#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2br2 h GLU 3 N 0.00 0.09 -5.64 -0.14 5.08 -2.13 -3.39 114.58 108.45 2br2 h GLU 3 Ca 0.00 -0.09 -0.31 0.00 -1.00 0.00 0.00 59.36 57.96 2br2 h GLU 3 Cb 0.00 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.23 2br2 h GLU 3 CO 0.00 0.83 0.86 0.00 -1.00 0.00 0.00 179.01 179.70 2br2 s MET 4 N -3.21 2.56 -0.30 2.33 0.23 -1.26 -4.80 119.30 114.86 2br2 s MET 4 Ca -0.17 -0.60 -0.16 0.00 -1.03 0.00 0.00 55.69 53.74 2br2 s MET 4 Cb 0.00 -5.13 0.17 0.00 -1.53 0.00 0.00 34.83 28.34 2br2 s MET 4 CO 0.71 -3.55 1.05 -1.17 -2.03 0.00 0.00 175.02 170.03 2br2 s LEU 5 N 10.28 -0.44 0.04 0.18 2.96 -1.26 -5.17 118.68 125.26 2br2 s LEU 5 Ca 0.69 0.65 0.03 0.00 -0.22 0.00 0.00 54.13 55.28 2br2 s LEU 5 Cb -0.05 1.56 -0.04 0.00 0.50 0.00 0.00 46.19 48.17 2br2 s LEU 5 CO 0.04 -0.10 -0.00 -1.10 -1.32 0.00 0.00 176.35 173.87 2br2 s GLN 6 N 1.91 2.66 0.00 1.98 -0.21 -1.26 -4.99 119.66 119.75 2br2 s GLN 6 Ca -0.05 -0.72 0.00 0.00 0.02 0.00 0.00 55.36 54.61 2br2 s GLN 6 Cb -0.04 -2.60 0.00 0.00 1.00 0.00 0.00 33.01 31.37 2br2 s GLN 6 CO -0.16 0.58 0.65 1.55 -2.12 0.00 0.00 175.29 175.79 2br2 n VAL 7 N 1.02 0.83 -2.46 1.09 3.14 -1.26 -4.78 118.33 115.91 2br2 n VAL 7 Ca -0.13 0.30 -0.21 0.00 -2.96 0.00 0.00 64.34 61.35 2br2 n VAL 7 Cb 0.52 -1.30 -0.01 0.00 -1.06 0.00 0.00 33.84 31.99 2br2 n VAL 7 CO 0.00 0.00 0.00 -1.84 -6.46 0.00 0.00 176.83 168.53 2br2 n GLU 8 N -1.15 -2.00 -3.67 1.45 0.00 -1.26 -4.94 120.64 109.07 2br2 n GLU 8 Ca 0.00 1.00 -0.10 0.00 0.00 0.00 0.00 57.16 58.06 2br2 n GLU 8 Cb 0.10 -5.68 -0.09 0.00 0.00 0.00 0.00 31.44 25.77 2br2 n GLU 8 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.13 177.63 2br2 s ARG 9 N -5.11 0.60 0.42 3.44 3.52 -1.26 -5.15 118.95 115.41 2br2 s ARG 9 Ca 0.03 0.95 -0.25 0.00 -0.13 0.00 0.00 55.73 56.33 2br2 s ARG 9 Cb -0.01 0.15 -0.08 0.00 -1.56 0.00 0.00 34.95 33.44 2br2 s ARG 9 CO 0.04 -0.13 1.24 -1.25 -0.81 0.00 0.00 175.30 174.39 2br2 s PRO 10 N 1.13 3.93 0.31 5.12 0.04 -1.26 -4.97 135.00 139.31 2br2 s PRO 10 Ca -0.07 1.99 -0.29 0.00 0.04 0.00 0.00 61.00 62.67 2br2 s PRO 10 Cb -0.06 -2.66 -0.11 0.00 0.04 0.00 0.00 34.50 31.72 2br2 s PRO 10 CO -0.11 -0.47 1.46 0.15 0.04 0.00 0.00 177.00 178.07 2br2 s LYS 11 N -2.35 4.20 -0.02 4.56 -0.14 -1.26 -4.94 119.74 119.80 2br2 s LYS 11 Ca 0.58 2.43 0.15 0.00 -1.36 0.00 0.00 55.97 57.77 2br2 s LYS 11 Cb -0.34 -3.04 -0.22 0.00 -1.68 0.00 0.00 37.83 32.55 2br2 s LYS 11 CO 0.43 -0.46 0.36 1.28 -0.76 0.00 0.00 175.35 176.21 2br2 n LEU 12 N 1.42 0.09 -4.15 3.17 4.77 -1.26 -4.84 117.00 116.20 2br2 n LEU 12 Ca 0.04 -0.06 -0.33 0.00 -0.03 0.00 0.00 56.01 55.62 2br2 n LEU 12 Cb 0.40 0.00 -0.16 0.00 -2.33 0.00 0.00 43.42 41.33 2br2 n LEU 12 CO 0.62 0.02 -0.50 -0.63 -1.33 0.00 0.00 177.39 175.58 2br2 s ILE 13 N -2.94 2.32 0.00 -0.08 -1.09 -1.26 -3.88 121.20 114.26 2br2 s ILE 13 Ca -0.04 -0.92 0.00 0.00 -2.23 0.00 0.00 60.65 57.46 2br2 s ILE 13 Cb 0.10 -2.03 0.00 0.00 -1.58 0.00 0.00 42.46 38.95 2br2 s ILE 13 CO 0.61 0.47 0.00 0.18 -1.23 0.00 0.00 174.94 174.97 2br2 n LEU 14 N 4.64 0.00 -4.76 2.97 4.77 0.33 -4.95 117.00 120.00 2br2 n LEU 14 Ca -0.20 0.00 -0.40 0.00 -0.03 0.00 0.00 56.01 55.39 2br2 n LEU 14 Cb 0.49 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.60 2br2 n LEU 14 CO 0.26 0.00 1.03 -0.62 -1.33 0.00 0.00 177.39 176.73 2br2 s ASP 15 N 0.55 5.91 0.49 -1.43 2.15 -1.26 -4.02 116.67 119.05 2br2 s ASP 15 Ca 0.00 2.84 0.00 0.00 0.43 0.00 0.00 52.55 55.82 2br2 s ASP 15 Cb 0.00 -2.65 0.00 0.00 -0.30 0.00 0.00 42.92 39.97 2br2 s ASP 15 CO 0.00 -1.14 0.00 0.47 -0.17 0.00 0.00 175.17 174.33 2br2 n ASP 16 N -0.22 -3.32 0.00 -0.34 8.00 -1.26 -2.53 116.55 116.88 2br2 n ASP 16 Ca 0.05 0.09 0.00 0.00 0.71 0.00 0.00 54.79 55.65 2br2 n ASP 16 Cb 0.43 -0.28 0.02 0.00 -0.02 0.00 0.00 41.12 41.27 2br2 n ASP 16 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2br2 n GLY 17 N -0.27 -0.28 3.89 0.44 0.00 -1.26 -4.89 105.19 102.81 2br2 n GLY 17 Ca 0.00 -0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.00 3.71 0.52 1.61 1.02 -1.05 -4.38 119.74 119.17 2br2 s LYS 18 Ca 0.01 0.29 0.00 0.00 0.02 0.00 0.00 55.97 56.29 2br2 s LYS 18 Cb 0.01 -2.47 0.10 0.00 -0.52 0.00 0.00 37.83 34.95 2br2 s LYS 18 CO 0.01 0.03 0.71 0.54 -0.92 0.00 0.00 175.35 175.72 2br2 n ARG 19 N -1.29 0.11 0.25 1.68 1.74 0.11 0.12 116.66 119.39 2br2 n ARG 19 Ca 0.01 -1.96 0.11 0.00 -0.77 0.00 0.00 57.85 55.24 2br2 n ARG 19 Cb 0.54 -0.47 0.67 0.00 -1.02 0.00 0.00 32.46 32.18 2br2 n ARG 19 CO 0.00 0.00 0.00 1.79 -1.52 0.00 0.00 177.63 177.90 2br2 h THR 20 N -0.53 0.63 -0.46 0.55 1.35 -1.88 -0.65 112.91 111.92 2br2 h THR 20 Ca -0.24 -0.64 0.00 0.00 -0.55 0.00 0.00 66.41 64.99 2br2 h THR 20 Cb 0.88 1.41 0.00 0.00 -1.73 0.00 0.00 68.15 68.70 2br2 h THR 20 CO 0.26 0.14 0.00 -0.90 -0.25 0.00 0.00 175.52 174.77 2br2 n ASP 21 N -3.67 3.28 0.00 5.36 3.85 -1.26 -4.94 116.55 119.16 2br2 n ASP 21 Ca -0.02 -1.96 0.00 0.00 -0.71 0.00 0.00 54.79 52.10 2br2 n ASP 21 Cb 0.27 -0.30 0.00 0.00 -1.35 0.00 0.00 41.12 39.74 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 1.48 0.72 3.81 6.12 0.00 -0.25 -5.05 105.19 112.02 2br2 n GLY 22 Ca 0.20 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.70 3.71 0.57 1.61 0.52 -1.26 -4.58 118.95 118.82 2br2 s ARG 23 Ca 0.00 1.21 -0.13 0.00 -0.52 0.00 0.00 55.73 56.29 2br2 s ARG 23 Cb 0.00 -2.09 -0.05 0.00 0.52 0.00 0.00 34.95 33.33 2br2 s ARG 23 CO 0.00 -0.49 1.00 0.15 0.02 0.00 0.00 175.30 175.98 2br2 s LYS 24 N -3.67 3.72 0.55 3.54 1.02 -1.26 0.06 119.74 123.71 2br2 s LYS 24 Ca 0.64 0.79 0.30 0.00 0.02 0.00 0.00 55.97 57.72 2br2 s LYS 24 Cb -0.14 -2.12 1.46 0.00 -0.52 0.00 0.00 37.83 36.51 2br2 s LYS 24 CO 0.27 -0.44 1.90 -1.35 -0.92 0.00 0.00 175.35 174.81 2br2 h PRO 25 N 0.16 0.00 -0.68 -1.68 0.11 -1.89 -1.77 132.00 126.25 2br2 h PRO 25 Ca -0.45 0.00 -0.25 0.00 0.11 0.00 0.00 66.00 65.41 2br2 h PRO 25 Cb 1.19 0.00 -0.15 0.00 0.11 0.00 0.00 31.00 32.15 2br2 h PRO 25 CO 0.62 0.00 0.26 -0.40 -0.21 0.00 0.00 178.00 178.27 2br2 n ASP 26 N -4.10 4.17 -4.45 -2.05 5.75 -1.26 -0.61 116.55 114.00 2br2 n ASP 26 Ca 0.14 -3.36 -0.33 0.00 -0.01 0.00 0.00 54.79 51.22 2br2 n ASP 26 Cb 0.83 -0.73 -0.13 0.00 -1.03 0.00 0.00 41.12 40.06 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 -3.08 3.37 0.52 0.11 2.02 -0.67 -0.71 118.70 120.26 2br2 s GLU 27 Ca 0.53 -0.60 -0.18 0.00 0.02 0.00 0.00 54.97 54.73 2br2 s GLU 27 Cb 0.43 -2.72 -0.07 0.00 0.10 0.00 0.00 34.13 31.87 2br2 s GLU 27 CO 0.10 0.31 1.01 -0.51 0.02 0.00 0.00 175.26 176.19 2br2 s LEU 28 N 0.14 3.69 0.98 1.80 1.43 -1.14 -4.74 118.68 120.84 2br2 s LEU 28 Ca -0.04 1.74 -0.12 0.00 -1.03 0.00 0.00 54.13 54.68 2br2 s LEU 28 Cb -0.14 -4.53 0.18 0.00 0.03 0.00 0.00 46.19 41.72 2br2 s LEU 28 CO 0.04 -0.76 1.11 -0.13 0.23 0.00 0.00 176.35 176.83 2br2 s ARG 29 N -3.73 0.59 0.53 1.70 0.52 -1.26 -3.55 118.95 113.75 2br2 s ARG 29 Ca 0.63 0.42 -0.21 0.00 -0.52 0.00 0.00 55.73 56.05 2br2 s ARG 29 Cb -0.13 -1.76 -0.05 0.00 0.52 0.00 0.00 34.95 33.52 2br2 s ARG 29 CO 0.27 -2.60 1.22 -1.54 0.02 0.00 0.00 175.30 172.67 2br2 s SER 30 N -3.64 5.63 -0.03 0.23 1.04 -1.26 -4.56 113.70 111.10 2br2 s SER 30 Ca 0.65 2.42 0.08 0.00 0.48 0.00 0.00 55.95 59.57 2br2 s SER 30 Cb -0.17 -2.61 -0.02 0.00 0.10 0.00 0.00 66.02 63.32 2br2 s SER 30 CO 0.56 -1.30 -0.26 -0.63 0.98 0.00 0.00 173.24 172.60 2br2 s ILE 31 N -1.53 2.08 -0.03 -1.02 1.01 -0.06 -0.13 121.20 121.52 2br2 s ILE 31 Ca 0.71 -1.09 0.00 0.00 0.00 0.00 0.00 60.65 60.27 2br2 s ILE 31 Cb -0.31 -1.72 0.03 0.00 0.01 0.00 0.00 42.46 40.46 2br2 s ILE 31 CO 0.36 0.58 -0.00 -0.75 0.00 0.00 0.00 174.94 175.13 2br2 s LYS 32 N -0.52 0.33 -0.04 2.79 2.20 -0.44 -0.51 119.74 123.54 2br2 s LYS 32 Ca 0.07 0.06 0.01 0.00 -0.36 0.00 0.00 55.97 55.76 2br2 s LYS 32 Cb -0.11 -0.49 0.02 0.00 -1.51 0.00 0.00 37.83 35.73 2br2 s LYS 32 CO -0.00 -0.13 -0.05 0.42 -0.36 0.00 0.00 175.35 175.23 2br2 s ILE 33 N 0.98 0.56 0.02 5.43 1.01 0.01 -0.12 121.20 129.09 2br2 s ILE 33 Ca -0.10 -0.17 -0.03 0.00 0.00 0.00 0.00 60.65 60.35 2br2 s ILE 33 Cb -0.14 -0.56 -0.01 0.00 0.01 0.00 0.00 42.46 41.76 2br2 s ILE 33 CO -0.02 0.22 0.03 -1.83 0.00 0.00 0.00 174.94 173.34 2br2 s GLU 