#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 4.16 0.63 5.31 1.70 -1.26 -5.07 118.95 124.43 2br2 s ARG 9 Ca 0.00 0.22 -0.17 0.00 -0.47 0.00 0.00 55.73 55.30 2br2 s ARG 9 Cb 0.00 -3.38 -0.02 0.00 -0.57 0.00 0.00 34.95 30.99 2br2 s ARG 9 CO 0.00 0.34 1.19 -2.14 -1.08 0.00 0.00 175.30 173.61 2br2 s PRO 10 N 0.13 2.78 -0.12 3.89 0.02 -1.26 -4.98 135.00 135.46 2br2 s PRO 10 Ca 0.20 1.75 -0.29 0.00 0.02 0.00 0.00 61.00 62.67 2br2 s PRO 10 Cb -0.14 -1.91 -0.02 0.00 0.02 0.00 0.00 34.50 32.44 2br2 s PRO 10 CO 0.07 -1.33 1.24 0.21 -0.33 0.00 0.00 177.00 176.86 2br2 s LYS 11 N -3.55 4.28 0.07 5.54 2.20 -1.26 -4.94 119.74 122.07 2br2 s LYS 11 Ca 0.75 1.67 0.15 0.00 -0.36 0.00 0.00 55.97 58.18 2br2 s LYS 11 Cb -0.29 -3.69 -0.14 0.00 -1.51 0.00 0.00 37.83 32.20 2br2 s LYS 11 CO 0.36 -0.61 0.90 -0.07 -0.36 0.00 0.00 175.35 175.57 2br2 h LEU 12 N 9.15 0.00 -7.94 5.43 3.38 -1.93 -3.44 115.31 119.95 2br2 h LEU 12 Ca -0.29 0.00 -0.62 0.00 0.09 0.00 0.00 57.88 57.06 2br2 h LEU 12 Cb 1.13 0.00 -0.36 0.00 0.09 0.00 0.00 40.66 41.52 2br2 h LEU 12 CO 0.94 0.72 -0.84 -0.63 0.09 0.00 0.00 178.44 178.71 2br2 s ILE 13 N -2.82 1.69 0.70 1.22 1.09 -1.26 -3.76 121.20 118.05 2br2 s ILE 13 Ca -0.02 -0.71 -0.07 0.00 -1.10 0.00 0.00 60.65 58.75 2br2 s ILE 13 Cb 0.08 -1.56 0.05 0.00 -1.06 0.00 0.00 42.46 39.98 2br2 s ILE 13 CO 0.81 0.48 1.01 -0.76 -0.10 0.00 0.00 174.94 176.38 2br2 s LEU 14 N 1.39 2.85 0.53 2.97 1.43 0.10 -4.89 118.68 123.07 2br2 s LEU 14 Ca 0.04 0.54 0.27 0.00 -1.03 0.00 0.00 54.13 53.95 2br2 s LEU 14 Cb -0.13 -3.21 1.51 0.00 0.03 0.00 0.00 46.19 44.39 2br2 s LEU 14 CO -0.10 -1.54 2.12 0.44 0.23 0.00 0.00 176.35 177.50 2br2 h ASP 15 N -0.58 0.00 0.00 2.29 5.19 -2.01 0.22 116.42 121.54 2br2 h ASP 15 Ca -0.45 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.96 2br2 h ASP 15 Cb 1.31 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.82 2br2 h ASP 15 CO 0.61 0.09 0.00 -0.90 -3.12 0.00 0.00 179.24 175.92 2br2 n ASP 16 N -3.77 0.00 -0.00 6.45 3.85 -1.26 -4.85 116.55 116.96 2br2 n ASP 16 Ca -0.02 -1.56 -0.00 0.00 -0.71 0.00 0.00 54.79 52.50 2br2 n ASP 16 Cb 0.19 0.00 -0.00 0.00 -1.35 0.00 0.00 41.12 39.96 2br2 n ASP 16 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2br2 n GLY 17 N 0.64 0.44 3.82 6.12 0.00 0.77 -5.05 105.19 111.94 2br2 n GLY 17 Ca 0.09 -0.51 -0.22 0.00 0.00 0.00 0.00 46.02 45.38 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 -0.94 2.79 0.69 1.61 1.02 -1.22 -4.55 119.74 119.14 2br2 s LYS 18 Ca 0.00 -1.19 -0.02 0.00 0.02 0.00 0.00 55.97 54.77 2br2 s LYS 18 Cb 0.00 -2.49 0.09 0.00 -0.52 0.00 0.00 37.83 34.91 2br2 s LYS 18 CO 0.00 0.26 0.96 1.03 -0.92 0.00 0.00 175.35 176.67 2br2 s ARG 19 N -3.90 1.95 0.53 1.68 0.52 0.15 0.01 118.95 119.89 2br2 s ARG 19 Ca 0.36 -0.81 0.20 0.00 -0.52 0.00 0.00 55.73 54.96 2br2 s ARG 19 Cb -0.07 -2.31 1.38 0.00 0.52 0.00 0.00 34.95 34.47 2br2 s ARG 19 CO 0.25 -1.27 2.15 1.79 0.02 0.00 0.00 175.30 178.25 2br2 h THR 20 N -0.45 0.87 -0.35 0.02 1.35 -1.86 -0.40 112.91 112.09 2br2 h THR 20 Ca -0.40 -0.13 0.00 0.00 -0.55 0.00 0.00 66.41 65.33 2br2 h THR 20 Cb 1.28 1.07 0.00 0.00 -1.73 0.00 0.00 68.15 68.78 2br2 h THR 20 CO 0.47 0.04 0.00 -0.90 -0.25 0.00 0.00 175.52 174.88 2br2 n ASP 21 N -4.28 2.72 0.00 5.36 3.85 -1.26 -4.94 116.55 118.00 2br2 n ASP 21 Ca -0.03 -1.90 0.00 0.00 -0.71 0.00 0.00 54.79 52.15 2br2 n ASP 21 Cb 0.12 -0.23 0.00 0.00 -1.35 0.00 0.00 41.12 39.66 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 1.35 0.84 3.80 6.12 0.00 -0.16 -5.06 105.19 112.08 2br2 n GLY 22 Ca 0.18 0.00 -0.34 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 -0.66 3.64 0.62 1.61 0.52 -1.26 -4.63 118.95 118.78 2br2 s ARG 23 Ca 0.00 1.31 -0.12 0.00 -0.52 0.00 0.00 55.73 56.41 2br2 s ARG 23 Cb 0.00 -2.07 -0.04 0.00 0.52 0.00 0.00 34.95 33.36 2br2 s ARG 23 CO 0.00 -0.56 1.03 0.15 0.02 0.00 0.00 175.30 175.94 2br2 s LYS 24 N -3.51 3.57 0.54 3.54 1.02 -1.26 -0.67 119.74 122.96 2br2 s LYS 24 Ca 0.66 0.80 0.29 0.00 0.02 0.00 0.00 55.97 57.74 2br2 s LYS 24 Cb -0.16 -2.08 1.45 0.00 -0.52 0.00 0.00 37.83 36.52 2br2 s LYS 24 CO 0.26 -0.59 1.94 -1.35 -0.92 0.00 0.00 175.35 174.68 2br2 h PRO 25 N -0.21 0.00 -0.69 -1.68 0.11 -1.89 -1.69 132.00 125.95 2br2 h PRO 25 Ca -0.44 0.00 -0.21 0.00 0.11 0.00 0.00 66.00 65.45 2br2 h PRO 25 Cb 1.19 0.00 -0.13 0.00 0.11 0.00 0.00 31.00 32.17 2br2 h PRO 25 CO 0.61 0.00 0.25 -0.40 -0.21 0.00 0.00 178.00 178.25 2br2 n ASP 26 N -4.26 4.52 -4.53 -2.05 5.75 -1.26 -0.48 116.55 114.24 2br2 n ASP 26 Ca 0.13 -3.28 -0.34 0.00 -0.01 0.00 0.00 54.79 51.30 2br2 n ASP 26 Cb 0.77 -0.73 -0.12 0.00 -1.03 0.00 0.00 41.12 40.02 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 -3.03 3.61 0.53 0.11 2.02 -0.64 -0.79 118.70 120.52 2br2 s GLU 27 Ca 0.54 -0.49 -0.17 0.00 0.02 0.00 0.00 54.97 54.86 2br2 s GLU 27 Cb 0.43 -2.92 -0.07 0.00 0.10 0.00 0.00 34.13 31.67 2br2 s GLU 27 CO 0.12 0.30 1.02 -0.51 0.02 0.00 0.00 175.26 176.21 2br2 s LEU 28 N 0.20 3.64 1.02 1.80 1.43 -1.13 -4.73 118.68 120.91 2br2 s LEU 28 Ca -0.01 1.75 -0.13 0.00 -1.03 0.00 0.00 54.13 54.70 2br2 s LEU 28 Cb -0.14 -4.53 0.20 0.00 0.03 0.00 0.00 46.19 41.75 2br2 s LEU 28 CO 0.03 -0.83 1.10 -0.13 0.23 0.00 0.00 176.35 176.75 2br2 s ARG 29 N -3.83 0.26 0.55 1.70 0.52 -1.26 -3.58 118.95 113.30 2br2 s ARG 29 Ca 0.63 0.38 -0.20 0.00 -0.52 0.00 0.00 55.73 56.01 2br2 s ARG 29 Cb -0.13 -1.73 -0.05 0.00 0.52 0.00 0.00 34.95 33.56 2br2 s ARG 29 CO 0.30 -2.82 1.20 -1.54 0.02 0.00 0.00 175.30 172.46 2br2 s SER 30 N -3.61 5.51 -0.03 0.23 1.04 -1.26 -4.54 113.70 111.04 2br2 s SER 30 Ca 0.66 2.36 0.07 0.00 0.48 0.00 0.00 55.95 59.52 2br2 s SER 30 Cb -0.17 -2.60 -0.02 0.00 0.10 0.00 0.00 66.02 63.34 2br2 s SER 30 CO 0.57 -1.37 -0.24 -0.63 0.98 0.00 0.00 173.24 172.54 2br2 s ILE 31 N -1.60 1.95 -0.03 -1.02 1.01 0.00 -0.30 121.20 121.22 2br2 s ILE 31 Ca 0.73 -1.04 0.01 0.00 0.00 0.00 0.00 60.65 60.35 2br2 s ILE 31 Cb -0.29 -1.63 0.02 0.00 0.01 0.00 0.00 42.46 40.57 2br2 s ILE 31 CO 0.33 0.55 -0.01 -0.75 0.00 0.00 0.00 174.94 175.06 2br2 s LYS 32 N -0.44 0.36 -0.03 2.79 2.20 -0.43 -0.57 119.74 123.62 2br2 s LYS 32 Ca 0.05 0.02 0.01 0.00 -0.36 0.00 0.00 55.97 55.69 2br2 s LYS 32 Cb -0.11 -0.48 0.02 0.00 -1.51 0.00 0.00 37.83 35.75 2br2 s LYS 32 CO 0.00 -0.09 -0.01 0.42 -0.36 0.00 0.00 175.35 175.31 2br2 s ILE 33 N 0.81 0.27 0.02 5.43 1.01 -0.05 0.08 121.20 128.77 2br2 s ILE 33 Ca -0.08 0.02 0.00 0.00 0.00 0.00 0.00 60.65 60.58 2br2 s ILE 33 Cb -0.12 -0.34 -0.02 0.00 0.01 0.00 0.00 42.46 42.00 2br2 s ILE 33 CO -0.01 0.16 -0.03 -1.83 0.00 0.00 0.00 174.94 173.22 2br2 s GLU 34 N 0.89 0.31 0.23 2.79 -1.05 -0.48 -0.59 118.70 120.81 2br2 s GLU 34 Ca -0.10 -0.59 0.10 0.00 -0.15 0.00 0.00 54.97 54.23 2br2 s GLU 34 Cb -0.13 0.08 -0.04 0.00 -0.44 0.00 0.00 34.13 33.60 2br2 s GLU 34 CO -0.01 -0.04 -0.11 -0.51 0.95 0.00 0.00 175.26 175.53 2br2 s LEU 35 N -1.40 2.88 -1.11 1.83 1.02 -0.48 -0.27 118.68 121.14 2br2 s LEU 35 Ca -0.15 -0.75 -0.07 0.00 0.02 0.00 0.00 54.13 53.18 2br2 s LEU 35 Cb -0.10 -1.47 0.01 0.00 0.02 0.00 0.00 46.19 44.65 2br2 s LEU 35 CO -0.01 0.06 0.86 0.61 0.02 0.00 0.00 176.35 177.89 2br2 n GLY 36 N -0.40 -0.25 0.14 -3.19 0.00 0.59 -4.90 105.19 97.18 2br2 n GLY 36 Ca -0.08 0.05 0.12 0.00 0.00 0.00 0.00 46.02 46.10 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 -1.97 0.00 -3.35 1.61 3.04 -1.86 -3.45 116.25 110.28 2br2 h VAL 37 Ca -0.45 -0.96 -0.64 0.00 -1.01 0.00 0.00 66.70 63.64 2br2 h VAL 37 Cb 1.29 1.63 -0.22 0.00 -2.01 0.00 0.00 31.29 31.98 2br2 h VAL 37 CO 0.45 0.00 -0.67 -0.76 -1.01 0.00 0.00 177.57 175.58 2br2 s LEU 38 N -5.54 3.22 0.06 3.16 1.43 -1.26 -5.03 118.68 114.72 2br2 s LEU 38 Ca 0.02 -0.17 -0.17 0.00 -1.03 0.00 0.00 54.13 52.79 2br2 s LEU 38 Cb 0.08 -1.79 -0.17 0.00 0.03 0.00 0.00 46.19 44.34 2br2 s LEU 38 CO 0.75 0.13 1.25 0.11 0.23 0.00 0.00 176.35 178.82 2br2 h LYS 39 N 7.00 0.59 -0.52 1.70 6.56 -2.01 -3.30 116.57 126.59 2br2 h LYS 39 Ca -0.33 -0.47 0.00 0.00 -1.06 0.00 0.00 60.65 58.79 2br2 h LYS 39 Cb 1.19 0.09 0.00 0.00 -0.57 0.00 