#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2br2 s LEU 5 N 0.00 4.49 0.05 3.17 2.96 -1.26 -5.07 118.68 123.02 2br2 s LEU 5 Ca 0.00 2.39 0.07 0.00 -0.22 0.00 0.00 54.13 56.37 2br2 s LEU 5 Cb 0.00 -3.66 -0.03 0.00 0.50 0.00 0.00 46.19 42.99 2br2 s LEU 5 CO 0.00 -0.29 -0.19 -1.58 -1.32 0.00 0.00 176.35 172.98 2br2 s GLN 6 N -1.61 2.03 1.08 1.98 0.74 -1.26 -5.12 119.66 117.50 2br2 s GLN 6 Ca 0.47 -1.00 -0.15 0.00 0.05 0.00 0.00 55.36 54.72 2br2 s GLN 6 Cb -0.34 -2.17 0.13 0.00 1.10 0.00 0.00 33.01 31.73 2br2 s GLN 6 CO 0.44 0.53 0.37 1.55 -0.55 0.00 0.00 175.29 177.64 2br2 n VAL 7 N 1.50 0.00 0.00 1.34 3.14 -1.26 -4.89 118.33 118.16 2br2 n VAL 7 Ca -0.16 -0.28 0.00 0.00 -2.96 0.00 0.00 64.34 60.94 2br2 n VAL 7 Cb 0.52 -0.71 0.00 0.00 -1.06 0.00 0.00 33.84 32.59 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 -2.69 0.00 0.00 1.45 -0.00 -1.26 -4.89 120.64 113.26 2br2 n GLU 8 Ca 0.03 0.34 0.00 0.00 -0.00 0.00 0.00 57.16 57.53 2br2 n GLU 8 Cb 0.58 -0.57 0.00 0.00 -0.00 0.00 0.00 31.44 31.45 2br2 n GLU 8 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.13 175.00 2br2 n ARG 9 N -1.50 0.00 -2.34 3.44 0.63 -1.26 -5.16 116.66 110.47 2br2 n ARG 9 Ca 0.00 0.00 -0.36 0.00 -0.92 0.00 0.00 57.85 56.57 2br2 n ARG 9 Cb 0.00 0.00 -0.01 0.00 0.45 0.00 0.00 32.46 32.90 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 -1.04 3.72 0.35 -0.14 0.04 -1.26 -5.00 135.00 131.66 2br2 s PRO 10 Ca 0.00 1.63 -0.28 0.00 0.04 0.00 0.00 61.00 62.39 2br2 s PRO 10 Cb 0.00 -2.28 -0.10 0.00 0.04 0.00 0.00 34.50 32.16 2br2 s PRO 10 CO 0.00 -0.55 1.29 0.15 0.04 0.00 0.00 177.00 177.93 2br2 s LYS 11 N -2.89 4.27 -0.01 4.56 -0.14 -1.26 -4.95 119.74 119.32 2br2 s LYS 11 Ca 0.66 2.16 0.13 0.00 -1.36 0.00 0.00 55.97 57.56 2br2 s LYS 11 Cb -0.25 -2.99 -0.19 0.00 -1.68 0.00 0.00 37.83 32.72 2br2 s LYS 11 CO 0.29 -0.24 0.35 1.28 -0.76 0.00 0.00 175.35 176.27 2br2 n LEU 12 N 0.64 0.13 -4.14 3.17 4.77 -1.26 -4.84 117.00 115.46 2br2 n LEU 12 Ca 0.01 -0.10 -0.33 0.00 -0.03 0.00 0.00 56.01 55.55 2br2 n LEU 12 Cb 0.43 0.00 -0.16 0.00 -2.33 0.00 0.00 43.42 41.36 2br2 n LEU 12 CO 0.58 0.03 -0.51 -0.63 -1.33 0.00 0.00 177.39 175.53 2br2 s ILE 13 N -2.78 2.22 0.00 -0.08 -1.09 -1.26 -3.96 121.20 114.25 2br2 s ILE 13 Ca -0.03 -0.89 0.00 0.00 -2.23 0.00 0.00 60.65 57.50 2br2 s ILE 13 Cb 0.09 -1.94 0.00 0.00 -1.58 0.00 0.00 42.46 39.03 2br2 s ILE 13 CO 0.55 0.53 0.00 0.18 -1.23 0.00 0.00 174.94 174.97 2br2 n LEU 14 N 4.62 0.00 -4.77 2.97 4.77 0.38 -4.95 117.00 120.02 2br2 n LEU 14 Ca -0.21 0.00 -0.40 0.00 -0.03 0.00 0.00 56.01 55.37 2br2 n LEU 14 Cb 0.50 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 1.05 -0.62 -1.33 0.00 0.00 177.39 176.76 2br2 s ASP 15 N 0.51 6.05 0.40 -1.43 2.15 -1.26 -4.14 116.67 118.94 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 -1.06 0.00 0.47 -0.17 0.00 0.00 175.17 174.41 2br2 n ASP 16 N -0.02 -3.74 0.00 -0.34 8.00 -1.26 -2.66 116.55 116.54 2br2 n ASP 16 Ca 0.04 0.31 0.00 0.00 0.71 0.00 0.00 54.79 55.85 2br2 n ASP 16 Cb 0.42 -0.96 0.00 0.00 -0.02 0.00 0.00 41.12 40.56 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 -0.93 -0.26 3.90 0.44 0.00 -1.26 -4.89 105.19 102.19 2br2 n GLY 17 Ca 0.00 -0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 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 3.62 0.60 1.61 1.02 -1.09 -4.43 119.74 119.08 2br2 s LYS 18 Ca 0.00 0.19 0.00 0.00 0.02 0.00 0.00 55.97 56.18 2br2 s LYS 18 Cb 0.00 -2.46 0.12 0.00 -0.52 0.00 0.00 37.83 34.97 2br2 s LYS 18 CO 0.00 -0.04 0.82 0.54 -0.92 0.00 0.00 175.35 175.75 2br2 n ARG 19 N -1.67 0.03 0.25 1.68 1.74 0.13 0.14 116.66 118.96 2br2 n ARG 19 Ca 0.00 -2.25 0.10 0.00 -0.77 0.00 0.00 57.85 54.93 2br2 n ARG 19 Cb 0.55 -0.54 0.66 0.00 -1.02 0.00 0.00 32.46 32.11 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 -0.55 0.74 -0.46 0.55 1.35 -1.88 -0.43 112.91 112.23 2br2 h THR 20 Ca -0.27 -0.57 0.00 0.00 -0.55 0.00 0.00 66.41 65.02 2br2 h THR 20 Cb 1.01 1.34 0.00 0.00 -1.73 0.00 0.00 68.15 68.77 2br2 h THR 20 CO 0.29 0.14 0.00 -0.90 -0.25 0.00 0.00 175.52 174.80 2br2 n ASP 21 N -3.84 3.23 0.00 5.36 3.85 -1.26 -4.94 116.55 118.94 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 0.24 -0.30 0.00 0.00 -1.35 0.00 0.00 41.12 39.71 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 1.47 0.76 3.80 6.12 0.00 -0.17 -5.05 105.19 112.12 2br2 n GLY 22 Ca 0.20 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.68 3.97 0.60 1.61 0.52 -1.26 -4.58 118.95 119.13 2br2 s ARG 23 Ca 0.00 1.28 -0.13 0.00 -0.52 0.00 0.00 55.73 56.36 2br2 s ARG 23 Cb 0.00 -2.14 -0.04 0.00 0.52 0.00 0.00 34.95 33.29 2br2 s ARG 23 CO 0.00 -0.28 1.03 0.15 0.02 0.00 0.00 175.30 176.22 2br2 s LYS 24 N -3.18 3.49 0.52 3.54 1.02 -1.26 0.17 119.74 124.04 2br2 s LYS 24 Ca 0.65 0.94 0.30 0.00 0.02 0.00 0.00 55.97 57.88 2br2 s LYS 24 Cb -0.14 -2.07 1.44 0.00 -0.52 0.00 0.00 37.83 36.54 2br2 s LYS 24 CO 0.18 -0.65 1.87 -1.35 -0.92 0.00 0.00 175.35 174.48 2br2 h PRO 25 N 0.07 0.05 -0.73 -1.68 0.11 -1.89 -1.91 132.00 126.02 2br2 h PRO 25 Ca -0.45 -0.00 -0.27 0.00 0.11 0.00 0.00 66.00 65.38 2br2 h PRO 25 Cb 1.20 -0.01 -0.16 0.00 0.11 0.00 0.00 31.00 32.13 2br2 h PRO 25 CO 0.60 0.03 0.31 -0.40 -0.21 0.00 0.00 178.00 178.33 2br2 n ASP 26 N -4.30 4.26 -4.47 -2.05 5.75 -1.26 -0.57 116.55 113.91 2br2 n ASP 26 Ca 0.19 -3.37 -0.33 0.00 -0.01 0.00 0.00 54.79 51.27 2br2 n ASP 26 Cb 0.96 -0.74 -0.13 0.00 -1.03 0.00 0.00 41.12 40.18 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 -3.09 3.41 0.49 0.11 2.02 -0.72 -0.75 118.70 120.17 2br2 s GLU 27 Ca 0.54 -0.58 -0.19 0.00 0.02 0.00 0.00 54.97 54.76 2br2 s GLU 27 Cb 0.44 -2.76 -0.09 0.00 0.10 0.00 0.00 34.13 31.82 2br2 s GLU 27 CO 0.11 0.31 0.99 -0.51 0.02 0.00 0.00 175.26 176.18 2br2 s LEU 28 N 0.14 3.76 1.04 1.80 1.43 -1.13 -4.75 118.68 120.97 2br2 s LEU 28 Ca -0.03 1.69 -0.13 0.00 -1.03 0.00 0.00 54.13 54.63 2br2 s LEU 28 Cb -0.14 -4.53 0.21 0.00 0.03 0.00 0.00 46.19 41.76 2br2 s LEU 28 CO 0.04 -0.60 1.09 -0.13 0.23 0.00 0.00 176.35 176.98 2br2 s ARG 29 N -3.63 0.06 0.52 1.70 0.52 -1.26 -3.56 118.95 113.31 2br2 s ARG 29 Ca 0.62 0.45 -0.21 0.00 -0.52 0.00 0.00 55.73 56.07 2br2 s ARG 29 Cb -0.11 -1.70 -0.06 0.00 0.52 0.00 0.00 34.95 33.60 2br2 s ARG 29 CO 0.24 -2.96 1.19 -1.54 0.02 0.00 0.00 175.30 172.24 2br2 s SER 30 N -3.43 5.70 -0.04 0.23 1.04 -1.26 -4.55 113.70 111.39 2br2 s SER 30 Ca 0.66 2.36 0.07 0.00 0.48 0.00 0.00 55.95 59.52 2br2 s SER 30 Cb -0.18 -2.60 -0.01 0.00 0.10 0.00 0.00 66.02 63.32 2br2 s SER 30 CO 0.58 -1.24 -0.25 -0.63 0.98 0.00 0.00 173.24 172.68 2br2 s ILE 31 N -1.58 1.98 -0.03 -1.02 1.01 0.11 -0.21 121.20 121.46 2br2 s ILE 31 Ca 0.70 -1.05 0.01 0.00 0.00 0.00 0.00 60.65 60.31 2br2 s ILE 31 Cb -0.30 -1.66 0.02 0.00 0.01 0.00 0.00 42.46 40.54 2br2 s ILE 31 CO 0.34 0.56 -0.03 -0.75 0.00 0.00 0.00 174.94 175.06 2br2 s LYS 32 N -0.37 0.58 -0.04 2.79 2.20 -0.34 -0.65 119.74 123.92 2br2 s LYS 32 Ca 0.03 -0.04 0.01 0.00 -0.36 0.00 0.00 55.97 55.62 2br2 s LYS 32 Cb -0.12 -0.65 0.02 0.00 -1.51 0.00 0.00 37.83 35.57 2br2 s LYS 32 CO 0.01 -0.08 -0.05 0.42 -0.36 0.00 0.00 175.35 175.28 2br2 s ILE 33 N 0.86 0.58 0.02 5.43 1.01 0.01 0.04 121.20 129.16 2br2 s ILE 33 Ca -0.10 -0.17 0.01 0.00 0.00 0.00 0.00 60.65 60.39 2br2 s ILE 33 Cb -0.13 -0.59 -0.02 0.00 0.01 0.00 0.00 42.46 41.73 2br2 s ILE 33 CO -0.01 0.23 -0.04 -1.83 0.00 0.00 0.00 174.94 173.29 2br2 s GLU 34 N 0.78 0.36 0.19 2.79 -1.05 -0.40 -0.66 118.70 120.72 2br2 s GLU 34 Ca -0.11 -0.61 0.09 0.00 -0.15 0.00 0.00 54.97 54.20 2br2 s GLU 34 Cb -0.14 -0.04 -0.04 0.00 -0.44 0.00 0.00 34.13 33.47 2br2 s GLU 34 CO 0.01 -0.01 -0.10 -0.51 0.95 0.00 0.00 175.26 175.59 2br2 s LEU 35 N -1.36 2.94 -0.98 1.83 1.02 -0.29 -0.43 118.68 121.41 2br2 s LEU 35 Ca -0.13 -0.62 -0.06 0.00 0.02 0.00 0.00 54.13 53.35 2br2 s LEU 35 Cb -0.09 -1.61 0.01 0.00 0.02 0.00 0.00 46.19 44.52 2br2 s LEU 35 CO -0.00 0.09 0.75 0.61 0.02 0.00 0.00 176.35 177.82 2br2 n GLY 36 N -0.04 -0.11 0.14 -3.19 0.00 0.24 -4.90 105.19 97.33 2br2 n GLY 36 Ca -0.10 -0.05 0.12 0.00 0.00 0.00 0.00 46.02 45.99 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 -1.71 0.00 -3.42 1.61 