#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2br2 s GLN 6 N 0.00 4.46 -0.11 3.23 -0.21 -1.26 -4.97 119.66 120.80 2br2 s GLN 6 Ca 0.00 1.95 -0.30 0.00 0.02 0.00 0.00 55.36 57.04 2br2 s GLN 6 Cb 0.00 -3.21 -0.03 0.00 1.00 0.00 0.00 33.01 30.78 2br2 s GLN 6 CO 0.00 -0.12 1.25 0.08 -2.12 0.00 0.00 175.29 174.38 2br2 s VAL 7 N -0.19 4.22 0.00 1.09 1.01 -1.26 -4.99 120.40 120.29 2br2 s VAL 7 Ca 0.53 1.51 0.00 0.00 0.00 0.00 0.00 61.98 64.02 2br2 s VAL 7 Cb -0.34 -3.97 0.00 0.00 0.00 0.00 0.00 36.38 32.06 2br2 s VAL 7 CO 0.39 -0.07 0.66 -0.62 0.00 0.00 0.00 175.10 175.46 2br2 n GLU 8 N 5.94 0.00 -1.75 2.72 -0.58 -1.26 -4.62 120.64 121.08 2br2 n GLU 8 Ca 0.13 0.39 -0.42 0.00 -0.42 0.00 0.00 57.16 56.83 2br2 n GLU 8 Cb 0.45 -1.16 -0.03 0.00 -0.57 0.00 0.00 31.44 30.13 2br2 n GLU 8 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 2br2 s ARG 9 N -1.65 3.85 0.39 3.49 0.52 -1.26 -4.99 118.95 119.30 2br2 s ARG 9 Ca 0.00 2.30 -0.18 0.00 -0.52 0.00 0.00 55.73 57.33 2br2 s ARG 9 Cb 0.00 -4.18 -0.10 0.00 0.52 0.00 0.00 34.95 31.19 2br2 s ARG 9 CO 0.00 -1.27 0.86 -1.25 0.02 0.00 0.00 175.30 173.66 2br2 s PRO 10 N 4.91 4.12 -0.09 3.54 0.04 -1.26 -5.03 135.00 141.22 2br2 s PRO 10 Ca 0.87 0.91 -0.29 0.00 0.04 0.00 0.00 61.00 62.53 2br2 s PRO 10 Cb -0.37 -2.29 -0.06 0.00 0.04 0.00 0.00 34.50 31.83 2br2 s PRO 10 CO 0.37 0.04 1.82 0.21 0.04 0.00 0.00 177.00 179.48 2br2 s LYS 11 N -3.14 3.91 0.04 4.56 2.20 -1.26 -4.91 119.74 121.15 2br2 s LYS 11 Ca 0.58 2.16 0.12 0.00 -0.36 0.00 0.00 55.97 58.48 2br2 s LYS 11 Cb -0.10 -4.11 -0.19 0.00 -1.51 0.00 0.00 37.83 31.93 2br2 s LYS 11 CO 0.16 -1.18 0.91 -0.07 -0.36 0.00 0.00 175.35 174.80 2br2 h LEU 12 N 11.45 0.00 -8.33 5.43 3.38 -1.95 -3.44 115.31 121.85 2br2 h LEU 12 Ca -0.41 0.00 -0.67 0.00 0.09 0.00 0.00 57.88 56.88 2br2 h LEU 12 Cb 1.20 0.00 -0.32 0.00 0.09 0.00 0.00 40.66 41.62 2br2 h LEU 12 CO 0.96 0.89 -0.86 -0.63 0.09 0.00 0.00 178.44 178.89 2br2 s ILE 13 N -2.71 2.21 0.74 1.22 1.09 -1.26 -3.81 121.20 118.68 2br2 s ILE 13 Ca -0.02 -0.95 -0.01 0.00 -1.10 0.00 0.00 60.65 58.57 2br2 s ILE 13 Cb 0.09 -1.87 0.14 0.00 -1.06 0.00 0.00 42.46 39.75 2br2 s ILE 13 CO 0.82 0.55 1.01 -0.76 -0.10 0.00 0.00 174.94 176.46 2br2 s LEU 14 N 0.53 2.95 0.33 2.97 1.43 -0.03 -4.94 118.68 121.91 2br2 s LEU 14 Ca -0.13 -0.40 0.01 0.00 -1.03 0.00 0.00 54.13 52.58 2br2 