#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 0.48 0.00 5.56 5.08 -2.12 -2.80 114.58 120.78 2br2 h GLU 3 Ca 0.00 -0.16 -0.01 0.00 -1.00 0.00 0.00 59.36 58.19 2br2 h GLU 3 Cb 0.00 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.21 2br2 h GLU 3 CO 0.00 0.65 -0.05 0.52 -1.00 0.00 0.00 179.01 179.13 2br2 h MET 4 N 0.26 0.00 -6.58 2.33 2.86 -2.14 -3.46 114.93 108.21 2br2 h MET 4 Ca 0.08 0.00 -0.53 0.00 -2.06 0.00 0.00 59.70 57.19 2br2 h MET 4 Cb 0.44 0.00 0.03 0.00 0.06 0.00 0.00 31.60 32.13 2br2 h MET 4 CO 0.02 0.05 0.75 -1.17 1.06 0.00 0.00 176.91 177.62 2br2 s LEU 5 N -6.29 4.37 -0.02 1.22 0.20 -1.06 -5.00 118.68 112.10 2br2 s LEU 5 Ca 0.03 2.40 0.03 0.00 0.69 0.00 0.00 54.13 57.28 2br2 s LEU 5 Cb 0.08 -3.59 -0.00 0.00 -0.43 0.00 0.00 46.19 42.24 2br2 s LEU 5 CO 0.60 -0.68 -0.11 -1.58 -0.29 0.00 0.00 176.35 174.30 2br2 s GLN 6 N 0.95 1.05 0.24 1.98 0.74 -1.26 -5.06 119.66 118.29 2br2 s GLN 6 Ca 0.65 -0.39 -0.32 0.00 0.05 0.00 0.00 55.36 55.35 2br2 s GLN 6 Cb -0.38 -0.99 -0.13 0.00 1.10 0.00 0.00 33.01 32.62 2br2 s GLN 6 CO 0.32 0.19 1.57 1.33 -0.55 0.00 0.00 175.29 178.14 2br2 n VAL 7 N 3.06 0.59 0.09 1.34 0.24 -1.26 -4.91 118.33 117.48 2br2 n VAL 7 Ca -0.16 -0.15 -0.12 0.00 -2.04 0.00 0.00 64.34 61.87 2br2 n VAL 7 Cb 0.55 -1.75 -0.05 0.00 -1.47 0.00 0.00 33.84 31.12 2br2 n VAL 7 CO 0.00 0.00 0.00 1.05 -2.14 0.00 0.00 176.83 175.74 2br2 h GLU 8 N 5.25 -0.34 -6.06 7.34 9.09 -2.05 -3.44 114.58 124.37 2br2 h GLU 8 Ca -0.45 0.02 -0.77 0.00 0.05 0.00 0.00 59.36 58.21 2br2 h GLU 8 Cb 1.24 0.08 0.05 0.00 -1.65 0.00 0.00 28.75 28.46 2br2 h GLU 8 CO 0.83 -0.23 0.22 -2.13 0.05 0.00 0.00 179.01 177.76 2br2 n ARG 9 N -5.33 0.29 -2.25 1.06 0.63 -1.26 -4.92 116.66 104.89 2br2 n ARG 9 Ca -0.06 0.10 -0.36 0.00 -0.92 0.00 0.00 57.85 56.62 2br2 n ARG 9 Cb 0.24 -1.64 -0.00 0.00 0.45 0.00 0.00 32.46 31.51 2br2 n ARG 9 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 2br2 s PRO 10 N 0.46 3.47 0.30 -0.14 0.04 -1.26 -5.03 135.00 132.83 2br2 s PRO 10 Ca 0.91 1.68 -0.29 0.00 0.04 0.00 0.00 61.00 63.33 2br2 s PRO 10 Cb -1.21 -2.13 -0.10 0.00 0.04 0.00 0.00 34.50 31.09 2br2 s PRO 10 CO 0.57 -0.77 1.38 0.15 0.04 0.00 0.00 177.00 178.37 2br2 s LYS 11 N -3.10 4.30 -0.04 4.56 -0.14 -1.26 -4.94 119.74 119.12 2br2 s LYS 11 Ca 0.70 2.28 0.16 0.00 -1.36 0.00 0.00 55.97 57.74 2br2 s LYS 11 Cb -0.26 -3.08 -0.24 0.00 -1.68 0.00 0.00 37.83 32.57 2br2 s LYS 11 CO 0.30 -0.32 0.29 1.28 -0.76 0.00 0.00 175.35 176.14 2br2 n LEU 12 N 1.49 0.00 -4.22 3.17 4.77 -1.26 -4.86 117.00 116.09 2br2 n LEU 12 Ca 0.03 0.00 -0.34 0.00 -0.03 0.00 0.00 56.01 55.68 2br2 n LEU 12 Cb 0.41 0.07 -0.15 0.00 -2.33 0.00 0.00 43.42 41.41 2br2 n LEU 12 CO 0.60 0.07 -0.48 -0.63 -1.33 0.00 0.00 177.39 175.62 2br2 s ILE 13 N -2.97 2.61 0.00 -0.08 -1.09 -1.26 -3.97 121.20 114.43 2br2 s ILE 13 Ca -0.06 -0.77 0.00 0.00 -2.23 0.00 0.00 60.65 57.59 2br2 s ILE 13 Cb 0.09 -2.12 0.00 0.00 -1.58 0.00 0.00 42.46 38.85 2br2 s ILE 13 CO 0.65 0.50 0.00 0.18 -1.23 0.00 0.00 174.94 175.05 2br2 n LEU 14 N 4.44 0.00 -4.77 2.97 4.77 0.27 -4.96 117.00 119.72 2br2 n LEU 14 Ca -0.20 0.00 -0.40 0.00 -0.03 0.00 0.00 56.01 55.38 2br2 n LEU 14 Cb 0.51 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 2br2 n LEU 14 CO 0.28 0.00 1.06 -0.62 -1.33 0.00 0.00 177.39 176.77 2br2 s ASP 15 N 0.44 6.23 0.57 -1.43 2.15 -1.26 -4.19 116.67 119.18 2br2 s ASP 15 Ca 0.00 2.88 0.00 0.00 0.43 0.00 0.00 52.55 55.86 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 -0.93 0.00 0.47 -0.17 0.00 0.00 175.17 174.54 2br2 n ASP 16 N 0.20 -3.91 -0.07 -0.34 8.00 -1.26 -2.86 116.55 116.31 2br2 n ASP 16 Ca 0.03 0.11 0.00 0.00 0.71 0.00 0.00 54.79 55.64 2br2 n ASP 16 Cb 0.41 -0.34 0.00 0.00 -0.02 0.00 0.00 41.12 41.17 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 -0.33 -0.32 3.91 0.44 0.00 -1.26 -4.90 105.19 102.73 2br2 n GLY 17 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.86 3.50 0.57 1.61 1.02 -1.14 -4.20 119.74 119.24 2br2 s LYS 18 Ca 0.00 0.08 0.08 0.00 0.02 0.00 0.00 55.97 56.14 2br2 s LYS 18 Cb 0.00 -2.43 0.08 0.00 -0.52 0.00 0.00 37.83 34.96 2br2 s LYS 18 CO 0.00 -0.16 0.64 0.54 -0.92 0.00 0.00 175.35 175.45 2br2 n ARG 19 N -2.18 0.63 0.25 1.68 1.74 0.27 0.98 116.66 120.03 2br2 n ARG 19 Ca -0.00 -3.25 0.09 0.00 -0.77 0.00 0.00 57.85 53.91 2br2 n ARG 19 Cb 0.55 0.01 0.63 0.00 -1.02 0.00 0.00 32.46 32.63 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 0.33 0.90 -0.39 0.55 1.35 -1.88 -1.05 112.91 112.72 2br2 h THR 20 Ca -0.30 -0.43 0.00 0.00 -0.55 0.00 0.00 66.41 65.13 2br2 h THR 20 Cb 1.26 1.24 0.00 0.00 -1.73 0.00 0.00 68.15 68.92 2br2 h THR 20 CO 0.45 0.11 0.00 -0.90 -0.25 0.00 0.00 175.52 174.94 2br2 n ASP 21 N -4.13 2.89 0.00 5.36 3.85 -1.26 -4.94 116.55 118.32 2br2 n ASP 21 Ca -0.02 -1.92 0.00 0.00 -0.71 0.00 0.00 54.79 52.13 2br2 n ASP 21 Cb 0.20 -0.25 0.00 0.00 -1.35 0.00 0.00 41.12 39.72 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 1.38 0.81 3.81 6.12 0.00 -0.40 -5.06 105.19 111.86 2br2 n GLY 22 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.64 3.77 0.62 1.61 0.52 -1.26 -4.59 118.95 118.97 2br2 s ARG 23 Ca 0.00 1.24 -0.12 0.00 -0.52 0.00 0.00 55.73 56.33 2br2 s ARG 23 Cb 0.00 -2.10 -0.04 0.00 0.52 0.00 0.00 34.95 33.33 2br2 s ARG 23 CO 0.00 -0.44 1.03 0.15 0.02 0.00 0.00 175.30 176.05 2br2 s LYS 24 N -3.53 3.57 0.54 3.54 1.02 -1.26 -0.56 119.74 123.06 2br2 s LYS 24 Ca 0.65 0.80 0.28 0.00 0.02 0.00 0.00 55.97 57.72 2br2 s LYS 24 Cb -0.14 -2.08 1.45 0.00 -0.52 0.00 0.00 37.83 36.54 2br2 s LYS 24 CO 0.24 -0.60 1.94 -1.35 -0.92 0.00 0.00 175.35 174.67 2br2 h PRO 25 N -0.21 0.00 -0.74 -1.68 0.11 -1.89 -2.09 132.00 125.50 2br2 h PRO 25 Ca -0.44 0.00 -0.29 0.00 0.11 0.00 0.00 66.00 65.38 2br2 h PRO 25 Cb 1.19 0.00 -0.17 0.00 0.11 0.00 0.00 31.00 32.13 2br2 h PRO 25 CO 0.61 0.00 0.33 -0.40 -0.21 0.00 0.00 178.00 178.33 2br2 n ASP 26 N -4.24 4.19 -4.41 -2.05 5.75 -1.26 -0.59 116.55 113.94 2br2 n ASP 26 Ca 0.13 -3.39 -0.33 0.00 -0.01 0.00 0.00 54.79 51.19 2br2 n ASP 26 Cb 0.75 -0.75 -0.14 0.00 -1.03 0.00 0.00 41.12 39.95 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 -3.11 3.19 0.48 0.11 2.02 -0.79 -0.77 118.70 119.84 2br2 s GLU 27 Ca 0.54 -0.67 -0.19 0.00 0.02 0.00 0.00 54.97 54.67 2br2 s GLU 27 Cb 0.44 -2.59 -0.09 0.00 0.10 0.00 0.00 34.13 31.99 2br2 s GLU 27 CO 0.11 0.32 0.98 -0.51 0.02 0.00 0.00 175.26 176.18 2br2 s LEU 28 N 0.07 3.77 1.01 1.80 1.43 -1.12 -4.74 118.68 120.90 2br2 s LEU 28 Ca -0.05 1.66 -0.12 0.00 -1.03 0.00 0.00 54.13 54.58 2br2 s LEU 28 Cb -0.14 -4.53 0.19 0.00 0.03 0.00 0.00 46.19 41.74 2br2 s LEU 28 CO 0.04 -0.52 1.10 -0.13 0.23 0.00 0.00 176.35 177.07 2br2 s ARG 29 N -3.62 0.35 0.50 1.70 0.52 -1.26 -3.52 118.95 113.62 2br2 s ARG 29 Ca 0.61 0.47 -0.22 0.00 -0.52 0.00 0.00 55.73 56.07 2br2 s ARG 29 Cb -0.10 -1.73 -0.06 0.00 0.52 0.00 0.00 34.95 33.57 2br2 s ARG 29 CO 0.23 -2.77 1.22 -1.54 0.02 0.00 0.00 175.30 172.45 2br2 s SER 30 N -3.48 5.83 -0.03 0.23 1.04 -1.26 -4.55 113.70 111.47 2br2 s SER 30 Ca 0.65 2.43 0.07 0.00 0.48 0.00 0.00 55.95 59.59 2br2 s SER 30 Cb -0.18 -2.61 -0.02 0.00 0.10 0.00 0.00 66.02 63.31 2br2 s SER 30 CO 0.57 -1.16 -0.25 -0.63 0.98 0.00 0.00 173.24 172.75 2br2 s ILE 31 N -1.49 2.10 -0.03 -1.02 1.01 -0.07 -0.30 121.20 121.40 2br2 s ILE 31 Ca 0.67 -1.08 0.01 0.00 0.00 0.00 0.00 60.65 60.25 2br2 s ILE 31 Cb -0.32 -1.74 0.02 0.00 0.01 0.00 0.00 42.46 40.44 2br2 s ILE 31 CO 0.38 0.58 -0.02 -0.75 0.00 0.00 0.00 174.94 175.12 2br2 s LYS 32 N -0.47 0.48 -0.03 2.79 2.20 -0.45 -0.69 119.74 123.57 2br2 s LYS 32 Ca 0.06 -0.03 0.01 0.00 -0.36 0.00 0.00 55.97 55.65 2br2 s LYS 32 Cb -0.11 -0.57 0.02 0.00 -1.51 0.00 0.00 37.83 35.66 2br2 s LYS 32 CO 0.01 -0.07 -0.03 0.42 -0.36 0.00 0.00 175.35 175.31 2br2 s ILE 33 N 0.77 0.40 0.02 5.43 1.01 0.01 -0.12 121.20 128.71 2br2 s ILE 33 Ca -0.09 -0.06 -0.00 0.00 0.00 0.00 0.00 60.65 60.50 2br2 s ILE 33 Cb -0.12 -0.44 -0.02 0.00 0.01 0.00 0.00 42.46 41.90 2br2 s ILE 33 CO -0.01 0.19 -0.02 -1.83 0.00 0.00 0.00 174.94 173.27 2br2 s GLU 34 N 0.85 0.28 0.23 2.79 -1.05 -0.56 -0.58 118.70 120.66 2br2 s GLU 34 Ca -0.10 -0.52 0.10 0.00 -0.15 0.00 