3.04 -1.85 -3.44 116.25 110.47 2br2 h VAL 37 Ca -0.39 -0.96 -0.65 0.00 -1.01 0.00 0.00 66.70 63.69 2br2 h VAL 37 Cb 1.26 1.61 -0.25 0.00 -2.01 0.00 0.00 31.29 31.90 2br2 h VAL 37 CO 0.39 0.00 -0.69 -0.76 -1.01 0.00 0.00 177.57 175.51 2br2 s LEU 38 N -5.51 3.10 0.05 3.16 1.43 -1.26 -5.03 118.68 114.62 2br2 s LEU 38 Ca 0.02 -0.27 -0.19 0.00 -1.03 0.00 0.00 54.13 52.66 2br2 s LEU 38 Cb 0.09 -1.78 -0.14 0.00 0.03 0.00 0.00 46.19 44.39 2br2 s LEU 38 CO 0.75 0.04 1.35 0.11 0.23 0.00 0.00 176.35 178.83 2br2 h LYS 39 N 7.64 0.43 -0.55 1.70 6.56 -2.01 -3.29 116.57 127.04 2br2 h LYS 39 Ca -0.37 -0.24 0.00 0.00 -1.06 0.00 0.00 60.65 58.99 2br2 h LYS 39 Cb 1.18 0.01 0.00 0.00 -0.57 0.00 0.00 32.23 32.85 2br2 h LYS 39 CO 0.60 0.81 0.00 0.09 -2.06 0.00 0.00 179.45 178.89 2br2 n ASN 40 N -4.48 2.25 -4.65 0.86 3.02 -1.26 -4.84 115.26 106.16 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 0.40 -0.38 -0.07 0.00 -0.61 0.00 0.00 39.78 39.12 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 -1.65 3.19 0.16 5.41 0.00 -1.24 -5.04 121.76 122.58 2br2 s ALA 41 Ca 0.21 -1.65 0.07 0.00 0.00 0.00 0.00 51.96 50.59 2br2 s ALA 41 Cb 0.14 -0.79 -0.06 0.00 0.00 0.00 0.00 23.12 22.40 2br2 s ALA 41 CO 0.10 0.26 1.36 -0.44 0.00 0.00 0.00 175.76 177.04 2br2 h ASP 42 N 1.86 0.06 -5.00 0.00 3.32 -1.25 -3.46 116.42 111.95 2br2 h ASP 42 Ca -0.44 -0.05 -0.08 0.00 0.02 0.00 0.00 57.03 56.47 2br2 h ASP 42 Cb 1.25 -0.02 -0.19 0.00 0.22 0.00 0.00 39.33 40.59 2br2 h ASP 42 CO 0.60 0.94 -0.02 -0.83 -1.72 0.00 0.00 179.24 178.21 2br2 s GLY 43 N -4.62 -0.39 -0.07 2.75 0.00 -0.95 -3.92 107.32 100.12 2br2 s GLY 43 Ca -0.00 0.81 -0.26 0.00 0.00 0.00 0.00 44.72 45.27 2br2 s GLY 43 CO 0.81 0.52 0.59 -1.35 0.00 0.00 0.00 173.10 173.66 2br2 s SER 44 N -1.39 -0.55 -0.02 1.64 1.04 -1.25 0.09 113.70 113.25 2br2 s SER 44 Ca -0.11 0.67 -0.13 0.00 0.48 0.00 0.00 55.95 56.86 2br2 s SER 44 Cb -0.02 0.61 0.02 0.00 0.10 0.00 0.00 66.02 66.73 2br2 s SER 44 CO 0.06 -0.51 0.28 0.00 0.98 0.00 0.00 173.24 174.05 2br2 s ALA 45 N -0.97 -0.71 -0.14 5.32 0.00 -0.65 -0.59 121.76 124.02 2br2 s ALA 45 Ca -0.10 0.32 -0.02 0.00 0.00 0.00 0.00 51.96 52.16 2br2 s ALA 45 Cb -0.02 0.01 -0.02 0.00 0.00 0.00 0.00 23.12 23.09 2br2 s ALA 45 CO 0.07 -0.24 -0.08 0.42 0.00 0.00 0.00 175.76 175.94 2br2 s ILE 46 N -1.15 3.54 -0.08 0.00 1.01 0.43 -0.94 121.20 124.02 2br2 s ILE 46 Ca -0.12 -0.48 0.04 0.00 0.00 0.00 0.00 60.65 60.09 2br2 s ILE 46 Cb -0.05 -2.53 -0.00 0.00 0.01 0.00 0.00 42.46 39.89 2br2 s ILE 46 CO 0.03 0.51 -0.21 0.12 0.00 0.00 0.00 174.94 175.39 2br2 s PHE 47 N 0.36 2.24 -0.13 3.97 5.36 -0.56 -1.27 117.98 127.94 2br2 s PHE 47 Ca -0.07 -0.82 0.01 0.00 -0.96 0.00 0.00 56.93 55.10 2br2 s PHE 47 Cb -0.15 -1.50 0.02 0.00 -0.34 0.00 0.00 43.02 41.04 2br2 s PHE 47 CO 0.04 -0.32 -0.15 -1.21 -1.46 0.00 0.00 175.22 172.12 2br2 s GLU 48 N 0.24 2.32 -0.29 10.12 2.02 0.11 -1.43 118.70 131.78 2br2 s GLU 48 Ca -0.13 -0.58 -0.03 0.00 0.02 0.00 0.00 54.97 54.25 2br2 s GLU 48 Cb -0.16 -2.03 0.04 0.00 0.10 0.00 0.00 34.13 32.07 2br2 s GLU 48 CO 0.06 -0.14 0.01 -1.64 0.02 0.00 0.00 175.26 173.57 2br2 s MET 49 N 1.21 2.66 3.96 1.61 -1.94 -0.04 -1.19 119.30 125.56 2br2 s MET 49 Ca -0.01 -1.12 0.00 0.00 -1.71 0.00 0.00 55.69 52.85 2br2 s MET 49 Cb -0.14 -3.21 0.00 0.00 2.01 0.00 0.00 34.83 33.49 2br2 s MET 49 CO -0.06 -0.55 0.00 0.41 -0.01 0.00 0.00 175.02 174.82 2br2 n GLY 50 N 4.70 3.08 0.66 -0.03 0.00 0.71 -0.53 105.19 113.77 2br2 n GLY 50 Ca -0.14 0.27 0.13 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 5.87 2.12 -4.67 1.61 3.02 -1.26 -4.84 115.26 117.11 2br2 n ASN 51 Ca 0.00 -1.65 -0.41 0.00 -0.03 0.00 0.00 54.58 52.49 2br2 n ASN 51 Cb 0.00 0.06 -0.05 0.00 -0.61 0.00 0.00 39.78 39.19 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 -2.10 4.92 -0.06 3.41 2.01 0.31 -4.31 115.64 119.82 2br2 s THR 52 Ca 0.31 1.50 -0.00 0.00 0.31 0.00 0.00 61.69 63.81 2br2 s THR 52 Cb 0.20 -4.08 0.03 0.00 0.01 0.00 0.00 72.50 68.65 2br2 s THR 52 CO 0.36 0.04 -0.02 -0.54 -0.69 0.00 0.00 174.62 173.78 2br2 s LYS 53 N 2.12 0.67 0.06 4.92 1.02 -0.07 -0.86 119.74 127.59 2br2 s LYS 53 Ca 0.35 0.02 0.06 0.00 0.02 0.00 0.00 55.97 56.42 2br2 s LYS 53 Cb -0.16 -0.86 -0.03 0.00 -0.52 0.00 0.00 37.83 36.26 2br2 s LYS 53 CO 0.11 -0.20 -0.17 0.00 -0.92 0.00 0.00 175.35 174.18 2br2 s ALA 54 N 1.44 1.45 -0.05 5.17 0.00 -0.51 0.51 121.76 129.76 2br2 s ALA 54 Ca -0.03 -0.99 0.05 0.00 0.00 0.00 0.00 51.96 50.98 2br2 s ALA 54 Cb -0.13 -0.23 -0.02 0.00 0.00 0.00 0.00 23.12 22.74 2br2 s ALA 54 CO -0.03 0.29 -0.18 -1.50 0.00 0.00 0.00 175.76 174.33 2br2 s ILE 55 N -0.95 2.67 0.00 0.00 2.07 -0.15 -1.50 121.20 123.35 2br2 s ILE 55 Ca 0.04 -0.86 0.05 0.00 -1.41 0.00 0.00 60.65 58.47 2br2 s ILE 55 Cb -0.09 -2.02 -0.02 0.00 0.13 0.00 0.00 42.46 40.46 2br2 s ILE 55 CO 0.02 0.58 -0.16 0.00 -1.91 0.00 0.00 174.94 173.47 2br2 s ALA 56 N -0.47 1.35 -0.02 1.50 0.00 -0.11 -0.75 121.76 123.26 2br2 s ALA 56 Ca 0.06 -0.76 0.04 0.00 0.00 0.00 0.00 51.96 51.29 2br2 s ALA 56 Cb -0.12 -0.31 -0.01 0.00 0.00 0.00 0.00 23.12 22.69 2br2 s ALA 56 CO 0.01 0.31 -0.12 0.00 0.00 0.00 0.00 175.76 175.97 2br2 s ALA 57 N -0.52 1.05 -0.12 0.00 0.00 -0.04 -1.64 121.76 120.49 2br2 s ALA 57 Ca 0.05 -0.52 0.02 0.00 0.00 0.00 0.00 51.96 51.52 2br2 s ALA 57 Cb -0.07 -0.30 -0.01 0.00 0.00 0.00 0.00 23.12 22.75 2br2 s ALA 57 CO 0.00 0.24 -0.18 0.08 0.00 0.00 0.00 175.76 175.89 2br2 s VAL 58 N -0.18 2.55 -0.39 0.00 1.01 0.11 -0.77 120.40 122.72 2br2 s VAL 58 Ca 0.03 -0.84 -0.06 0.00 0.00 0.00 0.00 61.98 61.10 2br2 s VAL 58 Cb -0.06 -2.03 0.08 0.00 0.00 0.00 0.00 36.38 34.37 2br2 s VAL 58 CO -0.00 0.54 0.20 -0.31 0.00 0.00 0.00 175.10 175.53 2br2 s TYR 59 N 0.41 3.38 1.38 5.22 1.51 -0.25 -0.72 117.35 128.28 2br2 s TYR 59 Ca -0.14 -1.79 -0.22 0.00 -1.01 0.00 0.00 57.07 53.92 2br2 s TYR 59 Cb -0.17 -2.86 0.34 0.00 -0.11 0.00 0.00 41.96 39.16 2br2 s TYR 59 CO 0.06 -0.86 0.78 0.41 -1.11 0.00 0.00 175.55 174.83 2br2 n GLY 60 N 4.79 -3.55 3.68 0.71 0.00 -1.26 -2.67 105.19 106.89 2br2 n GLY 60 Ca -0.09 -1.51 -0.46 0.00 0.00 0.00 0.00 46.02 43.96 2br2 n GLY 60 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2br2 n PRO 61 N -5.01 2.26 -3.78 1.61 -0.02 -1.26 -4.67 135.00 124.13 2br2 n PRO 61 Ca 0.12 0.82 -0.13 0.00 -2.02 0.00 0.00 63.50 62.29 2br2 n PRO 61 Cb 0.55 -2.63 -0.10 0.00 -0.02 0.00 0.00 33.50 31.30 2br2 n PRO 61 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 2br2 s LYS 62 N 2.13 0.54 0.28 -0.52 -2.85 -0.88 -4.95 119.74 113.50 2br2 s LYS 62 Ca 0.83 -0.04 -0.28 0.00 -1.00 0.00 0.00 55.97 55.48 2br2 s LYS 62 Cb -0.65 0.24 -0.14 0.00 -2.06 0.00 0.00 37.83 35.22 2br2 s LYS 62 CO 0.42 -0.13 1.01 0.39 0.10 0.00 0.00 175.35 177.14 2br2 n GLU 63 N 1.80 1.32 -3.57 1.78 1.02 -1.26 -0.22 120.64 121.51 2br2 n GLU 63 Ca -0.19 0.46 -0.36 0.00 -0.02 0.00 0.00 57.16 57.05 2br2 n GLU 63 Cb 0.56 -1.84 -0.07 0.00 -0.02 0.00 0.00 31.44 30.08 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 -1.47 4.20 0.00 3.49 1.75 -1.18 -4.69 119.30 121.40 2br2 s MET 64 Ca 0.60 0.07 0.00 0.00 -1.25 0.00 0.00 55.69 55.10 2br2 s MET 64 Cb -0.71 -3.41 0.00 0.00 2.84 0.00 0.00 34.83 33.55 2br2 s MET 64 CO 0.59 0.28 0.71 -2.39 -0.65 0.00 0.00 175.02 173.56 2br2 n HIS 65 N 3.44 0.00 -3.20 4.11 1.44 -1.26 -3.80 115.22 115.94 2br2 n HIS 65 Ca -0.13 0.00 -0.42 0.00 -2.01 0.00 0.00 57.72 55.17 2br2 n HIS 65 Cb 0.52 -0.21 -0.07 0.00 0.12 0.00 0.00 29.99 30.35 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 -1.83 3.57 0.44 -1.40 0.05 -1.26 -4.97 135.00 129.60 2br2 s PRO 66 Ca 0.00 -0.16 0.13 0.00 0.05 0.00 0.00 61.00 61.02 2br2 s PRO 66 Cb 0.00 -3.83 1.03 0.00 0.05 0.00 0.00 34.50 31.75 2br2 s PRO 66 CO 0.00 -0.71 2.01 -0.09 0.05 0.00 0.00 177.00 178.26 2br2 h ARG 67 N 8.52 0.37 0.00 4.56 2.43 -1.99 -1.28 114.38 127.00 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 -0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 30.58 2br2 h ARG 67 CO 0.80 0.25 -0.00 1.12 -1.51 0.00 0.00 179.97 180.63 2br2 h HIS 68 N 0.39 0.00 -0.01 2.20 2.07 -1.93 -0.85 115.15 117.02 2br2 h HIS 68 Ca 0.22 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.74 2br2 h