19 -1.34 0.00 0.00 0.00 173.10 171.84 2br2 s VAL 164 N -1.98 0.09 -0.16 1.40 -7.23 -0.41 -4.90 120.40 107.20 2br2 s VAL 164 Ca -0.09 -0.72 -0.19 0.00 -1.81 0.00 0.00 61.98 59.18 2br2 s VAL 164 Cb -0.03 -0.63 -0.04 0.00 0.56 0.00 0.00 36.38 36.25 2br2 s VAL 164 CO -0.00 -0.39 0.51 0.00 -0.31 0.00 0.00 175.10 174.91 2br2 s ALA 165 N -1.75 3.50 0.24 1.32 0.00 -1.26 -1.37 121.76 122.43 2br2 s ALA 165 Ca -0.11 -0.28 0.08 0.00 0.00 0.00 0.00 51.96 51.65 2br2 s ALA 165 Cb -0.05 -2.75 -0.04 0.00 0.00 0.00 0.00 23.12 20.28 2br2 s ALA 165 CO 0.00 -0.23 0.06 0.54 0.00 0.00 0.00 175.76 176.14 2br2 s VAL 166 N 1.14 3.86 0.01 0.00 0.11 -0.54 0.45 120.40 125.44 2br2 s VAL 166 Ca 0.26 -1.61 -0.01 0.00 -2.93 0.00 0.00 61.98 57.68 2br2 s VAL 166 Cb -0.15 -3.04 0.00 0.00 -1.53 0.00 0.00 36.38 31.66 2br2 s VAL 166 CO 0.10 -0.30 0.04 0.61 -3.33 0.00 0.00 175.10 172.23 2br2 n GLY 167 N -0.78 1.44 2.94 6.54 0.00 -0.10 0.29 105.19 115.51 2br2 n GLY 167 Ca -0.08 -0.95 -0.26 0.00 0.00 0.00 0.00 46.02 44.73 2br2 n GLY 167 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2br2 s LYS 168 N -2.00 1.54 0.00 1.61 2.20 -1.07 -0.47 119.74 121.55 2br2 s LYS 168 Ca 0.01 -0.29 0.00 0.00 -0.36 0.00 0.00 55.97 55.33 2br2 s LYS 168 Cb -0.00 -1.51 0.00 0.00 -1.51 0.00 0.00 37.83 34.81 2br2 s LYS 168 CO 0.00 -0.18 0.00 0.00 -0.36 0.00 0.00 175.35 174.81 2br2 n ALA 169 N 4.60 0.00 -2.77 3.13 0.00 0.65 -0.67 120.51 125.45 2br2 n ALA 169 Ca -0.16 -0.04 -0.27 0.00 0.00 0.00 0.00 53.44 52.97 2br2 n ALA 169 Cb 0.50 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.93 2br2 n ALA 169 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2br2 n ASP 170 N -1.66 4.64 0.00 0.00 8.00 -1.26 -4.27 116.55 121.99 2br2 n ASP 170 Ca 0.00 -3.70 0.00 0.00 0.71 0.00 0.00 54.79 51.80 2br2 n ASP 170 Cb 0.00 -0.54 0.00 0.00 -0.02 0.00 0.00 41.12 40.56 2br2 n ASP 170 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2br2 n GLY 171 N -0.33 1.82 3.72 0.44 0.00 -1.26 -5.00 105.19 104.59 2br2 n GLY 171 Ca 0.34 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 46.01 2br2 n GLY 171 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2br2 s VAL 172 N -3.26 5.39 -0.06 1.61 1.01 -1.26 -5.07 120.40 118.76 2br2 s VAL 172 Ca 0.00 0.24 -0.30 0.00 0.00 0.00 0.00 61.98 61.92 2br2 s VAL 172 Cb 0.00 -3.49 -0.03 0.00 0.00 0.00 0.00 36.38 32.86 2br2 s VAL 172 CO 0.00 0.43 1.14 -0.63 0.00 0.00 0.00 175.10 176.03 2br2 s ILE 173 N 0.42 4.42 0.16 2.22 1.01 -1.26 -0.25 121.20 127.93 2br2 s ILE 173 Ca 0.09 1.73 0.06 0.00 0.00 0.00 0.00 60.65 62.53 2br2 s ILE 173 Cb -0.11 -4.11 -0.04 0.00 0.01 0.00 0.00 42.46 38.20 2br2 s ILE 173 CO -0.01 0.01 -0.13 0.27 0.00 0.00 0.00 174.94 175.08 2br2 s ILE 174 N 2.06 1.44 -0.13 2.92 -4.36 0.38 -4.81 121.20 118.70 2br2 s ILE 174 Ca 0.54 -2.03 -0.01 0.00 -0.26 0.00 0.00 60.65 58.88 2br2 s ILE 174 Cb -0.23 -1.84 -0.02 0.00 1.25 0.00 0.00 42.46 41.62 2br2 s