34 N 0.69 0.38 0.27 2.79 -1.05 -0.50 -0.30 118.70 120.98 2br2 s GLU 34 Ca -0.09 -0.55 0.11 0.00 -0.15 0.00 0.00 54.97 54.28 2br2 s GLU 34 Cb -0.13 0.15 -0.05 0.00 -0.44 0.00 0.00 34.13 33.66 2br2 s GLU 34 CO 0.00 -0.08 -0.13 -0.51 0.95 0.00 0.00 175.26 175.50 2br2 s LEU 35 N -1.48 2.81 -1.30 1.83 1.02 -0.35 -0.40 118.68 120.80 2br2 s LEU 35 Ca -0.15 -0.87 -0.07 0.00 0.02 0.00 0.00 54.13 53.07 2br2 s LEU 35 Cb -0.09 -1.34 0.01 0.00 0.02 0.00 0.00 46.19 44.79 2br2 s LEU 35 CO -0.00 0.03 0.90 0.61 0.02 0.00 0.00 176.35 177.91 2br2 n GLY 36 N -0.64 -0.41 0.16 -3.19 0.00 0.52 -4.90 105.19 96.73 2br2 n GLY 36 Ca -0.06 0.13 0.12 0.00 0.00 0.00 0.00 46.02 46.21 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 -2.06 0.00 -3.38 1.61 3.04 -1.86 -3.44 116.25 110.16 2br2 h VAL 37 Ca -0.51 -0.94 -0.65 0.00 -1.01 0.00 0.00 66.70 63.59 2br2 h VAL 37 Cb 1.34 1.68 -0.26 0.00 -2.01 0.00 0.00 31.29 32.03 2br2 h VAL 37 CO 0.51 0.00 -0.71 -0.76 -1.01 0.00 0.00 177.57 175.60 2br2 s LEU 38 N -5.60 2.98 0.08 3.16 1.43 -1.26 -5.02 118.68 114.44 2br2 s LEU 38 Ca 0.04 -0.31 -0.17 0.00 -1.03 0.00 0.00 54.13 52.65 2br2 s LEU 38 Cb 0.08 -1.74 -0.10 0.00 0.03 0.00 0.00 46.19 44.46 2br2 s LEU 38 CO 0.73 0.05 1.40 0.11 0.23 0.00 0.00 176.35 178.87 2br2 h LYS 39 N 7.59 0.56 -0.58 1.70 6.56 -2.01 -3.28 116.57 127.11 2br2 h LYS 39 Ca -0.36 -0.29 0.00 0.00 -1.06 0.00 0.00 60.65 58.94 2br2 h LYS 39 Cb 1.18 0.01 0.00 0.00 -0.57 0.00 0.00 32.23 32.84 2br2 h LYS 39 CO 0.60 0.87 0.00 0.09 -2.06 0.00 0.00 179.45 178.95 2br2 n ASN 40 N -4.40 2.73 -4.64 0.86 3.02 -1.26 -4.85 115.26 106.72 2br2 n ASN 40 Ca -0.05 -2.24 -0.23 0.00 -0.03 0.00 0.00 54.58 52.03 2br2 n ASN 40 Cb 0.41 -0.42 -0.07 0.00 -0.61 0.00 0.00 39.78 39.09 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 -1.70 3.16 0.15 5.41 0.00 -1.24 -5.04 121.76 122.50 2br2 s ALA 41 Ca 0.27 -1.62 0.06 0.00 0.00 0.00 0.00 51.96 50.66 2br2 s ALA 41 Cb 0.17 -0.79 -0.09 0.00 0.00 0.00 0.00 23.12 22.41 2br2 s ALA 41 CO 0.13 0.29 1.34 -0.44 0.00 0.00 0.00 175.76 177.07 2br2 h ASP 42 N 1.98 0.08 -4.97 0.00 3.32 -1.23 -3.46 116.42 112.14 2br2 h ASP 42 Ca -0.45 -0.07 -0.10 0.00 0.02 0.00 0.00 57.03 56.44 2br2 h ASP 42 Cb 1.24 -0.02 -0.20 0.00 0.22 0.00 0.00 39.33 40.57 2br2 h ASP 42 CO 0.60 0.97 -0.10 -0.83 -1.72 0.00 0.00 179.24 178.16 2br2 s GLY 43 N -4.63 -0.32 -0.01 2.75 0.00 -1.02 -3.86 107.32 100.22 2br2 s GLY 43 Ca -0.00 0.72 -0.22 0.00 0.00 0.00 0.00 44.72 45.22 2br2 s GLY 43 CO 0.82 0.46 0.47 -1.35 0.00 0.00 0.00 173.10 173.50 2br2 s SER 44 N -1.24 -0.39 -0.04 1.64 1.04 -1.25 0.08 113.70 113.54 2br2 s SER 44 Ca -0.12 0.31 -0.15 0.00 0.48 0.00 0.00 55.95 56.46 2br2 s SER 44 Cb -0.03 0.42 0.03 0.00 0.10 0.00 0.00 66.02 66.54 2br2 s SER 44 CO 0.06 -0.56 0.34 0.00 0.98 0.00 0.00 173.24 174.07 2br2 s ALA 45 N -1.52 -0.86 -0.13 5.32 0.00 -0.69 -0.35 121.76 123.53 2br2 s ALA 45 Ca -0.11 0.51 -0.01 0.00 0.00 0.00 0.00 51.96 52.35 2br2 s ALA 45 Cb -0.02 -0.05 -0.02 0.00 0.00 0.00 0.00 23.12 23.03 2br2 s ALA 45 CO 0.05 -0.25 -0.11 0.42 0.00 0.00 0.00 175.76 175.87 2br2 s ILE 46 N -1.04 3.26 -0.07 0.00 1.01 0.46 -0.93 121.20 123.88 2br2 s ILE 46 Ca -0.11 -0.59 0.04 0.00 0.00 0.00 0.00 60.65 59.99 2br2 s ILE 46 Cb -0.04 -2.38 0.00 0.00 0.01 0.00 0.00 42.46 40.05 2br2 s ILE 46 CO 0.04 0.52 -0.19 0.12 0.00 0.00 0.00 174.94 175.43 2br2 s PHE 47 N 0.28 2.05 -0.11 3.97 5.36 -0.45 -1.41 117.98 127.66 2br2 s PHE 47 Ca -0.08 -0.74 0.01 0.00 -0.96 0.00 0.00 56.93 55.16 2br2 s PHE 47 Cb -0.15 -1.39 0.02 0.00 -0.34 0.00 0.00 43.02 41.15 2br2 s PHE 47 CO 0.05 -0.30 -0.13 -1.21 -1.46 0.00 0.00 175.22 172.17 2br2 s GLU 48 N 0.29 2.05 -0.27 10.12 2.02 0.83 -1.32 118.70 132.42 2br2 s GLU 48 Ca -0.12 -0.49 -0.02 0.00 0.02 0.00 0.00 54.97 54.36 2br2 s GLU 48 Cb -0.15 -1.81 0.03 0.00 0.10 0.00 0.00 34.13 32.30 2br2 s GLU 48 CO 0.05 -0.12 -0.03 -1.64 0.02 0.00 0.00 175.26 173.54 2br2 s MET 49 N 1.16 2.68 3.56 1.61 -1.94 0.12 -1.33 119.30 125.16 2br2 s MET 49 Ca -0.04 -1.09 0.00 0.00 -1.71 0.00 0.00 55.69 52.86 2br2 s MET 49 Cb -0.14 -3.07 0.00 0.00 2.01 0.00 0.00 34.83 33.63 2br2 s MET 49 CO -0.04 -0.49 0.00 0.41 -0.01 0.00 0.00 175.02 174.90 2br2 n GLY 50 N 4.65 2.97 0.70 -0.03 0.00 0.81 -0.63 105.19 113.66 2br2 n GLY 50 Ca -0.15 0.28 0.12 0.00 0.00 0.00 0.00 46.02 46.28 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 5.50 2.29 -4.67 1.61 3.02 -1.26 -4.83 115.26 116.92 2br2 n ASN 51 Ca 0.00 -1.69 -0.41 0.00 -0.03 0.00 0.00 54.58 52.44 2br2 n ASN 51 Cb 0.00 0.11 -0.04 0.00 -0.61 0.00 0.00 39.78 39.24 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 -2.14 4.89 -0.05 3.41 2.01 0.20 -4.32 115.64 119.63 2br2 s THR 52 Ca 0.28 1.59 0.00 0.00 0.31 0.00 0.00 61.69 63.87 2br2 s THR 52 Cb 0.20 -4.12 0.02 0.00 0.01 0.00 0.00 72.50 68.61 2br2 s THR 52 CO 0.38 0.03 -0.03 -0.54 -0.69 0.00 0.00 174.62 173.77 2br2 s LYS 53 N 2.18 0.75 0.05 4.92 1.02 0.09 -0.70 119.74 128.05 2br2 s LYS 53 Ca 0.37 -0.03 0.05 0.00 0.02 0.00 0.00 55.97 56.38 2br2 s LYS 53 Cb -0.16 -0.88 -0.02 0.00 -0.52 0.00 0.00 37.83 36.24 2br2 s LYS 53 CO 0.12 -0.16 -0.15 0.00 -0.92 0.00 0.00 175.35 174.24 2br2 s ALA 54 N 1.26 1.28 -0.06 5.17 0.00 -0.44 0.06 121.76 129.04 2br2 s ALA 54 Ca -0.06 -0.91 0.04 0.00 0.00 0.00 0.00 51.96 51.03 2br2 s ALA 54 Cb -0.14 -0.19 -0.02 0.00 0.00 0.00 0.00 23.12 22.77 2br2 s ALA 54 CO -0.02 0.24 -0.16 -1.50 0.00 0.00 0.00 175.76 174.32 2br2 s ILE 55 N -0.93 2.87 -0.01 0.00 2.07 -0.00 -1.35 121.20 123.86 2br2 s ILE 55 Ca 0.02 -0.78 0.05 0.00 -1.41 0.00 0.00 60.65 58.53 2br2 s ILE 55 Cb -0.08 -2.12 -0.01 0.00 0.13 0.00 0.00 42.46 40.37 2br2 s ILE 55 CO 0.02 0.58 -0.16 0.00 -1.91 0.00 0.00 174.94 173.46 2br2 s ALA 56 N -0.48 1.36 -0.02 1.50 0.00 -0.11 -0.60 121.76 123.41 2br2 s ALA 56 Ca 0.06 -0.71 0.04 0.00 0.00 0.00 0.00 51.96 51.35 2br2 s ALA 56 Cb -0.12 -0.34 -0.01 0.00 0.00 0.00 0.00 23.12 22.65 2br2 s ALA 56 CO 0.02 0.33 -0.15 0.00 0.00 0.00 0.00 175.76 175.96 2br2 s ALA 57 N -0.40 1.30 -0.12 0.00 0.00 0.39 -1.70 121.76 121.23 2br2 s ALA 57 Ca 0.06 -0.64 0.01 0.00 0.00 0.00 0.00 51.96 51.39 2br2 s ALA 57 Cb -0.06 -0.36 -0.01 0.00 0.00 0.00 0.00 23.12 22.68 2br2 s ALA 57 CO -0.01 0.29 -0.17 0.08 0.00 0.00 0.00 175.76 175.96 2br2 s VAL 58 N -0.23 2.73 -0.37 0.00 1.01 0.11 -0.57 120.40 123.08 2br2 s VAL 58 Ca 0.03 -0.78 -0.04 0.00 0.00 0.00 0.00 61.98 61.19 2br2 s VAL 58 Cb -0.07 -2.11 0.08 0.00 0.00 0.00 0.00 36.38 34.28 2br2 s VAL 58 CO 0.00 0.54 0.15 -0.31 0.00 0.00 0.00 175.10 175.48 2br2 s TYR 59 N 0.30 3.43 1.37 5.22 1.51 -0.20 -0.69 117.35 128.28 2br2 s TYR 59 Ca -0.13 -2.04 -0.22 0.00 -1.01 0.00 0.00 57.07 53.68 2br2 s TYR 59 Cb -0.16 -2.80 0.34 0.00 -0.11 0.00 0.00 41.96 39.23 2br2 s TYR 59 CO 0.07 -0.89 0.76 0.41 -1.11 0.00 0.00 175.55 174.79 2br2 n GLY 60 N 4.67 -3.56 3.67 0.71 0.00 -1.26 -2.64 105.19 106.79 2br2 n GLY 60 Ca -0.07 -1.49 -0.46 0.00 0.00 0.00 0.00 46.02 43.99 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 -4.86 2.22 -3.76 1.61 -0.02 -1.26 -4.68 135.00 124.26 2br2 n PRO 61 Ca 0.12 0.81 -0.13 0.00 -2.02 0.00 0.00 63.50 62.27 2br2 n PRO 61 Cb 0.53 -2.61 -0.09 0.00 -0.02 0.00 0.00 33.50 31.31 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 1.92 0.57 0.27 -0.52 -2.85 -0.94 -4.95 119.74 113.25 2br2 s LYS 62 Ca 0.83 0.05 -0.29 0.00 -1.00 0.00 0.00 55.97 55.56 2br2 s LYS 62 Cb -0.66 0.26 -0.14 0.00 -2.06 0.00 0.00 37.83 35.22 2br2 s LYS 62 CO 0.41 -0.13 0.98 0.39 0.10 0.00 0.00 175.35 177.09 2br2 n GLU 63 N 1.86 1.19 -3.55 1.78 1.02 -1.26 -0.28 120.64 121.39 2br2 n GLU 63 Ca -0.18 0.42 -0.36 0.00 -0.02 0.00 0.00 57.16 57.01 2br2 n GLU 63 Cb 0.57 -1.76 -0.07 0.00 -0.02 0.00 0.00 31.44 30.15 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 -1.37 4.23 0.00 3.49 1.75 -1.20 -4.69 119.30 121.51 2br2 s MET 64 Ca 0.61 0.08 0.00 0.00 -1.25 0.00 0.00 55.69 55.13 2br2 s MET 64 Cb -0.74 -3.42 0.00 0.00 2.84 0.00 0.00 34.83 33.51 2br2 s MET 64 CO 0.59 0.26 0.55 -2.39 -0.65 0.00 0.00 175.02 173.37 2br2 n HIS 65 N 3.51 0.00 -3.18 4.11 1.44 -1.26 -3.83 115.22 116.00 2br2 n HIS 65 Ca -0.12 0.00 -0.41 0.00 -2.01 0.00 0.00 57.72 55.17 2br2 n HIS 65 Cb 0.52 -0.10 -0.07 0.00 0.12 0.00 0.00 29.99 30.46 