HIS 68 Cb 0.38 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.36 2br2 h HIS 68 CO -0.00 0.00 -0.24 1.28 -3.07 0.00 0.00 177.93 175.90 2br2 n LEU 69 N -3.15 0.74 -4.94 6.12 4.77 -0.48 -4.90 117.00 115.16 2br2 n LEU 69 Ca -0.03 -0.11 -0.26 0.00 -0.03 0.00 0.00 56.01 55.58 2br2 n LEU 69 Cb 0.09 -0.17 0.10 0.00 -2.33 0.00 0.00 43.42 41.11 2br2 n LEU 69 CO 0.21 0.14 0.65 -0.94 -1.33 0.00 0.00 177.39 176.13 2br2 s SER 70 N -2.59 4.38 0.04 -1.43 1.04 -0.33 -5.00 113.70 109.83 2br2 s SER 70 Ca 0.23 0.23 0.08 0.00 0.48 0.00 0.00 55.95 56.98 2br2 s SER 70 Cb 0.19 -0.71 -0.03 0.00 0.10 0.00 0.00 66.02 65.57 2br2 s SER 70 CO 0.53 -1.87 -0.24 -0.76 0.98 0.00 0.00 173.24 171.89 2br2 s LEU 71 N -5.34 2.17 0.46 2.42 1.43 -1.26 -5.02 118.68 113.53 2br2 s LEU 71 Ca 0.64 -0.56 0.25 0.00 -1.03 0.00 0.00 54.13 53.44 2br2 s LEU 71 Cb -0.08 -1.14 0.62 0.00 0.03 0.00 0.00 46.19 45.63 2br2 s LEU 71 CO 0.46 0.21 1.71 1.55 0.23 0.00 0.00 176.35 180.51 2br2 h PRO 72 N 4.83 0.00 0.00 1.29 0.13 -1.97 -0.92 132.00 135.36 2br2 h PRO 72 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2br2 h PRO 72 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 2br2 h PRO 72 CO 0.44 0.06 -0.66 -0.40 -0.23 0.00 0.00 178.00 177.21 2br2 n ASP 73 N -3.13 1.28 -3.97 1.44 5.75 -1.26 -4.58 116.55 112.08 2br2 n ASP 73 Ca 0.03 -0.46 -0.08 0.00 -0.01 0.00 0.00 54.79 54.27 2br2 n ASP 73 Cb 0.48 1.11 -0.08 0.00 -1.03 0.00 0.00 41.12 41.60 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 -1.95 0.82 0.40 0.11 0.52 -1.25 -4.39 118.95 113.21 2br2 s ARG 74 Ca 0.01 -1.12 -0.16 0.00 -0.52 0.00 0.00 55.73 53.94 2br2 s ARG 74 Cb 0.05 0.29 -0.09 0.00 0.52 0.00 0.00 34.95 35.73 2br2 s ARG 74 CO 0.30 -0.24 0.84 0.00 0.02 0.00 0.00 175.30 176.23 2br2 s ALA 75 N -3.91 3.21 -0.20 2.13 0.00 0.24 -2.91 121.76 120.31 2br2 s ALA 75 Ca 0.09 0.11 -0.14 0.00 0.00 0.00 0.00 51.96 52.02 2br2 s ALA 75 Cb 0.06 -2.92 -0.04 0.00 0.00 0.00 0.00 23.12 20.22 2br2 s ALA 75 CO -0.08 0.10 0.29 0.08 0.00 0.00 0.00 175.76 176.15 2br2 s VAL 76 N -2.24 5.28 -0.05 0.00 1.01 -0.17 -4.93 120.40 119.31 2br2 s VAL 76 Ca 0.56 0.49 -0.23 0.00 0.00 0.00 0.00 61.98 62.81 2br2 s VAL 76 Cb -0.10 -3.63 -0.04 0.00 0.00 0.00 0.00 36.38 32.61 2br2 s VAL 76 CO 0.22 0.32 0.68 -0.76 0.00 0.00 0.00 175.10 175.56 2br2 s LEU 77 N 1.00 4.34 -0.22 3.92 1.43 -1.26 -0.80 118.68 127.09 2br2 s LEU 77 Ca 0.15 1.19 -0.00 0.00 -1.03 0.00 0.00 54.13 54.43 2br2 s LEU 77 Cb -0.14 -3.05 0.03 0.00 0.03 0.00 0.00 46.19 43.06 2br2 s LEU 77 CO 0.05 -0.06 -0.12 -0.13 0.23 0.00 0.00 176.35 176.32 2br2 s ARG 78 N 0.56 2.86 -0.04 1.70 0.52 -0.45 -4.95 118.95 119.15 2br2 s ARG 78 Ca 0.36 -0.94 0.06 0.00 -0.52 0.00 0.00 55.73 54.69 2br2 s ARG 78 Cb -0.18 -2.82 -0.01 0.00 0.52 0.00 0.00 34.95 32.46 2br2 s ARG 78 CO 0.18 -0.33 -0.22 0.08 0.02 0.00 0.00 175.30 175.03 2br2 s VAL 79 N 1.30 1.79 -0.18 3.52 1.01 -1.26 -0.40 120.40 126.19 2br2 s VAL 79 Ca 0.01 -0.93 0.01 0.00 0.00 0.00 0.00 61.98 61.07 2br2 s VAL 79 Cb -0.16 -1.51 0.03 0.00 0.00 0.00 0.00 36.38 34.74 2br2 s VAL 79 CO -0.07 0.50 -0.15 -0.60 0.00 0.00 0.00 175.10 174.78 2br2 s ARG 80 N -0.20 2.45 -0.25 2.72 3.52 -0.58 -4.91 118.95 121.70 2br2 s ARG 80 Ca -0.00 -0.75 -0.09 0.00 -0.13 0.00 0.00 55.73 54.76 2br2 s ARG 80 Cb -0.12 -2.36 -0.04 0.00 -1.56 0.00 0.00 34.95 30.87 2br2 s ARG 80 CO 0.02 -0.29 0.13 -0.47 -0.81 0.00 0.00 175.30 173.88 2br2 s TYR 81 N 1.38 3.19 -0.06 5.12 5.04 -1.26 -0.81 117.35 129.94 2br2 s TYR 81 Ca 0.03 -0.07 -0.06 0.00 -2.44 0.00 0.00 57.07 54.53 2br2 s TYR 81 Cb -0.14 -2.28 0.02 0.00 0.35 0.00 0.00 41.96 39.91 2br2 s TYR 81 CO -0.11 -0.17 0.17 -1.58 -1.34 0.00 0.00 175.55 172.53 2br2 s HIS 82 N 1.46 -0.19 -0.20 4.97 2.46 -0.91 -4.81 115.29 118.07 2br2 s HIS 82 Ca 0.06 0.46 -0.07 0.00 0.47 0.00 0.00 55.06 55.98 2br2 s HIS 82 Cb -0.15 0.06 -0.04 0.00 -0.13 0.00 0.00 32.58 32.33 2br2 s HIS 82 CO 0.06 -0.09 0.07 -1.64 -2.47 0.00 0.00 174.74 170.66 2br2 s MET 83 N 0.07 3.90 0.52 2.88 1.00 -1.26 -0.13 119.30 126.28 2br2 s MET 83 Ca -0.00 -0.38 -0.21 0.00 0.00 0.00 0.00 55.69 55.10 2br2 s MET 83 Cb -0.01 -3.25 -0.06 0.00 0.00 0.00 0.00 34.83 31.51 2br2 s MET 83 CO 0.00 0.16 1.19 0.95 0.00 0.00 0.00 175.02 177.32 2br2 s THR 84 N 0.68 2.88 0.62 2.05 -4.23 -0.74 -4.84 115.64 112.06 2br2 s THR 84 Ca 0.03 0.61 0.33 0.00 -1.18 0.00 0.00 61.69 61.48 2br2 s THR 84 Cb -0.13 -3.28 0.37 0.00 1.34 0.00 0.00 72.50 70.80 2br2 s THR 84 CO 0.02 -0.06 2.18 -0.65 -0.54 0.00 0.00 174.62 175.57 2br2 h PRO 85 N 1.51 0.00 -0.54 3.99 0.11 -1.91 -1.48 132.00 133.69 2br2 h PRO 85 Ca -0.50 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.54 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 0.58 0.00 0.08 1.97 -0.21 0.00 0.00 178.00 180.42 2br2 n PHE 86 N -3.49 1.89 0.63 0.65 1.16 -1.26 -2.13 117.46 114.92 2br2 n PHE 86 Ca -0.01 -0.94 0.12 0.00 -1.87 0.00 0.00 57.45 54.75 2br2 n PHE 86 Cb 0.22 -0.52 0.26 0.00 -1.61 0.00 0.00 39.48 37.83 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 0.69 -4.43 5.98 3.41 -0.56 -4.85 113.62 113.92 2br2 n SER 87 Ca 0.31 0.23 -0.26 0.00 -0.26 0.00 0.00 58.87 58.89 2br2 n SER 87 Cb 1.18 -0.12 -0.09 0.00 -0.26 0.00 0.00 64.21 64.92 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 -3.13 1.11 0.14 6.66 -4.23 -1.26 -0.05 115.64 114.89 2br2 s THR 88 Ca 0.08 -2.00 -0.12 0.00 -1.18 0.00 0.00 61.69 58.47 2br2 s THR 88 Cb 0.14 -2.58 -0.00 0.00 1.34 0.00 0.00 72.50 71.40 2br2 s THR 88 CO 0.68 0.00 1.56 0.44 -0.54 0.00 0.00 174.62 176.76 2br2 h ASP 89 N 1.84 0.86 -2.90 3.99 3.32 -1.91 -3.41 116.42 118.21 2br2 h ASP 89 Ca -0.40 -0.35 -0.64 0.00 0.02 0.00 0.00 57.03 55.66 2br2 h ASP 89 Cb 1.26 -0.23 -0.08 0.00 0.22 0.00 0.00 39.33 40.50 2br2 h ASP 89 CO 0.68 1.01 -0.44 -1.61 -1.72 0.00 0.00 179.24 177.15 2br2 s GLU 90 N -4.86 3.75 0.08 3.56 2.02 -1.26 -5.04 118.70 116.96 2br2 s GLU 90 Ca -0.12 -0.09 -0.31 0.00 0.02 0.00 0.00 54.97 54.48 2br2 s GLU 90 Cb 0.11 -3.27 -0.10 0.00 0.10 0.00 0.00 34.13 30.97 2br2 s GLU 90 CO 0.83 0.60 1.88 0.50 0.02 0.00 0.00 175.26 179.09 2br2 s ARG 91 N -0.53 4.14 0.24 1.61 3.52 -1.26 -4.92 118.95 121.74 2br2 s ARG 91 Ca 0.14 2.59 -0.30 0.00 -0.13 0.00 0.00 55.73 58.03 2br2 s ARG 91 Cb -0.12 -3.83 -0.09 0.00 -1.56 0.00 0.00 34.95 29.35 2br2 s ARG 91 CO 0.03 -0.89 1.01 0.15 -0.81 0.00 0.00 175.30 174.80 2br2 s LYS 92 N 3.44 4.74 0.07 5.12 1.02 -0.91 -5.03 119.74 128.20 2br2 s LYS 92 Ca 0.84 1.62 -0.31 0.00 0.02 0.00 0.00 55.97 58.14 2br2 s LYS 92 Cb -0.44 -3.26 -0.08 0.00 -0.52 0.00 0.00 37.83 33.53 2br2 s LYS 92 CO 0.38 0.34 1.53 1.21 -0.92 0.00 0.00 175.35 177.89 2br2 s ASN 93 N -0.87 6.71 0.57 2.83 3.84 -1.26 -4.32 114.94 122.43 2br2 s ASN 93 Ca 0.44 2.38 0.33 0.00 0.21 0.00 0.00 52.86 56.21 2br2 s ASN 93 Cb -0.28 -2.57 1.69 0.00 -0.55 0.00 0.00 41.25 39.54 2br2 s ASN 93 CO 0.35 -0.79 2.13 1.55 -2.79 0.00 0.00 177.10 177.55 2br2 h PRO 94 N 7.72 0.00 -6.84 0.43 0.13 -1.96 -3.44 132.00 128.04 2br2 h PRO 94 Ca -0.41 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.17 2br2 h PRO 94 Cb 1.20 0.00 0.11 0.00 0.13 0.00 0.00 31.00 32.43 2br2 h PRO 94 CO 0.91 0.06 0.67 0.00 -0.23 0.00 0.00 178.00 179.41 2br2 n ALA 95 N -2.18 1.94 -2.06 -0.56 0.00 -1.26 -4.89 120.51 111.49 2br2 n ALA 95 Ca -0.02 0.35 -0.41 0.00 0.00 0.00 0.00 53.44 53.36 2br2 n ALA 95 Cb 0.21 -2.35 -0.03 0.00 0.00 0.00 0.00 19.45 17.27 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 -1.86 4.40 0.50 0.00 0.02 -1.26 -5.01 135.00 131.80 2br2 s PRO 96 Ca 0.55 2.01 -0.04 0.00 0.02 0.00 0.00 61.00 63.54 2br2 s PRO 96 Cb -0.52 -3.22 -0.02 0.00 0.02 0.00 0.00 34.50 30.77 2br2 s PRO 96 CO 0.62 -0.25 0.79 -1.54 -0.33 0.00 0.00 177.00 176.29 2br2 s SER 97 N 0.44 5.98 0.31 2.53 1.04 -1.26 -4.93 113.70 117.82 2br2 s SER 97 Ca 0.57 0.73 0.04 0.00 0.48 0.00 0.00 55.95 57.77 2br2 s SER 97 Cb -0.35 -1.95 0.66 0.00 0.10 0.00 0.00 66.02 64.48 2br2 s SER 97 CO 0.36 -0.74 1.86 0.03 0.98 0.00 0.00 173.24 175.73 2br2 h ARG 98 N 0.15 0.85 -0.50 4.02 3.08 -1.99 -0.17 114.38 119.82 2br2 h ARG 98 Ca -0.46 -0.05 0.01 0.00 0.07 0.00 0.00 59.98 59.55 2br2 h ARG 98 Cb 1.23 -0.19 -0.03 0.00 0.08 0.00 0.00 29.97 31.06 2br2 h ARG 98 CO 