0.00 32.23 32.94 2br2 h LYS 39 CO 0.62 1.09 0.00 0.09 -2.06 0.00 0.00 179.45 179.19 2br2 n ASN 40 N -4.17 2.61 -4.68 0.86 3.02 -1.26 -4.85 115.26 106.78 2br2 n ASN 40 Ca -0.08 -2.16 -0.23 0.00 -0.03 0.00 0.00 54.58 52.08 2br2 n ASN 40 Cb 0.62 -0.38 -0.07 0.00 -0.61 0.00 0.00 39.78 39.35 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 -1.62 3.24 0.05 5.41 0.00 -1.25 -5.03 121.76 122.56 2br2 s ALA 41 Ca 0.28 -1.56 0.14 0.00 0.00 0.00 0.00 51.96 50.82 2br2 s ALA 41 Cb 0.17 -0.91 0.23 0.00 0.00 0.00 0.00 23.12 22.61 2br2 s ALA 41 CO 0.15 0.30 1.52 -0.44 0.00 0.00 0.00 175.76 177.29 2br2 h ASP 42 N 1.97 0.00 -4.86 0.00 3.32 -1.42 -3.46 116.42 111.98 2br2 h ASP 42 Ca -0.46 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.53 2br2 h ASP 42 Cb 1.24 0.00 -0.19 0.00 0.22 0.00 0.00 39.33 40.60 2br2 h ASP 42 CO 0.60 0.59 0.16 -0.83 -1.72 0.00 0.00 179.24 178.03 2br2 s GLY 43 N -4.48 -0.55 -0.08 2.75 0.00 -1.04 -3.80 107.32 100.12 2br2 s GLY 43 Ca 0.02 1.37 -0.26 0.00 0.00 0.00 0.00 44.72 45.84 2br2 s GLY 43 CO 0.75 1.03 0.60 -1.35 0.00 0.00 0.00 173.10 174.12 2br2 s SER 44 N -0.98 -0.57 -0.04 1.64 1.04 -1.25 0.12 113.70 113.66 2br2 s SER 44 Ca -0.10 0.70 -0.14 0.00 0.48 0.00 0.00 55.95 56.89 2br2 s SER 44 Cb -0.01 0.63 0.03 0.00 0.10 0.00 0.00 66.02 66.77 2br2 s SER 44 CO 0.08 -0.51 0.32 0.00 0.98 0.00 0.00 173.24 174.12 2br2 s ALA 45 N -0.94 -0.81 -0.17 5.32 0.00 -0.72 -0.30 121.76 124.14 2br2 s ALA 45 Ca -0.09 0.51 -0.03 0.00 0.00 0.00 0.00 51.96 52.34 2br2 s ALA 45 Cb -0.02 -0.09 -0.02 0.00 0.00 0.00 0.00 23.12 22.98 2br2 s ALA 45 CO 0.07 -0.24 -0.04 0.42 0.00 0.00 0.00 175.76 175.97 2br2 s ILE 46 N -0.93 3.73 -0.08 0.00 1.01 0.63 -0.92 121.20 124.64 2br2 s ILE 46 Ca -0.10 -0.41 0.05 0.00 0.00 0.00 0.00 60.65 60.19 2br2 s ILE 46 Cb -0.04 -2.64 -0.01 0.00 0.01 0.00 0.00 42.46 39.78 2br2 s ILE 46 CO 0.03 0.48 -0.24 0.12 0.00 0.00 0.00 174.94 175.33 2br2 s PHE 47 N 0.61 2.53 -0.11 3.97 5.36 -0.44 -1.38 117.98 128.52 2br2 s PHE 47 Ca -0.03 -0.88 0.01 0.00 -0.96 0.00 0.00 56.93 55.07 2br2 s PHE 47 Cb -0.14 -1.67 0.02 0.00 -0.34 0.00 0.00 43.02 40.88 2br2 s PHE 47 CO 0.03 -0.32 -0.14 -1.21 -1.46 0.00 0.00 175.22 172.12 2br2 s GLU 48 N 0.12 2.13 -0.27 10.12 2.02 0.11 -1.29 118.70 131.63 2br2 s GLU 48 Ca -0.12 -0.52 -0.02 0.00 0.02 0.00 0.00 54.97 54.33 2br2 s GLU 48 Cb -0.16 -1.87 0.04 0.00 0.10 0.00 0.00 34.13 32.24 2br2 s GLU 48 CO 0.07 -0.11 -0.03 -1.64 0.02 0.00 0.00 175.26 173.56 2br2 s MET 49 N 1.14 2.63 4.69 1.61 -1.94 0.09 -1.31 119.30 126.21 2br2 s MET 49 Ca -0.04 -1.12 0.00 0.00 -1.71 0.00 0.00 55.69 52.82 2br2 s MET 49 Cb -0.14 -3.09 0.00 0.00 2.01 0.00 0.00 34.83 33.61 2br2 s MET 49 CO -0.04 -0.51 0.00 0.41 -0.01 0.00 0.00 175.02 174.87 2br2 n GLY 50 N 4.65 3.43 0.72 -0.03 0.00 0.59 -0.47 105.19 114.08 2br2 n GLY 50 Ca -0.15 0.21 0.13 0.00 0.00 0.00 0.00 46.02 46.21 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 5.90 2.25 -4.66 1.61 3.02 -1.26 -4.84 115.26 117.27 2br2 n ASN 51 Ca 0.00 -1.75 -0.41 0.00 -0.03 0.00 0.00 54.58 52.39 2br2 n ASN 51 Cb 0.00 -0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.12 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 -2.00 4.91 -0.05 3.41 2.01 0.38 -4.28 115.64 120.02 2br2 s THR 52 Ca 0.33 1.50 0.01 0.00 0.31 0.00 0.00 61.69 63.83 2br2 s THR 52 Cb 0.21 -4.08 0.02 0.00 0.01 0.00 0.00 72.50 68.66 2br2 s THR 52 CO 0.32 0.03 -0.04 -0.54 -0.69 0.00 0.00 174.62 173.69 2br2 s LYS 53 N 2.25 0.86 0.05 4.92 1.02 0.17 -0.73 119.74 128.28 2br2 s LYS 53 Ca 0.35 -0.09 0.05 0.00 0.02 0.00 0.00 55.97 56.31 2br2 s LYS 53 Cb -0.16 -0.93 -0.02 0.00 -0.52 0.00 0.00 37.83 36.19 2br2 s LYS 53 CO 0.11 -0.13 -0.15 0.00 -0.92 0.00 0.00 175.35 174.25 2br2 s ALA 54 N 1.15 1.29 -0.04 5.17 0.00 -0.41 0.15 121.76 129.06 2br2 s ALA 54 Ca -0.07 -0.90 0.05 0.00 0.00 0.00 0.00 51.96 51.03 2br2 s ALA 54 Cb -0.14 -0.20 -0.02 0.00 0.00 0.00 0.00 23.12 22.76 2br2 s ALA 54 CO -0.01 0.25 -0.18 -1.50 0.00 0.00 0.00 175.76 174.31 2br2 s ILE 55 N -0.91 2.75 -0.00 0.00 2.07 -0.36 -1.32 121.20 123.42 2br2 s ILE 55 Ca 0.02 -0.84 0.04 0.00 -1.41 0.00 0.00 60.65 58.47 2br2 s ILE 55 Cb -0.08 -2.05 -0.01 0.00 0.13 0.00 0.00 42.46 40.45 2br2 s ILE 55 CO 0.02 0.59 -0.14 0.00 -1.91 0.00 0.00 174.94 173.49 2br2 s ALA 56 N -0.64 1.16 -0.02 1.50 0.00 -0.10 -0.90 121.76 122.78 2br2 s ALA 56 Ca 0.10 -0.64 0.05 0.00 0.00 0.00 0.00 51.96 51.46 2br2 s ALA 56 Cb -0.11 -0.28 -0.01 0.00 0.00 0.00 0.00 23.12 22.73 2br2 s ALA 56 CO 0.00 0.27 -0.15 0.00 0.00 0.00 0.00 175.76 175.88 2br2 s ALA 57 N -0.42 1.30 -0.11 0.00 0.00 0.09 -1.75 121.76 120.86 2br2 s ALA 57 Ca 0.05 -0.66 0.02 0.00 0.00 0.00 0.00 51.96 51.37 2br2 s ALA 57 Cb -0.06 -0.34 -0.01 0.00 0.00 0.00 0.00 23.12 22.71 2br2 s ALA 57 CO -0.00 0.31 -0.18 0.08 0.00 0.00 0.00 175.76 175.97 2br2 s VAL 58 N -0.31 2.63 -0.39 0.00 1.01 0.12 -0.73 120.40 122.73 2br2 s VAL 58 Ca 0.05 -0.82 -0.05 0.00 0.00 0.00 0.00 61.98 61.15 2br2 s VAL 58 Cb -0.07 -2.06 0.08 0.00 0.00 0.00 0.00 36.38 34.33 2br2 s VAL 58 CO -0.00 0.54 0.18 -0.31 0.00 0.00 0.00 175.10 175.51 2br2 s TYR 59 N 0.28 3.40 1.31 5.22 1.51 0.04 -1.05 117.35 128.07 2br2 s TYR 59 Ca -0.13 -1.87 -0.20 0.00 -1.01 0.00 0.00 57.07 53.86 2br2 s TYR 59 Cb -0.16 -2.82 0.31 0.00 -0.11 0.00 0.00 41.96 39.17 2br2 s TYR 59 CO 0.07 -0.87 0.71 0.41 -1.11 0.00 0.00 175.55 174.76 2br2 n GLY 60 N 4.75 -3.29 3.67 0.71 0.00 -1.26 -2.54 105.19 107.23 2br2 n GLY 60 Ca -0.08 -1.38 -0.46 0.00 0.00 0.00 0.00 46.02 44.10 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 -4.50 2.18 -3.72 1.61 -0.02 -1.26 -4.69 135.00 124.60 2br2 n PRO 61 Ca 0.10 0.79 -0.14 0.00 -2.02 0.00 0.00 63.50 62.23 2br2 n PRO 61 Cb 0.52 -2.58 -0.09 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 1.71 0.63 0.24 -0.52 -2.85 -0.97 -4.95 119.74 113.04 2br2 s LYS 62 Ca 0.82 0.22 -0.29 0.00 -1.00 0.00 0.00 55.97 55.72 2br2 s LYS 62 Cb -0.67 0.29 -0.15 0.00 -2.06 0.00 0.00 37.83 35.24 2br2 s LYS 62 CO 0.41 -0.14 0.98 0.39 0.10 0.00 0.00 175.35 177.08 2br2 n GLU 63 N 1.97 1.10 -3.54 1.78 1.02 -1.26 -0.41 120.64 121.29 2br2 n GLU 63 Ca -0.17 0.39 -0.37 0.00 -0.02 0.00 0.00 57.16 56.99 2br2 n GLU 63 Cb 0.57 -1.73 -0.07 0.00 -0.02 0.00 0.00 31.44 30.18 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 -1.17 4.20 0.00 3.49 1.75 -1.19 -4.70 119.30 121.69 2br2 s MET 64 Ca 0.63 0.12 0.00 0.00 -1.25 0.00 0.00 55.69 55.20 2br2 s MET 64 Cb -0.78 -3.40 0.00 0.00 2.84 0.00 0.00 34.83 33.49 2br2 s MET 64 CO 0.57 0.29 0.67 -2.39 -0.65 0.00 0.00 175.02 173.51 2br2 n HIS 65 N 3.40 0.00 -3.23 4.11 1.44 -1.26 -3.88 115.22 115.80 2br2 n HIS 65 Ca -0.12 0.00 -0.41 0.00 -2.01 0.00 0.00 57.72 55.18 2br2 n HIS 65 Cb 0.52 -0.19 -0.08 0.00 0.12 0.00 0.00 29.99 30.36 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 -1.79 3.64 0.43 -1.40 0.05 -1.26 -4.97 135.00 129.69 2br2 s PRO 66 Ca 0.00 -0.13 0.12 0.00 0.05 0.00 0.00 61.00 61.04 2br2 s PRO 66 Cb 0.00 -3.80 0.99 0.00 0.05 0.00 0.00 34.50 31.73 2br2 s PRO 66 CO 0.00 -0.64 1.99 -0.09 0.05 0.00 0.00 177.00 178.31 2br2 h ARG 67 N 8.45 0.44 0.00 4.56 2.43 -1.99 -1.44 114.38 126.82 2br2 h ARG 67 Ca -0.28 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 58.87 2br2 h ARG 67 Cb 1.12 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 30.57 2br2 h ARG 67 CO 0.78 0.29 -0.00 1.12 -1.51 0.00 0.00 179.97 180.65 2br2 h HIS 68 N 0.45 0.00 -0.01 2.20 2.07 -1.93 -0.44 115.15 117.50 2br2 h HIS 68 Ca 0.26 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.78 2br2 h HIS 68 Cb 0.44 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.42 2br2 h HIS 68 CO -0.00 0.00 -0.19 1.28 -3.07 0.00 0.00 177.93 175.95 2br2 n LEU 69 N -3.18 0.85 -4.96 6.12 4.77 -0.54 -4.89 117.00 115.16 2br2 n LEU 69 Ca -0.03 -0.18 -0.25 0.00 -0.03 0.00 0.00 56.01 55.53 2br2 n LEU 69 Cb 0.09 -0.14 0.10 0.00 -2.33 0.00 0.00 43.42 41.13 2br2 n LEU 69 CO 0.21 0.16 0.60 -0.94 -1.33 0.00 0.00 177.39 176.09 2br2 s SER 70 N -2.47 4.44 0.04 -1.43 1.04 -0.18 -4.99 113.70 110.16 2br2 s SER 70 Ca 0.26 0.07 0.08 0.00 0.48 0.00 