ILE 174 CO 0.21 -0.60 -0.09 -0.22 0.24 0.00 0.00 174.94 174.48 2br2 s LEU 175 N -3.03 2.95 -0.26 0.37 2.96 0.15 -0.93 118.68 120.89 2br2 s LEU 175 Ca 0.17 -0.23 -0.05 0.00 -0.22 0.00 0.00 54.13 53.79 2br2 s LEU 175 Cb -0.01 -1.68 0.01 0.00 0.50 0.00 0.00 46.19 45.01 2br2 s LEU 175 CO 0.04 0.18 0.20 -0.67 -1.32 0.00 0.00 176.35 174.78 2br2 n ASP 176 N 3.43 -6.21 -4.78 3.68 2.03 0.17 -4.69 116.55 110.18 2br2 n ASP 176 Ca -0.18 0.71 -0.37 0.00 0.52 0.00 0.00 54.79 55.47 2br2 n ASP 176 Cb 0.53 -4.07 -0.06 0.00 -0.72 0.00 0.00 41.12 36.79 2br2 n ASP 176 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2br2 s LEU 177 N -1.61 4.35 1.12 -2.67 1.43 -1.23 -4.77 118.68 115.30 2br2 s LEU 177 Ca 0.08 1.83 -0.13 0.00 -1.03 0.00 0.00 54.13 54.89 2br2 s LEU 177 Cb -0.02 -3.99 0.26 0.00 0.03 0.00 0.00 46.19 42.46 2br2 s LEU 177 CO 0.55 -0.06 1.05 0.20 0.23 0.00 0.00 176.35 178.31 2br2 s ASN 178 N -1.60 1.40 0.18 2.29 0.02 -1.26 -4.59 114.94 111.37 2br2 s ASN 178 Ca 0.50 1.46 -0.11 0.00 -1.02 0.00 0.00 52.86 53.69 2br2 s ASN 178 Cb -0.19 -2.20 0.09 0.00 0.02 0.00 0.00 41.25 38.97 2br2 s ASN 178 CO 0.24 -3.93 1.74 -0.08 0.02 0.00 0.00 177.10 175.09 2br2 h GLU 179 N -2.44 0.96 -0.58 -0.60 4.81 -1.90 -1.09 114.58 113.74 2br2 h GLU 179 Ca -0.59 -0.17 0.05 0.00 -0.13 0.00 0.00 59.36 58.52 2br2 h GLU 179 Cb 1.33 -0.16 -0.05 0.00 0.63 0.00 0.00 28.75 30.50 2br2 h GLU 179 CO 0.52 0.80 0.30 1.15 -0.73 0.00 0.00 179.01 181.06 2br2 h THR 180 N 0.90 0.96 -0.29 0.32 2.02 -1.93 0.14 112.91 115.02 2br2 h THR 180 Ca 0.21 -0.20 -0.15 0.00 0.77 0.00 0.00 66.41 67.04 2br2 h THR 180 Cb 0.20 0.33 -0.01 0.00 -1.74 0.00 0.00 68.15 66.93 2br2 h THR 180 CO -0.02 0.11 -0.44 -0.33 0.37 0.00 0.00 175.52 175.21 2br2 h GLU 181 N 0.58 0.75 -0.02 6.66 5.08 -1.90 -1.32 114.58 124.40 2br2 h GLU 181 Ca 0.26 -0.41 0.01 0.00 -1.00 0.00 0.00 59.36 58.22 2br2 h GLU 181 Cb 0.16 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 2br2 h GLU 181 CO -0.17 1.03 -0.02 0.22 -1.00 0.00 0.00 179.01 179.07 2br2 h ASP 182 N 0.60 -0.06 -0.13 1.42 1.82 -0.79 0.17 116.42 119.45 2br2 h ASP 182 Ca 0.04 0.01 -0.02 0.00 -0.39 0.00 0.00 57.03 56.68 2br2 h ASP 182 Cb 0.99 0.03 -0.00 0.00 0.68 0.00 0.00 39.33 41.03 2br2 h ASP 182 CO 0.09 -0.03 0.01 -0.03 -1.61 0.00 0.00 179.24 177.68 2br2 h MET 183 N -0.02 0.21 0.00 0.28 4.05 -0.88 -3.35 114.93 115.22 2br2 h MET 183 Ca 0.02 -0.06 0.00 0.00 -0.28 0.00 0.00 59.70 59.37 2br2 h MET 183 Cb 0.05 -0.02 0.00 0.00 -0.80 0.00 0.00 31.60 30.82 2br2 h MET 183 CO -0.04 0.43 -1.17 0.91 0.23 0.00 0.00 176.91 177.28 2br2 n TRP 184 N -4.81 0.00 -1.12 1.39 7.02 -0.51 -4.99 117.44 114.42 2br2 n TRP 184 Ca -0.06 0.00 -0.29 0.00 -1.02 0.00 0.00 57.50 56.14 2br2 n TRP 184 Cb 0.19 -0.09 0.19 0.00 -2.42 0.00 0.00 31.31 29.18 2br2 n TRP 184 CO 0.00 0.00 0.00 0.20 -2.02 0.00 0.00 177.69 175.87 2br2 s GLY 185 N -3.24 1.56 0.17 6.99 0.00 0.58 -4.98 107.32 108.40 