0.61 0.56 0.32 -0.09 -1.07 0.00 0.00 179.97 180.30 2br2 h ARG 99 N 0.87 0.62 -0.49 0.04 2.43 -1.99 -0.60 114.38 115.27 2br2 h ARG 99 Ca 0.47 -0.04 -0.07 0.00 -0.81 0.00 0.00 59.98 59.53 2br2 h ARG 99 Cb 0.55 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.94 2br2 h ARG 99 CO -0.23 0.41 0.02 0.93 -1.51 0.00 0.00 179.97 179.60 2br2 h GLU 100 N 0.64 0.80 -0.18 0.20 5.08 -1.51 -0.92 114.58 118.69 2br2 h GLU 100 Ca 0.19 -0.21 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 2br2 h GLU 100 Cb -0.04 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 2br2 h GLU 100 CO -0.06 0.79 0.06 0.82 -1.00 0.00 0.00 179.01 179.62 2br2 h ILE 101 N 0.75 1.18 -0.12 3.13 2.04 -0.76 -0.91 117.51 122.82 2br2 h ILE 101 Ca 0.15 -0.55 -0.01 0.00 1.00 0.00 0.00 64.86 65.45 2br2 h ILE 101 Cb 0.42 1.20 -0.01 0.00 -0.74 0.00 0.00 36.82 37.70 2br2 h ILE 101 CO 0.02 0.17 0.05 -0.08 0.00 0.00 0.00 178.15 178.31 2br2 h GLU 102 N 0.13 0.18 -0.28 2.37 4.81 -0.94 -2.78 114.58 118.07 2br2 h GLU 102 Ca 0.06 -0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 59.20 2br2 h GLU 102 Cb 0.21 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.55 2br2 h GLU 102 CO -0.00 0.27 -0.09 -0.07 -0.73 0.00 0.00 179.01 178.38 2br2 h LEU 103 N 0.05 0.43 -0.57 1.64 3.38 -1.15 -0.32 115.31 118.77 2br2 h LEU 103 Ca 0.04 -0.10 0.04 0.00 0.09 0.00 0.00 57.88 57.95 2br2 h LEU 103 Cb 0.15 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.75 2br2 h LEU 103 CO -0.00 0.57 0.33 0.28 0.09 0.00 0.00 178.44 179.70 2br2 h SER 104 N 0.42 0.51 -0.03 -0.43 0.02 -1.07 0.11 113.55 113.08 2br2 h SER 104 Ca 0.08 0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 61.04 2br2 h SER 104 Cb 0.43 -0.09 -0.00 0.00 0.14 0.00 0.00 62.40 62.88 2br2 h SER 104 CO 0.02 0.35 0.00 0.50 -1.14 0.00 0.00 176.83 176.57 2br2 h LYS 105 N 0.64 0.05 -0.68 3.45 3.64 -1.04 -0.54 116.57 122.08 2br2 h LYS 105 Ca 0.24 -0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.64 2br2 h LYS 105 Cb 0.08 -0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 31.85 2br2 h LYS 105 CO -0.13 0.31 0.42 0.28 -2.27 0.00 0.00 179.45 178.06 2br2 h VAL 106 N -0.21 1.07 -0.35 2.00 2.07 -0.87 -0.55 116.25 119.41 2br2 h VAL 106 Ca 0.01 -0.28 -0.07 0.00 0.82 0.00 0.00 66.70 67.18 2br2 h VAL 106 Cb 0.28 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.23 2br2 h VAL 106 CO 0.00 0.15 -0.04 0.40 0.02 0.00 0.00 177.57 178.10 2br2 h ILE 107 N 0.81 1.27 -0.44 4.57 2.04 -0.74 -2.14 117.51 122.88 2br2 h ILE 107 Ca 0.28 -1.06 0.07 0.00 1.00 0.00 0.00 64.86 65.15 2br2 h ILE 107 Cb 0.05 1.25 -0.06 0.00 -0.74 0.00 0.00 36.82 37.32 2br2 h ILE 107 CO -0.12 0.35 0.11 -0.09 0.00 0.00 0.00 178.15 178.40 2br2 h ARG 108 N 0.45 0.24 -0.51 2.37 2.43 -0.57 -1.59 114.38 117.19 2br2 h ARG 108 Ca 0.09 -0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.18 2br2 h ARG 108 Cb 0.52 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.99 2br2 h ARG 108 CO 0.03 0.16 0.02 0.93 -1.51 0.00 0.00 179.97 179.60 2br2 h GLU 109 N 0.25 0.85 -0.50 0.20 5.08 -0.99 0.40 114.58 119.87 2br2 h GLU 109 Ca 0.21 -0.23 0.05 0.00 -1.00 0.00 0.00 59.36 58.40 2br2 h GLU 109 Cb 0.25 -0.10 -0.05 0.00 0.50 0.00 0.00 28.75 29.36 2br2 h GLU 109 CO -0.26 0.83 0.24 0.00 -1.00 0.00 0.00 179.01 178.82 2br2 h ALA 110 N 1.23 0.64 -0.22 3.43 0.00 -0.90 -2.51 119.26 120.92 2br2 h ALA 110 Ca 0.16 0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.96 2br2 h ALA 110 Cb 0.45 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 2br2 h ALA 110 CO 0.02 -0.13 -0.45 -0.07 0.00 0.00 0.00 179.25 178.63 2br2 h LEU 111 N 0.46 0.59 -1.82 0.00 3.38 -0.37 -2.92 115.31 114.63 2br2 h LEU 111 Ca 0.23 -0.28 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 2br2 h LEU 111 Cb 0.16 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 2br2 h LEU 111 CO -0.18 0.96 -0.14 -0.33 0.09 0.00 0.00 178.44 178.84 2br2 h GLU 112 N 0.45 0.00 0.00 1.13 5.08 -0.55 0.18 114.58 120.87 2br2 h GLU 112 Ca 0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 2br2 h GLU 112 Cb 0.96 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.21 2br2 h GLU 112 CO 0.09 0.14 0.00 -1.13 -1.00 0.00 0.00 179.01 177.11 2br2 n SER 113 N -3.82 0.78 -0.09 1.42 3.41 -0.99 -4.06 113.62 110.26 2br2 n SER 113 Ca -0.02 0.61 -0.15 0.00 -0.26 0.00 0.00 58.87 59.05 2br2 n SER 113 Cb 0.25 -0.81 -0.08 0.00 -0.26 0.00 0.00 64.21 63.31 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 -1.79 1.63 -2.34 7.33 0.00 -0.12 -4.85 120.51 120.38 2br2 n ALA 114 Ca 0.04 -0.78 -0.41 0.00 0.00 0.00 0.00 53.44 52.28 2br2 n ALA 114 Cb 0.36 0.12 -0.04 0.00 0.00 0.00 0.00 19.45 19.89 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 -2.37 4.23 -1.42 0.00 1.01 0.44 0.18 120.40 122.47 2br2 s VAL 115 Ca -0.25 1.74 -0.15 0.00 0.00 0.00 0.00 61.98 63.32 2br2 s VAL 115 Cb 0.07 -4.11 0.05 0.00 0.00 0.00 0.00 36.38 32.39 2br2 s VAL 115 CO 0.41 0.21 2.12 0.18 0.00 0.00 0.00 175.10 178.02 2br2 n LEU 116 N 3.21 6.49 0.29 3.92 4.77 -0.81 -4.77 117.00 130.11 2br2 n LEU 116 Ca 0.05 -4.12 0.16 0.00 -0.03 0.00 0.00 56.01 52.08 2br2 n LEU 116 Cb 0.48 -1.67 0.90 0.00 -2.33 0.00 0.00 43.42 40.80 2br2 n LEU 116 CO 0.53 0.94 1.07 -0.37 -1.33 0.00 0.00 177.39 178.23 2br2 h VAL 117 N 4.29 0.35 0.00 4.08 -1.51 -1.89 -2.58 116.25 118.98 2br2 h VAL 117 Ca 0.54 -0.26 -0.02 0.00 -1.23 0.00 0.00 66.70 65.74 2br2 h VAL 117 Cb 0.68 1.18 -0.00 0.00 -2.13 0.00 0.00 31.29 31.03 2br2 h VAL 117 CO 1.80 0.04 -0.09 -0.33 -1.23 0.00 0.00 177.57 177.77 2br2 h GLU 118 N 0.00 0.00 0.00 5.19 3.07 -1.86 0.86 114.58 121.84 2br2 h GLU 118 Ca -0.00 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2br2 h GLU 118 Cb 0.18 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.09 2br2 h GLU 118 CO 0.01 0.09 -0.00 -0.07 -1.40 0.00 0.00 179.01 177.63 2br2 h LEU 119 N 0.00 0.00 -6.06 1.33 4.07 -1.73 -3.36 115.31 109.56 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 0.24 0.00 -0.41 0.00 1.08 0.00 0.00 40.66 41.58 2br2 h LEU 119 CO 0.01 0.00 -0.85 0.49 -1.08 0.00 0.00 178.44 177.02 2br2 n PHE 120 N -3.10 1.76 -1.54 1.13 3.01 -0.84 -5.04 117.46 112.83 2br2 n PHE 120 Ca -0.01 -3.87 -0.34 0.00 1.01 0.00 0.00 57.45 54.24 2br2 n PHE 120 Cb 0.21 -0.46 0.08 0.00 -0.01 0.00 0.00 39.48 39.30 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 -1.95 2.32 -0.36 -1.08 0.02 -1.26 -2.35 135.00 130.34 2br2 s PRO 121 Ca 0.38 1.70 0.00 0.00 0.02 0.00 0.00 61.00 63.10 2br2 s PRO 121 Cb 0.17 -1.86 0.00 0.00 0.02 0.00 0.00 34.50 32.83 2br2 s PRO 121 CO -0.06 -1.68 0.00 0.54 -0.33 0.00 0.00 177.00 175.46 2br2 n ARG 122 N -2.57 -1.52 -4.29 5.54 5.12 -0.35 -4.86 116.66 113.72 2br2 n ARG 122 Ca 0.13 0.54 -0.24 0.00 -1.93 0.00 0.00 57.85 56.35 2br2 n ARG 122 Cb 0.50 -4.75 -0.08 0.00 -1.16 0.00 0.00 32.46 26.97 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 -1.48 2.79 0.04 0.55 -4.23 -1.18 -3.12 115.64 109.01 2br2 s THR 123 Ca 0.00 -1.93 0.08 0.00 -1.18 0.00 0.00 61.69 58.67 2br2 s THR 123 Cb 0.00 -2.82 -0.03 0.00 1.34 0.00 0.00 72.50 70.99 2br2 s THR 123 CO 0.00 -0.22 -0.23 0.00 -0.54 0.00 0.00 174.62 173.63 2br2 s ALA 124 N -2.48 2.40 -0.24 3.99 0.00 0.69 -1.00 121.76 125.13 2br2 s ALA 124 Ca 0.35 -1.24 0.00 0.00 0.00 0.00 0.00 51.96 51.07 2br2 s ALA 124 Cb -0.01 -0.59 0.03 0.00 0.00 0.00 0.00 23.12 22.55 2br2 s ALA 124 CO 0.20 0.55 -0.10 0.42 0.00 0.00 0.00 175.76 176.82 2br2 s ILE 125 N -0.85 2.52 -0.19 0.00 1.01 0.02 -2.07 121.20 121.63 2br2 s ILE 125 Ca 0.13 -1.16 -0.14 0.00 0.00 0.00 0.00 60.65 59.48 2br2 s ILE 125 Cb -0.10 -2.28 -0.04 0.00 0.01 0.00 0.00 42.46 40.04 2br2 s ILE 125 CO 0.03 0.22 0.32 -1.81 0.00 0.00 0.00 174.94 173.70 2br2 s ASP 126 N 1.26 6.39 -0.24 3.58 1.01 -1.09 -1.34 116.67 126.25 2br2 s ASP 126 Ca -0.01 0.46 0.02 0.00 0.71 0.00 0.00 52.55 53.73 2br2 s ASP 126 Cb -0.17 -2.19 0.05 0.00 1.01 0.00 0.00 42.92 41.62 2br2 s ASP 126 CO -0.07 0.02 -0.11 -0.69 0.21 0.00 0.00 175.17 174.53 2br2 s VAL 127 N 0.92 1.95 -0.18 -1.27 1.01 0.47 -1.09 120.40 122.21 2br2 s VAL 127 Ca 0.16 -1.38 -0.05 0.00 0.00 0.00 0.00 61.98 60.72 2br2 s VAL 127 Cb -0.14 -2.05 -0.03 0.00 0.00 0.00 0.00 36.38 34.16 2br2 s VAL 127 CO 0.06 0.06 -0.01 -0.36 0.00 