0.00 54.97 54.30 2br2 s GLU 34 Cb -0.13 0.10 -0.04 0.00 -0.44 0.00 0.00 34.13 33.62 2br2 s GLU 34 CO -0.00 -0.05 -0.09 -0.51 0.95 0.00 0.00 175.26 175.56 2br2 s LEU 35 N -1.27 2.95 -1.12 1.83 1.02 -0.23 -0.40 118.68 121.46 2br2 s LEU 35 Ca -0.14 -0.69 -0.05 0.00 0.02 0.00 0.00 54.13 53.27 2br2 s LEU 35 Cb -0.09 -1.56 0.01 0.00 0.02 0.00 0.00 46.19 44.57 2br2 s LEU 35 CO -0.01 0.06 0.65 0.61 0.02 0.00 0.00 176.35 177.68 2br2 n GLY 36 N -0.36 -0.21 0.13 -3.19 0.00 0.32 -4.90 105.19 96.97 2br2 n GLY 36 Ca -0.09 -0.04 0.12 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.48 0.00 -3.34 1.61 3.04 -1.85 -3.44 116.25 110.79 2br2 h VAL 37 Ca -0.42 -0.75 -0.65 0.00 -1.01 0.00 0.00 66.70 63.87 2br2 h VAL 37 Cb 1.28 1.51 -0.27 0.00 -2.01 0.00 0.00 31.29 31.80 2br2 h VAL 37 CO 0.43 0.00 -0.74 -0.76 -1.01 0.00 0.00 177.57 175.49 2br2 s LEU 38 N -5.10 2.84 0.07 3.16 1.43 -1.26 -5.03 118.68 114.79 2br2 s LEU 38 Ca 0.06 -0.34 -0.16 0.00 -1.03 0.00 0.00 54.13 52.65 2br2 s LEU 38 Cb 0.10 -1.69 -0.13 0.00 0.03 0.00 0.00 46.19 44.51 2br2 s LEU 38 CO 0.70 0.07 1.34 0.11 0.23 0.00 0.00 176.35 178.80 2br2 h LYS 39 N 7.39 0.60 -0.54 1.70 6.56 -2.01 -3.30 116.57 126.98 2br2 h LYS 39 Ca -0.34 -0.38 0.00 0.00 -1.06 0.00 0.00 60.65 58.87 2br2 h LYS 39 Cb 1.18 0.04 0.00 0.00 -0.57 0.00 0.00 32.23 32.89 2br2 h LYS 39 CO 0.59 0.99 0.00 0.09 -2.06 0.00 0.00 179.45 179.06 2br2 n ASN 40 N -4.27 2.69 -4.69 0.86 3.02 -1.26 -4.85 115.26 106.75 2br2 n ASN 40 Ca -0.06 -2.18 -0.23 0.00 -0.03 0.00 0.00 54.58 52.08 2br2 n ASN 40 Cb 0.52 -0.39 -0.07 0.00 -0.61 0.00 0.00 39.78 39.23 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 -1.63 3.27 0.03 5.41 0.00 -1.25 -5.04 121.76 122.55 2br2 s ALA 41 Ca 0.28 -1.55 0.13 0.00 0.00 0.00 0.00 51.96 50.82 2br2 s ALA 41 Cb 0.17 -0.93 0.13 0.00 0.00 0.00 0.00 23.12 22.49 2br2 s ALA 41 CO 0.15 0.29 1.47 -0.44 0.00 0.00 0.00 175.76 177.23 2br2 h ASP 42 N 1.91 0.00 -5.00 0.00 3.32 -1.41 -3.46 116.42 111.78 2br2 h ASP 42 Ca -0.46 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.52 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 0.64 0.07 -0.83 -1.72 0.00 0.00 179.24 178.00 2br2 s GLY 43 N -4.52 -0.47 -0.02 2.75 0.00 -1.02 -3.77 107.32 100.27 2br2 s GLY 43 Ca 0.02 1.06 -0.25 0.00 0.00 0.00 0.00 44.72 45.55 2br2 s GLY 43 CO 0.76 0.74 0.56 -1.35 0.00 0.00 0.00 173.10 173.81 2br2 s SER 44 N -1.23 -0.50 -0.06 1.64 1.04 -1.25 -0.16 113.70 113.18 2br2 s SER 44 Ca -0.12 0.46 -0.17 0.00 0.48 0.00 0.00 55.95 56.60 2br2 s SER 44 Cb -0.01 0.47 0.03 0.00 0.10 0.00 0.00 66.02 66.62 2br2 s SER 44 CO 0.08 -0.59 0.39 0.00 0.98 0.00 0.00 173.24 174.10 2br2 s ALA 45 N -1.47 -0.98 -0.14 5.32 0.00 -0.69 -0.52 121.76 123.28 2br2 s ALA 45 Ca -0.11 0.70 -0.02 0.00 0.00 0.00 0.00 51.96 52.53 2br2 s ALA 45 Cb -0.01 -0.15 -0.02 0.00 0.00 0.00 0.00 23.12 22.93 2br2 s ALA 45 CO 0.06 -0.26 -0.08 0.42 0.00 0.00 0.00 175.76 175.91 2br2 s ILE 46 N -0.86 3.49 -0.07 0.00 1.01 0.47 -0.92 121.20 124.33 2br2 s ILE 46 Ca -0.09 -0.50 0.05 0.00 0.00 0.00 0.00 60.65 60.10 2br2 s ILE 46 Cb -0.04 -2.50 -0.01 0.00 0.01 0.00 0.00 42.46 39.93 2br2 s ILE 46 CO 0.04 0.51 -0.22 0.12 0.00 0.00 0.00 174.94 175.39 2br2 s PHE 47 N 0.32 2.26 -0.11 3.97 5.36 -0.45 -1.50 117.98 127.83 2br2 s PHE 47 Ca -0.07 -0.75 0.01 0.00 -0.96 0.00 0.00 56.93 55.16 2br2 s PHE 47 Cb -0.15 -1.51 0.02 0.00 -0.34 0.00 0.00 43.02 41.04 2br2 s PHE 47 CO 0.04 -0.26 -0.13 -1.21 -1.46 0.00 0.00 175.22 172.20 2br2 s GLU 48 N 0.05 2.04 -0.28 10.12 2.02 0.83 -1.21 118.70 132.26 2br2 s GLU 48 Ca -0.08 -0.48 -0.00 0.00 0.02 0.00 0.00 54.97 54.43 2br2 s GLU 48 Cb -0.14 -1.82 0.05 0.00 0.10 0.00 0.00 34.13 32.32 2br2 s GLU 48 CO 0.05 -0.13 -0.05 -1.64 0.02 0.00 0.00 175.26 173.51 2br2 s MET 49 N 1.20 2.46 4.47 1.61 -1.94 0.20 -1.34 119.30 125.96 2br2 s MET 49 Ca -0.03 -1.23 0.00 0.00 -1.71 0.00 0.00 55.69 52.72 2br2 s MET 49 Cb -0.14 -3.05 0.00 0.00 2.01 0.00 0.00 34.83 33.65 2br2 s MET 49 CO -0.04 -0.56 0.00 0.41 -0.01 0.00 0.00 175.02 174.82 2br2 n GLY 50 N 4.57 3.21 0.70 -0.03 0.00 0.59 -0.81 105.19 113.43 2br2 n GLY 50 Ca -0.14 0.26 0.12 0.00 0.00 0.00 0.00 46.02 46.26 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 6.33 2.31 -4.67 1.61 3.02 -1.26 -4.84 115.26 117.75 2br2 n ASN 51 Ca 0.00 -1.70 -0.42 0.00 -0.03 0.00 0.00 54.58 52.43 2br2 n ASN 51 Cb 0.00 0.10 -0.03 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 -2.13 4.82 -0.06 3.41 2.01 0.01 -4.30 115.64 119.40 2br2 s THR 52 Ca 0.28 1.83 -0.00 0.00 0.31 0.00 0.00 61.69 64.11 2br2 s THR 52 Cb 0.20 -4.22 0.03 0.00 0.01 0.00 0.00 72.50 68.51 2br2 s THR 52 CO 0.38 -0.01 -0.01 -0.54 -0.69 0.00 0.00 174.62 173.74 2br2 s LYS 53 N 2.26 0.59 0.05 4.92 1.02 -0.24 -0.63 119.74 127.71 2br2 s LYS 53 Ca 0.43 0.06 0.06 0.00 0.02 0.00 0.00 55.97 56.53 2br2 s LYS 53 Cb -0.17 -0.83 -0.03 0.00 -0.52 0.00 0.00 37.83 36.29 2br2 s LYS 53 CO 0.13 -0.21 -0.17 0.00 -0.92 0.00 0.00 175.35 174.18 2br2 s ALA 54 N 1.52 1.41 -0.07 5.17 0.00 -0.35 0.38 121.76 129.82 2br2 s ALA 54 Ca -0.02 -0.96 0.03 0.00 0.00 0.00 0.00 51.96 51.01 2br2 s ALA 54 Cb -0.13 -0.22 -0.02 0.00 0.00 0.00 0.00 23.12 22.74 2br2 s ALA 54 CO -0.03 0.28 -0.15 -1.50 0.00 0.00 0.00 175.76 174.36 2br2 s ILE 55 N -0.92 2.98 -0.00 0.00 2.07 -0.16 -1.34 121.20 123.83 2br2 s ILE 55 Ca 0.03 -0.74 0.05 0.00 -1.41 0.00 0.00 60.65 58.59 2br2 s ILE 55 Cb -0.09 -2.18 -0.02 0.00 0.13 0.00 0.00 42.46 40.31 2br2 s ILE 55 CO 0.02 0.57 -0.17 0.00 -1.91 0.00 0.00 174.94 173.45 2br2 s ALA 56 N -0.43 1.44 -0.01 1.50 0.00 -0.09 -0.73 121.76 123.43 2br2 s ALA 56 Ca 0.05 -0.78 0.04 0.00 0.00 0.00 0.00 51.96 51.27 2br2 s ALA 56 Cb -0.12 -0.35 -0.01 0.00 0.00 0.00 0.00 23.12 22.64 2br2 s ALA 56 CO 0.02 0.34 -0.14 0.00 0.00 0.00 0.00 175.76 175.99 2br2 s ALA 57 N -0.48 1.15 -0.11 0.00 0.00 0.37 -1.70 121.76 120.99 2br2 s ALA 57 Ca 0.06 -0.59 0.03 0.00 0.00 0.00 0.00 51.96 51.46 2br2 s ALA 57 Cb -0.07 -0.30 -0.00 0.00 0.00 0.00 0.00 23.12 22.75 2br2 s ALA 57 CO -0.00 0.28 -0.21 0.08 0.00 0.00 0.00 175.76 175.90 2br2 s VAL 58 N -0.29 2.30 -0.39 0.00 1.01 0.78 -0.79 120.40 123.01 2br2 s VAL 58 Ca 0.05 -0.93 -0.06 0.00 0.00 0.00 0.00 61.98 61.03 2br2 s VAL 58 Cb -0.06 -1.90 0.08 0.00 0.00 0.00 0.00 36.38 34.50 2br2 s VAL 58 CO -0.00 0.55 0.19 -0.31 0.00 0.00 0.00 175.10 175.53 2br2 s TYR 59 N 0.39 3.39 1.35 5.22 1.51 -0.19 -1.03 117.35 127.98 2br2 s TYR 59 Ca -0.16 -1.82 -0.21 0.00 -1.01 0.00 0.00 57.07 53.87 2br2 s TYR 59 Cb -0.17 -2.86 0.33 0.00 -0.11 0.00 0.00 41.96 39.15 2br2 s TYR 59 CO 0.07 -0.87 0.75 0.41 -1.11 0.00 0.00 175.55 174.80 2br2 n GLY 60 N 4.78 -3.47 3.68 0.71 0.00 -1.26 -2.49 105.19 107.13 2br2 n GLY 60 Ca -0.09 -1.46 -0.46 0.00 0.00 0.00 0.00 46.02 44.02 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 -4.74 2.28 -3.75 1.61 -0.02 -1.26 -4.68 135.00 124.44 2br2 n PRO 61 Ca 0.11 0.83 -0.13 0.00 -2.02 0.00 0.00 63.50 62.29 2br2 n PRO 61 Cb 0.53 -2.64 -0.09 0.00 -0.02 0.00 0.00 33.50 31.28 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 1.97 0.58 0.27 -0.52 -2.85 -0.93 -4.95 119.74 113.31 2br2 s LYS 62 Ca 0.83 0.07 -0.29 0.00 -1.00 0.00 0.00 55.97 55.58 2br2 s LYS 62 Cb -0.65 0.26 -0.15 0.00 -2.06 0.00 0.00 37.83 35.24 2br2 s LYS 62 CO 0.41 -0.14 0.97 0.39 0.10 0.00 0.00 175.35 177.08 2br2 n GLU 63 N 1.88 1.17 -3.58 1.78 1.02 -1.26 -0.34 120.64 121.31 2br2 n GLU 63 Ca -0.18 0.41 -0.36 0.00 -0.02 0.00 0.00 57.16 57.01 2br2 n GLU 63 Cb 0.57 -1.75 -0.07 0.00 -0.02 0.00 0.00 31.44 30.16 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 -1.36 4.18 0.00 3.49 1.75 -1.18 -4.69 119.30 121.49 2br2 s MET 64 Ca 0.61 0.06 0.00 0.00 -1.25 0.00 0.00 55.69 55.11 2br2 s MET 64 Cb -0.74 -3.40 0.00 0.00 2.84 0.00 0.00 34.83 33.52 2br2 s MET 64 CO 0.59 0.30 0.73 -2.39 -0.65 0.00 0.00 175.02 173.59 2br2 n HIS 65 N 3.39 0.00 -3.20 4.11 1.44 -1.26 -3.86 115.22 115.84 2br2 n HIS 65 Ca -0.13 0.00 -0.42 0.00 -2.01 0.00 0.00 57.72 55.16 2br2 n HIS 65 Cb 0.52 -0.23 -0.07 0.00 0.12 0.00 0.00 29.99 30.33 2br2 n HIS 65 CO 0.00 0.00 0.00 -1.25 -2.81 0.00 0.00 176.34 172.28 2br2 s PRO 66 N -1.90 3.56 0.46 -1.40 0.05 -1.26 -4.97 135.00 129.53 2br2 s PRO 66 Ca 