0.00 55.95 56.85 2br2 s SER 70 Cb 0.20 -0.57 -0.03 0.00 0.10 0.00 0.00 66.02 65.72 2br2 s SER 70 CO 0.50 -1.81 -0.23 -0.76 0.98 0.00 0.00 173.24 171.92 2br2 s LEU 71 N -5.24 2.16 0.46 2.42 1.43 -1.26 -5.02 118.68 113.63 2br2 s LEU 71 Ca 0.64 -0.54 0.26 0.00 -1.03 0.00 0.00 54.13 53.46 2br2 s LEU 71 Cb -0.08 -1.09 0.62 0.00 0.03 0.00 0.00 46.19 45.68 2br2 s LEU 71 CO 0.45 0.20 1.71 1.55 0.23 0.00 0.00 176.35 180.49 2br2 h PRO 72 N 4.87 0.00 0.00 1.29 0.13 -1.97 -0.72 132.00 135.60 2br2 h PRO 72 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 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 0.44 0.02 -0.62 -0.40 -0.23 0.00 0.00 178.00 177.22 2br2 n ASP 73 N -3.11 1.32 -4.01 1.44 5.75 -1.26 -4.59 116.55 112.10 2br2 n ASP 73 Ca 0.03 -0.44 -0.08 0.00 -0.01 0.00 0.00 54.79 54.28 2br2 n ASP 73 Cb 0.48 1.09 -0.09 0.00 -1.03 0.00 0.00 41.12 41.57 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 -1.87 0.81 0.40 0.11 0.52 -1.26 -4.40 118.95 113.27 2br2 s ARG 74 Ca 0.01 -1.17 -0.17 0.00 -0.52 0.00 0.00 55.73 53.89 2br2 s ARG 74 Cb 0.05 0.28 -0.09 0.00 0.52 0.00 0.00 34.95 35.70 2br2 s ARG 74 CO 0.26 -0.22 0.85 0.00 0.02 0.00 0.00 175.30 176.21 2br2 s ALA 75 N -3.93 3.19 -0.21 2.13 0.00 -0.16 -2.87 121.76 119.91 2br2 s ALA 75 Ca 0.10 0.14 -0.15 0.00 0.00 0.00 0.00 51.96 52.06 2br2 s ALA 75 Cb 0.06 -2.94 -0.04 0.00 0.00 0.00 0.00 23.12 20.20 2br2 s ALA 75 CO -0.07 0.12 0.37 0.08 0.00 0.00 0.00 175.76 176.27 2br2 s VAL 76 N -2.21 5.21 -0.02 0.00 1.01 0.20 -4.93 120.40 119.66 2br2 s VAL 76 Ca 0.57 0.65 -0.24 0.00 0.00 0.00 0.00 61.98 62.96 2br2 s VAL 76 Cb -0.10 -3.70 -0.04 0.00 0.00 0.00 0.00 36.38 32.53 2br2 s VAL 76 CO 0.20 0.26 0.73 -0.76 0.00 0.00 0.00 175.10 175.53 2br2 s LEU 77 N 1.33 4.37 -0.21 3.92 1.43 -1.26 -0.68 118.68 127.58 2br2 s LEU 77 Ca 0.18 1.29 -0.00 0.00 -1.03 0.00 0.00 54.13 54.57 2br2 s LEU 77 Cb -0.15 -3.14 0.02 0.00 0.03 0.00 0.00 46.19 42.95 2br2 s LEU 77 CO 0.08 -0.07 -0.13 -0.13 0.23 0.00 0.00 176.35 176.32 2br2 s ARG 78 N 0.48 2.97 -0.04 1.70 0.52 -0.31 -4.94 118.95 119.32 2br2 s ARG 78 Ca 0.38 -0.86 0.06 0.00 -0.52 0.00 0.00 55.73 54.78 2br2 s ARG 78 Cb -0.19 -2.76 -0.01 0.00 0.52 0.00 0.00 34.95 32.51 2br2 s ARG 78 CO 0.20 -0.28 -0.21 0.08 0.02 0.00 0.00 175.30 175.12 2br2 s VAL 79 N 1.32 1.71 -0.18 3.52 1.01 -1.26 -0.25 120.40 126.27 2br2 s VAL 79 Ca 0.03 -0.89 0.01 0.00 0.00 0.00 0.00 61.98 61.13 2br2 s VAL 79 Cb -0.15 -1.45 0.03 0.00 0.00 0.00 0.00 36.38 34.82 2br2 s VAL 79 CO -0.09 0.48 -0.13 -0.60 0.00 0.00 0.00 175.10 174.77 2br2 s ARG 80 N -0.17 2.23 -0.25 2.72 3.52 -0.59 -4.91 118.95 121.50 2br2 s ARG 80 Ca -0.01 -0.72 -0.10 0.00 -0.13 0.00 0.00 55.73 54.77 2br2 s ARG 80 Cb -0.11 -2.29 -0.05 0.00 -1.56 0.00 0.00 34.95 30.93 2br2 s ARG 80 CO 0.02 -0.33 0.16 -0.47 -0.81 0.00 0.00 175.30 173.87 2br2 s TYR 81 N 1.42 3.27 -0.05 5.12 5.04 -1.26 -0.91 117.35 129.99 2br2 s TYR 81 Ca 0.02 0.16 -0.06 0.00 -2.44 0.00 0.00 57.07 54.74 2br2 s TYR 81 Cb -0.14 -2.30 0.01 0.00 0.35 0.00 0.00 41.96 39.88 2br2 s TYR 81 CO -0.10 -0.03 0.17 -1.58 -1.34 0.00 0.00 175.55 172.67 2br2 s HIS 82 N 1.30 -0.14 -0.20 4.97 5.65 -0.97 -4.82 115.29 121.08 2br2 s HIS 82 Ca 0.07 0.34 -0.06 0.00 0.25 0.00 0.00 55.06 55.66 2br2 s HIS 82 Cb -0.14 0.04 -0.03 0.00 -1.18 0.00 0.00 32.58 31.27 2br2 s HIS 82 CO 0.07 -0.13 0.03 -1.64 -0.65 0.00 0.00 174.74 172.41 2br2 s MET 83 N -0.22 3.74 0.55 2.88 1.00 -1.26 -0.02 119.30 125.97 2br2 s MET 83 Ca -0.03 -0.46 -0.21 0.00 0.00 0.00 0.00 55.69 54.99 2br2 s MET 83 Cb -0.03 -3.15 -0.05 0.00 0.00 0.00 0.00 34.83 31.60 2br2 s MET 83 CO 0.01 0.08 1.26 0.95 0.00 0.00 0.00 175.02 177.32 2br2 s THR 84 N 0.87 2.47 0.60 2.05 -4.23 -0.72 -4.83 115.64 111.84 2br2 s THR 84 Ca 0.02 0.33 0.30 0.00 -1.18 0.00 0.00 61.69 61.16 2br2 s THR 84 Cb -0.14 -3.16 0.36 0.00 1.34 0.00 0.00 72.50 70.91 2br2 s THR 84 CO 0.02 -0.03 2.09 -0.65 -0.54 0.00 0.00 174.62 175.51 2br2 h PRO 85 N 1.36 0.00 -0.48 3.99 0.11 -1.91 -1.75 132.00 133.33 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 0.57 0.00 0.05 1.97 -0.21 0.00 0.00 178.00 180.38 2br2 n PHE 86 N -3.71 1.68 0.52 0.65 1.16 -1.26 -2.09 117.46 114.41 2br2 n PHE 86 Ca 0.02 -0.93 0.12 0.00 -1.87 0.00 0.00 57.45 54.79 2br2 n PHE 86 Cb 0.34 -0.47 0.26 0.00 -1.61 0.00 0.00 39.48 37.99 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 2.74 0.00 -2.22 5.98 4.64 -1.46 -3.46 113.55 119.77 2br2 h SER 87 Ca 0.07 -0.09 -0.57 0.00 -0.47 0.00 0.00 61.79 60.72 2br2 h SER 87 Cb 1.84 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 63.80 2br2 h SER 87 CO 0.44 0.04 -0.56 0.42 -0.87 0.00 0.00 176.83 176.30 2br2 s THR 88 N -3.16 1.21 0.14 2.95 -4.23 -1.26 -0.36 115.64 110.93 2br2 s THR 88 Ca 0.08 -2.00 -0.13 0.00 -1.18 0.00 0.00 61.69 58.46 2br2 s THR 88 Cb 0.12 -2.58 -0.01 0.00 1.34 0.00 0.00 72.50 71.37 2br2 s THR 88 CO 0.67 0.00 1.56 0.44 -0.54 0.00 0.00 174.62 176.74 2br2 h ASP 89 N 1.78 0.86 -2.89 3.99 3.32 -1.92 -3.41 116.42 118.15 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 -0.23 -0.07 0.00 0.22 0.00 0.00 39.33 40.51 2br2 h ASP 89 CO 0.70 1.01 -0.36 -1.61 -1.72 0.00 0.00 179.24 177.26 2br2 s GLU 90 N -4.83 3.76 0.09 3.56 2.02 -1.26 -5.04 118.70 117.00 2br2 s GLU 90 Ca -0.12 0.10 -0.31 0.00 0.02 0.00 0.00 54.97 54.66 2br2 s GLU 90 Cb 0.11 -3.24 -0.09 0.00 0.10 0.00 0.00 34.13 31.01 2br2 s GLU 90 CO 0.83 0.66 1.77 0.50 0.02 0.00 0.00 175.26 179.04 2br2 s ARG 91 N -0.80 4.16 0.17 1.61 3.52 -1.26 -4.92 118.95 121.44 2br2 s ARG 91 Ca 0.18 2.49 -0.30 0.00 -0.13 0.00 0.00 55.73 57.97 2br2 s ARG 91 Cb -0.14 -3.66 -0.07 0.00 -1.56 0.00 0.00 34.95 29.52 2br2 s ARG 91 CO 0.07 -0.81 0.95 0.15 -0.81 0.00 0.00 175.30 174.85 2br2 s LYS 92 N 2.89 4.78 0.10 5.12 1.02 -0.89 -5.03 119.74 127.72 2br2 s LYS 92 Ca 0.79 1.47 -0.31 0.00 0.02 0.00 0.00 55.97 57.94 2br2 s LYS 92 Cb -0.43 -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 1.66 1.21 -0.92 0.00 0.00 175.35 178.02 2br2 s ASN 93 N -0.59 6.57 0.56 2.83 3.84 -1.26 -4.29 114.94 122.60 2br2 s ASN 93 Ca 0.44 2.56 0.32 0.00 0.21 0.00 0.00 52.86 56.39 2br2 s ASN 93 Cb -0.25 -2.57 1.68 0.00 -0.55 0.00 0.00 41.25 39.56 2br2 s ASN 93 CO 0.31 -0.89 2.14 1.55 -2.79 0.00 0.00 177.10 177.42 2br2 h PRO 94 N 8.01 0.00 -6.80 0.43 0.13 -1.96 -3.44 132.00 128.38 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 0.07 0.71 0.00 -0.23 0.00 0.00 178.00 179.48 2br2 n ALA 95 N -2.22 1.97 -2.05 -0.56 0.00 -1.26 -4.88 120.51 111.51 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 0.19 -2.37 -0.03 0.00 0.00 0.00 0.00 19.45 17.24 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 -1.33 4.37 0.49 0.00 0.02 -1.26 -5.00 135.00 132.28 2br2 s PRO 96 Ca 0.59 2.06 -0.04 0.00 0.02 0.00 0.00 61.00 63.64 2br2 s PRO 96 Cb -0.53 -3.21 -0.02 0.00 0.02 0.00 0.00 34.50 30.76 2br2 s PRO 96 CO 0.57 -0.30 0.76 -1.54 -0.33 0.00 0.00 177.00 176.16 2br2 s SER 97 N 0.53 6.03 0.31 2.53 1.04 -1.26 -4.91 113.70 117.96 2br2 s SER 97 Ca 0.59 0.70 0.05 0.00 0.48 0.00 0.00 55.95 57.77 2br2 s SER 97 Cb -0.37 -1.96 0.69 0.00 0.10 0.00 0.00 66.02 64.48 2br2 s SER 97 CO 0.36 -0.68 1.82 0.03 0.98 0.00 0.00 173.24 175.75 2br2 h ARG 98 N 0.22 0.81 -0.53 4.02 3.08 -1.99 0.73 114.38 120.72 2br2 h ARG 98 Ca -0.47 -0.05 0.03 0.00 0.07 0.00 0.00 59.98 59.57 2br2 h ARG 98 Cb 1.23 -0.18 -0.04 0.00 0.08 0.00 0.00 29.97 31.06 2br2 h ARG 98 CO 0.61 0.54 0.30 -0.09 -1.07 0.00 0.00 179.97 180.25 2br2 h ARG 99 N 0.84 0.58 -0.32 0.04 2.43 -1.99 -0.35 114.38 115.59 2br2 h ARG 99 Ca 0.52 -0.03 -0.12 0.00 -0.81 0.00 0.00 59.98 59.54 2br2 h ARG 99 Cb 0.72 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 30.13 2br2 h ARG 99 CO -0.30 0.38 -0.29 0.93 -1.51 0.00 0.00 179.97 179.18 2br2 h GLU 100 N 0.59 0.66 -0.16 0.20 5.08 -1.41 -0.63 114.58 118.92 2br2 h GLU 100 Ca 0.22 -0.29 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 2br2 h GLU 100 Cb 0.07 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 2br2 h GLU 100 CO -0.12 0.88 0.06 0.82 -1.00 0.00 0.00 179.01 179.65 2br2 h ILE 101 N 0.57 1.16 0.10 3.13 