0.00 0.00 175.10 174.85 2br2 s PHE 128 N 1.22 3.07 -0.07 5.22 0.40 0.05 -1.53 117.98 126.34 2br2 s PHE 128 Ca -0.06 -0.29 0.04 0.00 -0.60 0.00 0.00 56.93 56.02 2br2 s PHE 128 Cb -0.18 -2.03 0.00 0.00 0.51 0.00 0.00 43.02 41.32 2br2 s PHE 128 CO -0.07 -0.08 -0.20 0.99 0.70 0.00 0.00 175.22 176.56 2br2 s THR 129 N 0.60 1.69 -0.09 0.64 2.01 0.01 -0.86 115.64 119.64 2br2 s THR 129 Ca -0.01 -0.83 0.01 0.00 0.31 0.00 0.00 61.69 61.17 2br2 s THR 129 Cb -0.14 -1.47 0.02 0.00 0.01 0.00 0.00 72.50 70.93 2br2 s THR 129 CO 0.02 0.48 -0.09 -1.61 -0.69 0.00 0.00 174.62 172.73 2br2 s GLU 130 N 0.24 1.50 -0.31 4.92 0.41 0.07 -2.15 118.70 123.38 2br2 s GLU 130 Ca -0.11 -0.28 -0.24 0.00 -0.41 0.00 0.00 54.97 53.92 2br2 s GLU 130 Cb -0.15 -1.44 0.00 0.00 -1.78 0.00 0.00 34.13 30.76 2br2 s GLU 130 CO 0.05 -0.15 0.83 0.42 -0.49 0.00 0.00 175.26 175.92 2br2 s ILE 131 N 1.30 4.75 -0.07 -1.63 1.09 0.82 -0.97 121.20 126.48 2br2 s ILE 131 Ca -0.03 1.25 0.10 0.00 -1.10 0.00 0.00 60.65 60.87 2br2 s ILE 131 Cb -0.14 -4.19 -0.24 0.00 -1.06 0.00 0.00 42.46 36.83 2br2 s ILE 131 CO -0.03 -0.30 0.57 0.18 -0.10 0.00 0.00 174.94 175.26 2br2 n LEU 132 N 6.32 1.13 -3.81 2.97 4.77 0.18 -1.80 117.00 126.77 2br2 n LEU 132 Ca 0.05 0.35 -0.13 0.00 -0.03 0.00 0.00 56.01 56.26 2br2 n LEU 132 Cb 0.48 -0.03 -0.13 0.00 -2.33 0.00 0.00 43.42 41.41 2br2 n LEU 132 CO 0.52 0.48 -0.21 -1.10 -1.33 0.00 0.00 177.39 175.75 2br2 s GLN 133 N -2.58 0.16 -0.16 3.23 -0.21 -1.10 -4.13 119.66 114.86 2br2 s GLN 133 Ca -0.08 0.23 -0.03 0.00 0.02 0.00 0.00 55.36 55.50 2br2 s GLN 133 Cb 0.08 0.04 -0.02 0.00 1.00 0.00 0.00 33.01 34.11 2br2 s GLN 133 CO 0.81 -0.04 -0.06 0.00 -2.12 0.00 0.00 175.29 173.88 2br2 s ALA 134 N 0.25 2.87 -0.32 6.09 0.00 0.93 -0.90 121.76 130.69 2br2 s ALA 134 Ca -0.01 -0.90 0.17 0.00 0.00 0.00 0.00 51.96 51.22 2br2 s ALA 134 Cb -0.03 -1.50 0.46 0.00 0.00 0.00 0.00 23.12 22.05 2br2 s ALA 134 CO -0.01 0.11 1.09 -3.47 0.00 0.00 0.00 175.76 173.48 2br2 n ASP 135 N 3.74 0.77 -0.56 0.00 2.03 -1.26 -4.78 116.55 116.49 2br2 n ASP 135 Ca -0.18 -2.49 0.00 0.00 0.52 0.00 0.00 54.79 52.64 2br2 n ASP 135 Cb 0.52 -0.20 0.00 0.00 -0.72 0.00 0.00 41.12 40.72 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 -0.36 -1.28 -0.85 -1.67 0.00 -1.26 -3.35 120.51 111.75 2br2 n ALA 136 Ca 0.05 0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.66 2br2 n ALA 136 Cb 0.82 -0.83 0.00 0.00 0.00 0.00 0.00 19.45 19.44 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 -1.50 0.56 0.26 0.00 0.00 -1.26 -4.76 105.19 98.49 2br2 n GLY 137 Ca 0.00 -0.09 0.01 0.00 0.00 0.00 0.00 46.02 45.94 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 0.35 -0.64 1.61 0.02 -1.95 -1.08 113.55 111.86 2br2 h SER 138 Ca 0.00 0.07 0.06 0.00 -0.84 0.00 0.00 61.79 61.08 2br2 h SER 138 Cb 0.00 0.03 -0.04 0.00 0.14 0.00 0.00 62.40 62.53 2br2 h SER 138 CO 0.00 0.19 0.42 0.08 -1.14 0.00 0.00 176.83 176.38 2br2 h ARG 139 N 0.50 0.64 0.21 3.45 0.11 -1.99 0.95 114.38 118.26 2br2 h ARG 139 Ca 0.34 -0.04 -0.32 0.00 0.10 0.00 0.00 59.98 60.07 2br2 h ARG 139 Cb 0.41 -0.14 0.04 0.00 1.11 0.00 0.00 29.97 31.38 2br2 h ARG 139 CO -0.30 0.43 -1.37 -0.07 0.10 0.00 0.00 179.97 178.76 2br2 h LEU 140 N 0.66 0.84 -0.60 0.08 3.38 -1.63 -1.51 115.31 116.54 2br2 h LEU 140 Ca 0.27 -0.89 0.00 0.00 0.09 0.00 0.00 57.88 57.36 2br2 h LEU 140 Cb 0.23 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 2br2 h LEU 140 CO -0.08 1.66 0.39 0.58 0.09 0.00 0.00 178.44 181.08 2br2 h VAL 141 N 0.16 1.16 -0.30 1.22 2.07 -0.81 0.40 116.25 120.15 2br2 h VAL 141 Ca -0.23 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 66.99 2br2 h VAL 141 Cb 2.06 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 32.11 2br2 h VAL 141 CO 0.26 0.15 0.20 -1.28 0.02 0.00 0.00 177.57 176.92 2br2 h SER 142 N 0.81 0.35 -0.43 0.57 0.87 -0.86 0.03 113.55 114.89 2br2 h SER 142 Ca 0.22 -0.02 0.01 0.00 -1.23 0.00 0.00 61.79 60.77 2br2 h SER 142 Cb -0.08 -0.09 -0.03 0.00 -0.44 0.00 0.00 62.40 61.77 2br2 h SER 142 CO -0.05 0.26 0.27 0.25 -0.53 0.00 0.00 176.83 177.03 2br2 h LEU 143 N 0.40 0.45 -0.34 2.23 5.85 -0.84 -0.42 115.31 122.64 2br2 h LEU 143 Ca 0.11 -0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.78 2br2 h LEU 143 Cb -0.04 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 40.88 2br2 h LEU 143 CO -0.02 0.32 0.04 0.24 -0.34 0.00 0.00 178.44 178.68 2br2 h MET 144 N 0.54 0.57 -0.65 1.25 2.86 -0.77 0.08 114.93 118.81 2br2 h MET 144 Ca 0.16 -0.16 0.08 0.00 -2.06 0.00 0.00 59.70 57.72 2br2 h MET 144 Cb -0.03 -0.06 -0.06 0.00 0.06 0.00 0.00 31.60 31.51 2br2 h MET 144 CO -0.06 0.66 0.32 0.00 1.06 0.00 0.00 176.91 178.90 2br2 h ALA 145 N 0.88 0.87 0.17 6.32 0.00 -0.83 0.12 119.26 126.79 2br2 h ALA 145 Ca 0.10 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 2br2 h ALA 145 Cb 0.38 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 2br2 h ALA 145 CO 0.01 -0.06 -0.11 0.00 0.00 0.00 0.00 179.25 179.09 2br2 h ALA 146 N 1.38 -0.26 -0.69 0.00 0.00 -0.79 0.14 119.26 119.05 2br2 h ALA 146 Ca 0.31 -0.05 0.14 0.00 0.00 0.00 0.00 54.91 55.31 2br2 h ALA 146 Cb 0.29 0.14 -0.10 0.00 0.00 0.00 0.00 17.79 18.12 2br2 h ALA 146 CO -0.24 -0.66 0.19 1.03 0.00 0.00 0.00 179.25 179.57 2br2 h SER 147 N -0.28 0.07 0.33 0.00 0.87 -0.30 0.00 113.55 114.25 2br2 h SER 147 Ca -0.01 0.13 -0.18 0.00 -1.23 0.00 0.00 61.79 60.49 2br2 h SER 147 Cb 0.24 0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.35 2br2 h SER 147 CO 0.01 0.01 -0.72 -0.07 -0.53 0.00 0.00 176.83 175.53 2br2 h LEU 148 N 0.31 0.40 -0.90 2.23 3.38 -0.66 -1.70 115.31 118.36 2br2 h LEU 148 Ca 0.38 -0.26 -0.08 0.00 0.09 0.00 0.00 57.88 58.00 2br2 h LEU 148 Cb 0.60 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 2br2 h LEU 148 CO -0.45 0.99 -0.06 0.00 0.09 0.00 0.00 178.44 179.01 2br2 h ALA 149 N 1.00 1.08 -0.55 1.53 0.00 0.21 0.96 119.26 123.49 2br2 h ALA 149 Ca -0.03 -0.29 -0.06 0.00 0.00 0.00 0.00 54.91 54.54 2br2 h ALA 149 Cb 1.29 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 2br2 h ALA 149 CO 0.12 0.57 0.11 -0.07 0.00 0.00 0.00 179.25 179.98 2br2 h LEU 150 N 0.68 0.85 -0.38 0.00 3.38 -0.78 0.09 115.31 119.15 2br2 h LEU 150 Ca 0.13 -0.25 -0.00 0.00 0.09 0.00 0.00 57.88 57.85 2br2 h LEU 150 Cb 0.51 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 2br2 h LEU 150 CO 0.03 0.88 0.24 0.00 0.09 0.00 0.00 178.44 179.67 2br2 h ALA 151 N 1.00 0.49 -0.50 1.53 0.00 -1.01 -1.72 119.26 119.05 2br2 h ALA 151 Ca 0.17 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.08 2br2 h ALA 151 Cb 0.37 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 2br2 h ALA 151 CO 0.01 -0.03 0.33 0.22 0.00 0.00 0.00 179.25 179.78 2br2 h ASP 152 N 0.51 0.42 0.78 0.00 3.58 -0.47 0.49 116.42 121.73 2br2 h ASP 152 Ca 0.14 -0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.59 2br2 h ASP 152 Cb -0.02 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 40.94 2br2 h ASP 152 CO -0.03 0.28 0.00 0.00 -2.88 0.00 0.00 179.24 176.62 2br2 n ALA 153 N -2.49 2.35 -1.29 -0.78 0.00 -0.01 -4.72 120.51 113.56 2br2 n ALA 153 Ca 0.06 -0.11 -0.04 0.00 0.00 0.00 0.00 53.44 53.34 2br2 n ALA 153 Cb 0.20 -1.46 -0.02 0.00 0.00 0.00 0.00 19.45 18.18 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 1.29 0.62 3.67 0.00 0.00 0.16 -4.89 105.19 106.05 2br2 n GLY 154 Ca 0.10 -0.84 -0.42 0.00 0.00 0.00 0.00 46.02 44.85 2br2 n GLY 154 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2br2 s ILE 155 N -2.17 4.77 0.23 -0.61 1.01 -0.69 -5.00 121.20 118.74 2br2 s ILE 155 Ca 0.00 1.93 -0.30 0.00 0.00 0.00 0.00 60.65 62.28 2br2 s ILE 155 Cb 0.00 -4.27 -0.10 0.00 0.01 0.00 0.00 42.46 38.10 2br2 s ILE 155 CO 0.00 -0.06 1.51 -2.84 0.00 0.00 0.00 174.94 173.55 2br2 s PRO 156 N 2.49 4.22 0.16 2.79 0.02 -1.26 -4.53 135.00 138.89 2br2 s PRO 156 Ca 0.44 2.37 0.01 0.00 0.02 0.00 0.00 61.00 63.84 2br2 s PRO 156 Cb -0.17 -3.11 -0.04 0.00 0.02 0.00 0.00 34.50 31.20 2br2 s PRO 156 CO 0.12 -0.52 0.02 -1.64 -0.33 0.00 0.00 177.00 174.65 2br2 s MET 157 N 0.07 1.03 0.23 5.54 -1.94 -1.26 -1.92 119.30 121.05 2br2 s MET 157 Ca 0.63 -1.49 -0.04 0.00 -1.71 0.00 0.00 55.69 53.08 2br2 s MET 157 Cb -0.44 -0.10 0.25 0.00 2.01 