0.00 -0.18 0.14 0.00 0.05 0.00 0.00 61.00 61.00 2br2 s PRO 66 Cb 0.00 -3.84 1.08 0.00 0.05 0.00 0.00 34.50 31.79 2br2 s PRO 66 CO 0.00 -0.72 2.05 -0.09 0.05 0.00 0.00 177.00 178.29 2br2 h ARG 67 N 8.53 0.30 0.00 4.56 2.43 -1.99 -1.22 114.38 126.99 2br2 h ARG 67 Ca -0.27 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.88 2br2 h ARG 67 Cb 1.12 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.60 2br2 h ARG 67 CO 0.80 0.20 0.00 1.12 -1.51 0.00 0.00 179.97 180.58 2br2 h HIS 68 N 0.31 0.00 -0.01 2.20 2.07 -1.93 -1.00 115.15 116.79 2br2 h HIS 68 Ca 0.17 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.69 2br2 h HIS 68 Cb 0.28 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.26 2br2 h HIS 68 CO -0.00 0.00 -0.23 1.28 -3.07 0.00 0.00 177.93 175.91 2br2 n LEU 69 N -2.93 0.87 -4.95 6.12 4.77 -0.46 -4.91 117.00 115.51 2br2 n LEU 69 Ca -0.02 -0.18 -0.26 0.00 -0.03 0.00 0.00 56.01 55.52 2br2 n LEU 69 Cb 0.10 -0.15 0.10 0.00 -2.33 0.00 0.00 43.42 41.15 2br2 n LEU 69 CO 0.20 0.16 0.66 -0.94 -1.33 0.00 0.00 177.39 176.14 2br2 s SER 70 N -2.52 4.31 0.03 -1.43 1.04 -0.38 -5.00 113.70 109.75 2br2 s SER 70 Ca 0.25 0.21 0.08 0.00 0.48 0.00 0.00 55.95 56.96 2br2 s SER 70 Cb 0.19 -0.66 -0.02 0.00 0.10 0.00 0.00 66.02 65.63 2br2 s SER 70 CO 0.52 -1.92 -0.23 -0.76 0.98 0.00 0.00 173.24 171.83 2br2 s LEU 71 N -5.36 2.13 0.47 2.42 1.43 -1.26 -5.02 118.68 113.49 2br2 s LEU 71 Ca 0.65 -0.50 0.26 0.00 -1.03 0.00 0.00 54.13 53.51 2br2 s LEU 71 Cb -0.08 -1.10 0.71 0.00 0.03 0.00 0.00 46.19 45.75 2br2 s LEU 71 CO 0.46 0.22 1.74 1.55 0.23 0.00 0.00 176.35 180.55 2br2 h PRO 72 N 5.06 0.00 0.00 1.29 0.13 -1.97 -0.72 132.00 135.79 2br2 h PRO 72 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 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 0.45 0.05 -0.67 -0.40 -0.23 0.00 0.00 178.00 177.19 2br2 n ASP 73 N -3.12 1.44 -4.04 1.44 5.75 -1.26 -4.58 116.55 112.17 2br2 n ASP 73 Ca 0.02 -0.42 -0.09 0.00 -0.01 0.00 0.00 54.79 54.30 2br2 n ASP 73 Cb 0.46 1.11 -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 -1.93 0.88 0.39 0.11 0.52 -1.25 -4.40 118.95 113.26 2br2 s ARG 74 Ca 0.01 -1.24 -0.17 0.00 -0.52 0.00 0.00 55.73 53.80 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 0.28 -0.26 0.85 0.00 0.02 0.00 0.00 175.30 176.18 2br2 s ALA 75 N -3.97 3.19 -0.19 2.13 0.00 0.35 -2.88 121.76 120.39 2br2 s ALA 75 Ca 0.15 0.17 -0.14 0.00 0.00 0.00 0.00 51.96 52.14 2br2 s ALA 75 Cb 0.06 -2.94 -0.04 0.00 0.00 0.00 0.00 23.12 20.19 2br2 s ALA 75 CO -0.04 0.17 0.30 0.08 0.00 0.00 0.00 175.76 176.26 2br2 s VAL 76 N -2.16 5.29 -0.03 0.00 1.01 -0.27 -4.93 120.40 119.31 2br2 s VAL 76 Ca 0.57 0.52 -0.21 0.00 0.00 0.00 0.00 61.98 62.86 2br2 s VAL 76 Cb -0.10 -3.63 -0.05 0.00 0.00 0.00 0.00 36.38 32.60 2br2 s VAL 76 CO 0.18 0.34 0.62 -0.76 0.00 0.00 0.00 175.10 175.49 2br2 s LEU 77 N 0.84 4.37 -0.21 3.92 1.43 -1.26 -0.78 118.68 126.99 2br2 s LEU 77 Ca 0.15 1.15 -0.00 0.00 -1.03 0.00 0.00 54.13 54.39 2br2 s LEU 77 Cb -0.13 -2.96 0.02 0.00 0.03 0.00 0.00 46.19 43.14 2br2 s LEU 77 CO 0.05 0.02 -0.13 -0.13 0.23 0.00 0.00 176.35 176.39 2br2 s ARG 78 N 0.20 3.00 -0.05 1.70 0.52 -0.51 -4.95 118.95 118.87 2br2 s ARG 78 Ca 0.33 -0.85 0.05 0.00 -0.52 0.00 0.00 55.73 54.74 2br2 s ARG 78 Cb -0.18 -2.77 -0.01 0.00 0.52 0.00 0.00 34.95 32.51 2br2 s ARG 78 CO 0.17 -0.27 -0.21 0.08 0.02 0.00 0.00 175.30 175.09 2br2 s VAL 79 N 1.33 1.70 -0.17 3.52 1.01 -1.26 -0.16 120.40 126.37 2br2 s VAL 79 Ca 0.03 -0.88 0.01 0.00 0.00 0.00 0.00 61.98 61.14 2br2 s VAL 79 Cb -0.14 -1.45 0.03 0.00 0.00 0.00 0.00 36.38 34.81 2br2 s VAL 79 CO -0.09 0.48 -0.16 -0.60 0.00 0.00 0.00 175.10 174.74 2br2 s ARG 80 N -0.10 2.54 -0.26 2.72 3.52 -0.52 -4.91 118.95 121.94 2br2 s ARG 80 Ca -0.02 -0.74 -0.10 0.00 -0.13 0.00 0.00 55.73 54.74 2br2 s ARG 80 Cb -0.12 -2.36 -0.04 0.00 -1.56 0.00 0.00 34.95 30.86 2br2 s ARG 80 CO 0.02 -0.26 0.15 -0.47 -0.81 0.00 0.00 175.30 173.93 2br2 s TYR 81 N 1.38 3.20 -0.06 5.12 5.04 -1.26 -1.04 117.35 129.72 2br2 s TYR 81 Ca 0.04 -0.00 -0.06 0.00 -2.44 0.00 0.00 57.07 54.60 2br2 s TYR 81 Cb -0.14 -2.32 0.02 0.00 0.35 0.00 0.00 41.96 39.87 2br2 s TYR 81 CO -0.11 -0.17 0.18 -1.58 -1.34 0.00 0.00 175.55 172.53 2br2 s HIS 82 N 1.57 -0.17 -0.19 4.97 2.46 -1.03 -4.81 115.29 118.09 2br2 s HIS 82 Ca 0.07 0.42 -0.06 0.00 0.47 0.00 0.00 55.06 55.96 2br2 s HIS 82 Cb -0.15 0.06 -0.03 0.00 -0.13 0.00 0.00 32.58 32.32 2br2 s HIS 82 CO 0.08 -0.12 0.02 -1.64 -2.47 0.00 0.00 174.74 170.61 2br2 s MET 83 N -0.07 3.71 0.52 2.88 1.00 -1.26 -0.17 119.30 125.91 2br2 s MET 83 Ca -0.02 -0.48 -0.21 0.00 0.00 0.00 0.00 55.69 54.99 2br2 s MET 83 Cb -0.02 -3.11 -0.06 0.00 0.00 0.00 0.00 34.83 31.65 2br2 s MET 83 CO 0.00 0.09 1.22 0.95 0.00 0.00 0.00 175.02 177.28 2br2 s THR 84 N 0.81 2.76 0.61 2.05 -4.23 -0.78 -4.83 115.64 112.03 2br2 s THR 84 Ca 0.01 0.53 0.32 0.00 -1.18 0.00 0.00 61.69 61.38 2br2 s THR 84 Cb -0.14 -3.25 0.37 0.00 1.34 0.00 0.00 72.50 70.82 2br2 s THR 84 CO 0.02 -0.04 2.15 -0.65 -0.54 0.00 0.00 174.62 175.56 2br2 h PRO 85 N 1.52 0.00 -0.53 3.99 0.11 -1.91 -1.69 132.00 133.50 2br2 h PRO 85 Ca -0.50 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.50 2br2 h PRO 85 Cb 1.27 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 32.32 2br2 h PRO 85 CO 0.58 0.00 0.11 1.97 -0.21 0.00 0.00 178.00 180.44 2br2 n PHE 86 N -3.56 1.81 0.57 0.65 1.16 -1.26 -2.19 117.46 114.63 2br2 n PHE 86 Ca -0.00 -1.07 0.12 0.00 -1.87 0.00 0.00 57.45 54.63 2br2 n PHE 86 Cb 0.25 -0.53 0.24 0.00 -1.61 0.00 0.00 39.48 37.83 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 2.48 0.00 -2.32 5.98 4.64 -1.44 -3.46 113.55 119.43 2br2 h SER 87 Ca 0.14 -0.13 -0.57 0.00 -0.47 0.00 0.00 61.79 60.76 2br2 h SER 87 Cb 1.94 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 63.90 2br2 h SER 87 CO 0.51 0.07 -0.57 0.42 -0.87 0.00 0.00 176.83 176.39 2br2 s THR 88 N -3.15 1.22 0.13 2.95 -4.23 -1.26 -0.11 115.64 111.18 2br2 s THR 88 Ca 0.07 -2.00 -0.14 0.00 -1.18 0.00 0.00 61.69 58.44 2br2 s THR 88 Cb 0.13 -2.61 -0.02 0.00 1.34 0.00 0.00 72.50 71.34 2br2 s THR 88 CO 0.68 0.00 1.55 0.44 -0.54 0.00 0.00 174.62 176.76 2br2 h ASP 89 N 1.82 0.74 -2.90 3.99 3.32 -1.91 -3.41 116.42 118.06 2br2 h ASP 89 Ca -0.41 -0.33 -0.63 0.00 0.02 0.00 0.00 57.03 55.68 2br2 h ASP 89 Cb 1.26 -0.20 -0.07 0.00 0.22 0.00 0.00 39.33 40.54 2br2 h ASP 89 CO 0.70 0.90 -0.34 -1.61 -1.72 0.00 0.00 179.24 177.17 2br2 s GLU 90 N -4.90 3.77 0.10 3.56 2.02 -1.26 -5.04 118.70 116.95 2br2 s GLU 90 Ca -0.13 0.12 -0.31 0.00 0.02 0.00 0.00 54.97 54.68 2br2 s GLU 90 Cb 0.10 -3.24 -0.09 0.00 0.10 0.00 0.00 34.13 31.00 2br2 s GLU 90 CO 0.81 0.65 1.75 0.50 0.02 0.00 0.00 175.26 178.99 2br2 s ARG 91 N -0.80 4.16 0.17 1.61 3.52 -1.26 -4.92 118.95 121.43 2br2 s ARG 91 Ca 0.19 2.48 -0.29 0.00 -0.13 0.00 0.00 55.73 57.98 2br2 s ARG 91 Cb -0.14 -3.61 -0.07 0.00 -1.56 0.00 0.00 34.95 29.56 2br2 s ARG 91 CO 0.08 -0.80 0.90 0.15 -0.81 0.00 0.00 175.30 174.82 2br2 s LYS 92 N 2.74 4.72 0.12 5.12 1.02 -0.93 -5.03 119.74 127.49 2br2 s LYS 92 Ca 0.78 1.37 -0.31 0.00 0.02 0.00 0.00 55.97 57.83 2br2 s LYS 92 Cb -0.43 -3.32 -0.09 0.00 -0.52 0.00 0.00 37.83 33.47 2br2 s LYS 92 CO 0.35 0.41 1.62 1.21 -0.92 0.00 0.00 175.35 178.01 2br2 s ASN 93 N -0.68 6.59 0.56 2.83 3.84 -1.26 -4.30 114.94 122.51 2br2 s ASN 93 Ca 0.42 2.56 0.33 0.00 0.21 0.00 0.00 52.86 56.38 2br2 s ASN 93 Cb -0.24 -2.58 1.66 0.00 -0.55 0.00 0.00 41.25 39.54 2br2 s ASN 93 CO 0.29 -0.86 2.12 1.55 -2.79 0.00 0.00 177.10 177.41 2br2 h PRO 94 N 7.63 0.00 -6.84 0.43 0.13 -1.96 -3.44 132.00 127.95 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 32.44 2br2 h PRO 94 CO 0.92 0.06 0.72 0.00 -0.23 0.00 0.00 178.00 179.48 2br2 n ALA 95 N -2.19 2.08 -1.98 -0.56 0.00 -1.26 -4.89 120.51 111.70 2br2 n ALA 95 Ca -0.01 0.36 -0.41 0.00 0.00 0.00 0.00 53.44 53.37 2br2 n ALA 95 Cb 0.22 -2.38 -0.03 0.00 0.00 0.00 0.00 19.45 17.26 2br2 n ALA 95 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 2br2 s PRO 96 N -1.64 4.40 0.47 0.00 0.02 -1.26 -5.01 135.00 131.98 2br2 s PRO 96 Ca 0.57 2.05 -0.02 0.00 0.02 0.00 0.00 61.00 63.62 2br2 s PRO 96 Cb -0.51 -3.19 -0.01 