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 -1.45 3.67 0.43 -1.40 0.05 -1.26 -4.97 135.00 130.06 2br2 s PRO 66 Ca 0.00 -0.04 0.12 0.00 0.05 0.00 0.00 61.00 61.13 2br2 s PRO 66 Cb 0.00 -3.80 0.98 0.00 0.05 0.00 0.00 34.50 31.73 2br2 s PRO 66 CO 0.00 -0.67 2.00 -0.09 0.05 0.00 0.00 177.00 178.29 2br2 h ARG 67 N 8.43 0.44 0.00 4.56 2.43 -1.99 -1.52 114.38 126.73 2br2 h ARG 67 Ca -0.27 -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 0.80 0.29 -0.00 1.12 -1.51 0.00 0.00 179.97 180.67 2br2 h HIS 68 N 0.46 0.00 -0.01 2.20 2.07 -1.93 -0.57 115.15 117.37 2br2 h HIS 68 Ca 0.25 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.77 2br2 h HIS 68 Cb 0.39 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.37 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 -3.23 0.88 -4.96 6.12 4.77 -0.57 -4.89 117.00 115.11 2br2 n LEU 69 Ca -0.03 -0.19 -0.24 0.00 -0.03 0.00 0.00 56.01 55.52 2br2 n LEU 69 Cb 0.08 -0.13 0.08 0.00 -2.33 0.00 0.00 43.42 41.12 2br2 n LEU 69 CO 0.22 0.16 0.55 -0.94 -1.33 0.00 0.00 177.39 176.05 2br2 s SER 70 N -2.45 4.65 0.04 -1.43 1.04 -0.22 -5.00 113.70 110.33 2br2 s SER 70 Ca 0.27 0.08 0.08 0.00 0.48 0.00 0.00 55.95 56.86 2br2 s SER 70 Cb 0.20 -0.66 -0.03 0.00 0.10 0.00 0.00 66.02 65.63 2br2 s SER 70 CO 0.49 -1.65 -0.24 -0.76 0.98 0.00 0.00 173.24 172.06 2br2 s LEU 71 N -5.14 2.15 0.42 2.42 1.43 -1.26 -5.02 118.68 113.69 2br2 s LEU 71 Ca 0.62 -0.55 0.26 0.00 -1.03 0.00 0.00 54.13 53.44 2br2 s LEU 71 Cb -0.08 -1.17 0.73 0.00 0.03 0.00 0.00 46.19 45.70 2br2 s LEU 71 CO 0.44 0.23 1.74 1.55 0.23 0.00 0.00 176.35 180.54 2br2 h PRO 72 N 4.90 0.00 0.00 1.29 0.13 -1.97 -0.84 132.00 135.51 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 0.00 -0.43 -0.40 -0.23 0.00 0.00 178.00 177.38 2br2 n ASP 73 N -2.92 1.03 -3.96 1.44 5.75 -1.26 -4.61 116.55 112.03 2br2 n ASP 73 Ca 0.03 -0.47 -0.08 0.00 -0.01 0.00 0.00 54.79 54.26 2br2 n ASP 73 Cb 0.43 1.05 -0.08 0.00 -1.03 0.00 0.00 41.12 41.49 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 -1.61 0.82 0.43 0.11 0.52 -1.26 -4.39 118.95 113.58 2br2 s ARG 74 Ca 0.01 -1.10 -0.18 0.00 -0.52 0.00 0.00 55.73 53.94 2br2 s ARG 74 Cb 0.03 0.30 -0.09 0.00 0.52 0.00 0.00 34.95 35.71 2br2 s ARG 74 CO 0.18 -0.24 0.90 0.00 0.02 0.00 0.00 175.30 176.16 2br2 s ALA 75 N -3.91 3.13 -0.23 2.13 0.00 0.09 -2.96 121.76 120.02 2br2 s ALA 75 Ca 0.09 0.22 -0.14 0.00 0.00 0.00 0.00 51.96 52.13 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 0.06 0.32 0.08 0.00 0.00 0.00 175.76 176.14 2br2 s VAL 76 N -2.28 5.24 -0.01 0.00 1.01 -0.15 -4.93 120.40 119.29 2br2 s VAL 76 Ca 0.59 0.53 -0.24 0.00 0.00 0.00 0.00 61.98 62.85 2br2 s VAL 76 Cb -0.10 -3.66 -0.05 0.00 0.00 0.00 0.00 36.38 32.58 2br2 s VAL 76 CO 0.20 0.26 0.74 -0.76 0.00 0.00 0.00 175.10 175.54 2br2 s LEU 77 N 1.41 4.39 -0.21 3.92 1.43 -1.26 -0.91 118.68 127.46 2br2 s LEU 77 Ca 0.15 1.34 0.00 0.00 -1.03 0.00 0.00 54.13 54.59 2br2 s LEU 77 Cb -0.15 -3.17 0.02 0.00 0.03 0.00 0.00 46.19 42.93 2br2 s LEU 77 CO 0.07 -0.05 -0.14 -0.13 0.23 0.00 0.00 176.35 176.34 2br2 s ARG 78 N 0.33 2.90 -0.04 1.70 0.52 -0.46 -4.95 118.95 118.94 2br2 s ARG 78 Ca 0.38 -0.91 0.05 0.00 -0.52 0.00 0.00 55.73 54.74 2br2 s ARG 78 Cb -0.19 -2.75 -0.01 0.00 0.52 0.00 0.00 34.95 32.52 2br2 s ARG 78 CO 0.21 -0.30 -0.20 0.08 0.02 0.00 0.00 175.30 175.11 2br2 s VAL 79 N 1.29 1.64 -0.20 3.52 1.01 -1.26 -0.29 120.40 126.11 2br2 s VAL 79 Ca 0.02 -0.85 0.01 0.00 0.00 0.00 0.00 61.98 61.16 2br2 s VAL 79 Cb -0.15 -1.39 0.04 0.00 0.00 0.00 0.00 36.38 34.88 2br2 s VAL 79 CO -0.09 0.47 -0.11 -0.60 0.00 0.00 0.00 175.10 174.76 2br2 s ARG 80 N -0.14 2.14 -0.25 2.72 3.52 -0.66 -4.90 118.95 121.37 2br2 s ARG 80 Ca -0.01 -0.87 -0.12 0.00 -0.13 0.00 0.00 55.73 54.60 2br2 s ARG 80 Cb -0.11 -2.45 -0.05 0.00 -1.56 0.00 0.00 34.95 30.78 2br2 s ARG 80 CO 0.02 -0.41 0.24 -0.47 -0.81 0.00 0.00 175.30 173.86 2br2 s TYR 81 N 1.37 3.28 -0.07 5.12 5.04 -1.26 -1.09 117.35 129.74 2br2 s TYR 81 Ca -0.01 0.28 -0.07 0.00 -2.44 0.00 0.00 57.07 54.83 2br2 s TYR 81 Cb -0.16 -2.39 0.02 0.00 0.35 0.00 0.00 41.96 39.78 2br2 s TYR 81 CO -0.08 -0.06 0.20 -1.58 -1.34 0.00 0.00 175.55 172.68 2br2 s HIS 82 N 1.48 -0.22 -0.19 4.97 2.46 -1.01 -4.82 115.29 117.96 2br2 s HIS 82 Ca 0.10 0.53 -0.06 0.00 0.47 0.00 0.00 55.06 56.11 2br2 s HIS 82 Cb -0.15 0.07 -0.03 0.00 -0.13 0.00 0.00 32.58 32.34 2br2 s HIS 82 CO 0.08 -0.11 0.03 -1.64 -2.47 0.00 0.00 174.74 170.63 2br2 s MET 83 N 0.10 3.80 0.54 2.88 1.00 -1.26 -0.18 119.30 126.18 2br2 s MET 83 Ca -0.00 -0.43 -0.20 0.00 0.00 0.00 0.00 55.69 55.06 2br2 s MET 83 Cb -0.01 -3.13 -0.05 0.00 0.00 0.00 0.00 34.83 31.63 2br2 s MET 83 CO 0.00 0.17 1.17 0.95 0.00 0.00 0.00 175.02 177.31 2br2 s THR 84 N 0.62 2.96 0.63 2.05 -4.23 -0.60 -4.83 115.64 112.24 2br2 s THR 84 Ca 0.01 0.63 0.35 0.00 -1.18 0.00 0.00 61.69 61.50 2br2 s THR 84 Cb -0.14 -3.27 0.39 0.00 1.34 0.00 0.00 72.50 70.82 2br2 s THR 84 CO 0.02 -0.10 2.25 -0.65 -0.54 0.00 0.00 174.62 175.59 2br2 h PRO 85 N 1.28 0.00 -0.50 3.99 0.11 -1.90 -1.84 132.00 133.14 2br2 h PRO 85 Ca -0.50 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.55 2br2 h PRO 85 Cb 1.27 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.34 2br2 h PRO 85 CO 0.57 0.00 0.06 1.97 -0.21 0.00 0.00 178.00 180.39 2br2 n PHE 86 N -3.47 1.74 0.60 0.65 1.16 -1.26 -2.14 117.46 114.74 2br2 n PHE 86 Ca -0.02 -0.95 0.12 0.00 -1.87 0.00 0.00 57.45 54.74 2br2 n PHE 86 Cb 0.15 -0.49 0.26 0.00 -1.61 0.00 0.00 39.48 37.79 2br2 n PHE 86 CO 0.00 0.00 0.00 -1.13 -1.87 0.00 0.00 176.76 173.76 2br2 n SER 87 N -0.05 0.74 -4.47 5.98 3.41 -0.69 -4.85 113.62 113.68 2br2 n SER 87 Ca 0.29 0.29 -0.26 0.00 -0.26 0.00 0.00 58.87 58.93 2br2 n SER 87 Cb 1.14 -0.21 -0.09 0.00 -0.26 0.00 0.00 64.21 64.78 2br2 n SER 87 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2br2 s THR 88 N -3.14 1.21 0.14 6.66 -4.23 -1.26 -0.26 115.64 114.75 2br2 s THR 88 Ca 0.08 -2.00 -0.14 0.00 -1.18 0.00 0.00 61.69 58.45 2br2 s THR 88 Cb 0.13 -2.60 -0.00 0.00 1.34 0.00 0.00 72.50 71.37 2br2 s THR 88 CO 0.67 0.00 1.59 0.44 -0.54 0.00 0.00 174.62 176.78 2br2 h ASP 89 N 1.81 0.76 -2.88 3.99 3.32 -1.91 -3.41 116.42 118.09 2br2 h ASP 89 Ca -0.41 -0.30 -0.64 0.00 0.02 0.00 0.00 57.03 55.70 2br2 h ASP 89 Cb 1.27 -0.20 -0.07 0.00 0.22 0.00 0.00 39.33 40.54 2br2 h ASP 89 CO 0.70 0.87 -0.39 -1.61 -1.72 0.00 0.00 179.24 177.09 2br2 s GLU 90 N -5.03 3.74 0.12 3.56 2.02 -1.26 -5.04 118.70 116.80 2br2 s GLU 90 Ca -0.13 0.03 -0.31 0.00 0.02 0.00 0.00 54.97 54.58 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 0.80 0.64 1.80 0.50 0.02 0.00 0.00 175.26 179.03 2br2 s ARG 91 N -0.71 4.15 0.15 1.61 3.52 -1.26 -4.92 118.95 121.48 2br2 s ARG 91 Ca 0.17 2.55 -0.29 0.00 -0.13 0.00 0.00 55.73 58.03 2br2 s ARG 91 Cb -0.13 -3.59 -0.07 0.00 -1.56 0.00 0.00 34.95 29.60 2br2 s ARG 91 CO 0.06 -0.82 0.91 0.15 -0.81 0.00 0.00 175.30 174.78 2br2 s LYS 92 N 2.70 4.71 0.11 5.12 1.02 -0.91 -5.03 119.74 127.45 2br2 s LYS 92 Ca 0.80 1.38 -0.31 0.00 0.02 0.00 0.00 55.97 57.85 2br2 s LYS 92 Cb -0.45 -3.33 -0.09 0.00 -0.52 0.00 0.00 37.83 33.44 2br2 s LYS 92 CO 0.36 0.36 1.68 1.21 -0.92 0.00 0.00 175.35 178.04 2br2 s ASN 93 N -0.51 6.55 0.59 2.83 3.84 -1.26 -4.31 114.94 122.67 2br2 s ASN 93 Ca 0.43 2.59 0.37 0.00 0.21 0.00 0.00 52.86 56.46 2br2 s ASN 93 Cb -0.24 -2.57 1.83 0.00 -0.55 0.00 0.00 41.25 39.72 2br2 s ASN 93 CO 0.29 -0.91 2.17 1.55 -2.79 0.00 0.00 177.10 177.41 2br2 h PRO 94 N 8.03 0.00 -6.81 0.43 0.13 -1.96 -3.43 132.00 128.39 2br2 h PRO 94 Ca -0.43 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.15 2br2 h PRO 94 Cb 1.21 0.00 0.09 0.00 0.13 0.00 0.00 31.00 32.43 2br2 h PRO 94 CO 0.93 0.03 0.81 0.00 -0.23 0.00 0.00 178.00 179.54 2br2 n ALA 95 N -2.13 2.31 -1.99 -0.56 0.00 -1.26 -4.89 120.51 111.99 2br2 n ALA 95 Ca -0.01 0.37 -0.42 0.00 0.00 0.00 0.00 53.44 53.38 2br2 n ALA 95 Cb 0.19 -2.42 -0.03 0.00 0.00 0.00 0.00 19.45 17.19 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 -1.00 4.33 0.53 0.00 0.02 -1.26 -5.00 135.00 132.62 2br2 s PRO 96 Ca 0.61 2.15 -0.04 0.00 0.02 0.00 0.00 61.00 63.73 2br2 s PRO 96 Cb -0.51 -3.18 -0.01 0.00 0.02 0.00 0.00 34.50 30.83 2br2 s PRO 96 CO 0.53 -0.35 0.81 -1.54 -0.33 0.00 0.00 177.00 176.12 2br2 s SER 97 N 0.53 5.82 0.29 2.53 1.04 -1.26 -4.92 113.70 117.73 2br2 s SER 97 Ca 0.60 0.66 0.01 0.00 0.48 0.00 0.00 55.95 57.69 2br2 s SER 97 Cb -0.38 -1.80 0.54 0.00 0.10 0.00 0.00 66.02 64.47 2br2 s SER 97 CO 0.38 -0.85 1.87 0.03 0.98 0.00 0.00 173.24 175.65 2br2 h ARG 98 N 0.07 1.00 -0.51 4.02 3.08 -1.99 0.52 114.38 120.57 2br2 h ARG 98 Ca -0.46 -0.06 0.05 0.00 0.07 0.00 0.00 59.98 59.58 2br2 h ARG 98 Cb 1.24 -0.22 -0.05 0.00 0.08 0.00 0.00 29.97 31.02 2br2 h ARG 98 CO 0.60 0.66 0.24 -0.09 -1.07 0.00 0.00 179.97 180.31 2br2 h ARG 99 N 1.03 0.46 -0.39 0.04 2.43 -1.99 -0.15 114.38 115.80 2br2 h ARG 99 Ca 0.45 -0.03 -0.09 0.00 -0.81 0.00 0.00 59.98 59.49 2br2 h ARG 99 Cb 0.34 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.77 2br2 h ARG 99 CO -0.20 0.31 -0.14 0.93 -1.51 0.00 0.00 179.97 179.36 2br2 h GLU 100 N 0.48 0.71 -0.22 0.20 5.08 -1.49 -0.73 114.58 118.60 2br2 h GLU 100 Ca 0.23 -0.24 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 2br2 h GLU 100 Cb 0.16 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 2br2 h GLU 100 CO -0.17 0.82 0.05 0.82 -1.00 0.00 0.00 179.01 179.53 2br2 h ILE 101 N 0.64 1.21 -0.02 3.13 2.04 -0.50 -0.83 117.51 123.18 2br2 h ILE 101 Ca 0.11 -0.68 -0.00 0.00 1.00 0.00 0.00 64.86 65.29 2br2 h ILE 101 Cb 0.60 1.24 -0.00 0.00 -0.74 0.00 0.00 36.82 37.92 2br2 h ILE 101 CO 0.04 0.21 0.01 -0.08 0.00 0.00 0.00 178.15 178.34 2br2 h GLU 102 N 0.18 0.03 -0.32 2.37 4.81 -0.87 -2.85 114.58 117.92 2br2 h GLU 102 Ca 0.07 -0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.24 2br2 h GLU 102 Cb 0.28 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.63 2br2 h GLU 102 CO 0.00 0.10 -0.02 -0.07 -0.73 0.00 0.00 179.01 178.29 2br2 h LEU 103 N -0.05 0.47 -0.48 1.64 3.38 -1.12 -0.55 115.31 118.61 2br2 h LEU 103 Ca 0.01 -0.09 0.01 0.00 0.09 0.00 0.00 57.88 57.90 2br2 h LEU 103 Cb 0.08 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 2br2 h LEU 103 CO -0.00 0.55 0.30 0.28 0.09 0.00 0.00 178.44 179.67 2br2 h SER 104 N 0.48 0.51 -0.00 -0.43 0.02 -1.07 0.75 113.55 113.81 2br2 h SER 104 Ca 0.10 -0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 61.05 2br2 h SER 104 Cb 0.34 -0.12 -0.00 0.00 0.14 0.00 0.00 62.40 62.77 2br2 h SER 104 CO 0.01 0.37 0.00 0.50 -1.14 0.00 0.00 176.83 176.57 2br2 h LYS 105 N 0.61 0.00 -0.61 3.45 3.64 -1.14 0.31 116.57 122.83 2br2 h LYS 105 Ca 0.18 -0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.58 2br2 h LYS 105 Cb -0.03 -0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.75 2br2 h LYS 105 CO -0.06 0.11 0.40 0.28 -2.27 0.00 0.00 179.45 177.90 2br2 h VAL 106 N -0.10 1.13 -0.34 2.00 2.07 -0.85 -0.56 116.25 119.60 2br2 h VAL 106 Ca 0.00 -0.27 -0.05 0.00 0.82 0.00 0.00 66.70 67.19 2br2 h VAL 106 Cb 0.10 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 30.12 2br2 h VAL 106 CO -0.00 0.15 0.00 0.40 0.02 0.00 0.00 177.57 178.14 2br2 h ILE 107 N 0.80 1.26 -0.56 4.57 2.04 -0.78 -2.04 117.51 122.79 2br2 h ILE 107 Ca 0.23 -0.96 0.08 0.00 1.00 0.00 0.00 64.86 65.21 2br2 h ILE 107 Cb -0.05 1.21 -0.06 0.00 -0.74 0.00 0.00 36.82 37.18 2br2 h ILE 107 CO -0.07 0.32 0.22 -0.09 0.00 0.00 0.00 178.15 178.53 2br2 h ARG 108 N 0.40 0.41 -0.30 2.37 2.43 -0.30 -1.44 114.38 117.95 2br2 h ARG 108 Ca 0.10 -0.02 -0.08 0.00 -0.81 0.00 0.00 59.98 59.16 2br2 h ARG 108 Cb 0.45 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.89 2br2 h ARG 108 CO 0.02 0.27 -0.16 0.93 -1.51 0.00 0.00 179.97 179.51 2br2 h GLU 109 N 0.42 0.54 -0.48 0.20 5.08 -0.97 0.17 114.58 119.55 2br2 h GLU 109 Ca 0.27 -0.18 -0.01 0.00 -1.00 0.00 0.00 59.36 58.45 2br2 h GLU 109 Cb 0.29 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 2br2 h GLU 109 CO -0.26 0.69 0.26 0.00 -1.00 0.00 0.00 179.01 178.70 2br2 h ALA 110 N 1.33 0.61 -0.24 3.43 0.00 -0.64 -2.68 119.26 121.08 2br2 h ALA 110 Ca 0.08 -0.09 -0.13 0.00 0.00 0.00 0.00 54.91 54.77 2br2 h ALA 110 Cb 0.57 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 2br2 h ALA 110 CO 0.04 0.13 -0.40 -0.07 0.00 0.00 0.00 179.25 178.95 2br2 h LEU 111 N 0.63 0.59 -1.85 0.00 3.38 -0.61 -2.88 115.31 114.57 2br2 h LEU 111 Ca 0.17 -0.26 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 2br2 h LEU 111 Cb 0.05 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.63 2br2 h LEU 111 CO -0.03 0.93 -0.09 -0.33 0.09 0.00 0.00 178.44 179.01 2br2 h GLU 112 N 0.46 0.00 0.00 1.13 5.08 -0.68 0.86 114.58 121.43 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 0.90 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.15 2br2 h GLU 112 CO 0.08 0.09 0.00 0.66 -1.00 0.00 0.00 179.01 178.84 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 -0.35 0.00 -0.47 0.00 0.00 61.79 60.97 2br2 h SER 113 Cb 0.17 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.20 2br2 h SER 113 CO 0.01 0.00 -2.28 0.00 -0.87 0.00 0.00 176.83 173.70 2br2 n ALA 114 N -1.84 1.51 -2.37 5.18 0.00 -0.26 -4.85 120.51 117.88 2br2 n ALA 114 Ca 0.04 -0.94 -0.42 0.00 0.00 0.00 0.00 53.44 52.12 2br2 n ALA 114 Cb 0.37 0.05 -0.03 0.00 0.00 0.00 0.00 19.45 19.84 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 4.13 -1.36 0.00 1.01 0.13 0.17 120.40 122.04 2br2 s VAL 115 Ca -0.31 1.60 -0.16 0.00 0.00 0.00 0.00 61.98 63.12 2br2 s VAL 115 Cb 0.09 -4.03 0.02 0.00 0.00 0.00 0.00 36.38 32.46 2br2 s VAL 115 CO 0.48 0.17 2.12 0.18 0.00 0.00 0.00 175.10 178.05 2br2 n LEU 116 N 3.47 6.23 0.28 3.92 4.77 -0.74 -4.77 117.00 130.17 2br2 n LEU 116 Ca 0.07 -3.96 0.15 0.00 -0.03 0.00 0.00 56.01 52.24 2br2 n LEU 116 Cb 0.47 -1.62 0.84 0.00 -2.33 0.00 0.00 43.42 40.79 2br2 n LEU 116 CO 0.54 0.76 1.05 -0.37 -1.33 0.00 0.00 177.39 178.04 2br2 h VAL 117 N 4.31 0.46 0.00 4.08 -1.51 -1.89 -2.55 116.25 119.15 2br2 h VAL 117 Ca 0.53 -0.31 -0.01 0.00 -1.23 0.00 0.00 66.70 65.68 2br2 h VAL 117 Cb 0.68 1.21 -0.00 0.00 -2.13 0.00 0.00 31.29 31.05 2br2 h VAL 117 CO 1.83 0.06 -0.06 -0.33 -1.23 0.00 0.00 177.57 177.84 2br2 h GLU 118 N 0.00 0.00 0.00 5.19 3.07 -1.86 0.48 114.58 121.46 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 0.20 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.11 2br2 h GLU 118 CO 0.01 0.06 -0.04 -0.07 -1.40 0.00 0.00 179.01 177.56 2br2 h LEU 119 N 0.00 0.00 -6.09 1.33 4.07 -1.73 -3.37 115.31 109.52 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 0.17 0.00 -0.41 0.00 1.08 0.00 0.00 40.66 41.50 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 -3.22 1.94 -1.63 1.13 3.01 -0.78 -5.04 117.46 112.87 2br2 n PHE 120 Ca -0.01 -3.90 -0.35 0.00 1.01 0.00 0.00 57.45 54.20 2br2 n PHE 120 Cb 0.23 -0.47 0.07 0.00 -0.01 0.00 0.00 39.48 39.31 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 -1.96 2.42 -0.77 -1.08 0.02 -1.26 -2.30 135.00 130.06 2br2 s PRO 121 Ca 0.38 1.83 0.00 0.00 0.02 0.00 0.00 61.00 63.23 2br2 s PRO 121 Cb 0.16 -1.86 0.00 0.00 0.02 0.00 0.00 34.50 32.82 2br2 s PRO 121 CO -0.06 -1.64 0.00 0.54 -0.33 0.00 0.00 177.00 175.52 2br2 n ARG 122 N -2.31 -1.37 -4.41 5.54 5.12 -0.32 -4.86 116.66 114.06 2br2 n ARG 122 Ca 0.14 0.70 -0.25 0.00 -1.93 0.00 0.00 57.85 56.50 2br2 n ARG 122 Cb 0.50 -4.87 -0.09 0.00 -1.16 0.00 0.00 32.46 26.83 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 -1.84 2.46 0.02 0.55 -4.23 -1.18 -3.23 115.64 108.19 2br2 s THR 123 Ca 0.00 -2.04 0.09 0.00 -1.18 0.00 0.00 61.69 58.55 2br2 s THR 123 Cb 0.00 -2.76 -0.03 0.00 1.34 0.00 0.00 72.50 71.05 2br2 s THR 123 CO 0.00 -0.18 -0.25 0.00 -0.54 0.00 0.00 174.62 173.64 2br2 s ALA 124 N -2.56 2.27 -0.23 3.99 0.00 0.61 -0.98 121.76 124.86 2br2 s ALA 124 Ca 0.34 -1.21 -0.02 0.00 0.00 0.00 0.00 51.96 51.07 2br2 s ALA 124 Cb 0.01 -0.53 0.01 0.00 0.00 0.00 0.00 23.12 22.61 2br2 s ALA 124 CO 0.18 0.54 -0.08 0.42 0.00 0.00 0.00 175.76 176.82 2br2 s ILE 125 N -0.76 2.91 -0.22 0.00 1.01 -0.08 -2.21 121.20 121.85 2br2 s ILE 125 Ca 0.11 -0.84 -0.13 0.00 0.00 0.00 0.00 60.65 59.80 2br2 s ILE 125 Cb -0.10 -2.39 -0.05 0.00 0.01 0.00 0.00 42.46 39.93 2br2 s ILE 125 CO 0.01 0.32 0.26 -1.81 0.00 0.00 0.00 174.94 173.73 2br2 s ASP 126 N 1.37 6.27 -0.25 3.58 1.01 -1.08 -1.36 116.67 126.20 2br2 s ASP 126 Ca 0.03 0.30 0.03 0.00 0.71 0.00 0.00 52.55 53.61 2br2 s ASP 126 Cb -0.15 -2.16 0.06 0.00 