0.00 0.00 34.83 36.55 2br2 s MET 157 CO 0.40 -0.17 1.73 0.00 -0.01 0.00 0.00 175.02 176.97 2br2 h ARG 158 N 2.76 0.90 -1.70 2.03 3.08 -0.60 -3.47 114.38 117.38 2br2 h ARG 158 Ca -0.36 -0.25 0.27 0.00 0.07 0.00 0.00 59.98 59.71 2br2 h ARG 158 Cb 1.20 -0.10 -0.12 0.00 0.08 0.00 0.00 29.97 31.03 2br2 h ARG 158 CO 0.62 0.88 0.73 0.34 -1.07 0.00 0.00 179.97 181.47 2br2 s ASP 159 N -6.61 -0.11 0.78 7.04 2.15 -1.26 -5.02 116.67 113.65 2br2 s ASP 159 Ca -0.10 -0.18 -0.11 0.00 0.43 0.00 0.00 52.55 52.59 2br2 s ASP 159 Cb 0.14 0.25 0.06 0.00 -0.30 0.00 0.00 42.92 43.07 2br2 s ASP 159 CO 0.83 -0.45 1.09 -0.76 -0.17 0.00 0.00 175.17 175.70 2br2 s LEU 160 N -2.85 2.74 -0.15 -1.34 1.43 -1.26 -4.94 118.68 112.31 2br2 s LEU 160 Ca 0.13 1.47 -0.01 0.00 -1.03 0.00 0.00 54.13 54.68 2br2 s LEU 160 Cb 0.02 -4.13 -0.01 0.00 0.03 0.00 0.00 46.19 42.10 2br2 s LEU 160 CO -0.03 -1.93 -0.11 -0.63 0.23 0.00 0.00 176.35 173.89 2br2 s ILE 161 N -3.07 3.14 -0.01 -0.59 1.01 -1.26 -4.12 121.20 116.30 2br2 s ILE 161 Ca 0.60 -0.61 0.07 0.00 0.00 0.00 0.00 60.65 60.71 2br2 s ILE 161 Cb -0.15 -2.35 -0.02 0.00 0.01 0.00 0.00 42.46 39.95 2br2 s ILE 161 CO 0.55 0.50 -0.22 0.00 0.00 0.00 0.00 174.94 175.77 2br2 s ALA 162 N 0.64 1.80 -0.01 9.38 0.00 -0.37 -4.62 121.76 128.58 2br2 s ALA 162 Ca -0.06 -0.95 -0.08 0.00 0.00 0.00 0.00 51.96 50.87 2br2 s ALA 162 Cb -0.15 -0.45 0.01 0.00 0.00 0.00 0.00 23.12 22.53 2br2 s ALA 162 CO 0.03 0.44 0.17 0.20 0.00 0.00 0.00 175.76 176.59 2br2 s GLY 163 N -0.58 -0.01 0.01 0.00 0.00 -1.26 -0.75 107.32 104.74 2br2 s GLY 163 Ca 0.08 0.02 -0.06 0.00 0.00 0.00 0.00 44.72 44.76 2br2 s GLY 163 CO -0.01 -0.12 0.10 -1.34 0.00 0.00 0.00 173.10 171.73 2br2 s VAL 164 N -1.18 0.10 -0.12 1.40 -7.23 -0.47 -4.91 120.40 107.99 2br2 s VAL 164 Ca -0.13 -0.83 -0.20 0.00 -1.81 0.00 0.00 61.98 59.02 2br2 s VAL 164 Cb -0.06 -0.52 -0.04 0.00 0.56 0.00 0.00 36.38 36.32 2br2 s VAL 164 CO 0.02 -0.45 0.55 0.00 -0.31 0.00 0.00 175.10 174.90 2br2 s ALA 165 N -1.71 3.45 0.27 1.32 0.00 -1.26 -1.19 121.76 122.65 2br2 s ALA 165 Ca -0.13 -0.14 0.08 0.00 0.00 0.00 0.00 51.96 51.78 2br2 s ALA 165 Cb -0.06 -2.76 -0.04 0.00 0.00 0.00 0.00 23.12 20.25 2br2 s ALA 165 CO -0.00 -0.11 0.11 0.54 0.00 0.00 0.00 175.76 176.30 2br2 s VAL 166 N 0.87 3.81 0.00 0.00 0.11 -0.55 0.42 120.40 125.06 2br2 s VAL 166 Ca 0.29 -1.65 0.00 0.00 -2.93 0.00 0.00 61.98 57.69 2br2 s VAL 166 Cb -0.16 -3.11 0.00 0.00 -1.53 0.00 0.00 36.38 31.58 2br2 s VAL 166 CO 0.12 -0.33 0.00 0.61 -3.33 0.00 0.00 175.10 172.17 2br2 n GLY 167 N -1.07 1.45 2.91 6.54 0.00 -0.05 0.34 105.19 115.32 2br2 n GLY 167 Ca -0.06 -0.88 -0.25 0.00 0.00 0.00 0.00 46.02 44.83 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 -1.46 1.33 0.00 1.61 2.20 -1.05 -0.67 119.74 121.70 2br2 s LYS 168 Ca 0.00 -0.21 0.00 0.00 -0.36 0.00 0.00 55.97 55.40 2br2 s LYS 168 Cb 0.00 -1.35 0.00 0.00 -1.51 0.00 0.00 37.83 34.97 2br2 s LYS 168 CO 0.00 -0.18 0.00 0.00 -0.36 0.00 0.00 175.35 174.81 2br2 n ALA 169 N 4.60 0.00 -2.94 3.13 0.00 0.34 -0.72 120.51 124.92 2br2 n ALA 169 Ca -0.16 -0.03 -0.27 0.00 0.00 0.00 0.00 53.44 52.99 2br2 n ALA 169 Cb 0.50 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 -1.56 4.31 0.00 0.00 8.00 -1.26 -4.26 116.55 121.78 2br2 n ASP 170 Ca 0.00 -3.65 0.00 0.00 0.71 0.00 0.00 54.79 51.85 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 -0.23 2.00 3.72 0.44 0.00 -1.26 -5.01 105.19 104.84 2br2 n GLY 171 Ca 0.31 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.98 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 -3.28 5.16 -0.14 1.61 1.01 -1.26 -5.07 120.40 118.43 2br2 s VAL 172 Ca 0.00 0.10 -0.29 0.00 0.00 0.00 0.00 61.98 61.79 2br2 s VAL 172 Cb 0.00 -3.33 -0.01 0.00 0.00 0.00 0.00 36.38 33.05 2br2 s VAL 172 CO 0.00 0.48 0.98 -0.63 0.00 0.00 0.00 175.10 175.93 2br2 s ILE 173 N 0.12 4.78 0.16 2.22 1.01 -1.26 -0.50 121.20 127.73 2br2 s ILE 173 Ca 0.07 1.97 0.07 0.00 0.00 0.00 0.00 60.65 62.76 2br2 s ILE 173 Cb -0.12 -4.28 -0.04 0.00 0.01 0.00 0.00 42.46 38.03 2br2 s ILE 173 CO -0.00 -0.03 -0.15 0.27 0.00 0.00 0.00 174.94 175.03 2br2 s ILE 174 N 2.26 1.55 -0.13 2.92 -4.36 0.16 -4.80 121.20 118.80 2br2 s ILE 174 Ca 0.46 -1.95 -0.01 0.00 -0.26 0.00 0.00 60.65 58.89 2br2 s ILE 174 Cb -0.17 -1.79 -0.02 0.00 1.25 0.00 0.00 42.46 41.73 2br2 s ILE 174 CO 0.15 -0.48 -0.09 -0.22 0.24 0.00 0.00 174.94 174.53 2br2 s LEU 175 N -2.83 2.94 -0.29 0.37 2.96 0.26 -0.87 118.68 121.22 2br2 s LEU 175 Ca 0.15 -0.22 -0.04 0.00 -0.22 0.00 0.00 54.13 53.80 2br2 s LEU 175 Cb -0.03 -1.67 0.01 0.00 0.50 0.00 0.00 46.19 44.99 2br2 s LEU 175 CO 0.05 0.20 0.15 -0.67 -1.32 0.00 0.00 176.35 174.76 2br2 n ASP 176 N 3.31 -7.12 -4.77 3.68 2.03 0.17 -4.67 116.55 109.19 2br2 n ASP 176 Ca -0.18 1.00 -0.39 0.00 0.52 0.00 0.00 54.79 55.75 2br2 n ASP 176 Cb 0.53 -4.71 -0.06 0.00 -0.72 0.00 0.00 41.12 36.15 2br2 n ASP 176 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2br2 s LEU 177 N -1.68 4.53 1.06 -2.67 1.43 -1.24 -4.76 118.68 115.36 2br2 s LEU 177 Ca 0.06 1.86 -0.12 0.00 -1.03 0.00 0.00 54.13 54.90 2br2 s LEU 177 Cb -0.02 -3.71 0.21 0.00 0.03 0.00 0.00 46.19 42.70 2br2 s LEU 177 CO 0.66 0.08 0.96 0.59 0.23 0.00 0.00 176.35 178.88 2br2 n ASN 178 N 1.16 -1.02 -0.35 2.29 5.03 -1.26 -4.58 115.26 116.53 2br2 n ASN 178 Ca -0.01 0.09 -0.03 0.00 0.87 0.00 0.00 54.58 55.50 2br2 n ASN 178 Cb 0.48 -1.32 0.09 0.00 -1.02 0.00 0.00 39.78 38.02 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 -2.29 1.23 -0.54 3.52 4.81 -1.90 -0.17 114.58 119.23 2br2 h GLU 179 Ca -0.53 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 58.62 2br2 h GLU 179 Cb 1.31 -0.27 -0.03 0.00 0.63 0.00 0.00 28.75 30.39 2br2 h GLU 179 CO 0.44 0.83 0.34 1.15 -0.73 0.00 0.00 179.01 181.04 2br2 h THR 180 N 1.26 1.15 -0.28 0.32 2.02 -1.93 0.12 112.91 115.57 2br2 h THR 180 Ca 0.34 -0.32 -0.17 0.00 0.77 0.00 0.00 66.41 67.03 2br2 h THR 180 Cb -0.12 0.39 -0.00 0.00 -1.74 0.00 0.00 68.15 66.67 2br2 h THR 180 CO -0.07 0.15 -0.50 -0.33 0.37 0.00 0.00 175.52 175.15 2br2 h GLU 181 N 0.73 0.78 -0.38 6.66 5.08 -1.89 -1.44 114.58 124.13 2br2 h GLU 181 Ca 0.20 -0.46 0.05 0.00 -1.00 0.00 0.00 59.36 58.14 2br2 h GLU 181 Cb -0.05 0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.20 2br2 h GLU 181 CO -0.04 1.09 0.11 0.22 -1.00 0.00 0.00 179.01 179.39 2br2 h ASP 182 N 0.61 0.08 -0.32 1.42 1.82 -0.74 0.75 116.42 120.05 2br2 h ASP 182 Ca 0.03 0.05 -0.08 0.00 -0.39 0.00 0.00 57.03 56.64 2br2 h ASP 182 Cb 1.08 0.05 -0.01 0.00 0.68 0.00 0.00 39.33 41.13 2br2 h ASP 182 CO 0.11 0.08 -0.11 -0.03 -1.61 0.00 0.00 179.24 177.68 2br2 h MET 183 N 0.25 0.64 0.00 0.28 4.05 -0.80 -3.36 114.93 116.00 2br2 h MET 183 Ca 0.18 -0.26 0.00 0.00 -0.28 0.00 0.00 59.70 59.33 2br2 h MET 183 Cb 0.18 -0.03 0.00 0.00 -0.80 0.00 0.00 31.60 30.95 2br2 h MET 183 CO -0.20 0.84 -0.44 0.91 0.23 0.00 0.00 176.91 178.24 2br2 n TRP 184 N -4.41 0.00 -1.06 1.39 7.02 -0.56 -5.03 117.44 114.79 2br2 n TRP 184 Ca -0.03 0.00 -0.29 0.00 -1.02 0.00 0.00 57.50 56.16 2br2 n TRP 184 Cb 0.36 -0.01 0.21 0.00 -2.42 0.00 0.00 31.31 29.44 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 -1.85 1.56 0.19 6.99 0.00 0.25 -4.99 107.32 109.47 2br2 s GLY 185 Ca 0.03 -0.51 0.17 0.00 0.00 0.00 0.00 44.72 44.41 2br2 s GLY 185 CO 0.35 0.20 1.13 0.83 0.00 0.00 0.00 173.10 175.61 2br2 h GLU 186 N -2.21 0.00 -2.77 2.90 3.07 -1.10 -3.48 114.58 110.99 2br2 h GLU 186 Ca -0.53 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 -0.20 0.00 -0.84 0.00 0.00 28.75 29.04 2br2 h GLU 186 CO 0.51 0.30 -0.16 0.00 -1.40 0.00 0.00 179.01 178.26 2br2 s ALA 187 N -3.02 -1.04 -0.05 3.43 0.00 -1.21 -0.87 121.76 119.01 2br2 s ALA 187 Ca 0.01 0.60 -0.02 0.00 0.00 0.00 0.00 51.96 52.54 2br2 s ALA 187 Cb 0.08 0.03 0.03 0.00 0.00 0.00 0.00 23.12 23.27 2br2 s ALA 187 CO 0.77 -0.29 0.08 0.34 0.00 0.00 0.00 175.76 176.67 2br2 s ASP 188 N -1.25 1.09 -0.49 0.00 2.15 0.25 -2.55 116.67 115.89 2br2 s ASP 188 Ca -0.13 0.11 0.03 0.00 0.43 0.00 0.00 52.55 53.00 2br2 s ASP 188 Cb -0.04 -0.07 0.15 0.00 -0.30 0.00 0.00 42.92 42.66 2br2 s ASP 188 CO 0.06 -0.25 0.32 -0.32 -0.17 0.00 0.00 175.17 174.81 2br2 s MET 189 N 2.19 1.40 