2br2 s GLY 185 Ca 0.05 -0.45 0.15 0.00 0.00 0.00 0.00 44.72 44.47 2br2 s GLY 185 CO 0.86 0.21 1.15 0.83 0.00 0.00 0.00 173.10 176.15 2br2 h GLU 186 N -2.06 0.00 -2.96 2.90 3.07 -1.08 -3.48 114.58 110.98 2br2 h GLU 186 Ca -0.54 0.00 -0.11 0.00 -0.50 0.00 0.00 59.36 58.21 2br2 h GLU 186 Cb 1.33 0.00 -0.19 0.00 -0.84 0.00 0.00 28.75 29.05 2br2 h GLU 186 CO 0.55 0.44 -0.22 0.00 -1.40 0.00 0.00 179.01 178.38 2br2 s ALA 187 N -2.93 -0.88 -0.09 3.43 0.00 -1.20 -1.01 121.76 119.08 2br2 s ALA 187 Ca 0.01 0.39 -0.03 0.00 0.00 0.00 0.00 51.96 52.32 2br2 s ALA 187 Cb 0.08 0.11 0.05 0.00 0.00 0.00 0.00 23.12 23.36 2br2 s ALA 187 CO 0.78 -0.30 0.13 0.34 0.00 0.00 0.00 175.76 176.72 2br2 s ASP 188 N -1.42 1.05 -0.48 0.00 2.15 0.54 -2.59 116.67 115.91 2br2 s ASP 188 Ca -0.12 0.13 0.03 0.00 0.43 0.00 0.00 52.55 53.02 2br2 s ASP 188 Cb -0.04 0.13 0.15 0.00 -0.30 0.00 0.00 42.92 42.86 2br2 s ASP 188 CO 0.04 -0.26 0.31 -0.32 -0.17 0.00 0.00 175.17 174.76 2br2 s MET 189 N 2.25 1.43 0.20 4.34 -2.45 0.15 -0.88 119.30 124.33 2br2 s MET 189 Ca 0.04 -2.28 -0.30 0.00 -1.25 0.00 0.00 55.69 51.89 2br2 s MET 189 Cb -0.13 -2.34 -0.09 0.00 1.25 0.00 0.00 34.83 33.52 2br2 s MET 189 CO -0.06 -1.23 1.41 -1.25 1.05 0.00 0.00 175.02 174.93 2br2 s PRO 190 N -0.05 4.31 -0.03 4.11 0.04 -1.07 -1.46 135.00 140.84 2br2 s PRO 190 Ca 0.22 2.19 0.01 0.00 0.04 0.00 0.00 61.00 63.46 2br2 s PRO 190 Cb -0.14 -3.17 0.02 0.00 0.04 0.00 0.00 34.50 31.25 2br2 s PRO 190 CO -0.07 -0.39 -0.02 0.42 0.04 0.00 0.00 177.00 176.97 2br2 s ILE 191 N 0.38 0.29 -0.02 0.56 1.01 -0.47 -1.75 121.20 121.21 2br2 s ILE 191 Ca 0.61 -0.03 0.03 0.00 0.00 0.00 0.00 60.65 61.26 2br2 s ILE 191 Cb -0.39 -0.34 -0.00 0.00 0.01 0.00 0.00 42.46 41.73 2br2 s ILE 191 CO 0.38 0.15 -0.11 0.00 0.00 0.00 0.00 174.94 175.36 2br2 s ALA 192 N 0.72 0.96 0.18 9.38 0.00 0.02 -1.29 121.76 131.73 2br2 s ALA 192 Ca -0.08 -0.45 0.03 0.00 0.00 0.00 0.00 51.96 51.46 2br2 s ALA 192 Cb -0.11 -0.29 -0.05 0.00 0.00 0.00 0.00 23.12 22.68 2br2 s ALA 192 CO -0.01 0.20 -0.03 -1.64 0.00 0.00 0.00 175.76 174.29 2br2 s MET 193 N -0.09 1.14 -0.79 0.00 1.00 0.36 -0.19 119.30 120.74 2br2 s MET 193 Ca 0.01 -1.54 -0.18 0.00 0.00 0.00 0.00 55.69 53.98 2br2 s MET 193 Cb -0.06 -0.44 0.14 0.00 0.00 0.00 0.00 34.83 34.46 2br2 s MET 193 CO 0.00 -0.07 0.91 -1.64 0.00 0.00 0.00 175.02 174.23 2br2 s MET 194 N -3.86 3.40 0.25 2.03 -1.94 0.28 -1.32 119.30 118.14 2br2 s MET 194 Ca 0.23 -1.71 -0.05 0.00 -1.71 0.00 0.00 55.69 52.44 2br2 s MET 194 Cb 0.05 -4.56 0.31 0.00 2.01 0.00 0.00 34.83 32.64 2br2 s MET 194 CO 0.04 -1.60 1.88 -1.35 -0.01 0.00 0.00 175.02 173.98 2br2 h PRO 195 N 8.77 1.11 0.00 2.03 0.11 -1.84 -0.99 132.00 141.18 2br2 h PRO 195 Ca -0.02 -0.07 -0.00 0.00 0.11 0.00 0.00 66.00 66.02 2br2 h PRO 195 Cb 1.05 -0.25 -0.00 0.00 0.11 0.00 0.00 31.00 31.91 2br2 h PRO 195 CO 1.03 0.73 -0.02 0.77 -0.21 0.00 0.00 178.00 180.30 2br2 h