0.00 0.02 0.00 0.00 34.50 30.81 2br2 s PRO 96 CO 0.60 -0.23 0.72 -1.54 -0.33 0.00 0.00 177.00 176.22 2br2 s SER 97 N 0.25 5.98 0.27 2.53 1.04 -1.26 -4.93 113.70 117.58 2br2 s SER 97 Ca 0.56 0.56 0.00 0.00 0.48 0.00 0.00 55.95 57.55 2br2 s SER 97 Cb -0.36 -1.84 0.52 0.00 0.10 0.00 0.00 66.02 64.44 2br2 s SER 97 CO 0.39 -0.67 1.83 0.03 0.98 0.00 0.00 173.24 175.80 2br2 h ARG 98 N 0.30 0.93 -0.48 4.02 3.08 -1.99 0.33 114.38 120.58 2br2 h ARG 98 Ca -0.47 -0.06 0.04 0.00 0.07 0.00 0.00 59.98 59.57 2br2 h ARG 98 Cb 1.24 -0.21 -0.04 0.00 0.08 0.00 0.00 29.97 31.03 2br2 h ARG 98 CO 0.60 0.61 0.24 -0.09 -1.07 0.00 0.00 179.97 180.26 2br2 h ARG 99 N 0.96 0.45 -0.50 0.04 2.43 -1.99 -0.44 114.38 115.33 2br2 h ARG 99 Ca 0.48 -0.03 -0.07 0.00 -0.81 0.00 0.00 59.98 59.55 2br2 h ARG 99 Cb 0.46 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.89 2br2 h ARG 99 CO -0.26 0.30 0.03 0.93 -1.51 0.00 0.00 179.97 179.45 2br2 h GLU 100 N 0.47 0.81 -0.08 0.20 5.08 -1.53 -1.27 114.58 118.26 2br2 h GLU 100 Ca 0.21 -0.21 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 2br2 h GLU 100 Cb 0.13 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.27 2br2 h GLU 100 CO -0.15 0.80 0.03 0.82 -1.00 0.00 0.00 179.01 179.50 2br2 h ILE 101 N 0.77 1.17 -0.16 3.13 2.04 -0.54 -0.56 117.51 123.35 2br2 h ILE 101 Ca 0.15 -0.53 -0.00 0.00 1.00 0.00 0.00 64.86 65.48 2br2 h ILE 101 Cb 0.42 1.37 -0.01 0.00 -0.74 0.00 0.00 36.82 37.87 2br2 h ILE 101 CO 0.02 0.15 0.09 -0.08 0.00 0.00 0.00 178.15 178.32 2br2 h GLU 102 N -0.06 0.23 -0.17 2.37 4.81 -0.97 -2.76 114.58 118.03 2br2 h GLU 102 Ca 0.03 -0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 59.17 2br2 h GLU 102 Cb 0.21 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.54 2br2 h GLU 102 CO -0.00 0.23 -0.16 -0.07 -0.73 0.00 0.00 179.01 178.28 2br2 h LEU 103 N 0.16 0.27 -0.53 1.64 3.38 -1.19 -0.45 115.31 118.58 2br2 h LEU 103 Ca 0.06 -0.06 0.01 0.00 0.09 0.00 0.00 57.88 57.97 2br2 h LEU 103 Cb 0.07 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 2br2 h LEU 103 CO -0.01 0.46 0.35 0.28 0.09 0.00 0.00 178.44 179.61 2br2 h SER 104 N 0.27 0.60 0.01 -0.43 0.02 -0.94 0.13 113.55 113.21 2br2 h SER 104 Ca 0.05 -0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 60.99 2br2 h SER 104 Cb 0.45 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.84 2br2 h SER 104 CO 0.03 0.43 -0.00 0.50 -1.14 0.00 0.00 176.83 176.65 2br2 h LYS 105 N 0.71 -0.01 -0.57 3.45 3.64 -1.06 0.09 116.57 122.82 2br2 h LYS 105 Ca 0.20 0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.61 2br2 h LYS 105 Cb -0.07 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 31.71 2br2 h LYS 105 CO -0.05 0.18 0.34 0.28 -2.27 0.00 0.00 179.45 177.93 2br2 h VAL 106 N -0.20 1.05 -0.44 2.00 2.07 -0.93 -0.36 116.25 119.43 2br2 h VAL 106 Ca -0.00 -0.23 -0.08 0.00 0.82 0.00 0.00 66.70 67.21 2br2 h VAL 106 Cb 0.20 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 30.28 2br2 h VAL 106 CO 0.00 0.12 -0.05 0.40 0.02 0.00 0.00 177.57 178.07 2br2 h ILE 107 N 0.67 1.27 -0.35 4.57 2.04 -0.90 -2.09 117.51 122.73 2br2 h ILE 107 Ca 0.23 -1.12 0.05 0.00 1.00 0.00 0.00 64.86 65.02 2br2 h ILE 107 Cb 0.04 1.10 -0.05 0.00 -0.74 0.00 0.00 36.82 37.18 2br2 h ILE 107 CO -0.11 0.38 0.06 -0.09 0.00 0.00 0.00 178.15 178.40 2br2 h ARG 108 N 0.65 0.17 -0.40 2.37 2.43 -0.42 -1.75 114.38 117.44 2br2 h ARG 108 Ca 0.12 -0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.22 2br2 h ARG 108 Cb 0.56 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.05 2br2 h ARG 108 CO 0.03 0.11 0.00 0.93 -1.51 0.00 0.00 179.97 179.54 2br2 h GLU 109 N 0.18 0.64 -0.50 0.20 5.08 -0.91 0.79 114.58 120.05 2br2 h GLU 109 Ca 0.16 -0.15 -0.00 0.00 -1.00 0.00 0.00 59.36 58.37 2br2 h GLU 109 Cb 0.19 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 2br2 h GLU 109 CO -0.22 0.66 0.31 0.00 -1.00 0.00 0.00 179.01 178.75 2br2 h ALA 110 N 1.40 0.64 -0.26 3.43 0.00 -0.95 -2.64 119.26 120.89 2br2 h ALA 110 Ca 0.12 -0.06 -0.13 0.00 0.00 0.00 0.00 54.91 54.84 2br2 h ALA 110 Cb 0.38 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2br2 h ALA 110 CO 0.01 0.12 -0.39 -0.07 0.00 0.00 0.00 179.25 178.93 2br2 h LEU 111 N 0.68 0.65 -1.97 0.00 3.38 -0.39 -2.90 115.31 114.76 2br2 h LEU 111 Ca 0.18 -0.29 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 2br2 h LEU 111 Cb -0.02 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.55 2br2 h LEU 111 CO -0.03 0.97 -0.09 -0.33 0.09 0.00 0.00 178.44 179.05 2br2 h GLU 112 N 0.51 0.00 0.00 1.13 5.08 -0.59 0.18 114.58 120.89 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 -1.13 -1.00 0.00 0.00 179.01 177.05 2br2 n SER 113 N -4.12 0.66 -0.10 1.42 3.41 -1.02 -4.03 113.62 109.85 2br2 n SER 113 Ca -0.03 0.57 -0.15 0.00 -0.26 0.00 0.00 58.87 59.01 2br2 n SER 113 Cb 0.17 -0.75 -0.09 0.00 -0.26 0.00 0.00 64.21 63.29 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 -1.74 1.60 -2.42 7.33 0.00 -0.24 -4.85 120.51 120.19 2br2 n ALA 114 Ca 0.05 -0.82 -0.42 0.00 0.00 0.00 0.00 53.44 52.25 2br2 n ALA 114 Cb 0.39 0.09 -0.03 0.00 0.00 0.00 0.00 19.45 19.90 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 -2.38 4.20 -1.32 0.00 1.01 0.48 -0.07 120.40 122.31 2br2 s VAL 115 Ca -0.27 1.63 -0.16 0.00 0.00 0.00 0.00 61.98 63.18 2br2 s VAL 115 Cb 0.08 -4.04 0.00 0.00 0.00 0.00 0.00 36.38 32.42 2br2 s VAL 115 CO 0.43 0.16 2.13 0.18 0.00 0.00 0.00 175.10 177.99 2br2 n LEU 116 N 3.63 6.14 0.29 3.92 4.77 -0.88 -4.75 117.00 130.12 2br2 n LEU 116 Ca 0.07 -3.88 0.16 0.00 -0.03 0.00 0.00 56.01 52.34 2br2 n LEU 116 Cb 0.47 -1.57 0.86 0.00 -2.33 0.00 0.00 43.42 40.86 2br2 n LEU 116 CO 0.54 0.71 1.05 -0.37 -1.33 0.00 0.00 177.39 177.99 2br2 h VAL 117 N 4.24 0.33 0.00 4.08 -1.51 -1.89 -2.48 116.25 119.01 2br2 h VAL 117 Ca 0.53 -0.35 -0.02 0.00 -1.23 0.00 0.00 66.70 65.63 2br2 h VAL 117 Cb 0.67 1.26 -0.00 0.00 -2.13 0.00 0.00 31.29 31.08 2br2 h VAL 117 CO 1.86 0.06 -0.09 -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 0.12 114.58 121.10 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 0.09 -0.04 -0.07 -1.40 0.00 0.00 179.01 177.60 2br2 h LEU 119 N 0.00 0.00 -6.00 1.33 4.07 -1.72 -3.37 115.31 109.63 2br2 h LEU 119 Ca -0.00 0.00 -0.57 0.00 0.08 0.00 0.00 57.88 57.38 2br2 h LEU 119 Cb 0.26 0.00 -0.41 0.00 1.08 0.00 0.00 40.66 41.59 2br2 h LEU 119 CO 0.01 0.04 -0.83 0.49 -1.08 0.00 0.00 178.44 177.08 2br2 n PHE 120 N -3.30 2.04 -1.79 1.13 3.01 -0.82 -5.04 117.46 112.69 2br2 n PHE 120 Ca -0.02 -3.91 -0.36 0.00 1.01 0.00 0.00 57.45 54.18 2br2 n PHE 120 Cb 0.20 -0.47 0.06 0.00 -0.01 0.00 0.00 39.48 39.26 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 -2.16 2.63 -0.66 -1.08 0.02 -1.26 -2.56 135.00 129.93 2br2 s PRO 121 Ca 0.39 1.92 0.00 0.00 0.02 0.00 0.00 61.00 63.33 2br2 s PRO 121 Cb 0.19 -1.87 0.00 0.00 0.02 0.00 0.00 34.50 32.84 2br2 s PRO 121 CO -0.07 -1.50 0.00 0.54 -0.33 0.00 0.00 177.00 175.65 2br2 n ARG 122 N -1.94 -1.26 -4.36 5.54 5.12 -0.28 -4.87 116.66 114.61 2br2 n ARG 122 Ca 0.15 0.63 -0.25 0.00 -1.93 0.00 0.00 57.85 56.45 2br2 n ARG 122 Cb 0.49 -4.72 -0.09 0.00 -1.16 0.00 0.00 32.46 26.98 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 -1.82 2.54 0.04 0.55 -4.23 -1.17 -3.13 115.64 108.43 2br2 s THR 123 Ca 0.00 -1.99 0.09 0.00 -1.18 0.00 0.00 61.69 58.61 2br2 s THR 123 Cb 0.00 -2.80 -0.03 0.00 1.34 0.00 0.00 72.50 71.01 2br2 s THR 123 CO 0.00 -0.18 -0.26 0.00 -0.54 0.00 0.00 174.62 173.64 2br2 s ALA 124 N -2.54 2.28 -0.24 3.99 0.00 0.54 -1.11 121.76 124.69 2br2 s ALA 124 Ca 0.35 -1.26 -0.01 0.00 0.00 0.00 0.00 51.96 51.03 2br2 s ALA 124 Cb 0.01 -0.50 0.02 0.00 0.00 0.00 0.00 23.12 22.65 2br2 s ALA 124 CO 0.19 0.54 -0.08 0.42 0.00 0.00 0.00 175.76 176.82 2br2 s ILE 125 N -0.81 2.76 -0.20 0.00 1.01 0.04 -2.18 121.20 121.82 2br2 s ILE 125 Ca 0.12 -0.99 -0.15 0.00 0.00 0.00 0.00 60.65 59.63 2br2 s ILE 125 Cb -0.10 -2.37 -0.04 0.00 0.01 0.00 0.00 42.46 39.96 2br2 s ILE 125 CO 0.02 0.26 0.34 -1.81 0.00 0.00 0.00 174.94 173.75 2br2 s ASP 126 N 1.32 6.38 -0.26 3.58 1.01 -1.04 -1.42 116.67 126.24 2br2 s ASP 126 Ca 0.01 0.44 0.02 0.00 0.71 0.00 0.00 52.55 53.73 2br2 s ASP 126 Cb -0.16 -2.20 0.06 0.00 