1.01 0.00 0.00 42.92 41.67 2br2 s ASP 126 CO -0.05 0.02 -0.12 -0.69 0.21 0.00 0.00 175.17 174.54 2br2 s VAL 127 N 1.09 2.12 -0.16 -1.27 1.01 0.60 -1.03 120.40 122.75 2br2 s VAL 127 Ca 0.13 -1.54 -0.04 0.00 0.00 0.00 0.00 61.98 60.52 2br2 s VAL 127 Cb -0.14 -2.21 -0.03 0.00 0.00 0.00 0.00 36.38 34.01 2br2 s VAL 127 CO 0.05 0.03 -0.02 -0.36 0.00 0.00 0.00 175.10 174.80 2br2 s PHE 128 N 1.14 3.06 -0.06 5.22 0.40 0.27 -1.65 117.98 126.35 2br2 s PHE 128 Ca -0.07 -0.25 0.04 0.00 -0.60 0.00 0.00 56.93 56.05 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 -0.06 -0.01 -0.18 0.99 0.70 0.00 0.00 175.22 176.66 2br2 s THR 129 N 0.37 1.53 -0.09 0.64 2.01 -0.25 -0.46 115.64 119.39 2br2 s THR 129 Ca -0.03 -0.74 0.01 0.00 0.31 0.00 0.00 61.69 61.24 2br2 s THR 129 Cb -0.14 -1.34 0.02 0.00 0.01 0.00 0.00 72.50 71.05 2br2 s THR 129 CO 0.03 0.44 -0.11 -1.61 -0.69 0.00 0.00 174.62 172.68 2br2 s GLU 130 N 0.29 1.71 -0.32 4.92 0.41 0.23 -2.41 118.70 123.52 2br2 s GLU 130 Ca -0.11 -0.37 -0.25 0.00 -0.41 0.00 0.00 54.97 53.83 2br2 s GLU 130 Cb -0.15 -1.55 0.01 0.00 -1.78 0.00 0.00 34.13 30.66 2br2 s GLU 130 CO 0.04 -0.10 0.86 0.42 -0.49 0.00 0.00 175.26 175.99 2br2 s ILE 131 N 1.12 4.70 -0.07 -1.63 1.09 0.74 -0.82 121.20 126.34 2br2 s ILE 131 Ca -0.06 1.25 0.03 0.00 -1.10 0.00 0.00 60.65 60.77 2br2 s ILE 131 Cb -0.14 -4.23 -0.25 0.00 -1.06 0.00 0.00 42.46 36.78 2br2 s ILE 131 CO -0.02 -0.36 0.56 -0.07 -0.10 0.00 0.00 174.94 174.96 2br2 h LEU 132 N 9.70 0.21 -7.62 2.97 3.38 -0.70 -1.60 115.31 121.65 2br2 h LEU 132 Ca -0.23 -0.46 -0.22 0.00 0.09 0.00 0.00 57.88 57.05 2br2 h LEU 132 Cb 1.09 -0.07 -0.28 0.00 0.09 0.00 0.00 40.66 41.48 2br2 h LEU 132 CO 0.93 1.41 -0.64 -1.10 0.09 0.00 0.00 178.44 179.12 2br2 s GLN 133 N -2.58 0.07 -0.18 1.13 -0.21 -1.12 -4.07 119.66 112.69 2br2 s GLN 133 Ca -0.12 0.14 -0.04 0.00 0.02 0.00 0.00 55.36 55.35 2br2 s GLN 133 Cb 0.07 -0.01 -0.02 0.00 1.00 0.00 0.00 33.01 34.05 2br2 s GLN 133 CO 0.80 -0.04 -0.04 0.00 -2.12 0.00 0.00 175.29 173.90 2br2 s ALA 134 N 0.26 2.92 -0.31 6.09 0.00 0.64 -0.73 121.76 130.63 2br2 s ALA 134 Ca -0.02 -0.97 0.18 0.00 0.00 0.00 0.00 51.96 51.16 2br2 s ALA 134 Cb -0.03 -1.62 0.46 0.00 0.00 0.00 0.00 23.12 21.93 2br2 s ALA 134 CO -0.01 -0.06 1.03 -3.47 0.00 0.00 0.00 175.76 173.25 2br2 n ASP 135 N 4.07 1.15 -0.79 0.00 2.03 -1.26 -4.79 116.55 116.96 2br2 n ASP 135 Ca -0.18 -2.54 0.00 0.00 0.52 0.00 0.00 54.79 52.59 2br2 n ASP 135 Cb 0.52 -0.37 0.00 0.00 -0.72 0.00 0.00 41.12 40.54 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 -0.24 -1.37 -0.80 -1.67 0.00 -1.26 -3.39 120.51 111.78 2br2 n ALA 136 Ca 0.07 0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.75 2br2 n ALA 136 Cb 0.82 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 19.30 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 -1.71 0.59 0.28 0.00 0.00 -1.26 -4.76 105.19 98.32 2br2 n GLY 137 Ca 0.00 -0.11 0.02 0.00 0.00 0.00 0.00 46.02 45.93 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 0.53 -0.70 1.61 0.02 -1.95 -1.01 113.55 112.05 2br2 h SER 138 Ca 0.00 0.06 0.03 0.00 -0.84 0.00 0.00 61.79 61.03 2br2 h SER 138 Cb 0.00 -0.04 -0.04 0.00 0.14 0.00 0.00 62.40 62.47 2br2 h SER 138 CO 0.00 0.30 0.46 0.08 -1.14 0.00 0.00 176.83 176.53 2br2 h ARG 139 N 0.66 0.85 0.03 3.45 0.11 -1.99 0.18 114.38 117.67 2br2 h ARG 139 Ca 0.37 -0.05 -0.24 0.00 0.10 0.00 0.00 59.98 60.16 2br2 h ARG 139 Cb 0.39 -0.19 0.02 0.00 1.11 0.00 0.00 29.97 31.30 2br2 h ARG 139 CO -0.27 0.56 -0.96 -0.07 0.10 0.00 0.00 179.97 179.33 2br2 h LEU 140 N 0.87 0.79 -0.53 0.08 3.38 -1.63 -1.30 115.31 116.98 2br2 h LEU 140 Ca 0.27 -0.77 -0.01 0.00 0.09 0.00 0.00 57.88 57.46 2br2 h LEU 140 Cb 0.01 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 2br2 h LEU 140 CO -0.07 1.46 0.28 0.58 0.09 0.00 0.00 178.44 180.78 2br2 h VAL 141 N 0.21 1.18 -0.35 1.22 2.07 -0.85 0.14 116.25 119.88 2br2 h VAL 141 Ca -0.13 -0.48 0.02 0.00 0.82 0.00 0.00 66.70 66.93 2br2 h VAL 141 Cb 1.64 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 31.92 2br2 h VAL 141 CO 0.19 0.20 0.20 -1.28 0.02 0.00 0.00 177.57 176.90 2br2 h SER 142 N 0.70 0.32 -0.53 0.57 0.87 -0.69 0.09 113.55 114.87 2br2 h SER 142 Ca 0.18 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.75 2br2 h SER 142 Cb 0.06 -0.06 -0.03 0.00 -0.44 0.00 0.00 62.40 61.93 2br2 h SER 142 CO -0.03 0.24 0.33 0.25 -0.53 0.00 0.00 176.83 177.08 2br2 h LEU 143 N 0.41 0.64 -0.45 2.23 5.85 -0.77 -0.38 115.31 122.84 2br2 h LEU 143 Ca 0.14 -0.05 -0.10 0.00 0.84 0.00 0.00 57.88 58.71 2br2 h LEU 143 Cb 0.01 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 40.86 2br2 h LEU 143 CO -0.07 0.50 -0.09 0.24 -0.34 0.00 0.00 178.44 178.68 2br2 h MET 144 N 0.72 0.86 -0.84 1.25 2.86 -0.57 0.09 114.93 119.30 2br2 h MET 144 Ca 0.19 -0.32 0.04 0.00 -2.06 0.00 0.00 59.70 57.55 2br2 h MET 144 Cb -0.02 -0.05 -0.05 0.00 0.06 0.00 0.00 31.60 31.53 2br2 h MET 144 CO -0.04 0.96 0.54 0.00 1.06 0.00 0.00 176.91 179.43 2br2 h ALA 145 N 0.88 1.12 0.10 6.32 0.00 -0.78 -0.56 119.26 126.33 2br2 h ALA 145 Ca 0.12 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 2br2 h ALA 145 Cb 0.63 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.14 2br2 h ALA 145 CO 0.04 0.35 -0.05 0.00 0.00 0.00 0.00 179.25 179.59 2br2 h ALA 146 N 1.36 -0.14 -0.65 0.00 0.00 -0.72 0.34 119.26 119.45 2br2 h ALA 146 Ca 0.34 -0.05 0.12 0.00 0.00 0.00 0.00 54.91 55.32 2br2 h ALA 146 Cb 0.04 0.05 -0.09 0.00 0.00 0.00 0.00 17.79 17.80 2br2 h ALA 146 CO -0.13 -0.55 0.21 1.03 0.00 0.00 0.00 179.25 179.81 2br2 h SER 147 N -0.19 0.14 0.19 0.00 0.87 -0.38 -0.55 113.55 113.64 2br2 h SER 147 Ca -0.01 0.10 -0.16 0.00 -1.23 0.00 0.00 61.79 60.49 2br2 h SER 147 Cb 0.15 0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 62.21 2br2 h SER 147 CO 0.02 0.07 -0.60 -0.07 -0.53 0.00 0.00 176.83 175.72 2br2 h LEU 148 N 0.35 0.46 -0.82 2.23 3.38 -0.90 -2.06 115.31 117.95 2br2 h LEU 148 Ca 0.34 -0.26 -0.09 0.00 0.09 0.00 0.00 57.88 57.96 2br2 h LEU 148 Cb 0.50 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 2br2 h LEU 148 CO -0.38 0.95 -0.13 0.00 0.09 0.00 0.00 178.44 178.97 2br2 h ALA 149 N 1.05 1.00 -0.49 1.53 0.00 -0.18 0.28 119.26 122.46 2br2 h ALA 149 Ca -0.00 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.56 2br2 h ALA 149 Cb 1.13 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 2br2 h ALA 149 CO 0.10 0.60 0.23 -0.07 0.00 0.00 0.00 179.25 180.11 2br2 h LEU 150 N 0.67 0.64 -0.65 0.00 3.38 -0.97 0.30 115.31 118.68 2br2 h LEU 150 Ca 0.11 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 2br2 h LEU 150 Cb 0.60 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.16 2br2 h LEU 150 CO 0.04 0.60 0.35 0.00 0.09 0.00 0.00 178.44 179.52 2br2 h ALA 151 N 1.07 0.84 -0.31 1.53 0.00 -0.93 -1.80 119.26 119.66 2br2 h ALA 151 Ca 0.17 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2br2 h ALA 151 Cb 0.13 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 2br2 h ALA 151 CO -0.02 0.36 0.14 0.22 0.00 0.00 0.00 179.25 179.95 2br2 h ASP 152 N 0.89 0.38 0.83 0.00 3.58 -0.11 -0.56 116.42 121.44 2br2 h ASP 152 Ca 0.23 -0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.65 2br2 h ASP 152 Cb 0.06 -0.10 0.00 0.00 1.72 0.00 0.00 39.33 41.01 2br2 h ASP 152 CO -0.04 0.33 0.00 0.00 -2.88 0.00 0.00 179.24 176.66 2br2 n ALA 153 N -2.49 2.20 -1.38 -0.78 0.00 0.06 -4.69 120.51 113.44 2br2 n ALA 153 Ca 0.01 -0.09 -0.05 0.00 0.00 0.00 0.00 53.44 53.31 2br2 n ALA 153 Cb 0.12 -1.42 -0.02 0.00 0.00 0.00 0.00 19.45 18.13 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 1.14 0.62 3.66 0.00 0.00 -0.22 -4.89 105.19 105.51 2br2 n GLY 154 Ca 0.07 -0.80 -0.42 0.00 0.00 0.00 0.00 46.02 44.87 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 -2.20 4.79 0.18 -0.61 1.01 -0.74 -4.99 121.20 118.65 2br2 s ILE 155 Ca 0.00 1.81 -0.32 0.00 0.00 0.00 0.00 60.65 62.15 2br2 s ILE 155 Cb 0.00 -4.22 -0.11 0.00 0.01 0.00 0.00 42.46 38.15 2br2 s ILE 155 CO 0.00 -0.06 1.60 -2.84 0.00 0.00 0.00 174.94 173.65 2br2 s PRO 156 N 2.57 4.19 0.19 2.79 0.02 -1.26 -4.51 135.00 138.99 2br2 s PRO 156 Ca 0.41 2.43 0.03 0.00 0.02 0.00 0.00 61.00 63.89 2br2 s PRO 156 Cb -0.16 -3.13 -0.05 0.00 0.02 0.00 0.00 