SER 196 N 1.14 0.00 -0.01 -2.05 0.02 -1.93 -2.54 113.55 108.18 2br2 h SER 196 Ca 0.38 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.33 2br2 h SER 196 Cb 0.05 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.59 2br2 h SER 196 CO -0.14 0.02 -0.67 0.18 -1.14 0.00 0.00 176.83 175.09 2br2 n LEU 197 N -4.07 1.65 -3.67 5.07 4.77 -0.43 -4.97 117.00 115.35 2br2 n LEU 197 Ca -0.03 -0.66 -0.28 0.00 -0.03 0.00 0.00 56.01 55.01 2br2 n LEU 197 Cb 0.11 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.21 2br2 n LEU 197 CO 0.30 0.33 0.05 0.59 -1.33 0.00 0.00 177.39 177.33 2br2 n ASN 198 N -0.57 -4.64 -4.46 -1.43 5.03 -0.90 -4.98 115.26 103.30 2br2 n ASN 198 Ca 0.07 -0.62 -0.35 0.00 0.87 0.00 0.00 54.58 54.55 2br2 n ASN 198 Cb 0.42 -3.74 -0.12 0.00 -1.02 0.00 0.00 39.78 35.31 2br2 n ASN 198 CO 0.00 0.00 0.00 -1.10 -1.83 0.00 0.00 177.26 174.33 2br2 s GLN 199 N -6.36 3.65 -0.19 3.52 -1.52 -1.13 -5.00 119.66 112.63 2br2 s GLN 199 Ca 0.56 -0.50 -0.26 0.00 -1.95 0.00 0.00 55.36 53.21 2br2 s GLN 199 Cb -0.28 -3.11 -0.01 0.00 -0.22 0.00 0.00 33.01 29.39 2br2 s GLN 199 CO 0.69 0.02 0.85 0.08 -0.25 0.00 0.00 175.29 176.68 2br2 s VAL 200 N 1.00 4.85 -0.14 1.09 1.01 -1.26 -0.56 120.40 126.38 2br2 s VAL 200 Ca 0.02 1.66 -0.12 0.00 0.00 0.00 0.00 61.98 63.54 2br2 s VAL 200 Cb -0.14 -4.15 -0.24 0.00 0.00 0.00 0.00 36.38 31.84 2br2 s VAL 200 CO 0.02 -0.02 0.34 0.74 0.00 0.00 0.00 175.10 176.18 2br2 h THR 201 N 5.28 0.75 -3.65 3.92 2.02 -0.91 -3.48 112.91 116.84 2br2 h THR 201 Ca -0.27 -2.30 -0.36 0.00 0.77 0.00 0.00 66.41 64.25 2br2 h THR 201 Cb 1.11 2.44 -0.32 0.00 -1.74 0.00 0.00 68.15 69.65 2br2 h THR 201 CO 0.86 0.71 -0.76 -0.22 0.37 0.00 0.00 175.52 176.48 2br2 s LEU 202 N -7.34 1.56 -0.22 2.58 0.20 -0.93 -4.22 118.68 110.31 2br2 s LEU 202 Ca -0.24 -0.10 -0.04 0.00 0.69 0.00 0.00 54.13 54.45 2br2 s LEU 202 Cb 0.06 -0.34 0.11 0.00 -0.43 0.00 0.00 46.19 45.60 2br2 s LEU 202 CO 0.72 -0.02 0.32 0.12 -0.29 0.00 0.00 176.35 177.20 2br2 s PHE 203 N 0.52 -0.60 0.02 5.38 5.36 -1.26 -0.80 117.98 126.61 2br2 s PHE 203 Ca -0.06 0.67 0.01 0.00 -0.96 0.00 0.00 56.93 56.59 2br2 s PHE 203 Cb -0.10 -0.10 -0.02 0.00 -0.34 0.00 0.00 43.02 42.46 2br2 s PHE 203 CO -0.00 -0.64 -0.05 -0.65 -1.46 0.00 0.00 175.22 172.42 2br2 s GLN 204 N 2.46 0.39 -0.04 10.12 -0.21 -0.72 -5.05 119.66 126.61 2br2 s GLN 204 Ca 0.09 -0.54 0.00 0.00 0.02 0.00 0.00 55.36 54.93 2br2 s GLN 204 Cb -0.15 -0.15 0.03 0.00 1.00 0.00 0.00 33.01 33.73 2br2 s GLN 204 CO -0.14 0.02 -0.01 -1.17 -2.12 0.00 0.00 175.29 171.88 2br2 s LEU 205 N -1.14 1.06 0.09 2.90 2.96 -1.26 -2.61 118.68 120.67 2br2 s LEU 205 Ca -0.09 -0.06 0.09 0.00 -0.22 0.00 0.00 54.13 53.86 2br2 s LEU 205 Cb -0.08 -0.32 -0.04 0.00 0.50 0.00 0.00 46.19 46.26 2br2 s LEU 205 CO -0.00 -0.11 -0.24 0.54 -1.32 0.00 0.00 176.35 175.22 2br2 s ASN 206 N 1.22 3.47 0.00 3.68 2.20 -0.06 -5.00 114.94 120.45 2br2 s ASN 206 Ca -0.07 -0.61 0.00 0.00 -0.94 0.00 0.00 52.86 51.24 2br2 s ASN 206 Cb -0.13 -0.37 0.00 0.00 -2.00 0.00 0.00 41.25 38.75 2br2 s ASN 206 CO -0.02 0.21 0.00 0.61 -2.94 0.00 0.00 177.10 174.96 2br2 n GLY 207 N 1.23 0.73 3.46 0.45 0.00 -1.26 -0.34 105.19 109.45 2br2 n GLY 207 Ca -0.17 -1.67 -0.09 0.00 0.00 0.00 0.00 46.02 44.09 2br2 n GLY 207 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2br2 s SER 208 N -4.00 -0.71 0.00 1.61 0.15 -0.18 -4.95 113.70 105.62 2br2 s SER 208 Ca 0.00 1.19 -0.14 0.00 0.70 0.00 0.00 55.95 57.70 2br2 s SER 208 Cb 0.00 1.09 0.02 0.00 -1.71 0.00 0.00 66.02 65.42 2br2 s SER 208 CO 0.00 -0.21 0.30 -0.04 1.20 0.00 0.00 173.24 174.48 2br2 s MET 209 N 1.36 0.69 0.52 5.44 -1.94 -1.26 -4.41 119.30 119.70 2br2 s MET 209 Ca -0.09 -0.28 -0.17 0.00 -1.71 0.00 0.00 55.69 53.44 2br2 s MET 209 Cb -0.06 0.30 -0.08 0.00 2.01 0.00 0.00 34.83 37.00 2br2 s MET 209 CO -0.14 -0.20 1.00 0.95 -0.01 0.00 0.00 175.02 176.62 2br2 s THR 210 N -1.62 4.32 0.33 2.05 -4.23 -1.26 -4.85 115.64 110.38 2br2 s THR 210 Ca -0.12 1.18 0.10 0.00 -1.18 0.00 0.00 61.69 61.68 2br2 s THR 210 Cb -0.04 -3.62 0.33 0.00 1.34 0.00 0.00 72.50 70.50 2br2 s THR 210 CO 0.02 -0.57 1.77 -0.65 -0.54 0.00 0.00 174.62 174.65 2br2 h PRO 211 N 1.02 0.60 -0.21 3.99 0.11 -2.01 0.19 132.00 135.70 2br2 h PRO 211 Ca -0.47 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.59 2br2 h PRO 211 Cb 1.19 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 2br2 h PRO 211 CO 0.60 0.40 0.08 -0.44 -0.21 0.00 0.00 178.00 178.44 2br2 h ASP 212 N 0.62 0.28 -0.54 -2.05 3.32 -1.99 -0.65 116.42 115.41 2br2 h ASP 212 Ca 0.59 -0.16 0.00 0.00 0.02 0.00 0.00 57.03 57.48 2br2 h ASP 212 Cb 1.12 -0.07 -0.03 0.00 0.22 0.00 0.00 39.33 40.57 2br2 h ASP 212 CO -0.38 0.37 0.35 -0.33 -1.72 0.00 0.00 179.24 177.53 2br2 h GLU 213 N 0.18 0.73 -0.37 3.56 5.08 -1.67 -1.18 114.58 120.91 2br2 h GLU 213 Ca 0.07 -0.05 0.07 0.00 -1.00 0.00 0.00 59.36 58.45 2br2 h GLU 213 Cb 0.17 -0.16 -0.06 0.00 0.50 0.00 0.00 28.75 29.20 2br2 h GLU 213 CO -0.01 0.50 -0.04 0.35 -1.00 0.00 0.00 179.01 178.82 2br2 h PHE 214 N 0.74 -0.09 -0.77 4.33 3.57 -0.47 0.94 116.94 125.19 2br2 h PHE 214 Ca 0.20 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.68 2br2 h PHE 214 Cb -0.06 0.10 -0.03 0.00 2.79 0.00 0.00 35.95 38.74 2br2 h PHE 214 CO -0.03 -0.11 0.31 0.00 -2.23 0.00 0.00 178.31 176.25 2br2 h ARG 215 N 0.06 1.14 0.15 1.11 3.08 -0.77 -1.31 114.38 117.83 2br2 h ARG 215 Ca 0.18 -0.20 -0.01 0.00 0.07 0.00 0.00 59.98 60.02 2br2 h ARG 215 Cb 0.26 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.13 2br2 h ARG 215 CO -0.33 0.92 -0.07 1.96 -1.07 0.00 0.00 179.97 181.38 2br2 h GLN 216 N 1.11 -0.19 -0.59 0.04 4.20 -0.74 -2.15 115.11 116.80 2br2 h GLN 216 Ca 0.26 0.01 0.03 0.00 0.06 0.00 0.00 58.65 59.01 2br2 h GLN 216 Cb 0.21 0.04 -0.04 0.00 0.30 0.00 0.00 27.48 27.99 2br2 h GLN 216 CO -0.02 -0.01 0.35 0.00 -0.67 0.00 0.00 178.83 178.48 2br2 h ALA 217 N 0.50 0.77 -0.38 3.87 0.00 -0.72 -1.94 119.26 121.36 2br2 h ALA 217 Ca -0.02 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 54.96 2br2 h ALA 217 Cb 0.27 -0.16 -0.07 0.00 0.00 0.00 0.00 17.79 17.83 2br2 h ALA 217 CO 0.03 0.06 -0.03 0.35 0.00 0.00 0.00 179.25 179.66 2br2 h PHE 218 N 0.68 -0.09 -0.72 0.00 3.57 -1.18 0.52 116.94 119.73 2br2 h PHE 218 Ca 0.25 0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.82 2br2 h PHE 218 Cb 0.06 0.10 -0.05 0.00 2.79 0.00 0.00 35.95 38.85 2br2 h PHE 218 CO -0.07 -0.11 0.44 -0.44 -2.23 0.00 0.00 178.31 175.91 2br2 h ASP 219 N 0.06 0.70 -0.41 0.41 3.32 -0.81 -2.25 116.42 117.45 2br2 h ASP 219 Ca 0.18 0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.22 2br2 h ASP 219 Cb 0.27 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.67 2br2 h ASP 219 CO -0.34 0.47 0.16 0.25 -1.72 0.00 0.00 179.24 178.06 2br2 h LEU 220 N 0.84 0.56 -0.93 1.55 5.85 -0.60 -2.77 115.31 119.81 2br2 h LEU 220 Ca 0.30 -0.17 0.10 0.00 0.84 0.00 0.00 57.88 58.95 2br2 h LEU 220 Cb 0.09 -0.15 -0.08 0.00 0.37 0.00 0.00 40.66 40.90 2br2 h LEU 220 CO -0.14 0.57 0.57 0.00 -0.34 0.00 0.00 178.44 179.10 2br2 h ALA 221 N 1.01 1.34 -0.62 1.25 0.00 -0.56 -1.55 119.26 120.13 2br2 h ALA 221 Ca 0.14 0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.07 2br2 h ALA 221 Cb 0.19 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 2br2 h ALA 221 CO -0.01 0.22 0.40 0.28 0.00 0.00 0.00 179.25 180.14 2br2 h VAL 222 N 0.95 1.16 -0.61 0.00 2.07 -1.14 0.26 116.25 118.95 2br2 h VAL 222 Ca 0.44 -0.30 -0.07 0.00 0.82 0.00 0.00 66.70 67.59 2br2 h VAL 222 Cb 0.36 0.26 -0.02 0.00 -1.52 0.00 0.00 31.29 30.37 2br2 h VAL 222 CO -0.24 0.16 0.11 0.11 0.02 0.00 0.00 177.57 177.73 2br2 h LYS 223 N 0.84 1.01 0.14 1.57 1.57 -1.16 -0.70 116.57 119.82 2br2 h LYS 223 Ca 0.23 -0.27 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 2br2 h LYS 223 Cb -0.09 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.10 2br2 h LYS 223 CO -0.05 0.94 -0.07 0.78 -0.57 0.00 0.00 179.45 180.49 2br2 h GLY 224 N 0.91 -0.19 0.47 3.86 0.00 -0.92 -2.92 103.07 104.28 2br2 h GLY 224 Ca 0.19 0.07 0.11 0.00 0.00 0.00 0.00 47.33 47.70 2br2 h GLY 224 CO 0.01 -0.07 0.54 -2.22 0.00 0.00 0.00 176.54 174.80 2br2 h ILE 225 N -0.22 0.90 -0.24 2.60 2.04 -0.12 -1.86 117.51 120.61 2br2 h ILE 225 Ca -0.02 -0.30 -0.06 0.00 1.00 0.00 0.00 64.86 65.48 2br2 h ILE 225 Cb 0.17 -0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 36.20 2br2 h ILE 225 CO 0.03 0.16 -0.12 0.78 0.00 0.00 0.00 178.15 179.00 2br2 h ASN 226 N 0.86 0.38 -0.13 1.72 2.35 -1.00 0.36 115.58 120.13 2br2 h ASN 226 Ca 0.45 -0.09 -0.05 0.00 -0.55 0.00 0.00 56.30 56.06 2br2 h ASN 226 Cb 0.45 -0.10 -0.00 0.00 0.05 0.00 0.00 38.32 38.71 2br2 h ASN 226 CO -0.27 0.54 -0.11 0.40 -1.65 0.00 0.00 177.43 176.34 2br2 h ILE 227 N 0.37 1.34 -0.75 2.81 2.04 -1.18 -2.81 