0.18 4.34 -2.45 0.15 -0.90 119.30 124.21 2br2 s MET 189 Ca 0.05 -2.29 -0.31 0.00 -1.25 0.00 0.00 55.69 51.88 2br2 s MET 189 Cb -0.12 -2.25 -0.10 0.00 1.25 0.00 0.00 34.83 33.61 2br2 s MET 189 CO -0.03 -1.26 1.49 -1.25 1.05 0.00 0.00 175.02 175.01 2br2 s PRO 190 N -0.09 4.26 -0.03 4.11 0.04 -1.06 -1.48 135.00 140.74 2br2 s PRO 190 Ca 0.24 2.27 0.02 0.00 0.04 0.00 0.00 61.00 63.57 2br2 s PRO 190 Cb -0.12 -3.16 0.01 0.00 0.04 0.00 0.00 34.50 31.27 2br2 s PRO 190 CO -0.09 -0.51 -0.06 0.42 0.04 0.00 0.00 177.00 176.81 2br2 s ILE 191 N 0.78 0.54 -0.01 0.56 1.01 -0.33 -1.84 121.20 121.90 2br2 s ILE 191 Ca 0.65 -0.19 0.03 0.00 0.00 0.00 0.00 60.65 61.14 2br2 s ILE 191 Cb -0.42 -0.52 -0.00 0.00 0.01 0.00 0.00 42.46 41.53 2br2 s ILE 191 CO 0.35 0.20 -0.09 0.00 0.00 0.00 0.00 174.94 175.39 2br2 s ALA 192 N 0.46 0.82 0.13 9.38 0.00 -0.07 -1.37 121.76 131.11 2br2 s ALA 192 Ca -0.06 -0.39 0.02 0.00 0.00 0.00 0.00 51.96 51.53 2br2 s ALA 192 Cb -0.10 -0.24 -0.04 0.00 0.00 0.00 0.00 23.12 22.74 2br2 s ALA 192 CO 0.00 0.18 -0.06 -1.64 0.00 0.00 0.00 175.76 174.24 2br2 s MET 193 N -0.10 0.95 -0.83 0.00 1.00 0.07 -0.18 119.30 120.21 2br2 s MET 193 Ca 0.02 -1.41 -0.18 0.00 0.00 0.00 0.00 55.69 54.11 2br2 s MET 193 Cb -0.05 -0.33 0.13 0.00 0.00 0.00 0.00 34.83 34.58 2br2 s MET 193 CO -0.00 -0.02 0.98 -1.64 0.00 0.00 0.00 175.02 174.35 2br2 s MET 194 N -3.83 3.45 0.32 2.03 -1.94 0.01 -1.24 119.30 118.11 2br2 s MET 194 Ca 0.16 -1.69 0.01 0.00 -1.71 0.00 0.00 55.69 52.45 2br2 s MET 194 Cb 0.05 -4.65 0.55 0.00 2.01 0.00 0.00 34.83 32.78 2br2 s MET 194 CO -0.02 -1.67 1.95 -1.35 -0.01 0.00 0.00 175.02 173.93 2br2 h PRO 195 N 8.81 0.97 0.00 2.03 0.11 -1.83 -1.15 132.00 140.94 2br2 h PRO 195 Ca 0.02 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 66.05 2br2 h PRO 195 Cb 1.04 -0.22 -0.00 0.00 0.11 0.00 0.00 31.00 31.93 2br2 h PRO 195 CO 1.06 0.64 -0.13 0.77 -0.21 0.00 0.00 178.00 180.12 2br2 h SER 196 N 1.00 0.00 -0.02 -2.05 0.02 -1.93 -2.68 113.55 107.89 2br2 h SER 196 Ca 0.32 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.27 2br2 h SER 196 Cb 0.05 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.59 2br2 h SER 196 CO -0.10 0.13 -0.43 0.18 -1.14 0.00 0.00 176.83 175.48 2br2 n LEU 197 N -4.03 2.06 -3.45 5.07 4.77 -0.49 -4.97 117.00 115.97 2br2 n LEU 197 Ca -0.02 -0.78 -0.25 0.00 -0.03 0.00 0.00 56.01 54.93 2br2 n LEU 197 Cb 0.22 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.32 2br2 n LEU 197 CO 0.33 0.38 0.01 0.59 -1.33 0.00 0.00 177.39 177.37 2br2 n ASN 198 N 0.06 -4.57 -4.51 -1.43 5.03 -0.88 -4.97 115.26 103.99 2br2 n ASN 198 Ca 0.09 -0.48 -0.34 0.00 0.87 0.00 0.00 54.58 54.72 2br2 n ASN 198 Cb 0.46 -3.72 -0.12 0.00 -1.02 0.00 0.00 39.78 35.39 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 -6.13 3.72 -0.23 3.52 -1.52 -1.14 -5.00 119.66 112.88 2br2 s GLN 199 Ca 0.46 -0.48 -0.23 0.00 -1.95 0.00 0.00 55.36 53.16 2br2 s GLN 199 Cb -0.23 -3.06 -0.01 0.00 -0.22 0.00 0.00 33.01 29.49 2br2 s GLN 199 CO 0.56 0.15 0.76 0.08 -0.25 0.00 0.00 175.29 176.59 2br2 s VAL 200 N 0.65 4.89 -0.12 1.09 1.01 -1.26 -0.81 120.40 125.86 2br2 s VAL 200 Ca -0.00 1.44 -0.12 0.00 0.00 0.00 0.00 61.98 63.30 2br2 s VAL 200 Cb -0.14 -4.06 -0.26 0.00 0.00 0.00 0.00 36.38 31.92 2br2 s VAL 200 CO 0.02 -0.02 0.43 0.74 0.00 0.00 0.00 175.10 176.27 2br2 h THR 201 N 5.38 0.81 -3.71 3.92 2.02 -0.91 -3.48 112.91 116.96 2br2 h THR 201 Ca -0.25 -2.35 -0.32 0.00 0.77 0.00 0.00 66.41 64.25 2br2 h THR 201 Cb 1.11 2.55 -0.31 0.00 -1.74 0.00 0.00 68.15 69.76 2br2 h THR 201 CO 0.84 0.76 -0.75 -0.22 0.37 0.00 0.00 175.52 176.52 2br2 s LEU 202 N -7.34 1.68 -0.22 2.58 0.20 -0.93 -4.22 118.68 110.44 2br2 s LEU 202 Ca -0.22 -0.06 -0.04 0.00 0.69 0.00 0.00 54.13 54.51 2br2 s LEU 202 Cb 0.06 -0.22 0.12 0.00 -0.43 0.00 0.00 46.19 45.71 2br2 s LEU 202 CO 0.75 -0.01 0.35 0.12 -0.29 0.00 0.00 176.35 177.28 2br2 s PHE 203 N 0.35 -0.72 0.01 5.38 5.36 -1.26 -0.89 117.98 126.22 2br2 s PHE 203 Ca -0.03 0.88 0.01 0.00 -0.96 0.00 0.00 56.93 56.82 2br2 s PHE 203 Cb -0.07 0.01 -0.01 0.00 -0.34 0.00 0.00 43.02 42.61 2br2 s PHE 203 CO -0.01 -0.64 -0.04 -0.65 -1.46 0.00 0.00 175.22 172.43 2br2 s GLN 204 N 2.52 0.33 -0.08 10.12 -0.21 -0.77 -5.05 119.66 126.52 2br2 s GLN 204 Ca 0.09 -0.39 0.01 0.00 0.02 0.00 0.00 55.36 55.09 2br2 s GLN 204 Cb -0.15 -0.17 0.02 0.00 1.00 0.00 0.00 33.01 33.71 2br2 s GLN 204 CO -0.14 0.04 -0.09 -1.17 -2.12 0.00 0.00 175.29 171.80 2br2 s LEU 205 N -0.77 1.42 0.05 2.90 2.96 -1.26 -2.56 118.68 121.42 2br2 s LEU 205 Ca -0.06 -0.26 0.07 0.00 -0.22 0.00 0.00 54.13 53.66 2br2 s LEU 205 Cb -0.05 -0.75 -0.03 0.00 0.50 0.00 0.00 46.19 45.85 2br2 s LEU 205 CO -0.00 -0.03 -0.14 0.54 -1.32 0.00 0.00 176.35 175.39 2br2 s ASN 206 N 1.05 4.08 0.00 3.68 2.20 -0.08 -5.00 114.94 120.87 2br2 s ASN 206 Ca -0.08 -0.38 0.00 0.00 -0.94 0.00 0.00 52.86 51.47 2br2 s ASN 206 Cb -0.14 -0.74 0.00 0.00 -2.00 0.00 0.00 41.25 38.37 2br2 s ASN 206 CO -0.01 0.24 0.00 0.61 -2.94 0.00 0.00 177.10 175.00 2br2 n GLY 207 N 1.32 0.62 3.47 0.45 0.00 -1.26 -0.58 105.19 109.20 2br2 n GLY 207 Ca -0.15 -1.73 -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 -0.70 -0.03 1.61 0.15 -0.04 -4.95 113.70 105.73 2br2 s SER 208 Ca 0.00 1.20 -0.17 0.00 0.70 0.00 0.00 55.95 57.68 2br2 s SER 208 Cb 0.00 1.11 0.03 0.00 -1.71 0.00 0.00 66.02 65.46 2br2 s SER 208 CO 0.00 -0.21 0.38 -0.04 1.20 0.00 0.00 173.24 174.57 2br2 s MET 209 N 1.20 0.72 0.54 5.44 -1.94 -1.26 -4.41 119.30 119.59 2br2 s MET 209 Ca -0.07 -0.06 -0.16 0.00 -1.71 0.00 0.00 55.69 53.69 2br2 s MET 209 Cb -0.06 0.33 -0.06 0.00 2.01 0.00 0.00 34.83 37.04 2br2 s MET 209 CO -0.12 -0.20 1.01 0.95 -0.01 0.00 0.00 175.02 176.66 2br2 s THR 210 N -1.18 4.28 0.29 2.05 -4.23 -1.26 -4.86 115.64 110.74 2br2 s THR 210 Ca -0.12 1.08 0.04 0.00 -1.18 0.00 0.00 61.69 61.52 2br2 s THR 210 Cb -0.04 -3.60 0.29 0.00 1.34 0.00 0.00 72.50 70.48 2br2 s THR 210 CO 0.05 -0.63 1.75 -0.65 -0.54 0.00 0.00 174.62 174.60 2br2 h PRO 211 N 0.72 0.62 -0.08 3.99 0.11 -2.01 0.14 132.00 135.49 2br2 h PRO 211 Ca -0.47 -0.04 0.01 0.00 0.11 0.00 0.00 66.00 65.61 2br2 h PRO 211 Cb 1.20 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 2br2 h PRO 211 CO 0.60 0.41 0.03 -0.44 -0.21 0.00 0.00 178.00 178.39 2br2 h ASP 212 N 0.64 0.04 -0.86 -2.05 3.32 -1.99 -0.41 116.42 115.10 2br2 h ASP 212 Ca 0.56 0.01 0.02 0.00 0.02 0.00 0.00 57.03 57.63 2br2 h ASP 212 Cb 0.92 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.43 2br2 h ASP 212 CO -0.42 0.04 0.57 -0.33 -1.72 0.00 0.00 179.24 177.37 2br2 h GLU 213 N 0.07 1.10 -0.58 3.56 5.08 -1.68 -0.45 114.58 121.68 2br2 h GLU 213 Ca 0.03 -0.07 0.01 0.00 -1.00 0.00 0.00 59.36 58.34 2br2 h GLU 213 Cb 0.01 -0.25 -0.03 0.00 0.50 0.00 0.00 28.75 28.98 2br2 h GLU 213 CO -0.03 0.73 0.37 0.35 -1.00 0.00 0.00 179.01 179.43 2br2 h PHE 214 N 1.14 0.71 -0.37 4.33 3.57 -0.40 -0.09 116.94 125.83 2br2 h PHE 214 Ca 0.33 0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.73 2br2 h PHE 214 Cb -0.08 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 38.41 2br2 h PHE 214 CO -0.01 0.43 -0.23 0.00 -2.23 0.00 0.00 178.31 176.27 2br2 h ARG 215 N 0.76 0.74 0.02 1.11 3.08 -0.44 -1.27 114.38 118.37 2br2 h ARG 215 Ca 0.22 -0.30 -0.00 0.00 0.07 0.00 0.00 59.98 59.97 2br2 h ARG 215 Cb -0.05 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 29.97 2br2 h ARG 215 CO -0.07 0.90 -0.01 1.96 -1.07 0.00 0.00 179.97 181.69 2br2 h GLN 216 N 0.64 -0.02 -0.60 0.04 4.20 -0.68 -2.44 115.11 116.26 2br2 h GLN 216 Ca 0.09 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.80 2br2 h GLN 216 Cb 0.73 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.49 2br2 h GLN 216 CO 0.06 0.18 0.38 0.00 -0.67 0.00 0.00 178.83 178.78 2br2 h ALA 217 N 0.76 0.77 -0.54 3.87 0.00 -0.97 -1.91 119.26 121.25 2br2 h ALA 217 Ca -0.00 -0.06 0.08 0.00 0.00 0.00 0.00 54.91 54.93 2br2 h ALA 217 Cb 0.21 -0.24 -0.07 0.00 0.00 0.00 0.00 17.79 17.69 2br2 h ALA 217 CO 0.00 0.22 0.16 0.35 0.00 0.00 0.00 179.25 179.99 2br2 h PHE 218 N 0.82 0.28 -0.89 0.00 3.57 -1.21 0.41 116.94 119.92 2br2 h PHE 218 Ca 0.22 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.75 2br2 