s LEU 14 Cb -0.17 -1.89 0.55 0.00 0.03 0.00 0.00 46.19 44.72 2br2 s LEU 14 CO 0.05 -1.93 1.94 0.44 0.23 0.00 0.00 176.35 177.07 2br2 h ASP 15 N -0.58 0.73 0.85 2.29 3.32 -2.00 -1.99 116.42 119.04 2br2 h ASP 15 Ca -0.36 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 56.63 2br2 h ASP 15 Cb 1.26 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 40.63 2br2 h ASP 15 CO 0.39 0.61 0.00 -0.90 -1.72 0.00 0.00 179.24 177.62 2br2 n ASP 16 N -4.37 0.33 0.00 6.45 5.75 -1.26 -4.88 116.55 118.56 2br2 n ASP 16 Ca 0.05 0.56 0.00 0.00 -0.01 0.00 0.00 54.79 55.39 2br2 n ASP 16 Cb 0.11 -0.64 0.00 0.00 -1.03 0.00 0.00 41.12 39.57 2br2 n ASP 16 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2br2 n GLY 17 N 0.57 0.57 3.95 6.12 0.00 -0.75 -5.08 105.19 110.57 2br2 n GLY 17 Ca 0.04 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.87 2br2 n GLY 17 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2br2 s LYS 18 N -0.85 2.98 0.82 1.61 1.02 -1.26 -4.60 119.74 119.46 2br2 s LYS 18 Ca 0.00 -1.12 -0.06 0.00 0.02 0.00 0.00 55.97 54.81 2br2 s LYS 18 Cb 0.00 -2.71 0.17 0.00 -0.52 0.00 0.00 37.83 34.76 2br2 s LYS 18 CO 0.00 0.04 1.13 1.03 -0.92 0.00 0.00 175.35 176.63 2br2 s ARG 19 N -4.14 1.19 0.49 1.68 0.52 0.59 -0.85 118.95 118.43 2br2 s ARG 19 Ca 0.45 -0.96 0.20 0.00 -0.52 0.00 0.00 55.73 54.90 2br2 s ARG 19 Cb -0.08 -2.16 1.22 0.00 0.52 0.00 0.00 34.95 34.45 2br2 s ARG 19 CO 0.30 -1.88 2.05 1.79 0.02 0.00 0.00 175.30 177.58 2br2 h THR 20 N -0.98 0.91 -0.34 0.02 1.35 -1.84 -1.23 112.91 110.80 2br2 h THR 20 Ca -0.38 -0.50 0.00 0.00 -0.55 0.00 0.00 66.41 64.98 2br2 h THR 20 Cb 1.25 1.29 0.00 0.00 -1.73 0.00 0.00 68.15 68.95 2br2 h THR 20 CO 0.37 0.13 0.00 -0.90 -0.25 0.00 0.00 175.52 174.87 2br2 n ASP 21 N -4.10 2.74 0.00 5.36 3.85 -1.26 -4.94 116.55 118.20 2br2 n ASP 21 Ca -0.02 -1.90 0.00 0.00 -0.71 0.00 0.00 54.79 52.16 2br2 n ASP 21 Cb 0.22 -0.22 0.00 0.00 -1.35 0.00 0.00 41.12 39.77 2br2 n ASP 21 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2br2 n GLY 22 N 1.35 0.79 3.80 6.12 0.00 -0.47 -5.06 105.19 111.73 2br2 n GLY 22 Ca 0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.86 2br2 n GLY 22 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2br2 s ARG 23 N -0.68 3.68 0.59 1.61 0.52 -1.26 -4.61 118.95 118.80 2br2 s ARG 23 Ca 0.00 1.32 -0.13 0.00 -0.52 0.00 0.00 55.73 56.41 2br2 