1.01 0.00 0.00 42.92 41.62 2br2 s ASP 126 CO -0.06 -0.03 -0.10 -0.69 0.21 0.00 0.00 175.17 174.51 2br2 s VAL 127 N 1.16 2.31 -0.16 -1.27 1.01 0.77 -1.02 120.40 123.20 2br2 s VAL 127 Ca 0.17 -1.55 -0.04 0.00 0.00 0.00 0.00 61.98 60.55 2br2 s VAL 127 Cb -0.14 -2.33 -0.03 0.00 0.00 0.00 0.00 36.38 33.88 2br2 s VAL 127 CO 0.07 -0.01 -0.02 -0.36 0.00 0.00 0.00 175.10 174.78 2br2 s PHE 128 N 1.14 3.06 -0.05 5.22 0.40 0.03 -1.44 117.98 126.34 2br2 s PHE 128 Ca -0.07 -0.22 0.04 0.00 -0.60 0.00 0.00 56.93 56.07 2br2 s PHE 128 Cb -0.20 -1.97 -0.00 0.00 0.51 0.00 0.00 43.02 41.36 2br2 s PHE 128 CO -0.05 0.01 -0.18 0.99 0.70 0.00 0.00 175.22 176.69 2br2 s THR 129 N 0.32 1.53 -0.08 0.64 2.01 -0.21 -0.48 115.64 119.38 2br2 s THR 129 Ca -0.03 -0.76 0.00 0.00 0.31 0.00 0.00 61.69 61.22 2br2 s THR 129 Cb -0.14 -1.33 0.02 0.00 0.01 0.00 0.00 72.50 71.07 2br2 s THR 129 CO 0.02 0.44 -0.06 -1.61 -0.69 0.00 0.00 174.62 172.72 2br2 s GLU 130 N 0.14 1.19 -0.28 4.92 0.41 0.09 -2.45 118.70 122.73 2br2 s GLU 130 Ca -0.07 -0.17 -0.25 0.00 -0.41 0.00 0.00 54.97 54.07 2br2 s GLU 130 Cb -0.13 -1.23 0.00 0.00 -1.78 0.00 0.00 34.13 30.98 2br2 s GLU 130 CO 0.03 -0.17 0.85 0.42 -0.49 0.00 0.00 175.26 175.90 2br2 s ILE 131 N 1.36 4.77 -0.08 -1.63 1.09 0.76 -0.98 121.20 126.48 2br2 s ILE 131 Ca -0.03 1.43 0.09 0.00 -1.10 0.00 0.00 60.65 61.04 2br2 s ILE 131 Cb -0.14 -4.18 -0.24 0.00 -1.06 0.00 0.00 42.46 36.85 2br2 s ILE 131 CO -0.03 -0.21 0.50 0.18 -0.10 0.00 0.00 174.94 175.28 2br2 n LEU 132 N 6.22 1.21 -3.83 2.97 4.77 0.16 -1.86 117.00 126.64 2br2 n LEU 132 Ca 0.06 0.31 -0.12 0.00 -0.03 0.00 0.00 56.01 56.22 2br2 n LEU 132 Cb 0.48 -0.10 -0.13 0.00 -2.33 0.00 0.00 43.42 41.34 2br2 n LEU 132 CO 0.50 0.52 -0.25 -1.10 -1.33 0.00 0.00 177.39 175.73 2br2 s GLN 133 N -2.57 0.11 -0.13 3.23 -0.21 -1.14 -4.06 119.66 114.89 2br2 s GLN 133 Ca -0.10 0.16 -0.02 0.00 0.02 0.00 0.00 55.36 55.43 2br2 s GLN 133 Cb 0.07 0.03 -0.02 0.00 1.00 0.00 0.00 33.01 34.09 2br2 s GLN 133 CO 0.81 -0.03 -0.08 0.00 -2.12 0.00 0.00 175.29 173.86 2br2 s ALA 134 N 0.18 2.82 -0.32 6.09 0.00 0.84 -1.08 121.76 130.29 2br2 s ALA 134 Ca -0.01 -0.86 0.17 0.00 0.00 0.00 0.00 51.96 51.26 2br2 s ALA 134 Cb -0.02 -1.36 0.45 0.00 0.00 0.00 0.00 23.12 22.19 2br2 s ALA 134 CO -0.00 0.27 1.15 -3.47 0.00 0.00 0.00 175.76 173.70 2br2 n ASP 135 N 3.40 0.49 -0.67 0.00 2.03 -1.26 -4.78 116.55 115.76 2br2 n ASP 135 Ca -0.18 -2.41 0.00 0.00 0.52 0.00 0.00 54.79 52.72 2br2 n ASP 135 Cb 0.53 -0.08 0.00 0.00 -0.72 0.00 0.00 41.12 40.85 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 -0.50 -1.29 -0.80 -1.67 0.00 -1.26 -3.36 120.51 111.63 2br2 n ALA 136 Ca 0.03 0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.67 2br2 n ALA 136 Cb 0.83 -0.90 0.00 0.00 0.00 0.00 0.00 19.45 19.37 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 -1.66 0.59 0.24 0.00 0.00 -1.26 -4.75 105.19 98.34 2br2 n GLY 137 Ca 0.00 -0.09 0.00 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 0.20 -0.60 1.61 0.02 -1.95 -1.18 113.55 111.65 2br2 h SER 138 Ca 0.00 0.08 0.06 0.00 -0.84 0.00 0.00 61.79 61.09 2br2 h SER 138 Cb 0.00 0.07 -0.04 0.00 0.14 0.00 0.00 62.40 62.57 2br2 h SER 138 CO 0.00 0.12 0.40 0.08 -1.14 0.00 0.00 176.83 176.29 2br2 h ARG 139 N 0.39 0.59 0.13 3.45 0.11 -1.99 0.16 114.38 117.22 2br2 h ARG 139 Ca 0.31 -0.04 -0.25 0.00 0.10 0.00 0.00 59.98 60.11 2br2 h ARG 139 Cb 0.40 -0.13 0.03 0.00 1.11 0.00 0.00 29.97 31.37 2br2 h ARG 139 CO -0.32 0.39 -1.05 -0.07 0.10 0.00 0.00 179.97 179.02 2br2 h LEU 140 N 0.61 0.70 -0.40 0.08 3.38 -1.65 -1.29 115.31 116.75 2br2 h LEU 140 Ca 0.26 -0.87 0.00 0.00 0.09 0.00 0.00 57.88 57.36 2br2 h LEU 140 Cb 0.24 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 2br2 h LEU 140 CO -0.08 1.50 0.26 0.58 0.09 0.00 0.00 178.44 180.80 2br2 h VAL 141 N 0.00 1.10 -0.37 1.22 2.07 -0.84 0.17 116.25 119.61 2br2 h VAL 141 Ca -0.17 -0.19 0.05 0.00 0.82 0.00 0.00 66.70 67.22 2br2 h VAL 141 Cb 1.78 0.52 -0.04 0.00 -1.52 0.00 0.00 31.29 32.02 2br2 h VAL 141 CO 0.20 0.10 0.10 -1.28 0.02 0.00 0.00 177.57 176.71 2br2 h SER 142 N 0.54 0.07 -0.54 0.57 0.87 -0.76 0.62 113.55 114.93 2br2 h SER 142 Ca 0.15 0.05 -0.01 0.00 -1.23 0.00 0.00 61.79 60.74 2br2 h SER 142 Cb -0.06 0.05 -0.03 0.00 -0.44 0.00 0.00 62.40 61.93 2br2 h SER 142 CO -0.03 0.08 0.29 0.25 -0.53 0.00 0.00 176.83 176.89 2br2 h LEU 143 N 0.24 0.68 -0.32 2.23 5.85 -0.60 -0.54 115.31 122.84 2br2 h LEU 143 Ca 0.17 -0.10 -0.06 0.00 0.84 0.00 0.00 57.88 58.73 2br2 h LEU 143 Cb 0.18 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 2br2 h LEU 143 CO -0.20 0.58 -0.04 0.24 -0.34 0.00 0.00 178.44 178.68 2br2 h MET 144 N 0.72 0.60 -0.73 1.25 2.86 -0.48 0.07 114.93 119.22 2br2 h MET 144 Ca 0.19 -0.21 0.10 0.00 -2.06 0.00 0.00 59.70 57.72 2br2 h MET 144 Cb 0.06 -0.04 -0.08 0.00 0.06 0.00 0.00 31.60 31.60 2br2 h MET 144 CO -0.03 0.76 0.35 0.00 1.06 0.00 0.00 176.91 179.05 2br2 h ALA 145 N 0.82 1.01 0.05 6.32 0.00 -0.68 0.30 119.26 127.08 2br2 h ALA 145 Ca 0.09 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 2br2 h ALA 145 Cb 0.52 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2br2 h ALA 145 CO 0.03 -0.08 -0.02 0.00 0.00 0.00 0.00 179.25 179.18 2br2 h ALA 146 N 1.46 -0.06 -0.55 0.00 0.00 -0.73 -0.02 119.26 119.36 2br2 h ALA 146 Ca 0.37 -0.02 0.09 0.00 0.00 0.00 0.00 54.91 55.34 2br2 h ALA 146 Cb 0.43 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.18 2br2 h ALA 146 CO -0.30 -0.53 0.17 1.03 0.00 0.00 0.00 179.25 179.63 2br2 h SER 147 N -0.08 0.13 0.19 0.00 0.87 0.08 -0.02 113.55 114.72 2br2 h SER 147 Ca -0.01 0.08 -0.15 0.00 -1.23 0.00 0.00 61.79 60.48 2br2 h SER 147 Cb 0.07 0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.10 2br2 h SER 147 CO 0.01 0.09 -0.57 -0.07 -0.53 0.00 0.00 176.83 175.76 2br2 h LEU 148 N 0.33 0.44 -0.94 2.23 3.38 -0.79 -1.76 115.31 118.20 2br2 h LEU 148 Ca 0.28 -0.24 -0.06 0.00 0.09 0.00 0.00 57.88 57.95 2br2 h LEU 148 Cb 0.35 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 2br2 h LEU 148 CO -0.31 0.92 0.12 0.00 0.09 0.00 0.00 178.44 179.26 2br2 h ALA 149 N 1.09 1.13 -0.59 1.53 0.00 -0.07 0.29 119.26 122.64 2br2 h ALA 149 Ca 0.00 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.62 2br2 h ALA 149 Cb 1.09 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 2br2 h ALA 149 CO 0.10 0.58 0.13 -0.07 0.00 0.00 0.00 179.25 179.98 2br2 h LEU 150 N 0.85 0.91 -0.47 0.00 3.38 -0.74 0.30 115.31 119.53 2br2 h LEU 150 Ca 0.18 -0.24 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 2br2 h LEU 150 Cb 0.34 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 2br2 h LEU 150 CO 0.00 0.92 0.20 0.00 0.09 0.00 0.00 178.44 179.65 2br2 h ALA 151 N 1.02 0.61 -0.41 1.53 0.00 -0.92 -1.57 119.26 119.53 2br2 h ALA 151 Ca 0.18 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2br2 h ALA 151 Cb 0.38 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 2br2 h ALA 151 CO 0.01 0.20 0.27 0.22 0.00 0.00 0.00 179.25 179.95 2br2 h ASP 152 N 0.62 0.47 0.77 0.00 3.58 -0.05 -0.45 116.42 121.36 2br2 h ASP 152 Ca 0.16 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.60 2br2 h ASP 152 Cb 0.17 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 41.10 2br2 h ASP 152 CO -0.02 0.34 0.00 0.00 -2.88 0.00 0.00 179.24 176.69 2br2 n ALA 153 N -2.47 2.17 -1.65 -0.78 0.00 0.06 -4.72 120.51 113.11 2br2 n ALA 153 Ca 0.03 -0.09 -0.05 0.00 0.00 0.00 0.00 53.44 53.33 2br2 n ALA 153 Cb 0.06 -1.40 -0.01 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 1.02 0.44 3.65 0.00 0.00 -0.18 -4.90 105.19 105.22 2br2 n GLY 154 Ca 0.07 -0.76 -0.41 0.00 0.00 0.00 0.00 46.02 44.92 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 -2.21 4.88 0.25 -0.61 1.01 -0.63 -5.00 121.20 118.88 2br2 s ILE 155 Ca 0.00 1.53 -0.30 0.00 0.00 0.00 0.00 60.65 61.88 2br2 s ILE 155 Cb 0.00 -4.10 -0.11 0.00 0.01 0.00 0.00 42.46 38.27 2br2 s ILE 155 CO 0.00 -0.01 1.54 -2.84 0.00 0.00 0.00 174.94 173.63 2br2 s PRO 156 N 2.48 4.19 0.13 2.79 0.02 -1.26 -4.52 135.00 138.83 2br2 s PRO 156 Ca 0.35 2.44 0.01 0.00 0.02 0.00 0.00 61.00 63.82 2br2 s PRO 156 Cb -0.16 -3.08 -0.04 0.00 0.02 0.00 0.00 34.50 31.24 2br2 s