h PHE 218 Cb -0.06 -0.04 -0.04 0.00 2.79 0.00 0.00 35.95 38.59 2br2 h PHE 218 CO -0.03 0.06 0.57 -0.44 -2.23 0.00 0.00 178.31 176.24 2br2 h ASP 219 N 0.33 1.04 -0.49 0.41 3.32 -0.89 -2.49 116.42 117.64 2br2 h ASP 219 Ca 0.27 -0.04 -0.07 0.00 0.02 0.00 0.00 57.03 57.21 2br2 h ASP 219 Cb 0.33 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.60 2br2 h ASP 219 CO -0.30 0.77 0.04 0.25 -1.72 0.00 0.00 179.24 178.27 2br2 h LEU 220 N 1.21 0.81 -0.91 1.55 5.85 -0.55 -2.85 115.31 120.42 2br2 h LEU 220 Ca 0.32 -0.29 0.05 0.00 0.84 0.00 0.00 57.88 58.80 2br2 h LEU 220 Cb -0.11 -0.22 -0.06 0.00 0.37 0.00 0.00 40.66 40.64 2br2 h LEU 220 CO -0.07 0.90 0.58 0.00 -0.34 0.00 0.00 178.44 179.51 2br2 h ALA 221 N 0.94 1.22 -0.71 1.25 0.00 -0.64 -1.80 119.26 119.52 2br2 h ALA 221 Ca 0.14 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.04 2br2 h ALA 221 Cb 0.46 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 2br2 h ALA 221 CO 0.02 0.40 0.46 0.28 0.00 0.00 0.00 179.25 180.41 2br2 h VAL 222 N 1.10 1.16 -0.60 0.00 2.07 -1.23 0.21 116.25 118.95 2br2 h VAL 222 Ca 0.38 -0.32 -0.05 0.00 0.82 0.00 0.00 66.70 67.52 2br2 h VAL 222 Cb 0.08 0.14 -0.03 0.00 -1.52 0.00 0.00 31.29 29.96 2br2 h VAL 222 CO -0.14 0.17 0.17 0.11 0.02 0.00 0.00 177.57 177.90 2br2 h LYS 223 N 0.94 0.95 0.16 1.57 1.57 -1.23 -0.71 116.57 119.81 2br2 h LYS 223 Ca 0.26 -0.22 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 2br2 h LYS 223 Cb -0.08 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.10 2br2 h LYS 223 CO -0.07 0.86 -0.07 0.78 -0.57 0.00 0.00 179.45 180.38 2br2 h GLY 224 N 0.87 -0.22 0.46 3.86 0.00 -0.95 -2.96 103.07 104.13 2br2 h GLY 224 Ca 0.19 0.08 0.11 0.00 0.00 0.00 0.00 47.33 47.71 2br2 h GLY 224 CO -0.00 -0.08 0.46 -2.22 0.00 0.00 0.00 176.54 174.70 2br2 h ILE 225 N -0.31 0.87 -0.56 2.60 2.04 -0.30 -1.34 117.51 120.52 2br2 h ILE 225 Ca -0.02 -0.26 -0.03 0.00 1.00 0.00 0.00 64.86 65.55 2br2 h ILE 225 Cb 0.24 0.05 -0.03 0.00 -0.74 0.00 0.00 36.82 36.35 2br2 h ILE 225 CO 0.04 0.14 0.22 0.78 0.00 0.00 0.00 178.15 179.32 2br2 h ASN 226 N 0.75 0.74 -0.23 1.72 2.35 -1.05 0.32 115.58 120.19 2br2 h ASN 226 Ca 0.41 -0.09 -0.05 0.00 -0.55 0.00 0.00 56.30 56.02 2br2 h ASN 226 Cb 0.42 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.60 2br2 h ASN 226 CO -0.27 0.67 -0.04 0.40 -1.65 0.00 0.00 177.43 176.54 2br2 h ILE 227 N 0.80 1.28 -0.94 2.81 2.04 -1.11 -2.53 117.51 119.86 2br2 h ILE 227 Ca 0.19 -1.01 0.02 0.00 1.00 0.00 0.00 64.86 65.06 2br2 h ILE 227 Cb 0.17 1.47 -0.05 0.00 -0.74 0.00 0.00 36.82 37.67 2br2 h ILE 227 CO -0.02 0.31 0.62 0.40 0.00 0.00 0.00 178.15 179.46 2br2 h ILE 228 N 0.18 1.21 -0.55 -0.67 2.04 -1.04 -2.72 117.51 115.96 2br2 h ILE 228 Ca 0.06 -0.42 0.02 0.00 1.00 0.00 0.00 64.86 65.51 2br2 h ILE 228 Cb 0.48 -0.13 -0.03 0.00 -0.74 0.00 0.00 36.82 36.40 2br2 h ILE 228 CO 0.02 0.23 0.35 0.22 0.00 0.00 0.00 178.15 178.97 2br2 h TYR 229 N 1.24 0.66 -0.18 1.37 3.20 -0.79 -0.37 116.97 122.10 2br2 h TYR 229 Ca 0.35 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.23 2br2 h TYR 229 Cb -0.09 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 37.95 2br2 h TYR 229 CO -0.01 0.40 0.05 -0.91 -1.64 0.00 0.00 178.16 176.05 2br2 h ASN 230 N 0.71 0.23 -0.03 -2.11 2.35 -1.14 -0.61 115.58 114.98 2br2 h ASN 230 Ca 0.21 -0.02 -0.21 0.00 -0.55 0.00 0.00 56.30 55.74 2br2 h ASN 230 Cb -0.03 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.28 2br2 h ASN 230 CO -0.07 0.23 -0.74 -0.07 -1.65 0.00 0.00 177.43 175.14 2br2 h LEU 231 N 0.26 0.79 -0.49 1.61 3.38 -1.16 -2.19 115.31 117.51 2br2 h LEU 231 Ca 0.06 -0.51 -0.00 0.00 0.09 0.00 0.00 57.88 57.52 2br2 h LEU 231 Cb 0.10 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 2br2 h LEU 231 CO -0.00 1.29 0.29 -0.33 0.09 0.00 0.00 178.44 179.77 2br2 h GLU 232 N 0.47 0.66 -0.60 1.13 5.08 -0.41 0.42 114.58 121.33 2br2 h GLU 232 Ca -0.04 -0.06 0.04 0.00 -1.00 0.00 0.00 59.36 58.30 2br2 h GLU 232 Cb 1.34 -0.14 -0.05 0.00 0.50 0.00 0.00 28.75 30.41 2br2 h GLU 232 CO 0.14 0.49 0.34 0.00 -1.00 0.00 0.00 179.01 178.99 2br2 h ARG 233 N 0.65 0.63 -0.36 2.33 3.08 -1.07 -1.95 114.38 117.68 2br2 h ARG 233 Ca 0.17 -0.04 -0.04 0.00 0.07 0.00 0.00 59.98 60.14 2br2 h ARG 233 Cb 0.01 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 29.90 2br2 h ARG 233 CO -0.03 0.42 0.06 1.49 -1.07 0.00 0.00 179.97 180.84 2br2 h GLU 234 N 0.65 0.59 -0.20 0.04 4.57 -1.10 -2.82 114.58 116.30 2br2 h GLU 234 Ca 0.26 -0.15 0.06 0.00 -1.18 0.00 0.00 59.36 58.34 2br2 h GLU 234 Cb 0.12 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.63 2br2 h GLU 234 CO -0.15 0.65 0.15 0.00 -1.18 0.00 0.00 179.01 178.48 2br2 h ALA 235 N 0.91 2.12 -0.35 2.92 0.00 -0.54 -0.29 119.26 124.03 2br2 h ALA 235 Ca 0.11 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.87 2br2 h ALA 235 Cb 0.35 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 2br2 h ALA 235 CO 0.01 -0.25 -0.37 1.25 0.00 0.00 0.00 179.25 179.89 2br2 h LEU 236 N 0.00 0.86 0.01 0.00 5.85 -1.10 0.84 115.31 121.77 2br2 h LEU 236 Ca 0.09 -0.38 -0.00 0.00 0.84 0.00 0.00 57.88 58.44 2br2 h LEU 236 Cb 0.39 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.18 2br2 h LEU 236 CO -0.00 1.13 -0.01 0.11 -0.34 0.00 0.00 178.44 179.33 2br2 h LYS 237 N 0.67 -0.02 -0.00 1.25 1.57 -1.10 -3.39 116.57 115.55 2br2 h LYS 237 Ca 0.06 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 2br2 h LYS 237 Cb 0.92 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.24 2br2 h LYS 237 CO 0.08 0.76 -0.71 -1.13 -0.57 0.00 0.00 179.45 177.88 2br2 n SER 238 N -4.69 0.84 0.00 0.86 3.41 -0.27 -4.96 113.62 108.81 2br2 n SER 238 Ca -0.09 -0.69 0.00 0.00 -0.26 0.00 0.00 58.87 57.83 2br2 n SER 238 Cb 0.38 0.60 0.00 0.00 -0.26 0.00 0.00 64.21 64.93 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 -1.37 0.00 -3.69 4.33 4.01 0.29 -4.92 118.16 116.80 2br2 n LYS 239 Ca 0.05 0.00 -0.11 0.00 -0.51 0.00 0.00 58.31 57.74 2br2 n LYS 239 Cb 0.34 -2.14 -0.11 0.00 -0.51 0.00 0.00 35.03 32.60 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 -2.24 -0.54 -0.03 2.13 5.04 -1.26 -1.13 117.35 119.32 2br2 s TYR 240 Ca 0.00 1.16 -0.01 0.00 -2.44 0.00 0.00 57.07 55.78 2br2 s TYR 240 Cb 0.00 0.18 0.03 0.00 0.35 0.00 0.00 41.96 42.52 2br2 s TYR 240 CO 0.00 -0.34 0.06 0.08 -1.34 0.00 0.00 175.55 174.01 2br2 s VAL 241 N 1.68 -0.05 0.01 3.14 1.01 0.17 -4.83 120.40 121.53 2br2 s VAL 241 Ca -0.07 0.19 0.08 0.00 0.00 0.00 0.00 61.98 62.19 2br2 s VAL 241 Cb -0.10 -0.12 -0.02 0.00 0.00 0.00 0.00 36.38 36.14 2br2 s VAL 241 CO -0.11 0.08 -0.26 -1.61 0.00 0.00 0.00 175.10 173.20 2br2 s GLU 242 N 1.03 1.98 -0.16 2.72 2.02 -1.26 -0.81 118.70 124.22 2br2 s GLU 242 Ca -0.08 -1.01 -0.04 0.00 0.02 0.00 0.00 54.97 53.86 2br2 s GLU 242 Cb -0.12 -2.03 0.08 0.00 0.10 0.00 0.00 34.13 32.17 2br2 s GLU 242 CO -0.04 0.54 0.25 0.12 0.02 0.00 0.00 175.26 176.15 2br2 s PHE 243 N -0.71 -0.38 0.39 1.61 5.36 0.18 -5.00 117.98 119.44 2br2 s PHE 243 Ca 0.11 0.65 -0.24 0.00 -0.96 0.00 0.00 56.93 56.49 2br2 s PHE 243 Cb -0.10 -0.17 -0.09 0.00 -0.34 0.00 0.00 43.02 42.31 2br2 s PHE 243 CO 0.01 -0.47 1.02 -1.59 -1.46 0.00 0.00 175.22 172.73 2br2 s LYS 244 N 2.38 4.22 0.14 10.12 -2.85 -1.26 -0.71 119.74 131.78 2br2 s LYS 244 Ca 0.04 1.44 -0.32 0.00 -1.00 0.00 0.00 55.97 56.13 2br2 s LYS 244 Cb -0.14 -2.52 -0.18 0.00 -2.06 0.00 0.00 37.83 32.93 2br2 s LYS 244 CO -0.10 -0.08 0.73 0.39 0.10 0.00 0.00 175.35 176.39 2br2 n GLU 245 N -0.08 0.07 -3.60 1.78 1.02 -1.26 -4.85 120.64 113.72 2br2 n GLU 245 Ca 0.05 0.02 -0.05 0.00 -0.02 0.00 0.00 57.16 57.16 2br2 n GLU 245 Cb 0.50 -1.21 -0.02 0.00 -0.02 0.00 0.00 31.44 30.70 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 -0.67 0.81 0.31 3.49 -1.05 -1.23 -5.01 118.70 115.36 2br2 s GLU 246 Ca 0.73 -0.37 -0.29 0.00 -0.15 0.00 0.00 54.97 54.89 2br2 s GLU 246 Cb -1.03 0.33 -0.11 0.00 -0.44 0.00 0.00 34.13 32.87 2br2 s GLU 246 CO 0.56 -0.36 1.53 0.20 0.95 0.00 0.00 175.26 178.14 2br2 s GLY 247 N -2.63 2.43 0.00 -3.83 0.00 -1.26 -2.85 107.32 99.18 2br2 s GLY 247 Ca 0.09 1.53 0.19 0.00 0.00 0.00 0.00 44.72 46.52 2br2 s GLY 247 CO -0.05 2.40 1.51 -0.62 0.00 0.00 0.00 173.10 176.34