2.04 -0.66 -1.16 117.51 122.69 2br2 h ILE 101 Ca 0.07 -0.49 -0.00 0.00 1.00 0.00 0.00 64.86 65.43 2br2 h ILE 101 Cb 0.78 1.20 0.00 0.00 -0.74 0.00 0.00 36.82 38.06 2br2 h ILE 101 CO 0.06 0.15 -0.05 -0.08 0.00 0.00 0.00 178.15 178.24 2br2 h GLU 102 N 0.10 -0.13 -0.51 2.37 4.81 -0.91 -2.86 114.58 117.45 2br2 h GLU 102 Ca 0.05 0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.27 2br2 h GLU 102 Cb 0.19 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.57 2br2 h GLU 102 CO -0.00 -0.06 0.21 -0.07 -0.73 0.00 0.00 179.01 178.36 2br2 h LEU 103 N -0.16 0.66 -0.55 1.64 3.38 -1.11 -0.41 115.31 118.77 2br2 h LEU 103 Ca -0.01 -0.07 0.04 0.00 0.09 0.00 0.00 57.88 57.93 2br2 h LEU 103 Cb 0.12 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 40.66 2br2 h LEU 103 CO 0.02 0.59 0.30 0.28 0.09 0.00 0.00 178.44 179.72 2br2 h SER 104 N 0.73 0.44 0.01 -0.43 0.02 -1.12 0.16 113.55 113.36 2br2 h SER 104 Ca 0.18 0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 61.15 2br2 h SER 104 Cb 0.13 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.61 2br2 h SER 104 CO -0.02 0.30 -0.01 0.50 -1.14 0.00 0.00 176.83 176.47 2br2 h LYS 105 N 0.57 -0.02 -0.51 3.45 3.64 -1.00 -0.34 116.57 122.36 2br2 h LYS 105 Ca 0.24 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.67 2br2 h LYS 105 Cb 0.13 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 31.91 2br2 h LYS 105 CO -0.15 0.22 0.26 0.28 -2.27 0.00 0.00 179.45 177.79 2br2 h VAL 106 N -0.26 0.96 -0.43 2.00 2.07 -0.79 -0.43 116.25 119.37 2br2 h VAL 106 Ca -0.00 -0.18 -0.03 0.00 0.82 0.00 0.00 66.70 67.31 2br2 h VAL 106 Cb 0.25 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 30.40 2br2 h VAL 106 CO 0.00 0.09 0.14 0.40 0.02 0.00 0.00 177.57 178.23 2br2 h ILE 107 N 0.51 1.21 -0.50 4.57 2.04 -0.65 -2.07 117.51 122.63 2br2 h ILE 107 Ca 0.22 -0.70 0.05 0.00 1.00 0.00 0.00 64.86 65.43 2br2 h ILE 107 Cb 0.13 0.87 -0.04 0.00 -0.74 0.00 0.00 36.82 37.03 2br2 h ILE 107 CO -0.15 0.25 0.25 -0.09 0.00 0.00 0.00 178.15 178.40 2br2 h ARG 108 N 0.55 0.47 -0.39 2.37 2.43 -0.45 -1.27 114.38 118.08 2br2 h ARG 108 Ca 0.14 -0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 59.22 2br2 h ARG 108 Cb 0.25 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.67 2br2 h ARG 108 CO -0.01 0.31 -0.02 0.93 -1.51 0.00 0.00 179.97 179.67 2br2 h GLU 109 N 0.48 0.63 -0.50 0.20 5.08 -0.99 0.05 114.58 119.54 2br2 h GLU 109 Ca 0.22 -0.16 -0.01 0.00 -1.00 0.00 0.00 59.36 58.41 2br2 h GLU 109 Cb 0.14 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 2br2 h GLU 109 CO -0.16 0.67 0.27 0.00 -1.00 0.00 0.00 179.01 178.79 2br2 h ALA 110 N 1.39 0.64 -0.22 3.43 0.00 -0.62 -2.64 119.26 121.24 2br2 h ALA 110 Ca 0.12 -0.09 -0.12 0.00 0.00 0.00 0.00 54.91 54.82 2br2 h ALA 110 Cb 0.41 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2br2 h ALA 110 CO 0.02 0.16 -0.37 -0.07 0.00 0.00 0.00 179.25 178.99 2br2 h LEU 111 N 0.66 0.50 -1.56 0.00 3.38 -0.66 -3.00 115.31 114.63 2br2 h LEU 111 Ca 0.18 -0.21 -0.05 0.00 0.09 0.00 0.00 57.88 57.89 2br2 h LEU 111 Cb 0.06 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 2br2 h LEU 111 CO -0.03 0.83 -0.21 -0.33 0.09 0.00 0.00 178.44 178.80 2br2 h GLU 112 N 0.40 0.02 0.00 1.13 5.08 -0.66 0.13 114.58 120.67 2br2 h GLU 112 Ca 0.04 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 2br2 h GLU 112 Cb 0.84 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.09 2br2 h GLU 112 CO 0.07 0.22 0.00 -1.13 -1.00 0.00 0.00 179.01 177.17 2br2 n SER 113 N -4.29 0.60 -0.09 1.42 3.41 -1.04 -3.93 113.62 109.71 2br2 n SER 113 Ca -0.02 0.60 -0.14 0.00 -0.26 0.00 0.00 58.87 59.06 2br2 n SER 113 Cb 0.27 -0.75 -0.07 0.00 -0.26 0.00 0.00 64.21 63.40 2br2 n SER 113 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2br2 n ALA 114 N -1.73 1.68 -2.55 7.33 0.00 -0.46 -4.85 120.51 119.94 2br2 n ALA 114 Ca 0.04 -0.72 -0.42 0.00 0.00 0.00 0.00 53.44 52.34 2br2 n ALA 114 Cb 0.30 0.15 -0.03 0.00 0.00 0.00 0.00 19.45 19.87 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 -2.34 4.49 -1.18 0.00 1.01 0.32 0.28 120.40 122.99 2br2 s VAL 115 Ca -0.23 1.81 -0.17 0.00 0.00 0.00 0.00 61.98 63.39 2br2 s VAL 115 Cb 0.07 -4.16 -0.04 0.00 0.00 0.00 0.00 36.38 32.25 2br2 s VAL 115 CO 0.37 0.16 2.09 0.18 0.00 0.00 0.00 175.10 177.89 2br2 n LEU 116 N 3.78 5.63 0.28 3.92 4.77 -0.74 -4.74 117.00 129.90 2br2 n LEU 116 Ca 0.07 -3.63 0.14 0.00 -0.03 0.00 0.00 56.01 52.56 2br2 n LEU 116 Cb 0.49 -1.46 0.80 0.00 -2.33 0.00 0.00 43.42 40.92 2br2 n LEU 116 CO 0.53 0.43 1.02 -0.37 -1.33 0.00 0.00 177.39 177.68 2br2 h VAL 117 N 4.30 0.50 0.00 4.08 -1.51 -1.89 -2.62 116.25 119.11 2br2 h VAL 117 Ca 0.50 -0.38 -0.01 0.00 -1.23 0.00 0.00 66.70 65.58 2br2 h VAL 117 Cb 0.67 1.25 -0.00 0.00 -2.13 0.00 0.00 31.29 31.08 2br2 h VAL 117 CO 1.88 0.08 -0.03 -0.33 -1.23 0.00 0.00 177.57 177.94 2br2 h GLU 118 N 0.00 0.00 0.00 5.19 3.07 -1.85 -0.19 114.58 120.80 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 0.25 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.16 2br2 h GLU 118 CO 0.01 0.03 -0.03 -0.07 -1.40 0.00 0.00 179.01 177.55 2br2 h LEU 119 N 0.00 0.00 -6.17 1.33 4.07 -1.74 -3.37 115.31 109.44 2br2 h LEU 119 Ca -0.00 0.00 -0.58 0.00 0.08 0.00 0.00 57.88 57.37 2br2 h LEU 119 Cb 0.11 0.00 -0.41 0.00 1.08 0.00 0.00 40.66 41.44 2br2 h LEU 119 CO 0.00 0.03 -0.81 0.49 -1.08 0.00 0.00 178.44 177.08 2br2 n PHE 120 N -3.17 1.89 -1.71 1.13 3.01 -0.74 -5.04 117.46 112.83 2br2 n PHE 120 Ca -0.00 -3.90 -0.35 0.00 1.01 0.00 0.00 57.45 54.20 2br2 n PHE 120 Cb 0.27 -0.45 0.06 0.00 -0.01 0.00 0.00 39.48 39.35 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 -1.83 2.55 -0.96 -1.08 0.02 -1.26 -2.26 135.00 130.18 2br2 s PRO 121 Ca 0.37 1.80 0.00 0.00 0.02 0.00 0.00 61.00 63.20 2br2 s PRO 121 Cb 0.14 -1.88 0.00 0.00 0.02 0.00 0.00 34.50 32.79 2br2 s PRO 121 CO -0.06 -1.53 0.00 0.54 -0.33 0.00 0.00 177.00 175.61 2br2 n ARG 122 N -2.17 -1.43 -4.30 5.54 5.12 -0.28 -4.86 116.66 114.29 2br2 n ARG 122 Ca 0.14 0.78 -0.24 0.00 -1.93 0.00 0.00 57.85 56.59 2br2 n ARG 122 Cb 0.50 -5.02 -0.08 0.00 -1.16 0.00 0.00 32.46 26.70 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 -1.94 2.77 0.03 0.55 -4.23 -1.19 -3.17 115.64 108.46 2br2 s THR 123 Ca 0.00 -1.94 0.08 0.00 -1.18 0.00 0.00 61.69 58.66 2br2 s THR 123 Cb 0.00 -2.81 -0.03 0.00 1.34 0.00 0.00 72.50 71.00 2br2 s THR 123 CO 0.00 -0.22 -0.23 0.00 -0.54 0.00 0.00 174.62 173.63 2br2 s ALA 124 N -2.48 2.37 -0.23 3.99 0.00 0.45 -0.63 121.76 125.24 2br2 s ALA 124 Ca 0.35 -1.21 -0.01 0.00 0.00 0.00 0.00 51.96 51.08 2br2 s ALA 124 Cb -0.01 -0.59 0.02 0.00 0.00 0.00 0.00 23.12 22.53 2br2 s ALA 124 CO 0.20 0.55 -0.09 0.42 0.00 0.00 0.00 175.76 176.83 2br2 s ILE 125 N -0.81 2.79 -0.21 0.00 1.01 0.15 -2.28 121.20 121.85 2br2 s ILE 125 Ca 0.12 -0.89 -0.14 0.00 0.00 0.00 0.00 60.65 59.75 2br2 s ILE 125 Cb -0.10 -2.33 -0.04 0.00 0.01 0.00 0.00 42.46 39.99 2br2 s ILE 125 CO 0.03 0.33 0.30 -1.81 0.00 0.00 0.00 174.94 173.78 2br2 s ASP 126 N 1.35 6.33 -0.25 3.58 1.01 -1.05 -1.17 116.67 126.47 2br2 s ASP 126 Ca 0.02 0.38 0.02 0.00 0.71 0.00 0.00 52.55 53.68 2br2 s ASP 126 Cb -0.15 -2.18 0.05 0.00 1.01 0.00 0.00 42.92 41.64 2br2 s ASP 126 CO -0.06 -0.00 -0.12 -0.69 0.21 0.00 0.00 175.17 174.51 2br2 s VAL 127 N 1.11 2.26 -0.16 -1.27 1.01 0.65 -0.78 120.40 123.22 2br2 s VAL 127 Ca 0.15 -1.43 -0.04 0.00 0.00 0.00 0.00 61.98 60.66 2br2 s VAL 127 Cb -0.14 -2.24 -0.03 0.00 0.00 0.00 0.00 36.38 33.98 2br2 s VAL 127 CO 0.06 0.10 -0.03 -0.36 0.00 0.00 0.00 175.10 174.87 2br2 s PHE 128 N 1.17 3.03 -0.06 5.22 0.40 0.09 -1.53 117.98 126.29 2br2 s PHE 128 Ca -0.05 -0.31 0.04 0.00 -0.60 0.00 0.00 56.93 56.02 2br2 s PHE 128 Cb -0.18 -1.97 -0.00 0.00 0.51 0.00 0.00 43.02 41.38 2br2 s PHE 128 CO -0.06 -0.05 -0.20 0.99 0.70 0.00 0.00 175.22 176.60 2br2 s THR 129 N 0.40 1.67 -0.09 0.64 2.01 -0.08 -0.73 115.64 119.45 2br2 s THR 129 Ca -0.04 -0.83 0.00 0.00 0.31 0.00 0.00 61.69 61.14 2br2 s THR 129 Cb -0.14 -1.44 0.02 0.00 0.01 0.00 0.00 72.50 70.96 2br2 s THR 129 CO 0.03 0.47 -0.08 -1.61 -0.69 0.00 0.00 174.62 172.74 2br2 s GLU 130 N 0.13 1.41 -0.31 4.92 0.41 -0.07 -2.30 118.70 122.89 2br2 s GLU 130 Ca -0.08 -0.24 -0.27 0.00 -0.41 0.00 0.00 54.97 53.97 2br2 s GLU 130 Cb -0.14 -1.42 0.01 0.00 -1.78 0.00 0.00 34.13 30.80 2br2 s GLU 130 CO 0.04 -0.19 0.97 0.42 -0.49 0.00 0.00 175.26 176.01 2br2 s ILE 131 N 1.43 4.62 -0.07 -1.63 1.09 0.97 -1.23 121.20 126.39 2br2 s ILE 131 Ca -0.01 1.56 0.05 0.00 -1.10 0.00 0.00 60.65 61.15 2br2 s ILE 131 Cb -0.13 -4.32 -0.24 0.00 -1.06 0.00 0.00 42.46 36.70 2br2 s ILE 131 CO -0.05 -0.39 0.57 -0.07 -0.10 0.00 0.00 174.94 174.91 2br2 h LEU 132 N 9.84 0.16 -7.57 2.97 3.38 -0.62 -1.92 115.31 121.54 2br2 h LEU 132 Ca -0.22 -0.35 -0.21 0.00 0.09 0.00 0.00 57.88 57.20 2br2 h LEU 132 Cb 1.07 -0.05 -0.28 0.00 0.09 0.00 0.00 40.66 41.49 2br2 h LEU 132 CO 0.98 1.31 -0.58 -1.10 0.09 0.00 0.00 178.44 179.14 2br2 s GLN 133 N -2.59 0.13 -0.16 1.13 -0.21 -1.14 -4.10 119.66 112.73 2br2 s GLN 133 Ca -0.11 0.20 -0.03 0.00 0.02 0.00 0.00 55.36 55.45 2br2 s GLN 133 Cb 0.07 0.02 -0.02 0.00 1.00 0.00 0.00 33.01 34.08 2br2 s GLN 133 CO 0.81 -0.05 -0.06 0.00 -2.12 0.00 0.00 175.29 173.88 2br2 s ALA 134 N 0.28 2.90 -0.34 6.09 0.00 0.51 -0.66 121.76 130.54 2br2 s ALA 134 Ca -0.02 -0.88 0.16 0.00 0.00 0.00 0.00 51.96 51.22 2br2 s ALA 134 Cb -0.03 -1.51 0.44 0.00 0.00 0.00 0.00 23.12 22.02 2br2 s ALA 134 CO -0.01 0.14 1.01 -3.47 0.00 0.00 0.00 175.76 173.43 2br2 n ASP 135 N 3.69 0.72 -1.05 0.00 2.03 -1.26 -4.79 116.55 115.88 2br2 n ASP 135 Ca -0.18 -2.70 0.00 0.00 0.52 0.00 0.00 54.79 52.43 2br2 n ASP 135 Cb 0.52 -0.21 0.00 0.00 -0.72 0.00 0.00 41.12 40.71 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 -0.13 -1.55 -0.87 -1.67 0.00 -1.26 -3.41 120.51 111.62 2br2 n ALA 136 Ca 0.08 0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.83 2br2 n ALA 136 Cb 0.81 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 19.13 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 -1.88 0.54 0.30 0.00 0.00 -1.26 -4.77 105.19 98.12 2br2 n GLY 137 Ca 0.00 -0.22 0.05 0.00 0.00 0.00 0.00 46.02 45.85 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 0.52 -0.59 1.61 0.02 -1.95 -1.48 113.55 111.69 2br2 h SER 138 Ca 0.00 0.08 -0.01 0.00 -0.84 0.00 0.00 61.79 61.01 2br2 h SER 138 Cb 0.00 -0.01 -0.03 0.00 0.14 0.00 0.00 62.40 62.50 2br2 h SER 138 CO 0.00 0.26 0.33 0.08 -1.14 0.00 0.00 176.83 176.36 2br2 h ARG 139 N 0.64 0.83 -0.01 3.45 0.11 -1.99 0.14 114.38 117.56 2br2 h ARG 139 Ca 0.42 -0.09 -0.20 0.00 0.10 0.00 0.00 59.98 60.21 2br2 h ARG 139 Cb 0.51 -0.17 0.02 0.00 1.11 0.00 0.00 29.97 31.44 2br2 h ARG 139 CO -0.32 0.62 -0.79 -0.07 0.10 0.00 0.00 179.97 179.51 2br2 h LEU 140 N 0.84 0.71 -0.50 0.08 3.38 -1.71 -1.28 115.31 116.85 2br2 h LEU 140 Ca 0.22 -0.74 -0.01 0.00 0.09 0.00 0.00 57.88 57.44 2br2 h LEU 140 Cb 0.02 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 2br2 h LEU 140 CO -0.04 1.36 0.29 0.58 0.09 0.00 0.00 178.44 180.72 2br2 h VAL 141 N 0.14 1.16 -0.39 1.22 2.07 -1.00 0.12 116.25 119.57 2br2 h VAL 141 Ca -0.10 -0.38 0.03 0.00 0.82 0.00 0.00 66.70 67.07 2br2 h VAL 141 Cb 1.47 0.52 -0.03 0.00 -1.52 0.00 0.00 31.29 31.72 2br2 h VAL 141 CO 0.16 0.17 0.20 -1.28 0.02 0.00 0.00 177.57 176.83 2br2 h SER 142 N 0.66 0.29 -0.38 0.57 0.87 -0.76 -0.14 113.55 114.66 2br2 h SER 142 Ca 0.18 0.02 -0.00 0.00 -1.23 0.00 0.00 61.79 60.75 2br2 h SER 142 Cb 0.01 -0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 61.92 2br2 h SER 142 CO -0.03 0.21 0.22 0.25 -0.53 0.00 0.00 176.83 176.95 2br2 h LEU 143 N 0.40 0.46 -0.52 2.23 5.85 -0.69 -0.52 115.31 122.52 2br2 h LEU 143 Ca 0.16 -0.06 -0.06 0.00 0.84 0.00 0.00 57.88 58.76 2br2 h LEU 143 Cb 0.07 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 40.96 2br2 h LEU 143 CO -0.11 0.39 0.08 0.24 -0.34 0.00 0.00 178.44 178.70 2br2 h MET 144 N 0.49 0.87 -0.79 1.25 2.86 -0.61 -0.12 114.93 118.88 2br2 h MET 144 Ca 0.14 -0.23 0.04 0.00 -2.06 0.00 0.00 59.70 57.58 2br2 h MET 144 Cb 0.02 -0.10 -0.05 0.00 0.06 0.00 0.00 31.60 31.52 2br2 h MET 144 CO -0.02 0.85 0.50 0.00 1.06 0.00 0.00 176.91 179.29 2br2 h ALA 145 N 0.98 1.04 0.34 6.32 0.00 -0.81 -0.40 119.26 126.73 2br2 h ALA 145 Ca 0.16 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 2br2 h ALA 145 Cb 0.41 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2br2 h ALA 145 CO 0.01 0.29 -0.18 0.00 0.00 0.00 0.00 179.25 179.37 2br2 h ALA 146 N 1.34 -0.48 -0.67 0.00 0.00 -0.74 0.37 119.26 119.08 2br2 h ALA 146 Ca 0.32 -0.10 0.14 0.00 0.00 0.00 0.00 54.91 55.27 2br2 h ALA 146 Cb 0.04 0.20 -0.10 0.00 0.00 0.00 0.00 17.79 17.93 2br2 h ALA 146 CO -0.12 -0.77 0.12 1.03 0.00 0.00 0.00 179.25 179.51 2br2 h SER 147 N -0.48 -0.06 0.30 0.00 0.87 -0.41 0.15 113.55 113.92 2br2 h SER 147 Ca -0.04 0.14 -0.15 0.00 -1.23 0.00 0.00 61.79 60.51 2br2 h SER 147 Cb 0.38 0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 62.53 2br2 h SER 147 CO 0.07 -0.04 -0.59 -0.07 -0.53 0.00 0.00 176.83 175.66 2br2 h LEU 148 N 0.23 0.33 -0.69 2.23 3.38 -0.89 -2.04 115.31 117.87 2br2 h LEU 148 Ca 0.37 -0.19 -0.12 0.00 0.09 0.00 0.00 57.88 58.03 2br2 h LEU 148 Cb 0.60 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 2br2 h LEU 148 CO -0.49 0.85 -0.27 0.00 0.09 0.00 0.00 178.44 178.62 2br2 h ALA 149 N 1.15 0.87 -0.53 1.53 0.00 0.31 0.29 119.26 122.89 2br2 h ALA 149 Ca -0.00 -0.39 -0.02 0.00 0.00 0.00 0.00 54.91 54.50 2br2 h ALA 149 Cb 1.10 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 2br2 h ALA 149 CO 0.10 0.63 0.24 -0.07 0.00 0.00 0.00 179.25 180.15 2br2 h LEU 150 N 0.63 0.71 -0.50 0.00 3.38 -0.87 0.21 115.31 118.86 2br2 h LEU 150 Ca 0.08 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 2br2 h LEU 150 Cb 0.77 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.32 2br2 h LEU 150 CO 0.06 0.65 0.28 0.00 0.09 0.00 0.00 178.44 179.53 2br2 h ALA 151 N 1.08 0.65 -0.20 1.53 0.00 -1.00 -1.76 119.26 119.56 2br2 h ALA 151 Ca 0.18 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.02 2br2 h ALA 151 Cb 0.14 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2br2 h ALA 151 CO -0.02 0.16 0.13 0.22 0.00 0.00 0.00 179.25 179.74 2br2 h ASP 152 N 0.67 0.21 0.79 0.00 3.58 -0.03 0.16 116.42 121.80 2br2 h ASP 152 Ca 0.18 -0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.62 2br2 h ASP 152 Cb 0.03 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.03 2br2 h ASP 152 CO -0.03 0.15 0.00 0.00 -2.88 0.00 0.00 179.24 176.48 2br2 n ALA 153 N -2.51 2.30 -1.53 -0.78 0.00 0.03 -4.69 120.51 113.32 2br2 n ALA 153 Ca 0.00 -0.11 -0.05 0.00 0.00 0.00 0.00 53.44 53.28 2br2 n ALA 153 Cb 0.10 -1.45 -0.02 0.00 0.00 0.00 0.00 19.45 18.09 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 1.24 0.54 3.67 0.00 0.00 0.04 -4.90 105.19 105.78 2br2 n GLY 154 Ca 0.09 -0.75 -0.42 0.00 0.00 0.00 0.00 46.02 44.94 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 -2.23 4.84 0.20 -0.61 1.01 -0.72 -5.00 121.20 118.69 2br2 s ILE 155 Ca 0.00 1.71 -0.31 0.00 0.00 0.00 0.00 60.65 62.05 2br2 s ILE 155 Cb 0.00 -4.17 -0.10 0.00 0.01 0.00 0.00 42.46 38.20 2br2 s ILE 155 CO 0.00 -0.02 1.55 -2.84 0.00 0.00 0.00 174.94 173.63 2br2 s PRO 156 N 2.40 4.21 0.15 2.79 0.02 -1.26 -4.52 135.00 138.79 2br2 s PRO 156 Ca 0.39 2.39 0.02 0.00 0.02 0.00 0.00 61.00 63.82 2br2 s PRO 156 Cb -0.16 -3.13 -0.04 0.00 0.02 0.00 0.00 34.50 31.19 2br2 s PRO 156 CO 0.11 -0.58 -0.03 -1.64 -0.33 0.00 0.00 177.00 174.53 2br2 s MET 157 N 0.64 1.03 0.26 5.54 -1.94 -1.26 -1.79 119.30 121.77 2br2 s MET 157 Ca 0.67 -1.47 -0.01 0.00 -1.71 0.00 0.00 55.69 53.17 2br2 s MET 157 Cb -0.44 -0.30 0.35 0.00 2.01 0.00 0.00 34.83 36.44 2br2 s MET 157 CO 0.36 -0.07 1.75 0.00 -0.01 0.00 0.00 175.02 177.05 2br2 h ARG 158 N 2.78 0.73 -1.68 2.03 3.08 -0.50 -3.47 114.38 117.35 2br2 h ARG 158 Ca -0.36 -0.21 0.28 0.00 0.07 0.00 0.00 59.98 59.76 2br2 h ARG 158 Cb 1.19 -0.08 -0.12 0.00 0.08 0.00 0.00 29.97 31.05 2br2 h ARG 158 CO 0.63 0.78 0.74 0.34 -1.07 0.00 0.00 179.97 181.39 2br2 s ASP 159 N -6.69 -0.10 0.75 7.04 2.15 -1.26 -5.01 116.67 113.55 2br2 s ASP 159 