PRO 156 CO 0.09 -0.56 -0.03 -1.64 -0.33 0.00 0.00 177.00 174.53 2br2 s MET 157 N -0.02 0.93 0.24 5.54 -1.94 -1.26 -2.07 119.30 120.72 2br2 s MET 157 Ca 0.64 -1.41 -0.05 0.00 -1.71 0.00 0.00 55.69 53.16 2br2 s MET 157 Cb -0.45 -0.19 0.25 0.00 2.01 0.00 0.00 34.83 36.46 2br2 s MET 157 CO 0.42 -0.08 1.76 0.00 -0.01 0.00 0.00 175.02 177.11 2br2 h ARG 158 N 2.86 0.96 -1.96 2.03 3.08 -0.82 -3.47 114.38 117.07 2br2 h ARG 158 Ca -0.36 -0.23 0.24 0.00 0.07 0.00 0.00 59.98 59.70 2br2 h ARG 158 Cb 1.18 -0.13 -0.10 0.00 0.08 0.00 0.00 29.97 31.00 2br2 h ARG 158 CO 0.64 0.88 0.63 0.34 -1.07 0.00 0.00 179.97 181.39 2br2 s ASP 159 N -6.55 -0.13 0.80 7.04 2.15 -1.26 -5.01 116.67 113.71 2br2 s ASP 159 Ca -0.11 -0.27 -0.11 0.00 0.43 0.00 0.00 52.55 52.49 2br2 s ASP 159 Cb 0.15 0.34 0.07 0.00 -0.30 0.00 0.00 42.92 43.18 2br2 s ASP 159 CO 0.83 -0.63 1.09 -0.76 -0.17 0.00 0.00 175.17 175.52 2br2 s LEU 160 N -2.92 2.65 -0.15 -1.34 1.43 -1.26 -4.93 118.68 112.16 2br2 s LEU 160 Ca 0.13 1.42 -0.01 0.00 -1.03 0.00 0.00 54.13 54.64 2br2 s LEU 160 Cb 0.01 -4.05 -0.01 0.00 0.03 0.00 0.00 46.19 42.17 2br2 s LEU 160 CO -0.01 -2.01 -0.12 -0.63 0.23 0.00 0.00 176.35 173.81 2br2 s ILE 161 N -3.08 3.05 0.01 -0.59 1.01 -1.26 -4.12 121.20 116.22 2br2 s ILE 161 Ca 0.61 -0.65 0.07 0.00 0.00 0.00 0.00 60.65 60.68 2br2 s ILE 161 Cb -0.15 -2.30 -0.02 0.00 0.01 0.00 0.00 42.46 40.00 2br2 s ILE 161 CO 0.55 0.51 -0.23 0.00 0.00 0.00 0.00 174.94 175.77 2br2 s ALA 162 N 0.60 1.92 0.03 9.38 0.00 -0.33 -4.64 121.76 128.71 2br2 s ALA 162 Ca -0.07 -1.04 -0.09 0.00 0.00 0.00 0.00 51.96 50.76 2br2 s ALA 162 Cb -0.15 -0.45 0.00 0.00 0.00 0.00 0.00 23.12 22.52 2br2 s ALA 162 CO 0.03 0.46 0.17 0.20 0.00 0.00 0.00 175.76 176.62 2br2 s GLY 163 N -0.80 0.05 0.01 0.00 0.00 -1.26 -0.71 107.32 104.61 2br2 s GLY 163 Ca 0.09 -0.26 -0.09 0.00 0.00 0.00 0.00 44.72 44.46 2br2 s GLY 163 CO 0.00 -0.43 0.17 -1.34 0.00 0.00 0.00 173.10 171.51 2br2 s VAL 164 N -2.27 0.09 -0.14 1.40 -7.23 -0.40 -4.89 120.40 106.96 2br2 s VAL 164 Ca -0.07 -0.76 -0.20 0.00 -1.81 0.00 0.00 61.98 59.13 2br2 s VAL 164 Cb -0.03 -0.63 -0.03 0.00 0.56 0.00 0.00 36.38 36.25 2br2 s VAL 164 CO -0.02 -0.42 0.59 0.00 -0.31 0.00 0.00 175.10 174.94 2br2 s ALA 165 N -1.83 3.46 0.26 1.32 0.00 -1.26 -1.06 121.76 122.65 2br2 s ALA 165 Ca -0.11 -0.14 0.09 0.00 0.00 0.00 0.00 51.96 51.79 2br2 s ALA 165 Cb -0.05 -2.85 -0.04 0.00 0.00 0.00 0.00 23.12 20.18 2br2 s ALA 165 CO -0.00 -0.24 0.08 0.54 0.00 0.00 0.00 175.76 176.14 2br2 s VAL 166 N 1.17 3.83 0.01 0.00 0.11 -0.42 0.04 120.40 125.15 2br2 s VAL 166 Ca 0.30 -1.70 -0.01 0.00 -2.93 0.00 0.00 61.98 57.64 2br2 s VAL 166 Cb -0.16 -3.07 0.00 0.00 -1.53 0.00 0.00 36.38 31.62 2br2 s VAL 166 CO 0.12 -0.36 0.04 0.61 -3.33 0.00 0.00 175.10 172.19 2br2 n GLY 167 N -1.02 1.41 2.89 6.54 0.00 -0.36 0.02 105.19 114.68 2br2 n GLY 167 Ca -0.07 -0.95 -0.24 0.00 0.00 0.00 0.00 46.02 44.76 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 1.19 0.00 1.61 2.20 -1.08 -0.75 119.74 120.91 2br2 s LYS 168 Ca 0.01 -0.17 0.00 0.00 -0.36 0.00 0.00 55.97 55.45 2br2 s LYS 168 Cb -0.00 -1.24 0.00 0.00 -1.51 0.00 0.00 37.83 35.08 2br2 s LYS 168 CO 0.00 -0.18 0.00 0.00 -0.36 0.00 0.00 175.35 174.82 2br2 n ALA 169 N 4.57 0.05 -2.95 3.13 0.00 0.59 -0.62 120.51 125.27 2br2 n ALA 169 Ca -0.16 -0.05 -0.26 0.00 0.00 0.00 0.00 53.44 52.96 2br2 n ALA 169 Cb 0.51 0.00 -0.04 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 -1.71 4.16 0.00 0.00 8.00 -1.26 -4.26 116.55 121.48 2br2 n ASP 170 Ca 0.00 -3.63 0.00 0.00 0.71 0.00 0.00 54.79 51.87 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 -0.21 2.67 3.77 0.44 0.00 -1.26 -4.96 105.19 105.64 2br2 n GLY 171 Ca 0.31 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.97 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 -3.14 5.41 -0.04 1.61 1.01 -1.26 -5.06 120.40 118.93 2br2 s VAL 172 Ca 0.00 0.26 -0.30 0.00 0.00 0.00 0.00 61.98 61.94 2br2 s VAL 172 Cb 0.00 -3.48 -0.03 0.00 0.00 0.00 0.00 36.38 32.87 2br2 s VAL 172 CO 0.00 0.48 1.06 -0.63 0.00 0.00 0.00 175.10 176.01 2br2 s ILE 173 N 0.02 4.61 0.15 2.22 1.01 -1.26 -0.30 121.20 127.65 2br2 s ILE 173 Ca 0.11 1.88 0.06 0.00 0.00 0.00 0.00 60.65 62.70 2br2 s ILE 173 Cb -0.12 -4.21 -0.04 0.00 0.01 0.00 0.00 42.46 38.10 2br2 s ILE 173 CO 0.01 0.07 -0.13 0.27 0.00 0.00 0.00 174.94 175.16 2br2 s ILE 174 N 1.56 1.37 -0.15 2.92 -4.36 0.07 -4.80 121.20 117.81 2br2 s ILE 174 Ca 0.52 -1.93 -0.01 0.00 -0.26 0.00 0.00 60.65 58.98 2br2 s ILE 174 Cb -0.22 -1.74 -0.02 0.00 1.25 0.00 0.00 42.46 41.74 2br2 s ILE 174 CO 0.24 -0.55 -0.10 -0.22 0.24 0.00 0.00 174.94 174.54 2br2 s LEU 175 N -2.85 2.83 -0.25 0.37 2.96 0.24 -1.22 118.68 120.76 2br2 s LEU 175 Ca 0.14 -0.30 -0.06 0.00 -0.22 0.00 0.00 54.13 53.69 2br2 s LEU 175 Cb -0.02 -1.66 0.01 0.00 0.50 0.00 0.00 46.19 45.02 2br2 s LEU 175 CO 0.03 0.14 0.21 -0.67 -1.32 0.00 0.00 176.35 174.74 2br2 n ASP 176 N 3.69 -6.08 -4.76 3.68 2.03 0.11 -4.64 116.55 110.57 2br2 n ASP 176 Ca -0.18 0.66 -0.39 0.00 0.52 0.00 0.00 54.79 55.40 2br2 n ASP 176 Cb 0.52 -3.98 -0.05 0.00 -0.72 0.00 0.00 41.12 36.89 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 -1.62 4.49 1.10 -2.67 1.43 -1.23 -4.77 118.68 115.41 2br2 s LEU 177 Ca 0.09 2.05 -0.12 0.00 -1.03 0.00 0.00 54.13 55.12 2br2 s LEU 177 Cb -0.02 -3.78 0.25 0.00 0.03 0.00 0.00 46.19 42.67 2br2 s LEU 177 CO 0.53 -0.08 1.05 0.59 0.23 0.00 0.00 176.35 178.67 2br2 n ASN 178 N 0.99 -1.13 -0.27 2.29 5.03 -1.26 -4.60 115.26 116.31 2br2 n ASN 178 Ca 0.00 0.01 -0.05 0.00 0.87 0.00 0.00 54.58 55.41 2br2 n ASN 178 Cb 0.47 -1.33 0.06 0.00 -1.02 0.00 0.00 39.78 37.97 2br2 n ASN 178 CO 0.00 0.00 0.00 -0.08 -1.83 0.00 0.00 177.26 175.35 2br2 h GLU 179 N -2.47 0.99 -0.58 3.52 4.81 -1.90 -0.16 114.58 118.79 2br2 h GLU 179 Ca -0.56 -0.06 0.01 0.00 -0.13 0.00 0.00 59.36 58.62 2br2 h GLU 179 Cb 1.31 -0.22 -0.03 0.00 0.63 0.00 0.00 28.75 30.44 2br2 h GLU 179 CO 0.47 0.66 0.38 1.15 -0.73 0.00 0.00 179.01 180.94 2br2 h THR 180 N 1.02 1.12 -0.32 0.32 2.02 -1.93 0.52 112.91 115.66 2br2 h THR 180 Ca 0.27 -0.26 -0.15 0.00 0.77 0.00 0.00 66.41 67.04 2br2 h THR 180 Cb -0.11 0.29 -0.01 0.00 -1.74 0.00 0.00 68.15 66.59 2br2 h THR 180 CO -0.06 0.14 -0.40 -0.33 0.37 0.00 0.00 175.52 175.24 2br2 h GLU 181 N 0.76 0.77 -0.24 6.66 5.08 -1.89 -1.64 114.58 124.08 2br2 h GLU 181 Ca 0.22 -0.40 0.03 0.00 -1.00 0.00 0.00 59.36 58.21 2br2 h GLU 181 Cb -0.05 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.19 2br2 h GLU 181 CO -0.07 1.03 0.06 0.22 -1.00 0.00 0.00 179.01 179.25 2br2 h ASP 182 N 0.63 0.03 -0.49 1.42 1.82 -0.69 0.36 116.42 119.50 2br2 h ASP 182 Ca 0.05 0.04 -0.12 0.00 -0.39 0.00 0.00 57.03 56.61 2br2 h ASP 182 Cb 0.96 0.04 -0.01 0.00 0.68 0.00 0.00 39.33 41.00 2br2 h ASP 182 CO 0.09 0.05 -0.15 -0.03 -1.61 0.00 0.00 179.24 177.58 2br2 h MET 183 N 0.15 0.97 0.00 0.28 4.05 -0.76 -3.35 114.93 116.27 2br2 h MET 183 Ca 0.11 -0.39 0.00 0.00 -0.28 0.00 0.00 59.70 59.14 2br2 h MET 183 Cb 0.10 -0.05 0.00 0.00 -0.80 0.00 0.00 31.60 30.86 2br2 h MET 183 CO -0.14 1.06 -0.48 0.91 0.23 0.00 0.00 176.91 178.49 2br2 n TRP 184 N -4.17 0.00 -1.07 1.39 7.02 -0.63 -5.04 117.44 114.94 2br2 n TRP 184 Ca 0.00 0.00 -0.29 0.00 -1.02 0.00 0.00 57.50 56.20 2br2 n TRP 184 Cb 0.42 -0.02 0.20 0.00 -2.42 0.00 0.00 31.31 29.49 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 -1.84 1.56 0.16 6.99 0.00 0.11 -4.98 107.32 109.31 2br2 s GLY 185 Ca 0.02 -0.47 0.16 0.00 0.00 0.00 0.00 44.72 44.43 2br2 s GLY 185 CO 0.30 0.22 1.10 0.83 0.00 0.00 0.00 173.10 175.55 2br2 h GLU 186 N -2.15 0.00 -2.92 2.90 3.07 -1.05 -3.48 114.58 110.95 2br2 h GLU 186 Ca -0.54 0.00 -0.10 0.00 -0.50 0.00 0.00 59.36 58.22 2br2 h GLU 186 Cb 1.33 0.00 -0.19 0.00 -0.84 0.00 0.00 28.75 29.05 2br2 h GLU 186 CO 0.53 0.38 -0.19 0.00 -1.40 0.00 0.00 179.01 178.34 2br2 s ALA 187 N -2.95 -0.94 -0.07 3.43 0.00 -1.20 -0.97 121.76 119.07 2br2 s ALA 187 Ca 0.00 0.42 -0.03 0.00 0.00 0.00 0.00 51.96 52.35 2br2 s ALA 187 Cb 0.08 0.13 0.04 0.00 0.00 0.00 0.00 23.12 23.37 2br2 s ALA 187 CO 0.78 -0.32 0.14 0.34 0.00 0.00 0.00 175.76 176.70 2br2 s ASP 188 N -1.48 0.73 -0.44 0.00 2.15 