34.50 31.18 2br2 s PRO 156 CO 0.10 -0.64 -0.01 -1.64 -0.33 0.00 0.00 177.00 174.49 2br2 s MET 157 N 1.02 1.19 0.22 5.54 -1.94 -1.26 -1.79 119.30 122.29 2br2 s MET 157 Ca 0.71 -1.58 -0.05 0.00 -1.71 0.00 0.00 55.69 53.06 2br2 s MET 157 Cb -0.45 -0.42 0.20 0.00 2.01 0.00 0.00 34.83 36.17 2br2 s MET 157 CO 0.33 -0.11 1.67 0.00 -0.01 0.00 0.00 175.02 176.90 2br2 h ARG 158 N 2.62 0.85 -1.93 2.03 3.08 -0.61 -3.47 114.38 116.95 2br2 h ARG 158 Ca -0.37 -0.29 0.24 0.00 0.07 0.00 0.00 59.98 59.63 2br2 h ARG 158 Cb 1.21 -0.07 -0.10 0.00 0.08 0.00 0.00 29.97 31.09 2br2 h ARG 158 CO 0.63 0.92 0.64 0.34 -1.07 0.00 0.00 179.97 181.43 2br2 s ASP 159 N -6.68 -0.13 0.77 7.04 2.15 -1.26 -5.02 116.67 113.55 2br2 s ASP 159 Ca -0.10 -0.27 -0.11 0.00 0.43 0.00 0.00 52.55 52.49 2br2 s ASP 159 Cb 0.14 0.34 0.05 0.00 -0.30 0.00 0.00 42.92 43.15 2br2 s ASP 159 CO 0.83 -0.62 1.09 -0.76 -0.17 0.00 0.00 175.17 175.54 2br2 s LEU 160 N -2.94 2.75 -0.15 -1.34 1.43 -1.26 -4.93 118.68 112.23 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 0.01 -4.10 -0.01 0.00 0.03 0.00 0.00 46.19 42.12 2br2 s LEU 160 CO -0.01 -1.85 -0.11 -0.63 0.23 0.00 0.00 176.35 173.98 2br2 s ILE 161 N -3.11 3.12 0.04 -0.59 1.01 -1.26 -4.16 121.20 116.25 2br2 s ILE 161 Ca 0.60 -0.62 0.09 0.00 0.00 0.00 0.00 60.65 60.71 2br2 s ILE 161 Cb -0.14 -2.34 -0.03 0.00 0.01 0.00 0.00 42.46 39.96 2br2 s ILE 161 CO 0.55 0.50 -0.25 0.00 0.00 0.00 0.00 174.94 175.74 2br2 s ALA 162 N 0.60 2.11 0.02 9.38 0.00 -0.54 -4.62 121.76 128.71 2br2 s ALA 162 Ca -0.07 -1.19 -0.13 0.00 0.00 0.00 0.00 51.96 50.58 2br2 s ALA 162 Cb -0.15 -0.45 0.02 0.00 0.00 0.00 0.00 23.12 22.53 2br2 s ALA 162 CO 0.03 0.50 0.27 0.20 0.00 0.00 0.00 175.76 176.75 2br2 s GLY 163 N -1.15 -0.08 -0.00 0.00 0.00 -1.26 -0.77 107.32 104.06 2br2 s GLY 163 Ca 0.10 0.02 -0.08 0.00 0.00 0.00 0.00 44.72 44.77 2br2 s GLY 163 CO 0.02 -0.18 0.15 -1.34 0.00 0.00 0.00 173.10 171.75 2br2 s VAL 164 N -2.11 0.07 -0.08 1.40 -7.23 -0.38 -4.90 120.40 107.18 2br2 s VAL 164 Ca -0.08 -0.62 -0.24 0.00 -1.81 0.00 0.00 61.98 59.23 2br2 s VAL 164 Cb -0.03 -0.43 -0.03 0.00 0.56 0.00 0.00 36.38 36.45 2br2 s VAL 164 CO -0.01 -0.34 0.73 0.00 -0.31 0.00 0.00 175.10 175.17 2br2 s ALA 165 N -1.26 3.35 0.30 1.32 0.00 -1.26 -1.19 121.76 123.03 2br2 s ALA 165 Ca -0.13 0.13 0.09 0.00 0.00 0.00 0.00 51.96 52.05 2br2 s ALA 165 Cb -0.07 -3.01 -0.04 0.00 0.00 0.00 0.00 23.12 19.99 2br2 s ALA 165 CO 0.02 -0.19 0.04 0.54 0.00 0.00 0.00 175.76 176.17 2br2 s VAL 166 N 1.01 3.15 0.04 0.00 0.11 -0.53 0.31 120.40 124.49 2br2 s VAL 166 Ca 0.38 -1.86 -0.07 0.00 -2.93 0.00 0.00 61.98 57.50 2br2 s VAL 166 Cb -0.18 -2.87 0.02 0.00 -1.53 0.00 0.00 36.38 31.82 2br2 s VAL 166 CO 0.18 -0.28 0.34 0.61 -3.33 0.00 0.00 175.10 172.61 2br2 n GLY 167 N -0.98 0.94 2.90 6.54 0.00 -0.34 0.03 105.19 114.28 2br2 n GLY 167 Ca -0.05 -0.97 -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 -2.01 1.37 0.00 1.61 2.20 -1.05 -0.65 119.74 121.21 2br2 s LYS 168 Ca 0.08 -0.21 0.00 0.00 -0.36 0.00 0.00 55.97 55.47 2br2 s LYS 168 Cb -0.01 -1.42 0.00 0.00 -1.51 0.00 0.00 37.83 34.89 2br2 s LYS 168 CO 0.01 -0.22 0.00 0.00 -0.36 0.00 0.00 175.35 174.79 2br2 n ALA 169 N 4.74 0.00 -2.85 3.13 0.00 0.30 -0.43 120.51 125.40 2br2 n ALA 169 Ca -0.14 -0.02 -0.27 0.00 0.00 0.00 0.00 53.44 53.01 2br2 n ALA 169 Cb 0.50 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 -1.49 4.61 0.00 0.00 8.00 -1.26 -4.25 116.55 122.16 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 -0.56 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 -0.29 2.20 3.73 0.44 0.00 -1.26 -5.02 105.19 104.99 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 -3.15 5.29 -0.10 1.61 1.01 -1.26 -5.07 120.40 118.72 2br2 s VAL 172 Ca 0.00 0.14 -0.30 0.00 0.00 0.00 0.00 61.98 61.83 2br2 s VAL 172 Cb 0.00 -3.39 -0.02 0.00 0.00 0.00 0.00 36.38 32.97 2br2 s VAL 172 CO 0.00 0.47 1.09 -0.63 0.00 0.00 0.00 175.10 176.03 2br2 s ILE 173 N 0.18 4.56 0.16 2.22 1.01 -1.26 -0.54 121.20 127.53 2br2 s ILE 173 Ca 0.08 1.85 0.06 0.00 0.00 0.00 0.00 60.65 62.64 2br2 s ILE 173 Cb -0.11 -4.19 -0.04 0.00 0.01 0.00 0.00 42.46 38.12 2br2 s ILE 173 CO -0.01 -0.02 -0.14 0.27 0.00 0.00 0.00 174.94 175.05 2br2 s ILE 174 N 2.23 1.49 -0.14 2.92 -4.36 0.18 -4.80 121.20 118.72 2br2 s ILE 174 Ca 0.51 -2.01 -0.01 0.00 -0.26 0.00 0.00 60.65 58.88 2br2 s ILE 174 Cb -0.21 -1.84 -0.02 0.00 1.25 0.00 0.00 42.46 41.65 2br2 s ILE 174 CO 0.18 -0.56 -0.11 -0.22 0.24 0.00 0.00 174.94 174.47 2br2 s LEU 175 N -2.99 2.83 -0.26 0.37 2.96 0.22 -1.20 118.68 120.61 2br2 s LEU 175 Ca 0.17 -0.29 -0.04 0.00 -0.22 0.00 0.00 54.13 53.75 2br2 s LEU 175 Cb -0.01 -1.65 0.01 0.00 0.50 0.00 0.00 46.19 45.03 2br2 s LEU 175 CO 0.04 0.16 0.15 -0.67 -1.32 0.00 0.00 176.35 174.71 2br2 n ASP 176 N 3.57 -6.52 -4.77 3.68 2.03 0.15 -4.66 116.55 110.03 2br2 n ASP 176 Ca -0.18 0.85 -0.39 0.00 0.52 0.00 0.00 54.79 55.60 2br2 n ASP 176 Cb 0.53 -4.28 -0.05 0.00 -0.72 0.00 0.00 41.12 36.59 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 -1.56 4.43 1.11 -2.67 1.43 -1.24 -4.77 118.68 115.40 2br2 s LEU 177 Ca 0.06 2.04 -0.12 0.00 -1.03 0.00 0.00 54.13 55.08 2br2 s LEU 177 Cb -0.02 -3.85 0.26 0.00 0.03 0.00 0.00 46.19 42.61 2br2 s LEU 177 CO 0.59 -0.14 1.05 0.20 0.23 0.00 0.00 176.35 178.28 2br2 s ASN 178 N -1.29 1.36 0.21 2.29 0.02 -1.26 -4.61 114.94 111.66 2br2 s ASN 178 Ca 0.48 1.65 -0.09 0.00 -1.02 0.00 0.00 52.86 53.88 2br2 s ASN 178 Cb -0.25 -2.35 0.15 0.00 0.02 0.00 0.00 41.25 38.82 2br2 s ASN 178 CO 0.32 -3.99 1.80 -0.08 0.02 0.00 0.00 177.10 175.17 2br2 h GLU 179 N -2.48 1.13 -0.44 -0.60 4.81 -1.90 -0.61 114.58 114.49 2br2 h GLU 179 Ca -0.58 -0.17 0.03 0.00 -0.13 0.00 0.00 59.36 58.50 2br2 h GLU 179 Cb 1.32 -0.20 -0.03 0.00 0.63 0.00 0.00 28.75 30.47 2br2 h GLU 179 CO 0.49 0.88 0.25 1.15 -0.73 0.00 0.00 179.01 181.05 2br2 h THR 180 N 1.10 1.02 -0.30 0.32 2.02 -1.93 -0.02 112.91 115.12 2br2 h THR 180 Ca 0.27 -0.17 -0.14 0.00 0.77 0.00 0.00 66.41 67.13 2br2 h THR 180 Cb 0.13 0.48 -0.01 0.00 -1.74 0.00 0.00 68.15 67.01 2br2 h THR 180 CO -0.03 0.09 -0.39 -0.33 0.37 0.00 0.00 175.52 175.23 2br2 h GLU 181 N 0.50 0.71 -0.27 6.66 5.08 -1.90 -1.43 114.58 123.93 2br2 h GLU 181 Ca 0.18 -0.36 0.02 0.00 -1.00 0.00 0.00 59.36 58.20 2br2 h GLU 181 Cb 0.04 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.27 2br2 h GLU 181 CO -0.10 0.97 0.11 0.22 -1.00 0.00 0.00 179.01 179.21 2br2 h ASP 182 N 0.58 0.14 -0.23 1.42 1.82 -0.84 0.91 116.42 120.23 2br2 h ASP 182 Ca 0.05 0.02 -0.14 0.00 -0.39 0.00 0.00 57.03 56.57 2br2 h ASP 182 Cb 0.92 -0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.92 2br2 h ASP 182 CO 0.08 0.12 -0.35 -0.03 -1.61 0.00 0.00 179.24 177.45 2br2 h MET 183 N 0.24 0.76 0.00 0.28 4.05 -0.80 -3.35 114.93 116.11 2br2 h MET 183 Ca 0.11 -0.37 0.00 0.00 -0.28 0.00 0.00 59.70 59.16 2br2 h MET 183 Cb 0.06 -0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.86 2br2 h MET 183 CO -0.10 0.99 -0.24 0.91 0.23 0.00 0.00 176.91 178.69 2br2 n TRP 184 N -4.06 0.00 -1.18 1.39 7.02 -0.56 -5.05 117.44 115.01 2br2 n TRP 184 Ca -0.01 0.00 -0.29 0.00 -1.02 0.00 0.00 57.50 56.18 2br2 n TRP 184 Cb 0.51 -0.01 0.19 0.00 -2.42 0.00 0.00 31.31 29.58 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 -1.43 1.56 0.22 6.99 0.00 0.31 -4.99 107.32 109.99 2br2 s GLY 185 Ca 0.01 -0.47 0.17 0.00 0.00 0.00 0.00 44.72 44.43 2br2 s GLY 185 CO 0.16 0.18 1.24 0.83 0.00 0.00 0.00 173.10 175.51 2br2 h GLU 186 N -1.99 0.00 -2.66 2.90 3.07 -0.92 -3.48 114.58 111.50 2br2 h GLU 186 Ca -0.54 0.00 -0.10 0.00 -0.50 0.00 0.00 59.36 58.23 2br2 h GLU 186 Cb 1.33 0.00 -0.20 0.00 -0.84 0.00 0.00 28.75 29.04 2br2 h GLU 186 CO 0.55 0.37 -0.11 0.00 -1.40 0.00 0.00 179.01 178.42 2br2 s ALA 187 N -2.99 -1.14 -0.07 3.43 0.00 -1.20 -0.96 121.76 118.82 2br2 s ALA 187 Ca 0.02 0.72 -0.03 0.00 0.00 0.00 0.00 51.96 52.67 2br2 s ALA 187 Cb 0.08 0.00 0.04 0.00 0.00 0.00 0.00 23.12 23.24 2br2 s ALA 187 CO 0.76 -0.30 0.10 0.34 0.00 0.00 0.00 175.76 176.67 2br2 s ASP 188 N -1.19 1.13 -0.47 0.00 2.15 0.34 -2.52 116.67 116.11 2br2 s ASP 188 Ca -0.12 0.09 0.03 0.00 0.43 0.00 0.00 52.55 52.98 2br2 s ASP 188 Cb -0.03 0.01 0.15 0.00 -0.30 0.00 0.00 42.92 