Ca -0.09 -0.19 -0.11 0.00 0.43 0.00 0.00 52.55 52.59 2br2 s ASP 159 Cb 0.14 0.25 0.04 0.00 -0.30 0.00 0.00 42.92 43.05 2br2 s ASP 159 CO 0.81 -0.45 1.08 -0.76 -0.17 0.00 0.00 175.17 175.68 2br2 s LEU 160 N -2.91 2.83 -0.16 -1.34 1.43 -1.26 -4.94 118.68 112.33 2br2 s LEU 160 Ca 0.13 1.41 -0.01 0.00 -1.03 0.00 0.00 54.13 54.63 2br2 s LEU 160 Cb 0.03 -4.15 -0.01 0.00 0.03 0.00 0.00 46.19 42.09 2br2 s LEU 160 CO -0.03 -1.71 -0.10 -0.63 0.23 0.00 0.00 176.35 174.12 2br2 s ILE 161 N -3.13 3.19 0.01 -0.59 1.01 -1.26 -4.14 121.20 116.28 2br2 s ILE 161 Ca 0.59 -0.59 0.08 0.00 0.00 0.00 0.00 60.65 60.73 2br2 s ILE 161 Cb -0.14 -2.38 -0.02 0.00 0.01 0.00 0.00 42.46 39.93 2br2 s ILE 161 CO 0.54 0.49 -0.25 0.00 0.00 0.00 0.00 174.94 175.73 2br2 s ALA 162 N 0.70 2.06 0.03 9.38 0.00 -0.41 -4.62 121.76 128.90 2br2 s ALA 162 Ca -0.05 -1.12 -0.07 0.00 0.00 0.00 0.00 51.96 50.73 2br2 s ALA 162 Cb -0.15 -0.49 -0.00 0.00 0.00 0.00 0.00 23.12 22.48 2br2 s ALA 162 CO 0.02 0.50 0.13 0.20 0.00 0.00 0.00 175.76 176.61 2br2 s GLY 163 N -0.83 0.10 0.02 0.00 0.00 -1.26 -0.46 107.32 104.89 2br2 s GLY 163 Ca 0.10 -0.35 -0.09 0.00 0.00 0.00 0.00 44.72 44.38 2br2 s GLY 163 CO 0.00 -0.49 0.17 -1.34 0.00 0.00 0.00 173.10 171.44 2br2 s VAL 164 N -2.15 0.09 -0.10 1.40 -7.23 -0.41 -4.89 120.40 107.11 2br2 s VAL 164 Ca -0.09 -0.78 -0.18 0.00 -1.81 0.00 0.00 61.98 59.12 2br2 s VAL 164 Cb -0.04 -0.65 -0.04 0.00 0.56 0.00 0.00 36.38 36.21 2br2 s VAL 164 CO -0.02 -0.43 0.49 0.00 -0.31 0.00 0.00 175.10 174.83 2br2 s ALA 165 N -1.88 3.48 0.24 1.32 0.00 -1.26 -1.21 121.76 122.46 2br2 s ALA 165 Ca -0.11 -0.16 0.09 0.00 0.00 0.00 0.00 51.96 51.79 2br2 s ALA 165 Cb -0.05 -2.66 -0.04 0.00 0.00 0.00 0.00 23.12 20.38 2br2 s ALA 165 CO -0.00 0.03 -0.03 0.54 0.00 0.00 0.00 175.76 176.30 2br2 s VAL 166 N 0.48 3.36 0.00 0.00 0.11 -0.36 0.14 120.40 124.13 2br2 s VAL 166 Ca 0.27 -1.86 -0.00 0.00 -2.93 0.00 0.00 61.98 57.45 2br2 s VAL 166 Cb -0.16 -2.76 0.00 0.00 -1.53 0.00 0.00 36.38 31.93 2br2 s VAL 166 CO 0.11 -0.31 0.00 0.61 -3.33 0.00 0.00 175.10 172.19 2br2 n GLY 167 N -0.65 1.53 2.91 6.54 0.00 0.05 0.21 105.19 115.79 2br2 n GLY 167 Ca -0.07 -0.95 -0.25 0.00 0.00 0.00 0.00 46.02 44.75 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 1.32 0.00 1.61 2.20 -1.09 -0.82 119.74 120.95 2br2 s LYS 168 Ca 0.00 -0.21 0.00 0.00 -0.36 0.00 0.00 55.97 55.40 2br2 s LYS 168 Cb -0.00 -1.33 0.00 0.00 -1.51 0.00 0.00 37.83 34.99 2br2 s LYS 168 CO 0.00 -0.17 0.00 0.00 -0.36 0.00 0.00 175.35 174.82 2br2 n ALA 169 N 4.55 0.15 -2.87 3.13 0.00 0.24 -0.57 120.51 125.16 2br2 n ALA 169 Ca -0.16 -0.03 -0.27 0.00 0.00 0.00 0.00 53.44 52.97 2br2 n ALA 169 Cb 0.51 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.92 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 -1.61 4.59 0.00 0.00 8.00 -1.26 -4.28 116.55 121.99 2br2 n ASP 170 Ca 0.00 -3.69 0.00 0.00 0.71 0.00 0.00 54.79 51.81 2br2 n ASP 170 Cb 0.00 -0.56 0.00 0.00 -0.02 0.00 0.00 41.12 40.54 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 -0.28 1.98 3.69 0.44 0.00 -1.26 -5.02 105.19 104.74 2br2 n GLY 171 Ca 0.33 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 46.00 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 -3.37 5.09 -0.05 1.61 1.01 -1.26 -5.07 120.40 118.36 2br2 s VAL 172 Ca 0.00 0.07 -0.30 0.00 0.00 0.00 0.00 61.98 61.76 2br2 s VAL 172 Cb 0.00 -3.30 -0.03 0.00 0.00 0.00 0.00 36.38 33.05 2br2 s VAL 172 CO 0.00 0.46 1.12 -0.63 0.00 0.00 0.00 175.10 176.05 2br2 s ILE 173 N 0.28 4.45 0.13 2.22 1.01 -1.26 -0.59 121.20 127.45 2br2 s ILE 173 Ca 0.06 1.76 0.06 0.00 0.00 0.00 0.00 60.65 62.52 2br2 s ILE 173 Cb -0.12 -4.13 -0.04 0.00 0.01 0.00 0.00 42.46 38.19 2br2 s ILE 173 CO -0.01 0.03 -0.13 0.27 0.00 0.00 0.00 174.94 175.10 2br2 s ILE 174 N 1.93 1.30 -0.14 2.92 -4.36 -0.00 -4.80 121.20 118.04 2br2 s ILE 174 Ca 0.53 -1.80 -0.02 0.00 -0.26 0.00 0.00 60.65 59.11 2br2 s ILE 174 Cb -0.23 -1.60 -0.02 0.00 1.25 0.00 0.00 42.46 41.86 2br2 s ILE 174 CO 0.22 -0.49 -0.08 -0.22 0.24 0.00 0.00 174.94 174.61 2br2 s LEU 175 N -2.62 3.03 -0.27 0.37 2.96 0.36 -0.77 118.68 121.74 2br2 s LEU 175 Ca 0.11 -0.20 -0.06 0.00 -0.22 0.00 0.00 54.13 53.76 2br2 s LEU 175 Cb -0.03 -1.71 0.01 0.00 0.50 0.00 0.00 46.19 44.96 2br2 s LEU 175 CO 0.03 0.18 0.21 -0.67 -1.32 0.00 0.00 176.35 174.78 2br2 n ASP 176 N 3.45 -6.47 -4.77 3.68 2.03 0.12 -4.66 116.55 109.94 2br2 n ASP 176 Ca -0.18 0.76 -0.38 0.00 0.52 0.00 0.00 54.79 55.51 2br2 n ASP 176 Cb 0.53 -4.26 -0.05 0.00 -0.72 0.00 0.00 41.12 36.62 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 -1.68 4.39 1.13 -2.67 1.43 -1.24 -4.77 118.68 115.27 2br2 s LEU 177 Ca 0.09 2.00 -0.13 0.00 -1.03 0.00 0.00 54.13 55.06 2br2 s LEU 177 Cb -0.02 -3.91 0.27 0.00 0.03 0.00 0.00 46.19 42.56 2br2 s LEU 177 CO 0.58 -0.15 1.04 0.20 0.23 0.00 0.00 176.35 178.25 2br2 s ASN 178 N -1.37 1.27 0.20 2.29 0.02 -1.26 -4.60 114.94 111.49 2br2 s ASN 178 Ca 0.49 1.48 -0.09 0.00 -1.02 0.00 0.00 52.86 53.72 2br2 s ASN 178 Cb -0.24 -2.24 0.13 0.00 0.02 0.00 0.00 41.25 38.93 2br2 s ASN 178 CO 0.30 -4.02 1.77 -0.08 0.02 0.00 0.00 177.10 175.09 2br2 h GLU 179 N -2.50 1.09 -0.55 -0.60 4.81 -1.90 -1.05 114.58 113.89 2br2 h GLU 179 Ca -0.60 -0.19 0.04 0.00 -0.13 0.00 0.00 59.36 58.47 2br2 h GLU 179 Cb 1.33 -0.18 -0.04 0.00 0.63 0.00 0.00 28.75 30.49 2br2 h GLU 179 CO 0.51 0.89 0.31 1.15 -0.73 0.00 0.00 179.01 181.14 2br2 h THR 180 N 1.05 1.01 -0.25 0.32 2.02 -1.93 0.17 112.91 115.30 2br2 h THR 180 Ca 0.25 -0.21 -0.18 0.00 0.77 0.00 0.00 66.41 67.04 2br2 h THR 180 Cb 0.20 0.36 -0.00 0.00 -1.74 0.00 0.00 68.15 66.96 2br2 h THR 180 CO -0.02 0.11 -0.56 -0.33 0.37 0.00 0.00 175.52 175.09 2br2 h GLU 181 N 0.60 0.75 -0.43 6.66 5.08 -1.90 -1.54 114.58 123.81 2br2 h GLU 181 Ca 0.23 -0.48 0.04 0.00 -1.00 0.00 0.00 59.36 58.15 2br2 h GLU 181 Cb 0.08 0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.35 2br2 h GLU 181 CO -0.13 1.11 0.18 0.22 -1.00 0.00 0.00 179.01 179.39 2br2 h ASP 182 N 0.58 0.24 1.15 1.42 1.82 -0.97 0.15 116.42 120.80 2br2 h ASP 182 Ca 0.01 0.04 -0.12 0.00 -0.39 0.00 0.00 57.03 56.57 2br2 h ASP 182 Cb 1.14 -0.00 -0.02 0.00 0.68 0.00 0.00 39.33 41.14 2br2 h ASP 182 CO 0.12 0.17 -0.56 -0.03 -1.61 0.00 0.00 179.24 177.33 2br2 h MET 183 N 0.37 0.00 0.00 0.28 4.05 -0.75 -3.35 114.93 115.53 2br2 h MET 183 Ca 0.19 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.61 2br2 h MET 183 Cb 0.14 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.94 2br2 h MET 183 CO -0.17 0.56 -0.22 0.91 0.23 0.00 0.00 176.91 178.23 2br2 n TRP 184 N -3.37 0.00 -1.13 1.39 7.02 -0.60 -5.07 117.44 115.68 2br2 n TRP 184 Ca 0.01 0.00 -0.29 0.00 -1.02 0.00 0.00 57.50 56.20 2br2 n TRP 184 Cb 0.70 0.00 0.20 0.00 -2.42 0.00 0.00 31.31 29.79 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 -1.21 1.57 0.20 6.99 0.00 0.52 -4.98 107.32 110.41 2br2 s GLY 185 Ca 0.00 -0.56 0.17 0.00 0.00 0.00 0.00 44.72 44.34 2br2 s GLY 185 CO 0.00 0.15 1.16 0.83 0.00 0.00 0.00 173.10 175.24 2br2 h GLU 186 N -2.15 0.00 -2.82 2.90 3.07 -1.02 -3.48 114.58 111.08 2br2 h GLU 186 Ca -0.52 0.00 -0.09 0.00 -0.50 0.00 0.00 59.36 58.24 2br2 h GLU 186 Cb 1.32 0.00 -0.19 0.00 -0.84 0.00 0.00 28.75 29.04 2br2 h GLU 186 CO 0.51 0.30 -0.13 0.00 -1.40 0.00 0.00 179.01 178.29 2br2 s ALA 187 N -3.03 -1.05 -0.09 3.43 0.00 -1.20 -0.80 121.76 119.02 2br2 s ALA 187 Ca 0.01 0.52 -0.04 0.00 0.00 0.00 0.00 51.96 52.45 2br2 s ALA 187 Cb 0.08 0.14 0.05 0.00 0.00 0.00 0.00 23.12 23.39 2br2 s ALA 187 CO 0.77 -0.34 0.17 0.34 0.00 0.00 0.00 175.76 176.71 2br2 s ASP 188 N -1.50 0.73 -0.43 0.00 2.15 0.48 -2.68 116.67 115.42 2br2 s ASP 188 Ca -0.11 0.35 0.02 0.00 0.43 0.00 0.00 52.55 53.24 2br2 s ASP 188 Cb -0.03 0.33 0.14 0.00 -0.30 0.00 0.00 42.92 43.06 2br2 s ASP 188 CO 0.04 -0.25 0.26 -0.32 -0.17 0.00 0.00 175.17 174.73 2br2 s MET 189 N 2.31 1.12 0.14 4.34 -2.45 0.13 -1.04 119.30 123.85 2br2 s MET 189 Ca 0.03 -1.92 -0.31 0.00 -1.25 0.00 0.00 55.69 52.24 2br2 s MET 189 Cb -0.12 -2.02 -0.08 0.00 1.25 0.00 0.00 34.83 33.86 2br2 s MET 189 