0.49 -2.62 116.67 115.51 2br2 s ASP 188 Ca -0.11 0.27 0.02 0.00 0.43 0.00 0.00 52.55 53.17 2br2 s ASP 188 Cb -0.03 0.18 0.15 0.00 -0.30 0.00 0.00 42.92 42.91 2br2 s ASP 188 CO 0.03 -0.23 0.29 -0.32 -0.17 0.00 0.00 175.17 174.77 2br2 s MET 189 N 2.14 1.10 0.19 4.34 -2.45 0.10 -0.67 119.30 124.05 2br2 s MET 189 Ca 0.02 -2.00 -0.31 0.00 -1.25 0.00 0.00 55.69 52.16 2br2 s MET 189 Cb -0.12 -1.91 -0.09 0.00 1.25 0.00 0.00 34.83 33.96 2br2 s MET 189 CO -0.05 -1.25 1.43 -1.25 1.05 0.00 0.00 175.02 174.94 2br2 s PRO 190 N 0.27 4.29 -0.03 4.11 0.04 -1.04 -1.30 135.00 141.35 2br2 s PRO 190 Ca 0.23 2.21 0.01 0.00 0.04 0.00 0.00 61.00 63.49 2br2 s PRO 190 Cb -0.14 -3.16 0.02 0.00 0.04 0.00 0.00 34.50 31.25 2br2 s PRO 190 CO -0.07 -0.42 -0.04 0.42 0.04 0.00 0.00 177.00 176.93 2br2 s ILE 191 N 0.46 0.44 -0.01 0.56 1.01 -0.23 -1.84 121.20 121.59 2br2 s ILE 191 Ca 0.62 -0.12 0.03 0.00 0.00 0.00 0.00 60.65 61.18 2br2 s ILE 191 Cb -0.40 -0.45 -0.01 0.00 0.01 0.00 0.00 42.46 41.61 2br2 s ILE 191 CO 0.37 0.18 -0.10 0.00 0.00 0.00 0.00 174.94 175.39 2br2 s ALA 192 N 0.62 0.89 0.19 9.38 0.00 -0.11 -1.28 121.76 131.45 2br2 s ALA 192 Ca -0.08 -0.43 0.03 0.00 0.00 0.00 0.00 51.96 51.48 2br2 s ALA 192 Cb -0.11 -0.25 -0.05 0.00 0.00 0.00 0.00 23.12 22.71 2br2 s ALA 192 CO -0.00 0.20 -0.03 -1.64 0.00 0.00 0.00 175.76 174.29 2br2 s MET 193 N -0.15 1.19 -0.84 0.00 1.00 0.11 -0.10 119.30 120.52 2br2 s MET 193 Ca 0.02 -1.57 -0.17 0.00 0.00 0.00 0.00 55.69 53.98 2br2 s MET 193 Cb -0.05 -0.50 0.16 0.00 0.00 0.00 0.00 34.83 34.43 2br2 s MET 193 CO -0.00 -0.06 0.92 -1.64 0.00 0.00 0.00 175.02 174.24 2br2 s MET 194 N -3.85 3.51 0.26 2.03 -1.94 0.07 -1.18 119.30 118.20 2br2 s MET 194 Ca 0.24 -1.96 -0.03 0.00 -1.71 0.00 0.00 55.69 52.23 2br2 s MET 194 Cb 0.05 -4.62 0.41 0.00 2.01 0.00 0.00 34.83 32.67 2br2 s MET 194 CO 0.05 -1.55 1.86 -1.35 -0.01 0.00 0.00 175.02 174.02 2br2 h PRO 195 N 8.49 1.02 0.00 2.03 0.11 -1.83 -1.07 132.00 140.74 2br2 h PRO 195 Ca 0.06 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 66.10 2br2 h PRO 195 Cb 1.04 -0.23 -0.00 0.00 0.11 0.00 0.00 31.00 31.92 2br2 h PRO 195 CO 0.97 0.67 -0.08 0.77 -0.21 0.00 0.00 178.00 180.12 2br2 h SER 196 N 1.05 0.00 0.02 -2.05 0.02 -1.94 -2.47 113.55 108.19 2br2 h SER 196 Ca 0.42 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.37 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 -0.20 0.08 -0.67 0.18 -1.14 0.00 0.00 176.83 175.09 2br2 n LEU 197 N -4.00 1.53 -3.43 5.07 4.77 -0.46 -4.97 117.00 115.51 2br2 n LEU 197 Ca -0.03 -0.60 -0.25 0.00 -0.03 0.00 0.00 56.01 55.10 2br2 n LEU 197 Cb 0.17 -0.02 0.03 0.00 -2.33 0.00 0.00 43.42 41.27 2br2 n LEU 197 CO 0.31 0.31 0.04 0.59 -1.33 0.00 0.00 177.39 177.32 2br2 n ASN 198 N -0.67 -5.09 -4.47 -1.43 5.03 -0.89 -4.98 115.26 102.76 2br2 n ASN 198 Ca 0.07 -0.48 -0.35 0.00 0.87 0.00 0.00 54.58 54.70 2br2 n ASN 198 Cb 0.41 -4.11 -0.12 0.00 -1.02 0.00 0.00 39.78 34.94 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 -6.11 3.66 -0.19 3.52 -1.52 -1.14 -5.00 119.66 112.88 2br2 s GLN 199 Ca 0.46 -0.50 -0.26 0.00 -1.95 0.00 0.00 55.36 53.12 2br2 s GLN 199 Cb -0.23 -3.12 -0.01 0.00 -0.22 0.00 0.00 33.01 29.44 2br2 s GLN 199 CO 0.57 0.03 0.88 0.08 -0.25 0.00 0.00 175.29 176.59 2br2 s VAL 200 N 0.98 4.83 -0.13 1.09 1.01 -1.26 -0.75 120.40 126.17 2br2 s VAL 200 Ca 0.02 1.71 -0.09 0.00 0.00 0.00 0.00 61.98 63.62 2br2 s VAL 200 Cb -0.14 -4.17 -0.25 0.00 0.00 0.00 0.00 36.38 31.81 2br2 s VAL 200 CO 0.02 -0.03 0.35 0.41 0.00 0.00 0.00 175.10 175.85 2br2 n THR 201 N 4.93 1.76 -3.98 3.92 -1.04 0.85 -4.95 114.28 115.76 2br2 n THR 201 Ca 0.06 -0.58 -0.15 0.00 -2.04 0.00 0.00 64.05 61.34 2br2 n THR 201 Cb 0.48 -1.77 -0.15 0.00 -1.82 0.00 0.00 70.33 67.07 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 -7.15 1.73 -0.24 -4.42 0.20 -0.95 -4.20 118.68 103.64 2br2 s LEU 202 Ca -0.23 -0.04 -0.04 0.00 0.69 0.00 0.00 54.13 54.51 2br2 s LEU 202 Cb 0.07 -0.16 0.13 0.00 -0.43 0.00 0.00 46.19 45.80 2br2 s LEU 202 CO 0.75 -0.01 0.44 0.12 -0.29 0.00 0.00 176.35 177.36 2br2 s PHE 203 N 0.30 -0.98 0.01 5.38 5.36 -1.26 -0.93 117.98 125.85 2br2 s PHE 203 Ca -0.03 1.25 -0.01 0.00 -0.96 0.00 0.00 56.93 57.18 2br2 s PHE 203 Cb -0.05 0.23 -0.01 0.00 -0.34 0.00 0.00 43.02 42.85 2br2 s PHE 203 CO -0.01 -0.68 -0.00 -0.65 -1.46 0.00 0.00 175.22 172.42 2br2 s GLN 204 N 2.64 0.25 -0.06 10.12 -0.21 -0.77 -5.05 119.66 126.59 2br2 s GLN 204 Ca 0.09 -0.44 0.00 0.00 0.02 0.00 0.00 55.36 55.04 2br2 s GLN 204 Cb -0.14 0.09 0.02 0.00 1.00 0.00 0.00 33.01 33.98 2br2 s GLN 204 CO -0.16 -0.04 -0.03 -1.17 -2.12 0.00 0.00 175.29 171.76 2br2 s LEU 205 N -1.09 1.10 0.06 2.90 2.96 -1.26 -2.49 118.68 120.86 2br2 s LEU 205 Ca -0.12 -0.13 0.08 0.00 -0.22 0.00 0.00 54.13 53.74 2br2 s LEU 205 Cb -0.07 -0.47 -0.03 0.00 0.50 0.00 0.00 46.19 46.11 2br2 s LEU 205 CO -0.01 -0.10 -0.19 0.54 -1.32 0.00 0.00 176.35 175.28 2br2 s ASN 206 N 1.27 3.76 0.00 3.68 2.20 0.15 -5.00 114.94 121.01 2br2 s ASN 206 Ca -0.05 -0.47 0.00 0.00 -0.94 0.00 0.00 52.86 51.39 2br2 s ASN 206 Cb -0.14 -0.56 0.00 0.00 -2.00 0.00 0.00 41.25 38.55 2br2 s ASN 206 CO -0.02 0.24 0.00 0.61 -2.94 0.00 0.00 177.10 174.99 2br2 n GLY 207 N 1.39 0.67 3.47 0.45 0.00 -1.26 -0.38 105.19 109.53 2br2 n GLY 207 Ca -0.16 -1.72 -0.10 0.00 0.00 0.00 0.00 46.02 44.04 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 -0.72 -0.01 1.61 0.15 -0.14 -4.95 113.70 105.65 2br2 s SER 208 Ca 0.00 1.21 -0.17 0.00 0.70 0.00 0.00 55.95 57.69 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 1.26 0.76 0.52 5.44 -1.94 -1.26 -4.39 119.30 119.69 2br2 s MET 209 Ca -0.08 -0.17 -0.17 0.00 -1.71 0.00 0.00 55.69 53.57 2br2 s MET 209 Cb -0.06 0.34 -0.07 0.00 2.01 0.00 0.00 34.83 37.05 2br2 s MET 209 CO -0.13 -0.22 1.00 0.95 -0.01 0.00 0.00 175.02 176.61 2br2 s THR 210 N -1.52 4.39 0.30 2.05 -4.23 -1.26 -4.84 115.64 110.53 2br2 s THR 210 Ca -0.12 1.16 0.06 0.00 -1.18 0.00 0.00 61.69 61.62 2br2 s THR 210 Cb -0.04 -3.65 0.30 0.00 1.34 0.00 0.00 72.50 70.44 2br2 s THR 210 CO 0.04 -0.64 1.76 -0.65 -0.54 0.00 0.00 174.62 174.59 2br2 h PRO 211 N 0.88 0.65 -0.19 3.99 0.11 -2.01 0.15 132.00 135.58 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 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 2br2 h PRO 211 CO 0.61 0.43 0.12 -0.44 -0.21 0.00 0.00 178.00 178.51 2br2 h ASP 212 N 0.67 0.23 -0.48 -2.05 3.32 -1.99 -0.61 116.42 115.51 2br2 h ASP 212 Ca 0.59 -0.04 0.01 0.00 0.02 0.00 0.00 57.03 57.60 2br2 h ASP 212 Cb 0.98 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 40.45 2br2 h ASP 212 CO -0.42 0.20 0.31 -0.33 -1.72 0.00 0.00 179.24 177.28 2br2 h GLU 213 N 0.23 0.62 -0.64 3.56 5.08 -1.62 -0.31 114.58 121.50 2br2 h GLU 213 Ca 0.07 -0.04 0.08 0.00 -1.00 0.00 0.00 59.36 58.47 2br2 h GLU 213 Cb 0.01 -0.14 -0.07 0.00 0.50 0.00 0.00 28.75 29.06 2br2 h GLU 213 CO -0.01 0.41 0.30 0.35 -1.00 0.00 0.00 179.01 179.06 2br2 h PHE 214 N 0.64 0.53 -0.38 4.33 3.57 -0.56 0.16 116.94 125.23 2br2 h PHE 214 Ca 0.18 0.03 -0.12 0.00 3.53 0.00 0.00 57.97 61.58 2br2 h PHE 214 Cb -0.07 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 38.52 2br2 h PHE 214 CO -0.04 0.19 -0.26 0.00 -2.23 0.00 0.00 178.31 175.97 2br2 h ARG 215 N 0.53 0.79 0.04 1.11 3.08 -0.57 -1.69 114.38 117.66 2br2 h ARG 215 Ca 0.31 -0.34 -0.00 0.00 0.07 0.00 0.00 59.98 60.03 2br2 h ARG 215 Cb 0.33 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.35 2br2 h ARG 215 CO -0.26 0.96 -0.02 1.96 -1.07 0.00 0.00 179.97 181.54 2br2 h GLN 216 N 0.68 -0.05 -0.62 0.04 4.20 -0.38 -2.40 115.11 116.59 2br2 h GLN 216 Ca 0.09 0.00 0.02 0.00 0.06 0.00 0.00 58.65 58.82 2br2 h GLN 216 Cb 0.78 0.01 -0.04 0.00 0.30 0.00 0.00 27.48 28.54 2br2 h GLN 216 CO 0.06 0.10 0.40 0.00 -0.67 0.00 0.00 178.83 178.72 2br2 h ALA 217 N 0.77 0.80 -0.39 3.87 0.00 -0.70 -1.70 119.26 121.90 2br2 h ALA 217 Ca -0.01 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 54.94 2br2 h ALA 217 Cb 0.17 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 17.69 2br2 h ALA 217 CO 0.01 0.17 0.06 0.35 0.00 0.00 0.00 179.25 179.84 2br2 h PHE 218 N 0.79 0.09 -0.76 0.00 3.57 -1.25 0.33 116.94 119.71 2br2 h PHE 218 