42.74 2br2 s ASP 188 CO 0.06 -0.26 0.31 -0.32 -0.17 0.00 0.00 175.17 174.79 2br2 s MET 189 N 2.21 1.34 0.17 4.34 -2.45 0.11 -0.97 119.30 124.05 2br2 s MET 189 Ca 0.04 -2.21 -0.31 0.00 -1.25 0.00 0.00 55.69 51.96 2br2 s MET 189 Cb -0.13 -2.21 -0.10 0.00 1.25 0.00 0.00 34.83 33.65 2br2 s MET 189 CO -0.05 -1.24 1.49 -1.25 1.05 0.00 0.00 175.02 175.02 2br2 s PRO 190 N 0.03 4.25 -0.03 4.11 0.04 -1.06 -1.45 135.00 140.89 2br2 s PRO 190 Ca 0.23 2.27 0.01 0.00 0.04 0.00 0.00 61.00 63.55 2br2 s PRO 190 Cb -0.14 -3.17 0.01 0.00 0.04 0.00 0.00 34.50 31.25 2br2 s PRO 190 CO -0.07 -0.52 -0.05 0.42 0.04 0.00 0.00 177.00 176.82 2br2 s ILE 191 N 0.88 0.49 -0.00 0.56 1.01 -0.33 -1.76 121.20 122.04 2br2 s ILE 191 Ca 0.66 -0.15 0.03 0.00 0.00 0.00 0.00 60.65 61.19 2br2 s ILE 191 Cb -0.42 -0.48 -0.01 0.00 0.01 0.00 0.00 42.46 41.56 2br2 s ILE 191 CO 0.34 0.19 -0.11 0.00 0.00 0.00 0.00 174.94 175.36 2br2 s ALA 192 N 0.56 0.88 0.14 9.38 0.00 -0.12 -1.25 121.76 131.35 2br2 s ALA 192 Ca -0.07 -0.48 0.02 0.00 0.00 0.00 0.00 51.96 51.43 2br2 s ALA 192 Cb -0.10 -0.21 -0.04 0.00 0.00 0.00 0.00 23.12 22.76 2br2 s ALA 192 CO -0.00 0.21 -0.03 -1.64 0.00 0.00 0.00 175.76 174.30 2br2 s MET 193 N -0.33 1.01 -0.79 0.00 1.00 0.05 -0.32 119.30 119.91 2br2 s MET 193 Ca 0.04 -1.46 -0.18 0.00 0.00 0.00 0.00 55.69 54.09 2br2 s MET 193 Cb -0.04 -0.27 0.15 0.00 0.00 0.00 0.00 34.83 34.66 2br2 s MET 193 CO -0.00 -0.08 0.90 -1.64 0.00 0.00 0.00 175.02 174.20 2br2 s MET 194 N -3.87 3.42 0.26 2.03 -1.94 0.13 -1.47 119.30 117.86 2br2 s MET 194 Ca 0.19 -1.80 -0.03 0.00 -1.71 0.00 0.00 55.69 52.34 2br2 s MET 194 Cb 0.05 -4.57 0.41 0.00 2.01 0.00 0.00 34.83 32.74 2br2 s MET 194 CO 0.01 -1.57 1.86 -1.35 -0.01 0.00 0.00 175.02 173.96 2br2 h PRO 195 N 8.66 1.03 0.00 2.03 0.11 -1.83 -1.48 132.00 140.52 2br2 h PRO 195 Ca -0.00 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 66.03 2br2 h PRO 195 Cb 1.05 -0.23 -0.00 0.00 0.11 0.00 0.00 31.00 31.92 2br2 h PRO 195 CO 1.01 0.68 -0.07 0.77 -0.21 0.00 0.00 178.00 180.18 2br2 h SER 196 N 1.06 0.00 -0.01 -2.05 0.02 -1.93 -2.52 113.55 108.12 2br2 h SER 196 Ca 0.43 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.38 2br2 h SER 196 Cb 0.24 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.78 2br2 h SER 196 CO -0.19 0.07 -0.65 0.18 -1.14 0.00 0.00 176.83 175.10 2br2 n LEU 197 N -3.66 1.51 -3.78 5.07 4.77 -0.60 -4.98 117.00 115.33 2br2 n LEU 197 Ca -0.02 -0.65 -0.29 0.00 -0.03 0.00 0.00 56.01 55.02 2br2 n LEU 197 Cb 0.18 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.29 2br2 n LEU 197 CO 0.28 0.31 0.09 0.59 -1.33 0.00 0.00 177.39 177.33 2br2 n ASN 198 N -0.64 -4.86 -4.41 -1.43 5.03 -0.91 -4.98 115.26 103.06 2br2 n ASN 198 Ca 0.07 -0.69 -0.35 0.00 0.87 0.00 0.00 54.58 54.48 2br2 n ASN 198 Cb 0.38 -3.89 -0.13 0.00 -1.02 0.00 0.00 39.78 35.12 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 -6.49 3.55 -0.20 3.52 -1.52 -1.13 -5.00 119.66 112.39 2br2 s GLN 199 Ca 0.61 -0.56 -0.24 0.00 -1.95 0.00 0.00 55.36 53.22 2br2 s GLN 199 Cb -0.31 -3.01 -0.01 0.00 -0.22 0.00 0.00 33.01 29.46 2br2 s GLN 199 CO 0.76 0.00 0.81 0.08 -0.25 0.00 0.00 175.29 176.69 2br2 s VAL 200 N 1.00 4.88 -0.13 1.09 1.01 -1.26 -0.69 120.40 126.29 2br2 s VAL 200 Ca 0.01 1.56 -0.09 0.00 0.00 0.00 0.00 61.98 63.46 2br2 s VAL 200 Cb -0.14 -4.11 -0.25 0.00 0.00 0.00 0.00 36.38 31.87 2br2 s VAL 200 CO 0.01 -0.01 0.35 0.41 0.00 0.00 0.00 175.10 175.87 2br2 n THR 201 N 4.96 1.76 -4.04 3.92 -1.04 0.57 -4.94 114.28 115.46 2br2 n THR 201 Ca 0.04 -0.57 -0.16 0.00 -2.04 0.00 0.00 64.05 61.32 2br2 n THR 201 Cb 0.48 -1.78 -0.15 0.00 -1.82 0.00 0.00 70.33 67.06 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 -7.17 1.68 -0.24 -4.42 0.20 -0.90 -4.26 118.68 103.57 2br2 s LEU 202 Ca -0.23 -0.06 -0.03 0.00 0.69 0.00 0.00 54.13 54.49 2br2 s LEU 202 Cb 0.06 -0.23 0.13 0.00 -0.43 0.00 0.00 46.19 45.72 2br2 s LEU 202 CO 0.75 -0.01 0.39 0.12 -0.29 0.00 0.00 176.35 177.31 2br2 s PHE 203 N 0.35 -0.85 0.02 5.38 5.36 -1.26 -0.94 117.98 126.04 2br2 s PHE 203 Ca -0.04 1.00 0.00 0.00 -0.96 0.00 0.00 56.93 56.94 2br2 s PHE 203 Cb -0.07 0.10 -0.01 0.00 -0.34 0.00 0.00 43.02 42.70 2br2 s PHE 203 CO -0.01 -0.68 -0.03 -0.65 -1.46 0.00 0.00 175.22 172.40 2br2 s GLN 204 N 2.57 0.25 -0.06 10.12 -0.21 -0.72 -5.05 119.66 126.56 2br2 s GLN 204 Ca 0.10 -0.44 0.00 0.00 0.02 0.00 0.00 55.36 55.05 2br2 s GLN 204 Cb -0.15 0.01 0.02 0.00 1.00 0.00 0.00 33.01 33.90 2br2 s GLN 204 CO -0.15 -0.02 -0.05 -1.17 -2.12 0.00 0.00 175.29 171.78 2br2 s LEU 205 N -1.01 1.17 0.09 2.90 2.96 -1.26 -2.58 118.68 120.95 2br2 s LEU 205 Ca -0.10 -0.16 0.09 0.00 -0.22 0.00 0.00 54.13 53.74 2br2 s LEU 205 Cb -0.07 -0.54 -0.04 0.00 0.50 0.00 0.00 46.19 46.05 2br2 s LEU 205 CO -0.01 -0.09 -0.21 0.54 -1.32 0.00 0.00 176.35 175.26 2br2 s ASN 206 N 1.25 3.62 0.00 3.68 2.20 -0.14 -5.00 114.94 120.54 2br2 s ASN 206 Ca -0.06 -0.57 0.00 0.00 -0.94 0.00 0.00 52.86 51.29 2br2 s ASN 206 Cb -0.14 -0.45 0.00 0.00 -2.00 0.00 0.00 41.25 38.67 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 1.18 0.83 3.47 0.45 0.00 -1.26 -0.50 105.19 109.36 2br2 n GLY 207 Ca -0.17 -1.68 -0.10 0.00 0.00 0.00 0.00 46.02 44.07 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 -0.70 -0.02 1.61 0.15 -0.14 -4.95 113.70 105.66 2br2 s SER 208 Ca 0.00 1.20 -0.18 0.00 0.70 0.00 0.00 55.95 57.67 2br2 s SER 208 Cb 0.00 1.12 0.03 0.00 -1.71 0.00 0.00 66.02 65.46 2br2 s SER 208 CO 0.00 -0.21 0.37 -0.04 1.20 0.00 0.00 173.24 174.56 2br2 s MET 209 N 1.12 0.74 0.53 5.44 -1.94 -1.26 -4.39 119.30 119.53 2br2 s MET 209 Ca -0.07 -0.13 -0.17 0.00 -1.71 0.00 0.00 55.69 53.62 2br2 s MET 209 Cb -0.06 0.33 -0.07 0.00 2.01 0.00 0.00 34.83 37.05 2br2 s MET 209 CO -0.11 -0.21 1.00 0.95 -0.01 0.00 0.00 175.02 176.64 2br2 s THR 210 N -1.37 4.35 0.30 2.05 -4.23 -1.26 -4.85 115.64 110.63 2br2 s THR 210 Ca -0.13 1.15 0.06 0.00 -1.18 0.00 0.00 61.69 61.59 2br2 s THR 210 Cb -0.04 -3.63 0.30 0.00 1.34 0.00 0.00 72.50 70.46 2br2 s THR 210 CO 0.05 -0.62 1.75 -0.65 -0.54 0.00 0.00 174.62 174.61 2br2 h PRO 211 N 0.87 0.64 -0.18 3.99 0.11 -2.01 0.13 132.00 135.56 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 1.19 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 2br2 h PRO 211 CO 0.60 0.43 0.10 -0.44 -0.21 0.00 0.00 178.00 178.48 2br2 h ASP 212 N 0.66 0.22 -0.54 -2.05 3.32 -1.99 -0.45 116.42 115.59 2br2 h ASP 212 Ca 0.59 -0.08 0.02 0.00 0.02 0.00 0.00 57.03 57.58 2br2 h ASP 212 Cb 0.99 -0.06 -0.03 0.00 0.22 0.00 0.00 39.33 40.45 2br2 h ASP 212 CO -0.42 0.23 0.33 -0.33 -1.72 0.00 0.00 179.24 177.33 2br2 h GLU 213 N 0.19 0.64 -0.59 3.56 5.08 -1.73 -0.59 114.58 121.14 2br2 h GLU 213 Ca 0.06 -0.04 0.06 0.00 -1.00 0.00 0.00 59.36 58.44 2br2 h GLU 213 Cb 0.06 -0.14 -0.05 0.00 0.50 0.00 0.00 28.75 29.11 2br2 h GLU 213 CO -0.01 0.42 0.29 0.35 -1.00 0.00 0.00 179.01 179.07 2br2 h PHE 214 N 0.66 0.54 -0.47 4.33 3.57 -0.54 0.11 116.94 125.14 2br2 h PHE 214 Ca 0.22 0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.63 2br2 h PHE 214 Cb 0.01 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 38.58 2br2 h PHE 214 CO -0.06 0.24 -0.14 0.00 -2.23 0.00 0.00 178.31 176.12 2br2 h ARG 215 N 0.55 0.89 -0.12 1.11 3.08 -0.58 -1.34 114.38 117.97 2br2 h ARG 215 Ca 0.27 -0.33 -0.01 0.00 0.07 0.00 0.00 59.98 59.98 2br2 h ARG 215 Cb 0.21 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.20 2br2 h ARG 215 CO -0.20 0.98 0.05 1.96 -1.07 0.00 0.00 179.97 181.69 2br2 h GLN 216 N 0.79 0.19 -0.74 0.04 4.20 -0.56 -2.29 115.11 116.74 2br2 h GLN 216 Ca 0.12 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.78 2br2 h GLN 216 Cb 0.67 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.39 2br2 h GLN 216 CO 0.05 0.29 0.39 0.00 -0.67 0.00 0.00 178.83 178.88 2br2 h ALA 217 N 0.89 0.95 -0.38 3.87 0.00 -0.72 -1.86 119.26 122.01 2br2 h ALA 217 Ca 0.04 -0.13 0.05 0.00 0.00 0.00 0.00 54.91 54.87 2br2 h ALA 217 Cb 0.17 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.62 2br2 h ALA 217 CO -0.00 0.48 0.13 0.35 0.00 0.00 0.00 179.25 180.21 2br2 h PHE 218 N 1.03 0.23 -0.74 0.00 3.57 -1.15 -0.22 116.94 119.67 2br2 h PHE 218 Ca 0.26 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.81 