CO -0.06 -1.21 1.39 -1.25 1.05 0.00 0.00 175.02 174.94 2br2 s PRO 190 N 0.40 4.32 -0.04 4.11 0.04 -1.03 -1.22 135.00 141.58 2br2 s PRO 190 Ca 0.20 2.11 0.01 0.00 0.04 0.00 0.00 61.00 63.36 2br2 s PRO 190 Cb -0.19 -3.22 0.02 0.00 0.04 0.00 0.00 34.50 31.14 2br2 s PRO 190 CO -0.03 -0.41 -0.05 0.42 0.04 0.00 0.00 177.00 176.97 2br2 s ILE 191 N 0.85 0.53 -0.01 0.56 1.01 -0.35 -1.76 121.20 122.04 2br2 s ILE 191 Ca 0.63 -0.16 0.04 0.00 0.00 0.00 0.00 60.65 61.17 2br2 s ILE 191 Cb -0.38 -0.54 -0.01 0.00 0.01 0.00 0.00 42.46 41.55 2br2 s ILE 191 CO 0.33 0.21 -0.13 0.00 0.00 0.00 0.00 174.94 175.34 2br2 s ALA 192 N 0.68 1.09 0.18 9.38 0.00 -0.04 -1.28 121.76 131.77 2br2 s ALA 192 Ca -0.09 -0.57 0.03 0.00 0.00 0.00 0.00 51.96 51.34 2br2 s ALA 192 Cb -0.12 -0.27 -0.05 0.00 0.00 0.00 0.00 23.12 22.68 2br2 s ALA 192 CO 0.00 0.27 -0.04 -1.64 0.00 0.00 0.00 175.76 174.35 2br2 s MET 193 N -0.32 1.17 -0.81 0.00 1.00 0.40 0.43 119.30 121.17 2br2 s MET 193 Ca 0.05 -1.55 -0.17 0.00 0.00 0.00 0.00 55.69 54.02 2br2 s MET 193 Cb -0.05 -0.52 0.16 0.00 0.00 0.00 0.00 34.83 34.41 2br2 s MET 193 CO -0.00 -0.04 0.89 -1.64 0.00 0.00 0.00 175.02 174.23 2br2 s MET 194 N -3.83 3.46 0.27 2.03 -1.94 0.25 -1.28 119.30 118.26 2br2 s MET 194 Ca 0.23 -1.90 -0.03 0.00 -1.71 0.00 0.00 55.69 52.28 2br2 s MET 194 Cb 0.05 -4.58 0.40 0.00 2.01 0.00 0.00 34.83 32.71 2br2 s MET 194 CO 0.04 -1.54 1.91 -1.35 -0.01 0.00 0.00 175.02 174.07 2br2 h PRO 195 N 8.55 1.16 0.00 2.03 0.11 -1.83 -0.83 132.00 141.19 2br2 h PRO 195 Ca 0.02 -0.07 -0.02 0.00 0.11 0.00 0.00 66.00 66.04 2br2 h PRO 195 Cb 1.05 -0.26 -0.00 0.00 0.11 0.00 0.00 31.00 31.89 2br2 h PRO 195 CO 0.98 0.77 -0.10 0.77 -0.21 0.00 0.00 178.00 180.21 2br2 h SER 196 N 1.20 0.00 0.03 -2.05 0.02 -1.93 -2.58 113.55 108.24 2br2 h SER 196 Ca 0.40 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.35 2br2 h SER 196 Cb 0.06 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.60 2br2 h SER 196 CO -0.13 0.10 -0.71 0.18 -1.14 0.00 0.00 176.83 175.13 2br2 n LEU 197 N -3.91 1.42 -3.86 5.07 4.77 -0.37 -4.98 117.00 115.13 2br2 n LEU 197 Ca -0.02 -0.57 -0.29 0.00 -0.03 0.00 0.00 56.01 55.10 2br2 n LEU 197 Cb 0.19 -0.02 0.03 0.00 -2.33 0.00 0.00 43.42 41.30 2br2 n LEU 197 CO 0.31 0.30 0.12 0.59 -1.33 0.00 0.00 177.39 177.37 2br2 n ASN 198 N -0.82 -4.81 -4.36 -1.43 5.03 -0.85 -4.97 115.26 103.05 2br2 n ASN 198 Ca 0.07 -0.75 -0.34 0.00 0.87 0.00 0.00 54.58 54.43 2br2 n ASN 198 Cb 0.39 -4.05 -0.14 0.00 -1.02 0.00 0.00 39.78 34.96 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 -6.54 3.41 0.02 3.52 -1.52 -1.15 -5.00 119.66 112.41 2br2 s GLN 199 Ca 0.61 -0.64 -0.25 0.00 -1.95 0.00 0.00 55.36 53.13 2br2 s GLN 199 Cb -0.30 -2.82 -0.05 0.00 -0.22 0.00 0.00 33.01 29.62 2br2 s GLN 199 CO 0.82 0.05 0.78 0.08 -0.25 0.00 0.00 175.29 176.77 2br2 s VAL 200 N 0.81 4.79 -0.15 1.09 1.01 -1.26 -0.58 120.40 126.10 2br2 s VAL 200 Ca -0.03 1.66 0.01 0.00 0.00 0.00 0.00 61.98 63.62 2br2 s VAL 200 Cb -0.15 -4.13 -0.10 0.00 0.00 0.00 0.00 36.38 32.00 2br2 s VAL 200 CO 0.01 0.32 -0.14 0.41 0.00 0.00 0.00 175.10 175.71 2br2 n THR 201 N 3.09 0.87 -4.19 3.92 -1.04 0.17 -4.94 114.28 112.16 2br2 n THR 201 Ca -0.01 -0.33 -0.18 0.00 -2.04 0.00 0.00 64.05 61.49 2br2 n THR 201 Cb 0.50 -1.06 -0.15 0.00 -1.82 0.00 0.00 70.33 67.80 2br2 n THR 201 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 2br2 s LEU 202 N -5.92 1.73 -0.21 -4.42 2.96 -1.04 -4.23 118.68 107.56 2br2 s LEU 202 Ca -0.21 -0.11 -0.04 0.00 -0.22 0.00 0.00 54.13 53.55 2br2 s LEU 202 Cb 0.05 -0.36 0.11 0.00 0.50 0.00 0.00 46.19 46.49 2br2 s LEU 202 CO 0.35 0.02 0.32 0.12 -1.32 0.00 0.00 176.35 175.85 2br2 s PHE 203 N 0.27 -0.62 0.02 5.38 5.36 -1.26 -0.86 117.98 126.28 2br2 s PHE 203 Ca -0.03 0.75 0.01 0.00 -0.96 0.00 0.00 56.93 56.71 2br2 s PHE 203 Cb -0.07 -0.06 -0.01 0.00 -0.34 0.00 0.00 43.02 42.53 2br2 s PHE 203 CO -0.00 -0.61 -0.05 -0.65 -1.46 0.00 0.00 175.22 172.44 2br2 s GLN 204 N 2.48 0.40 -0.06 10.12 -0.21 -0.72 -5.05 119.66 126.62 2br2 s GLN 204 Ca 0.08 -0.47 0.01 0.00 0.02 0.00 0.00 55.36 55.00 2br2 s GLN 204 Cb -0.15 -0.23 0.02 0.00 1.00 0.00 0.00 33.01 33.65 2br2 s GLN 204 CO -0.13 0.05 -0.06 -1.17 -2.12 0.00 0.00 175.29 171.85 2br2 s LEU 205 N -0.93 1.32 0.10 2.90 2.96 -1.26 -2.47 118.68 121.30 2br2 s LEU 205 Ca -0.06 -0.17 0.10 0.00 -0.22 0.00 0.00 54.13 53.77 2br2 s LEU 205 Cb -0.06 -0.55 -0.04 0.00 0.50 0.00 0.00 46.19 46.04 2br2 s LEU 205 CO -0.00 -0.05 -0.23 0.54 -1.32 0.00 0.00 176.35 175.29 2br2 s ASN 206 N 1.01 3.54 0.00 3.68 2.20 -0.21 -5.00 114.94 120.16 2br2 s ASN 206 Ca -0.09 -0.62 0.00 0.00 -0.94 0.00 0.00 52.86 51.21 2br2 s ASN 206 Cb -0.14 -0.39 0.00 0.00 -2.00 0.00 0.00 41.25 38.72 2br2 s ASN 206 CO -0.00 0.20 0.00 0.61 -2.94 0.00 0.00 177.10 174.97 2br2 n GLY 207 N 1.10 0.78 3.52 0.45 0.00 -1.26 -0.38 105.19 109.39 2br2 n GLY 207 Ca -0.17 -1.61 -0.10 0.00 0.00 0.00 0.00 46.02 44.15 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 -0.77 -0.01 1.61 0.15 0.02 -4.95 113.70 105.75 2br2 s SER 208 Ca 0.00 1.30 -0.16 0.00 0.70 0.00 0.00 55.95 57.79 2br2 s SER 208 Cb 0.00 1.21 0.03 0.00 -1.71 0.00 0.00 66.02 65.54 2br2 s SER 208 CO 0.00 -0.22 0.33 -0.04 1.20 0.00 0.00 173.24 174.51 2br2 s MET 209 N 1.25 0.70 0.55 5.44 -1.94 -1.26 -4.40 119.30 119.64 2br2 s MET 209 Ca -0.07 -0.19 -0.16 0.00 -1.71 0.00 0.00 55.69 53.55 2br2 s MET 209 Cb -0.06 0.31 -0.06 0.00 2.01 0.00 0.00 34.83 37.04 2br2 s MET 209 CO -0.13 -0.20 1.02 0.95 -0.01 0.00 0.00 175.02 176.65 2br2 s THR 210 N -1.41 4.22 0.31 2.05 -4.23 -1.26 -4.85 115.64 110.46 2br2 s THR 210 Ca -0.13 1.06 0.06 0.00 -1.18 0.00 0.00 61.69 61.51 2br2 s THR 210 Cb -0.05 -3.58 0.30 0.00 1.34 0.00 0.00 72.50 70.52 2br2 s THR 210 CO 0.04 -0.61 1.78 -0.65 -0.54 0.00 0.00 174.62 174.64 2br2 h PRO 211 N 0.73 0.73 -0.14 3.99 0.11 -2.01 0.14 132.00 135.54 2br2 h PRO 211 Ca -0.47 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.60 2br2 h PRO 211 Cb 1.20 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 2br2 h PRO 211 CO 0.60 0.48 0.09 -0.44 -0.21 0.00 0.00 178.00 178.52 2br2 h ASP 212 N 0.75 0.16 -0.50 -2.05 3.32 -1.99 -0.53 116.42 115.58 2br2 h ASP 212 Ca 0.58 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.62 2br2 h ASP 212 Cb 0.91 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 40.40 2br2 h ASP 212 CO -0.38 0.13 0.33 -0.33 -1.72 0.00 0.00 179.24 177.27 2br2 h GLU 213 N 0.18 0.66 -0.59 3.56 5.08 -1.70 -0.76 114.58 121.00 2br2 h GLU 213 Ca 0.05 -0.04 0.10 0.00 -1.00 0.00 0.00 59.36 58.47 2br2 h GLU 213 Cb -0.01 -0.15 -0.08 0.00 0.50 0.00 0.00 28.75 29.02 2br2 h GLU 213 CO -0.01 0.44 0.17 0.35 -1.00 0.00 0.00 179.01 178.96 2br2 h PHE 214 N 0.67 0.29 -0.60 4.33 3.57 -0.56 0.79 116.94 125.43 2br2 h PHE 214 Ca 0.18 0.03 -0.10 0.00 3.53 0.00 0.00 57.97 61.61 2br2 h PHE 214 Cb -0.07 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 38.61 2br2 h PHE 214 CO -0.04 0.03 -0.02 0.00 -2.23 0.00 0.00 178.31 176.05 2br2 h ARG 215 N 0.32 1.07 0.07 1.11 3.08 -0.54 -1.32 114.38 118.16 2br2 h ARG 215 Ca 0.30 -0.35 -0.00 0.00 0.07 0.00 0.00 59.98 60.00 2br2 h ARG 215 Cb 0.42 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.38 2br2 h ARG 215 CO -0.35 1.05 -0.03 1.96 -1.07 0.00 0.00 179.97 181.53 2br2 h GLN 216 N 0.96 -0.09 -0.70 0.04 4.20 -0.73 -2.26 115.11 116.54 2br2 h GLN 216 Ca 0.17 0.01 0.01 0.00 0.06 0.00 0.00 58.65 58.89 2br2 h GLN 216 Cb 0.58 0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.35 2br2 h GLN 216 CO 0.03 0.02 0.47 0.00 -0.67 0.00 0.00 178.83 178.68 2br2 h ALA 217 N 0.76 0.89 -0.37 3.87 0.00 -0.81 -1.82 119.26 121.78 2br2 h ALA 217 Ca -0.01 -0.05 0.06 0.00 0.00 0.00 0.00 54.91 54.91 2br2 h ALA 217 Cb 0.14 -0.28 -0.05 0.00 0.00 0.00 0.00 17.79 17.60 2br2 h ALA 217 CO 0.01 0.31 0.07 0.35 0.00 0.00 0.00 179.25 180.00 2br2 h PHE 218 N 0.95 0.12 -0.97 0.00 3.57 -1.15 0.39 116.94 119.85 2br2 h PHE 218 Ca 0.26 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.80 2br2 h PHE 218 Cb -0.11 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 