117.51 119.34 2br2 h ILE 227 Ca 0.07 -1.24 0.06 0.00 1.00 0.00 0.00 64.86 64.75 2br2 h ILE 227 Cb 0.44 1.88 -0.06 0.00 -0.74 0.00 0.00 36.82 38.35 2br2 h ILE 227 CO 0.02 0.36 0.45 0.40 0.00 0.00 0.00 178.15 179.38 2br2 h ILE 228 N -0.08 1.01 -0.56 -0.67 2.04 -1.10 -2.80 117.51 115.36 2br2 h ILE 228 Ca 0.02 -0.28 0.04 0.00 1.00 0.00 0.00 64.86 65.64 2br2 h ILE 228 Cb 0.62 0.11 -0.04 0.00 -0.74 0.00 0.00 36.82 36.77 2br2 h ILE 228 CO 0.03 0.15 0.31 0.22 0.00 0.00 0.00 178.15 178.86 2br2 h TYR 229 N 0.83 0.58 -0.23 1.37 3.20 -0.89 -0.32 116.97 121.50 2br2 h TYR 229 Ca 0.33 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.21 2br2 h TYR 229 Cb 0.16 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.24 2br2 h TYR 229 CO -0.05 0.30 0.08 -0.91 -1.64 0.00 0.00 178.16 175.94 2br2 h ASN 230 N 0.61 0.28 -0.11 -2.11 2.35 -1.24 -0.80 115.58 114.56 2br2 h ASN 230 Ca 0.24 -0.02 -0.19 0.00 -0.55 0.00 0.00 56.30 55.78 2br2 h ASN 230 Cb 0.10 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.40 2br2 h ASN 230 CO -0.14 0.27 -0.64 -0.07 -1.65 0.00 0.00 177.43 175.21 2br2 h LEU 231 N 0.32 0.83 -0.45 1.61 3.38 -1.09 -2.32 115.31 117.58 2br2 h LEU 231 Ca 0.08 -0.48 -0.01 0.00 0.09 0.00 0.00 57.88 57.56 2br2 h LEU 231 Cb 0.08 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 2br2 h LEU 231 CO -0.01 1.26 0.25 -0.33 0.09 0.00 0.00 178.44 179.70 2br2 h GLU 232 N 0.53 0.63 -0.82 1.13 5.08 -0.40 0.94 114.58 121.67 2br2 h GLU 232 Ca -0.01 -0.07 0.06 0.00 -1.00 0.00 0.00 59.36 58.33 2br2 h GLU 232 Cb 1.23 -0.12 -0.06 0.00 0.50 0.00 0.00 28.75 30.30 2br2 h GLU 232 CO 0.13 0.49 0.50 0.00 -1.00 0.00 0.00 179.01 179.14 2br2 h ARG 233 N 0.59 0.90 -0.35 2.33 3.08 -1.12 -1.63 114.38 118.18 2br2 h ARG 233 Ca 0.16 -0.05 -0.13 0.00 0.07 0.00 0.00 59.98 60.02 2br2 h ARG 233 Cb 0.05 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 29.89 2br2 h ARG 233 CO -0.03 0.60 -0.30 1.49 -1.07 0.00 0.00 179.97 180.66 2br2 h GLU 234 N 0.93 0.82 0.00 0.04 4.57 -1.07 -2.84 114.58 117.03 2br2 h GLU 234 Ca 0.35 -0.42 -0.02 0.00 -1.18 0.00 0.00 59.36 58.10 2br2 h GLU 234 Cb 0.14 0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 28.74 2br2 h GLU 234 CO -0.16 1.05 -0.07 0.00 -1.18 0.00 0.00 179.01 178.64 2br2 h ALA 235 N 0.75 1.62 -0.42 2.92 0.00 -0.37 -1.01 119.26 122.76 2br2 h ALA 235 Ca 0.06 -0.07 -0.14 0.00 0.00 0.00 0.00 54.91 54.77 2br2 h ALA 235 Cb 0.88 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 2br2 h ALA 235 CO 0.08 0.09 -0.29 1.25 0.00 0.00 0.00 179.25 180.38 2br2 h LEU 236 N 0.00 0.94 0.04 0.00 5.85 -1.06 0.37 115.31 121.45 2br2 h LEU 236 Ca -0.00 -0.38 -0.00 0.00 0.84 0.00 0.00 57.88 58.33 2br2 h LEU 236 Cb 0.15 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 40.92 2br2 h LEU 236 CO 0.01 1.16 -0.02 0.11 -0.34 0.00 0.00 178.44 179.36 2br2 h LYS 237 N 0.77 -0.06 -0.00 1.25 1.57 -1.30 -3.39 116.57 115.41 2br2 h LYS 237 Ca 0.09 