2br2 h PHE 218 Cb 0.06 -0.05 -0.04 0.00 2.79 0.00 0.00 35.95 38.71 2br2 h PHE 218 CO 0.00 0.09 0.47 -0.44 -2.23 0.00 0.00 178.31 176.20 2br2 h ASP 219 N 0.29 0.77 -0.58 0.41 3.32 -0.85 -2.50 116.42 117.28 2br2 h ASP 219 Ca 0.18 -0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.19 2br2 h ASP 219 Cb 0.16 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.51 2br2 h ASP 219 CO -0.18 0.54 0.24 0.25 -1.72 0.00 0.00 179.24 178.36 2br2 h LEU 220 N 0.92 0.80 -1.18 1.55 5.85 -0.65 -2.69 115.31 119.91 2br2 h LEU 220 Ca 0.29 -0.17 0.05 0.00 0.84 0.00 0.00 57.88 58.89 2br2 h LEU 220 Cb -0.00 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 40.77 2br2 h LEU 220 CO -0.10 0.74 0.57 0.00 -0.34 0.00 0.00 178.44 179.31 2br2 h ALA 221 N 1.08 1.50 -0.45 1.25 0.00 -0.72 -1.87 119.26 120.05 2br2 h ALA 221 Ca 0.19 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 2br2 h ALA 221 Cb 0.19 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 2br2 h ALA 221 CO -0.02 0.39 0.18 0.28 0.00 0.00 0.00 179.25 180.08 2br2 h VAL 222 N 1.03 1.21 -0.62 0.00 2.07 -1.13 0.18 116.25 118.99 2br2 h VAL 222 Ca 0.36 -0.64 -0.02 0.00 0.82 0.00 0.00 66.70 67.22 2br2 h VAL 222 Cb 0.11 0.79 -0.03 0.00 -1.52 0.00 0.00 31.29 30.64 2br2 h VAL 222 CO -0.12 0.24 0.31 0.11 0.02 0.00 0.00 177.57 178.13 2br2 h LYS 223 N 0.58 0.88 0.26 1.57 1.57 -1.24 -0.74 116.57 119.45 2br2 h LYS 223 Ca 0.15 -0.12 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 2br2 h LYS 223 Cb 0.20 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.34 2br2 h LYS 223 CO -0.01 0.69 -0.14 0.78 -0.57 0.00 0.00 179.45 180.20 2br2 h GLY 224 N 0.85 -0.38 0.48 3.86 0.00 -1.05 -2.89 103.07 103.93 2br2 h GLY 224 Ca 0.21 0.15 0.10 0.00 0.00 0.00 0.00 47.33 47.80 2br2 h GLY 224 CO -0.03 -0.15 0.47 -2.22 0.00 0.00 0.00 176.54 174.61 2br2 h ILE 225 N -0.37 0.88 -0.29 2.60 2.04 -0.33 -1.37 117.51 120.67 2br2 h ILE 225 Ca -0.03 -0.26 -0.04 0.00 1.00 0.00 0.00 64.86 65.53 2br2 h ILE 225 Cb 0.29 0.05 -0.02 0.00 -0.74 0.00 0.00 36.82 36.41 2br2 h ILE 225 CO 0.05 0.14 0.02 0.78 0.00 0.00 0.00 178.15 179.13 2br2 h ASN 226 N 0.77 0.40 -0.23 1.72 2.35 -1.01 0.15 115.58 119.73 2br2 h ASN 226 Ca 0.41 -0.06 -0.10 0.00 -0.55 0.00 0.00 56.30 56.00 2br2 h ASN 226 Cb 0.41 -0.10 -0.00 0.00 0.05 0.00 0.00 38.32 38.67 2br2 h ASN 226 CO -0.26 0.45 -0.24 0.40 -1.65 0.00 0.00 177.43 176.12 2br2 h ILE 227 N 0.42 1.32 -0.75 2.81 2.04 -1.07 -2.81 117.51 119.47 2br2 h ILE 227 Ca 0.10 -1.41 -0.01 0.00 1.00 0.00 0.00 64.86 64.54 2br2 h ILE 227 Cb 0.25 1.72 -0.04 0.00 -0.74 0.00 0.00 36.82 38.01 2br2 h ILE 227 CO 0.00 0.44 0.44 0.40 0.00 0.00 0.00 178.15 179.43 2br2 h ILE 228 N 0.26 1.22 -0.49 -0.67 2.04 -0.87 -2.88 117.51 116.12 2br2 h ILE 228 Ca 0.03 -0.49 0.03 0.00 1.00 0.00 0.00 64.86 65.44 2br2 h ILE 228 Cb 0.80 0.19 -0.04 0.00 -0.74 0.00 0.00 36.82 37.03 2br2 h ILE 228 CO 0.06 0.23 0.26 0.22 0.00 0.00 0.00 178.15 178.92 2br2 h TYR 229 N 1.02 0.48 -0.13 1.37 3.20 -0.68 -0.44 116.97 121.79 2br2 h TYR 229 Ca 0.27 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.15 2br2 h TYR 229 Cb -0.02 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.10 2br2 h TYR 229 CO -0.01 0.25 0.08 -0.91 -1.64 0.00 0.00 178.16 175.94 2br2 h ASN 230 N 0.52 0.15 0.17 -2.11 2.35 -1.29 -0.69 115.58 114.68 2br2 h ASN 230 Ca 0.21 -0.00 -0.21 0.00 -0.55 0.00 0.00 56.30 55.74 2br2 h ASN 230 Cb 0.08 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 38.42 2br2 h ASN 230 CO -0.13 0.12 -0.84 -0.07 -1.65 0.00 0.00 177.43 174.86 2br2 h LEU 231 N 0.18 0.64 -0.38 1.61 3.38 -1.05 -2.17 115.31 117.52 2br2 h LEU 231 Ca 0.05 -0.46 -0.01 0.00 0.09 0.00 0.00 57.88 57.55 2br2 h LEU 231 Cb -0.01 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 2br2 h LEU 231 CO -0.01 1.24 0.20 -0.33 0.09 0.00 0.00 178.44 179.63 2br2 h GLU 232 N 0.33 0.53 -0.76 1.13 5.08 -0.28 0.65 114.58 121.26 2br2 h GLU 232 Ca -0.06 -0.06 0.08 0.00 -1.00 0.00 0.00 59.36 58.31 2br2 h GLU 232 Cb 1.45 -0.10 -0.06 0.00 0.50 0.00 0.00 28.75 30.54 2br2 h GLU 232 CO 0.15 0.44 0.43 0.00 -1.00 0.00 0.00 179.01 179.03 2br2 h ARG 233 N 0.48 0.74 0.32 2.33 3.08 -1.13 -1.81 114.38 118.39 2br2 h ARG 233 Ca 0.13 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.12 2br2 h ARG 233 Cb 0.07 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 29.95 2br2 h ARG 233 CO -0.02 0.49 -0.16 1.49 -1.07 0.00 0.00 179.97 180.70 2br2 h GLU 234 N 0.76 -0.42 -0.43 0.04 4.57 -0.99 -2.81 114.58 115.29 2br2 h GLU 234 Ca 0.35 0.03 0.13 0.00 -1.18 0.00 0.00 59.36 58.69 2br2 h GLU 234 Cb 0.27 0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 28.94 2br2 h GLU 234 CO -0.22 -0.23 0.34 0.00 -1.18 0.00 0.00 179.01 177.72 2br2 h ALA 235 N 0.14 2.33 -0.34 2.92 0.00 -0.45 0.11 119.26 123.97 2br2 h ALA 235 Ca -0.04 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.72 2br2 h ALA 235 Cb 0.39 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 2br2 h ALA 235 CO 0.07 -0.56 -0.32 1.25 0.00 0.00 0.00 179.25 179.69 2br2 h LEU 236 N 0.00 0.78 0.00 0.00 5.85 -1.07 0.13 115.31 121.00 2br2 h LEU 236 Ca 0.21 -0.32 -0.00 0.00 0.84 0.00 0.00 57.88 58.60 2br2 h LEU 236 Cb 0.88 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.69 2br2 h LEU 236 CO -0.00 1.04 -0.00 0.11 -0.34 0.00 0.00 178.44 179.25 2br2 h LYS 237 N 0.63 -0.00 -0.00 1.25 1.57 -0.79 -3.39 116.57 115.85 2br2 h LYS 237 Ca 0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 2br2 h LYS 237 Cb 0.85 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.16 2br2 h LYS 237 CO 0.07 0.90 -0.73 -1.13 -0.57 0.00 0.00 179.45 177.99 2br2 n SER 238 N -4.63 0.79 0.00 0.86 3.41 -0.55 -4.96 113.62 108.54 2br2 n SER 238 Ca -0.09 -0.66 0.00 0.00 -0.26 0.00 0.00 58.87 57.86 2br2 n SER 238 Cb 0.43 0.61 0.00 0.00 -0.26 0.00 0.00 64.21 64.99 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 -1.44 0.00 -3.70 4.33 4.01 0.44 -4.91 118.16 116.89 2br2 n LYS 239 Ca 0.05 0.00 -0.12 0.00 -0.51 0.00 0.00 58.31 57.73 2br2 n LYS 239 Cb 0.34 -2.11 -0.12 0.00 -0.51 0.00 0.00 35.03 32.62 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 -2.29 -0.48 -0.02 2.13 5.04 -1.26 -1.22 117.35 119.27 2br2 s TYR 240 Ca 0.00 1.04 0.00 0.00 -2.44 0.00 0.00 57.07 55.68 2br2 s TYR 240 Cb 0.00 0.11 0.03 0.00 0.35 0.00 0.00 41.96 42.45 2br2 s TYR 240 CO 0.00 -0.32 0.02 0.08 -1.34 0.00 0.00 175.55 173.99 2br2 s VAL 241 N 1.74 -0.03 -0.02 3.14 1.01 0.59 -4.83 120.40 122.00 2br2 s VAL 241 Ca -0.06 0.18 0.08 0.00 0.00 0.00 0.00 61.98 62.18 2br2 s VAL 241 Cb -0.10 -0.10 -0.02 0.00 0.00 0.00 0.00 36.38 36.16 2br2 s VAL 241 CO -0.10 0.09 -0.25 -1.61 0.00 0.00 0.00 175.10 173.23 2br2 s GLU 242 N 0.97 2.09 -0.10 2.72 2.02 -1.26 -0.81 118.70 124.33 2br2 s GLU 242 Ca -0.08 -0.90 -0.03 0.00 0.02 0.00 0.00 54.97 53.98 2br2 s GLU 242 Cb -0.12 -1.99 0.05 0.00 0.10 0.00 0.00 34.13 32.17 2br2 s GLU 242 CO -0.03 0.52 0.15 0.12 0.02 0.00 0.00 175.26 176.05 2br2 s PHE 243 N -0.54 -0.13 0.43 1.61 5.36 0.33 -5.00 117.98 120.04 2br2 s PHE 243 Ca 0.08 0.44 -0.22 0.00 -0.96 0.00 0.00 56.93 56.27 2br2 s PHE 243 Cb -0.10 -0.34 -0.09 0.00 -0.34 0.00 0.00 43.02 42.15 2br2 s PHE 243 CO -0.00 -0.32 1.01 -1.59 -1.46 0.00 0.00 175.22 172.86 2br2 s LYS 244 N 2.27 4.08 0.17 10.12 -2.85 -1.26 -0.88 119.74 131.39 2br2 s LYS 244 Ca 0.04 1.35 -0.31 0.00 -1.00 0.00 0.00 55.97 56.05 2br2 s LYS 244 Cb -0.13 -2.31 -0.17 0.00 -2.06 0.00 0.00 37.83 33.17 2br2 s LYS 244 CO -0.06 -0.19 0.77 0.39 0.10 0.00 0.00 175.35 176.35 2br2 n GLU 245 N -0.50 0.33 -3.60 1.78 1.02 -1.26 -4.83 120.64 113.58 2br2 n GLU 245 Ca 0.07 0.12 -0.05 0.00 -0.02 0.00 0.00 57.16 57.27 2br2 n GLU 245 Cb 0.52 -1.32 -0.02 0.00 -0.02 0.00 0.00 31.44 30.60 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 -0.81 0.81 0.34 3.49 -1.05 -1.23 -5.00 118.70 115.24 2br2 s GLU 246 Ca 0.69 -0.37 -0.29 0.00 -0.15 0.00 0.00 54.97 54.86 2br2 s GLU 246 Cb -0.95 0.33 -0.11 0.00 -0.44 0.00 0.00 34.13 32.96 2br2 s GLU 246 CO 0.56 -0.36 1.51 0.20 0.95 0.00 0.00 175.26 178.12 2br2 s GLY 247 N -2.62 2.64 0.00 -3.83 0.00 -1.26 -2.87 107.32 99.37 2br2 s GLY 247 Ca 0.09 1.55 0.21 0.00 0.00 0.00 0.00 44.72 46.57 2br2 s GLY 247 CO -0.05 2.34 1.65 -0.62 0.00 0.00 0.00 173.10 176.42