Ca 0.24 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.81 2br2 h PHE 218 Cb -0.03 0.02 -0.05 0.00 2.79 0.00 0.00 35.95 38.67 2br2 h PHE 218 CO -0.04 -0.01 0.46 -0.44 -2.23 0.00 0.00 178.31 176.05 2br2 h ASP 219 N 0.18 0.73 -0.41 0.41 3.32 -0.87 -2.44 116.42 117.32 2br2 h ASP 219 Ca 0.19 0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.22 2br2 h ASP 219 Cb 0.24 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.63 2br2 h ASP 219 CO -0.26 0.48 0.12 0.25 -1.72 0.00 0.00 179.24 178.11 2br2 h LEU 220 N 0.86 0.61 -0.76 1.55 5.85 -0.51 -2.81 115.31 120.10 2br2 h LEU 220 Ca 0.32 -0.21 0.10 0.00 0.84 0.00 0.00 57.88 58.93 2br2 h LEU 220 Cb 0.12 -0.16 -0.07 0.00 0.37 0.00 0.00 40.66 40.91 2br2 h LEU 220 CO -0.15 0.66 0.40 0.00 -0.34 0.00 0.00 178.44 179.01 2br2 h ALA 221 N 0.97 1.06 -0.72 1.25 0.00 -0.69 -1.95 119.26 119.18 2br2 h ALA 221 Ca 0.13 0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.12 2br2 h ALA 221 Cb 0.27 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 2br2 h ALA 221 CO -0.00 -0.01 0.46 0.28 0.00 0.00 0.00 179.25 179.98 2br2 h VAL 222 N 0.66 1.12 -0.59 0.00 2.07 -1.19 0.19 116.25 118.50 2br2 h VAL 222 Ca 0.37 -0.31 -0.04 0.00 0.82 0.00 0.00 66.70 67.54 2br2 h VAL 222 Cb 0.39 0.13 -0.03 0.00 -1.52 0.00 0.00 31.29 30.27 2br2 h VAL 222 CO -0.27 0.17 0.20 0.11 0.02 0.00 0.00 177.57 177.79 2br2 h LYS 223 N 0.91 0.91 0.26 1.57 1.57 -1.22 -1.23 116.57 119.33 2br2 h LYS 223 Ca 0.29 -0.19 -0.01 0.00 -1.87 0.00 0.00 60.65 58.86 2br2 h LYS 223 Cb -0.01 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.17 2br2 h LYS 223 CO -0.10 0.81 -0.12 0.78 -0.57 0.00 0.00 179.45 180.25 2br2 h GLY 224 N 0.84 -0.36 0.21 3.86 0.00 -0.89 -2.92 103.07 103.81 2br2 h GLY 224 Ca 0.19 0.13 0.15 0.00 0.00 0.00 0.00 47.33 47.80 2br2 h GLY 224 CO -0.01 -0.13 0.42 -2.22 0.00 0.00 0.00 176.54 174.60 2br2 h ILE 225 N -0.41 0.72 -0.33 2.60 2.04 -0.43 -1.68 117.51 120.02 2br2 h ILE 225 Ca -0.04 -0.21 -0.05 0.00 1.00 0.00 0.00 64.86 65.57 2br2 h ILE 225 Cb 0.31 0.07 -0.02 0.00 -0.74 0.00 0.00 36.82 36.44 2br2 h ILE 225 CO 0.06 0.11 0.00 0.78 0.00 0.00 0.00 178.15 179.10 2br2 h ASN 226 N 0.60 0.47 -0.17 1.72 2.35 -1.12 0.18 115.58 119.61 2br2 h ASN 226 Ca 0.46 -0.08 -0.09 0.00 -0.55 0.00 0.00 56.30 56.04 2br2 h ASN 226 Cb 0.66 -0.12 -0.00 0.00 0.05 0.00 0.00 38.32 38.90 2br2 h ASN 226 CO -0.37 0.54 -0.23 0.40 -1.65 0.00 0.00 177.43 176.12 2br2 h ILE 227 N 0.48 1.35 -0.79 2.81 2.04 -1.15 -2.82 117.51 119.43 2br2 h ILE 227 Ca 0.11 -1.43 0.03 0.00 1.00 0.00 0.00 64.86 64.56 2br2 h ILE 227 Cb 0.31 1.87 -0.05 0.00 -0.74 0.00 0.00 36.82 38.22 2br2 h ILE 227 CO 0.01 0.43 0.51 0.40 0.00 0.00 0.00 178.15 179.50 2br2 h ILE 228 N 0.10 1.13 -0.46 -0.67 2.04 -1.03 -2.92 117.51 115.71 2br2 h ILE 228 Ca 0.02 -0.34 0.03 0.00 1.00 0.00 0.00 64.86 65.57 2br2 h ILE 228 Cb 0.79 0.05 -0.04 0.00 -0.74 0.00 0.00 36.82 36.88 2br2 h ILE 228 CO 0.05 0.18 0.24 0.22 0.00 0.00 0.00 178.15 178.85 2br2 h TYR 229 N 1.00 0.45 -0.14 1.37 3.20 -0.61 -0.56 116.97 121.68 2br2 h TYR 229 Ca 0.31 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.20 2br2 h TYR 229 Cb -0.01 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.12 2br2 h TYR 229 CO -0.03 0.24 0.06 -0.91 -1.64 0.00 0.00 178.16 175.88 2br2 h ASN 230 N 0.48 0.16 -0.03 -2.11 2.35 -1.32 -0.60 115.58 114.52 2br2 h ASN 230 Ca 0.19 -0.01 -0.19 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 38.41 2br2 h ASN 230 CO -0.12 0.15 -0.68 -0.07 -1.65 0.00 0.00 177.43 175.06 2br2 h LEU 231 N 0.19 0.76 -0.35 1.61 3.38 -1.10 -2.33 115.31 117.47 2br2 h LEU 231 Ca 0.05 -0.47 -0.02 0.00 0.09 0.00 0.00 57.88 57.54 2br2 h LEU 231 Cb 0.03 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 2br2 h LEU 231 CO -0.01 1.23 0.16 -0.33 0.09 0.00 0.00 178.44 179.59 2br2 h GLU 232 N 0.47 0.51 -0.81 1.13 5.08 -0.31 0.16 114.58 120.81 2br2 h GLU 232 Ca -0.02 -0.08 0.07 0.00 -1.00 0.00 0.00 59.36 58.33 2br2 h GLU 232 Cb 1.28 -0.09 -0.06 0.00 0.50 0.00 0.00 28.75 30.37 2br2 h GLU 232 CO 0.13 0.47 0.48 0.00 -1.00 0.00 0.00 179.01 179.10 2br2 h ARG 233 N 0.42 0.82 -0.14 2.33 3.08 -1.12 -1.59 114.38 118.18 2br2 h ARG 233 Ca 0.12 -0.05 -0.17 0.00 0.07 0.00 0.00 59.98 59.95 2br2 h ARG 233 Cb 0.14 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.00 2br2 h ARG 233 CO -0.01 0.54 -0.61 1.49 -1.07 0.00 0.00 179.97 180.31 2br2 h GLU 234 N 0.85 0.49 0.00 0.04 4.57 -1.04 -2.84 114.58 116.65 2br2 h GLU 234 Ca 0.37 -0.34 -0.05 0.00 -1.18 0.00 0.00 59.36 58.16 2br2 h GLU 234 Cb 0.25 0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.88 2br2 h GLU 234 CO -0.20 0.95 -0.25 0.00 -1.18 0.00 0.00 179.01 178.33 2br2 h ALA 235 N 0.97 1.44 -0.54 2.92 0.00 -0.11 -1.43 119.26 122.52 2br2 h ALA 235 Ca -0.01 -0.22 -0.11 0.00 0.00 0.00 0.00 54.91 54.57 2br2 h ALA 235 Cb 1.16 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 2br2 h ALA 235 CO 0.11 0.31 -0.11 1.25 0.00 0.00 0.00 179.25 180.80 2br2 h LEU 236 N 0.00 1.02 0.02 0.00 5.85 -1.06 0.10 115.31 121.24 2br2 h LEU 236 Ca -0.00 -0.34 -0.00 0.00 0.84 0.00 0.00 57.88 58.38 2br2 h LEU 236 Cb 0.48 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 41.23 2br2 h LEU 236 CO 0.03 1.13 -0.01 0.11 -0.34 0.00 0.00 178.44 179.37 2br2 h LYS 237 N 0.91 -0.02 -0.00 1.25 1.57 -1.43 -3.38 116.57 115.45 2br2 h LYS 237 Ca 0.14 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 2br2 h LYS 237 Cb 0.68 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.99 2br2 h LYS 237 CO 0.05 0.72 -0.60 -1.13 -0.57 0.00 0.00 179.45 177.93 2br2 n SER 238 N -4.69 0.90 0.00 0.86 3.41 -0.57 -4.96 113.62 108.58 2br2 n SER 238 Ca -0.08 -0.71 0.00 0.00 -0.26 0.00 0.00 58.87 57.82 2br2 n SER 238 Cb 0.36 0.47 0.00 0.00 -0.26 0.00 0.00 64.21 64.78 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 -1.19 0.00 -3.71 4.33 4.01 0.35 -4.92 118.16 117.04 2br2 n LYS 239 Ca 0.07 0.00 -0.13 0.00 -0.51 0.00 0.00 58.31 57.74 2br2 n LYS 239 Cb 0.35 -2.26 -0.13 0.00 -0.51 0.00 0.00 35.03 32.48 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 -1.85 -0.37 -0.02 2.13 5.04 -1.26 -1.07 117.35 119.95 2br2 s TYR 240 Ca 0.00 0.87 -0.00 0.00 -2.44 0.00 0.00 57.07 55.50 2br2 s TYR 240 Cb 0.00 0.03 0.03 0.00 0.35 0.00 0.00 41.96 42.37 2br2 s TYR 240 CO 0.00 -0.28 0.03 0.08 -1.34 0.00 0.00 175.55 174.05 2br2 s VAL 241 N 1.64 -0.06 -0.02 3.14 1.01 0.26 -4.84 120.40 121.52 2br2 s VAL 241 Ca -0.06 0.24 0.08 0.00 0.00 0.00 0.00 61.98 62.23 2br2 s VAL 241 Cb -0.11 -0.09 -0.02 0.00 0.00 0.00 0.00 36.38 36.16 2br2 s VAL 241 CO -0.09 0.10 -0.24 -1.61 0.00 0.00 0.00 175.10 173.26 2br2 s GLU 242 N 1.18 2.13 -0.13 2.72 2.02 -1.26 -0.81 118.70 124.55 2br2 s GLU 242 Ca -0.08 -0.92 -0.04 0.00 0.02 0.00 0.00 54.97 53.96 2br2 s GLU 242 Cb -0.13 -2.08 0.06 0.00 0.10 0.00 0.00 34.13 32.08 2br2 s GLU 242 CO -0.03 0.56 0.18 0.12 0.02 0.00 0.00 175.26 176.11 2br2 s PHE 243 N -0.65 -0.18 0.44 1.61 5.36 0.13 -5.00 117.98 119.68 2br2 s PHE 243 Ca 0.10 0.42 -0.22 0.00 -0.96 0.00 0.00 56.93 56.27 2br2 s PHE 243 Cb -0.10 -0.32 -0.09 0.00 -0.34 0.00 0.00 43.02 42.16 2br2 s PHE 243 CO -0.00 -0.40 1.02 -1.59 -1.46 0.00 0.00 175.22 172.79 2br2 s LYS 244 N 2.29 4.03 0.17 10.12 -2.85 -1.26 -0.89 119.74 131.34 2br2 s LYS 244 Ca 0.04 1.38 -0.31 0.00 -1.00 0.00 0.00 55.97 56.08 2br2 s LYS 244 Cb -0.14 -2.29 -0.17 0.00 -2.06 0.00 0.00 37.83 33.17 2br2 s LYS 244 CO -0.08 -0.24 0.75 0.39 0.10 0.00 0.00 175.35 176.27 2br2 n GLU 245 N -0.54 0.27 -3.60 1.78 1.02 -1.26 -4.84 120.64 113.47 2br2 n GLU 245 Ca 0.07 0.10 -0.05 0.00 -0.02 0.00 0.00 57.16 57.25 2br2 n GLU 245 Cb 0.52 -1.29 -0.02 0.00 -0.02 0.00 0.00 31.44 30.63 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 -0.79 0.80 0.30 3.49 -1.05 -1.23 -5.01 118.70 115.21 2br2 s GLU 246 Ca 0.70 -0.36 -0.30 0.00 -0.15 0.00 0.00 54.97 54.86 2br2 s GLU 246 Cb -0.96 0.32 -0.11 0.00 -0.44 0.00 0.00 34.13 32.94 2br2 s GLU 246 CO 0.56 -0.36 1.52 0.20 0.95 0.00 0.00 175.26 178.13 2br2 s GLY 247 N -2.62 2.38 0.00 -3.83 0.00 -1.26 -2.80 107.32 99.19 2br2 s GLY 247 Ca 0.09 1.50 0.19 0.00 0.00 0.00 0.00 44.72 46.49 2br2 s GLY 247 CO -0.05 2.39 1.51 -0.62 0.00 0.00 0.00 173.10 176.33