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 2br2 h LYS 237 Cb 0.86 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.18 2br2 h LYS 237 CO 0.08 0.55 -0.63 -1.13 -0.57 0.00 0.00 179.45 177.75 2br2 n SER 238 N -4.74 0.71 0.00 0.86 3.41 -0.46 -4.96 113.62 108.44 2br2 n SER 238 Ca -0.07 -0.53 0.00 0.00 -0.26 0.00 0.00 58.87 58.01 2br2 n SER 238 Cb 0.31 0.47 0.00 0.00 -0.26 0.00 0.00 64.21 64.72 2br2 n SER 238 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2br2 n LYS 239 N -1.42 0.00 -3.70 4.33 4.01 0.12 -4.92 118.16 116.58 2br2 n LYS 239 Ca 0.06 0.00 -0.11 0.00 -0.51 0.00 0.00 58.31 57.74 2br2 n LYS 239 Cb 0.34 -2.34 -0.12 0.00 -0.51 0.00 0.00 35.03 32.40 2br2 n LYS 239 CO 0.00 0.00 0.00 -0.47 -1.11 0.00 0.00 177.40 175.82 2br2 s TYR 240 N -2.23 -0.52 -0.05 2.13 5.04 -1.26 -1.32 117.35 119.14 2br2 s TYR 240 Ca 0.00 1.12 -0.02 0.00 -2.44 0.00 0.00 57.07 55.74 2br2 s TYR 240 Cb 0.00 0.18 0.04 0.00 0.35 0.00 0.00 41.96 42.52 2br2 s TYR 240 CO 0.00 -0.32 0.10 0.08 -1.34 0.00 0.00 175.55 174.07 2br2 s VAL 241 N 1.52 -0.06 0.01 3.14 1.01 0.32 -4.83 120.40 121.51 2br2 s VAL 241 Ca -0.08 0.21 0.08 0.00 0.00 0.00 0.00 61.98 62.19 2br2 s VAL 241 Cb -0.10 -0.18 -0.03 0.00 0.00 0.00 0.00 36.38 36.08 2br2 s VAL 241 CO -0.11 0.09 -0.24 -1.61 0.00 0.00 0.00 175.10 173.23 2br2 s GLU 242 N 1.22 2.04 -0.17 2.72 2.02 -1.26 -0.73 118.70 124.54 2br2 s GLU 242 Ca -0.08 -0.97 -0.04 0.00 0.02 0.00 0.00 54.97 53.89 2br2 s GLU 242 Cb -0.12 -2.08 0.08 0.00 0.10 0.00 0.00 34.13 32.11 2br2 s GLU 242 CO -0.05 0.55 0.27 0.12 0.02 0.00 0.00 175.26 176.17 2br2 s PHE 243 N -0.74 -0.45 0.43 1.61 5.36 0.06 -5.00 117.98 119.26 2br2 s PHE 243 Ca 0.11 0.77 -0.22 0.00 -0.96 0.00 0.00 56.93 56.63 2br2 s PHE 243 Cb -0.10 -0.11 -0.09 0.00 -0.34 0.00 0.00 43.02 42.38 2br2 s PHE 243 CO 0.01 -0.48 1.03 -1.59 -1.46 0.00 0.00 175.22 172.74 2br2 s LYS 244 N 2.42 4.04 0.15 10.12 -2.85 -1.26 -0.70 119.74 131.66 2br2 s LYS 244 Ca 0.04 1.41 -0.31 0.00 -1.00 0.00 0.00 55.97 56.10 2br2 s LYS 244 Cb -0.13 -2.34 -0.18 0.00 -2.06 0.00 0.00 37.83 33.12 2br2 s LYS 244 CO -0.11 -0.23 0.71 0.39 0.10 0.00 0.00 175.35 176.21 2br2 n GLU 245 N -0.46 0.10 -3.61 1.78 1.02 -1.26 -4.83 120.64 113.38 2br2 n GLU 245 Ca 0.07 0.04 -0.05 0.00 -0.02 0.00 0.00 57.16 57.19 2br2 n GLU 245 Cb 0.51 -1.20 -0.02 0.00 -0.02 0.00 0.00 31.44 30.71 2br2 n GLU 245 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 2br2 s GLU 246 N -0.74 0.85 0.31 3.49 -1.05 -1.23 -5.00 118.70 115.34 2br2 s GLU 246 Ca 0.71 -0.40 -0.29 0.00 -0.15 0.00 0.00 54.97 54.84 2br2 s GLU 246 Cb -1.01 0.34 -0.11 0.00 -0.44 0.00 0.00 34.13 32.92 2br2 s GLU 246 CO 0.56 -0.38 1.47 0.20 0.95 0.00 0.00 175.26 178.06 2br2 s GLY 247 N -2.66 2.58 0.00 -3.83 0.00 -1.26 -2.76 107.32 99.39 2br2 s GLY 247 Ca 0.09 1.45 0.18 0.00 0.00 0.00 0.00 44.72 46.44 2br2 s GLY 247 CO -0.04 2.27 1.48 -0.62 0.00 0.00 0.00 173.10 176.19