38.58 2br2 h PHE 218 CO -0.02 0.01 0.64 -0.44 -2.23 0.00 0.00 178.31 176.27 2br2 h ASP 219 N 0.20 1.10 -0.41 0.41 3.32 -0.90 -2.32 116.42 117.82 2br2 h ASP 219 Ca 0.18 -0.02 -0.07 0.00 0.02 0.00 0.00 57.03 57.13 2br2 h ASP 219 Cb 0.21 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.48 2br2 h ASP 219 CO -0.24 0.78 -0.03 0.25 -1.72 0.00 0.00 179.24 178.29 2br2 h LEU 220 N 1.29 0.74 -0.90 1.55 5.85 -0.49 -2.94 115.31 120.41 2br2 h LEU 220 Ca 0.37 -0.32 0.07 0.00 0.84 0.00 0.00 57.88 58.83 2br2 h LEU 220 Cb -0.10 -0.20 -0.06 0.00 0.37 0.00 0.00 40.66 40.66 2br2 h LEU 220 CO -0.09 0.89 0.56 0.00 -0.34 0.00 0.00 178.44 179.46 2br2 h ALA 221 N 0.88 1.24 -0.34 1.25 0.00 -0.54 -1.90 119.26 119.86 2br2 h ALA 221 Ca 0.11 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.03 2br2 h ALA 221 Cb 0.52 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 2br2 h ALA 221 CO 0.03 0.31 0.19 0.28 0.00 0.00 0.00 179.25 180.06 2br2 h VAL 222 N 1.01 1.03 -0.68 0.00 2.07 -1.26 0.27 116.25 118.70 2br2 h VAL 222 Ca 0.39 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.78 2br2 h VAL 222 Cb 0.19 0.60 -0.03 0.00 -1.52 0.00 0.00 31.29 30.52 2br2 h VAL 222 CO -0.18 0.07 0.44 0.11 0.02 0.00 0.00 177.57 178.03 2br2 h LYS 223 N 0.40 0.90 0.36 1.57 1.57 -1.28 -0.56 116.57 119.53 2br2 h LYS 223 Ca 0.13 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.84 2br2 h LYS 223 Cb 0.01 -0.20 -0.00 0.00 0.08 0.00 0.00 32.23 32.12 2br2 h LYS 223 CO -0.07 0.60 -0.19 0.78 -0.57 0.00 0.00 179.45 180.00 2br2 h GLY 224 N 0.92 -0.54 0.23 3.86 0.00 -0.95 -2.87 103.07 103.73 2br2 h GLY 224 Ca 0.25 0.21 0.15 0.00 0.00 0.00 0.00 47.33 47.94 2br2 h GLY 224 CO -0.05 -0.20 0.51 -2.22 0.00 0.00 0.00 176.54 174.58 2br2 h ILE 225 N -0.52 0.75 -0.44 2.60 2.04 -0.05 -1.49 117.51 120.41 2br2 h ILE 225 Ca -0.04 -0.25 -0.07 0.00 1.00 0.00 0.00 64.86 65.50 2br2 h ILE 225 Cb 0.41 -0.03 -0.02 0.00 -0.74 0.00 0.00 36.82 36.44 2br2 h ILE 225 CO 0.06 0.13 -0.01 0.78 0.00 0.00 0.00 178.15 179.12 2br2 h ASN 226 N 0.71 0.69 -0.23 1.72 2.35 -0.95 0.10 115.58 119.97 2br2 h ASN 226 Ca 0.50 -0.16 -0.04 0.00 -0.55 0.00 0.00 56.30 56.05 2br2 h ASN 226 Cb 0.70 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.88 2br2 h ASN 226 CO -0.35 0.76 -0.02 0.40 -1.65 0.00 0.00 177.43 176.57 2br2 h ILE 227 N 0.67 1.27 -0.78 2.81 2.04 -1.07 -2.64 117.51 119.80 2br2 h ILE 227 Ca 0.13 -0.95 0.02 0.00 1.00 0.00 0.00 64.86 65.06 2br2 h ILE 227 Cb 0.43 1.43 -0.04 0.00 -0.74 0.00 0.00 36.82 37.90 2br2 h ILE 227 CO 0.02 0.29 0.51 0.40 0.00 0.00 0.00 178.15 179.37 2br2 h ILE 228 N 0.17 1.16 -0.56 -0.67 2.04 -1.09 -2.83 117.51 115.74 2br2 h ILE 228 Ca 0.06 -0.35 0.03 0.00 1.00 0.00 0.00 64.86 65.60 2br2 h ILE 228 Cb 0.44 0.06 -0.04 0.00 -0.74 0.00 0.00 36.82 36.54 2br2 h ILE 228 CO 0.02 0.18 0.33 0.22 0.00 0.00 0.00 178.15 178.90 2br2 h TYR 229 N 1.01 0.62 -0.35 1.37 3.20 -0.67 -0.37 116.97 121.78 2br2 h TYR 229 Ca 0.30 0.02 0.01 0.00 3.14 0.00 0.00 58.73 62.20 2br2 h TYR 229 Cb -0.05 -0.20 -0.02 0.00 1.54 0.00 0.00 36.73 38.00 2br2 h TYR 229 CO -0.02 0.35 0.23 -0.91 -1.64 0.00 0.00 178.16 176.17 2br2 h ASN 230 N 0.66 0.39 -0.26 -2.11 2.35 -1.23 -0.81 115.58 114.56 2br2 h ASN 230 Ca 0.23 -0.01 -0.19 0.00 -0.55 0.00 0.00 56.30 55.78 2br2 h ASN 230 Cb 0.03 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.31 2br2 h ASN 230 CO -0.10 0.28 -0.57 -0.07 -1.65 0.00 0.00 177.43 175.32 2br2 h LEU 231 N 0.46 0.97 -0.33 1.61 3.38 -1.02 -2.14 115.31 118.24 2br2 h LEU 231 Ca 0.13 -0.53 0.01 0.00 0.09 0.00 0.00 57.88 57.58 2br2 h LEU 231 Cb -0.03 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.43 2br2 h LEU 231 CO -0.03 1.33 0.21 -0.33 0.09 0.00 0.00 178.44 179.71 2br2 h GLU 232 N 0.66 0.41 -0.71 1.13 5.08 -0.50 0.75 114.58 121.40 2br2 h GLU 232 Ca 0.01 -0.02 0.08 0.00 -1.00 0.00 0.00 59.36 58.43 2br2 h GLU 232 Cb 1.18 -0.09 -0.07 0.00 0.50 0.00 0.00 28.75 30.27 2br2 h GLU 232 CO 0.13 0.27 0.37 0.00 -1.00 0.00 0.00 179.01 178.78 2br2 h ARG 233 N 0.42 0.63 -0.36 2.33 3.08 -1.10 -1.41 114.38 117.97 2br2 h ARG 233 Ca 0.13 -0.04 -0.17 0.00 0.07 0.00 0.00 59.98 59.97 2br2 h ARG 233 Cb -0.03 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 29.88 2br2 h ARG 233 CO -0.04 0.42 -0.43 1.49 -1.07 0.00 0.00 179.97 180.34 2br2 h GLU 234 N 0.65 0.93 -0.06 0.04 4.81 -0.99 -2.80 114.58 117.16 2br2 h GLU 234 Ca 0.34 -0.51 0.02 0.00 -0.13 0.00 0.00 59.36 59.07 2br2 h GLU 234 Cb 0.31 0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.72 2br2 h GLU 234 CO -0.24 1.17 0.05 0.00 -0.73 0.00 0.00 179.01 179.26 2br2 h ALA 235 N 0.75 1.89 -0.49 2.92 0.00 -0.30 0.05 119.26 124.08 2br2 h ALA 235 Ca 0.05 -0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.83 2br2 h ALA 235 Cb 1.03 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 2br2 h ALA 235 CO 0.10 -0.09 -0.18 1.25 0.00 0.00 0.00 179.25 180.33 2br2 h LEU 236 N 0.00 1.00 0.03 0.00 5.85 -1.00 0.36 115.31 121.55 2br2 h LEU 236 Ca 0.03 -0.36 -0.00 0.00 0.84 0.00 0.00 57.88 58.39 2br2 h LEU 236 Cb 0.14 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 40.89 2br2 h LEU 236 CO -0.00 1.15 -0.01 0.11 -0.34 0.00 0.00 178.44 179.35 2br2 h LYS 237 N 0.86 -0.03 0.00 1.25 1.57 -1.09 -3.39 116.57 115.74 2br2 h LYS 237 Ca 0.12 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 2br2 h LYS 237 Cb 0.75 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.07 2br2 h LYS 237 CO 0.06 0.65 -0.69 -1.13 -0.57 0.00 0.00 179.45 177.77 2br2 n SER 238 N -4.71 0.69 0.00 0.86 3.41 -0.15 -4.96 113.62 108.76 2br2 n SER 238 Ca -0.08 -0.53 0.00 0.00 -0.26 0.00 0.00 58.87 58.01 2br2 n SER 238 Cb 0.34 0.53 0.00 0.00 -0.26 0.00 0.00 64.21 64.82 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 -1.51 0.00 -3.69 4.33 4.01 0.12 -4.92 118.16 116.50 2br2 n LYS 239 Ca 0.05 0.00 -0.11 0.00 -0.51 0.00 0.00 58.31 57.74 2br2 n LYS 239 Cb 0.33 -2.32 -0.11 0.00 -0.51 0.00 0.00 35.03 32.42 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 -2.35 -0.56 -0.05 2.13 5.04 -1.26 -1.39 117.35 118.92 2br2 s TYR 240 Ca 0.00 1.20 -0.02 0.00 -2.44 0.00 0.00 57.07 55.81 2br2 s TYR 240 Cb 0.00 0.21 0.04 0.00 0.35 0.00 0.00 41.96 42.55 2br2 s TYR 240 CO 0.00 -0.34 0.10 0.08 -1.34 0.00 0.00 175.55 174.05 2br2 s VAL 241 N 1.60 -0.06 -0.01 3.14 1.01 0.24 -4.84 120.40 121.49 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 -0.09 -0.18 -0.02 0.00 0.00 0.00 0.00 36.38 36.08 2br2 s VAL 241 CO -0.12 0.09 -0.24 -1.61 0.00 0.00 0.00 175.10 173.22 2br2 s GLU 242 N 1.20 2.09 -0.14 2.72 2.02 -1.26 -0.87 118.70 124.47 2br2 s GLU 242 Ca -0.08 -0.94 -0.04 0.00 0.02 0.00 0.00 54.97 53.92 2br2 s GLU 242 Cb -0.12 -2.08 0.07 0.00 0.10 0.00 0.00 34.13 32.09 2br2 s GLU 242 CO -0.05 0.56 0.20 0.12 0.02 0.00 0.00 175.26 176.11 2br2 s PHE 243 N -0.69 -0.26 0.42 1.61 5.36 0.26 -5.00 117.98 119.68 2br2 s PHE 243 Ca 0.11 0.53 -0.23 0.00 -0.96 0.00 0.00 56.93 56.38 2br2 s PHE 243 Cb -0.10 -0.26 -0.09 0.00 -0.34 0.00 0.00 43.02 42.23 2br2 s PHE 243 CO 0.00 -0.41 1.04 -1.59 -1.46 0.00 0.00 175.22 172.80 2br2 s LYS 244 N 2.33 4.11 0.13 10.12 -2.85 -1.26 -0.82 119.74 131.50 2br2 s LYS 244 Ca 0.04 1.45 -0.32 0.00 -1.00 0.00 0.00 55.97 56.14 2br2 s LYS 244 Cb -0.13 -2.44 -0.18 0.00 -2.06 0.00 0.00 37.83 33.02 2br2 s LYS 244 CO -0.09 -0.18 0.76 0.39 0.10 0.00 0.00 175.35 176.33 2br2 n GLU 245 N -0.26 0.10 -3.59 1.78 1.02 -1.26 -4.85 120.64 113.57 2br2 n GLU 245 Ca 0.06 0.03 -0.06 0.00 -0.02 0.00 0.00 57.16 57.18 2br2 n GLU 245 Cb 0.50 -1.24 -0.02 0.00 -0.02 0.00 0.00 31.44 30.66 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 -0.63 0.83 0.32 3.49 -1.05 -1.24 -5.00 118.70 115.42 2br2 s GLU 246 Ca 0.74 -0.37 -0.29 0.00 -0.15 0.00 0.00 54.97 54.89 2br2 s GLU 246 Cb -1.04 0.34 -0.11 0.00 -0.44 0.00 0.00 34.13 32.88 2br2 s GLU 246 CO 0.56 -0.37 1.55 0.20 0.95 0.00 0.00 175.26 178.15 2br2 s GLY 247 N -2.61 2.40 0.00 -3.83 0.00 -1.26 -2.85 107.32 99.16 2br2 s GLY 247 Ca 0.08 1.56 0.17 0.00 0.00 0.00 0.00 44.72 46.53 2br2 s GLY 247 CO -0.05 2.44 1.44 -0.62 0.00 0.00 0.00 173.10 176.31