s ARG 23 Cb 0.00 -2.08 -0.05 0.00 0.52 0.00 0.00 34.95 33.34 2br2 s ARG 23 CO 0.00 -0.53 1.02 0.15 0.02 0.00 0.00 175.30 175.96 2br2 s LYS 24 N -3.45 3.67 0.56 3.54 1.02 -1.26 -0.30 119.74 123.52 2br2 s LYS 24 Ca 0.66 0.83 0.28 0.00 0.02 0.00 0.00 55.97 57.76 2br2 s LYS 24 Cb -0.16 -2.09 1.47 0.00 -0.52 0.00 0.00 37.83 36.53 2br2 s LYS 24 CO 0.24 -0.51 1.94 -1.35 -0.92 0.00 0.00 175.35 174.76 2br2 h PRO 25 N 0.04 0.00 -0.70 -1.68 0.11 -1.88 -1.59 132.00 126.31 2br2 h PRO 25 Ca -0.45 0.00 -0.22 0.00 0.11 0.00 0.00 66.00 65.44 2br2 h PRO 25 Cb 1.19 0.00 -0.13 0.00 0.11 0.00 0.00 31.00 32.17 2br2 h PRO 25 CO 0.62 0.00 0.25 -0.40 -0.21 0.00 0.00 178.00 178.26 2br2 n ASP 26 N -4.00 4.57 -4.44 -2.05 5.75 -1.26 -0.50 116.55 114.61 2br2 n ASP 26 Ca 0.10 -3.27 -0.33 0.00 -0.01 0.00 0.00 54.79 51.28 2br2 n ASP 26 Cb 0.68 -0.73 -0.13 0.00 -1.03 0.00 0.00 41.12 39.91 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 -3.02 3.35 0.47 0.11 2.02 -0.60 -0.89 118.70 120.14 2br2 s GLU 27 Ca 0.54 -0.62 -0.20 0.00 0.02 0.00 0.00 54.97 54.70 2br2 s GLU 27 Cb 0.44 -2.70 -0.09 0.00 0.10 0.00 0.00 34.13 31.87 2br2 s GLU 27 CO 0.12 0.30 1.00 -0.51 0.02 0.00 0.00 175.26 176.18 2br2 s LEU 28 N 0.16 3.86 1.08 1.80 1.43 -1.13 -4.75 118.68 121.14 2br2 s LEU 28 Ca -0.05 1.80 -0.14 0.00 -1.03 0.00 0.00 54.13 54.71 2br2 s LEU 28 Cb -0.15 -4.55 0.23 0.00 0.03 0.00 0.00 46.19 41.76 2br2 s LEU 28 CO 0.04 -0.60 1.07 -0.13 0.23 0.00 0.00 176.35 176.97 2br2 s ARG 29 N -3.28 -0.23 0.52 1.70 0.52 -1.26 -3.49 118.95 113.42 2br2 s ARG 29 Ca 0.64 0.48 -0.21 0.00 -0.52 0.00 0.00 55.73 56.12 2br2 s ARG 29 Cb -0.13 -1.66 -0.06 0.00 0.52 0.00 0.00 34.95 33.62 2br2 s ARG 29 CO 0.18 -3.17 1.20 -1.54 0.02 0.00 0.00 175.30 171.99 2br2 s SER 30 N -3.29 5.73 -0.04 0.23 1.04 -1.26 -4.52 113.70 111.58 2br2 s SER 30 Ca 0.67 2.38 0.06 0.00 0.48 0.00 0.00 55.95 59.54 2br2 s SER 30 Cb -0.19 -2.60 -0.02 0.00 0.10 0.00 0.00 66.02 63.31 2br2 s SER 30 CO 0.59 -1.22 -0.23 -0.63 0.98 0.00 0.00 173.24 172.73 2br2 s ILE 31 N -1.55 2.28 -0.03 -1.02 1.01 -0.15 -0.16 121.20 121.57 2br2 s ILE 31 Ca 0.69 -1.01 0.01 0.00 0.00 0.00 0.00 60.65 60.35 2br2 s ILE 31 Cb -0.30 -1.83 0.02 0.00 0.01 0.00 0.00 42.46 40.36 2br2 s ILE 31 CO 0.35 0.58 -0.04 -0.75 0.00 0.00 0.00 174.94 175.07 2br2 s LYS 32 N -0.44 0.68 -0.04 2.79 2.20 -0.44 -0.57 119.74 123.92 2br2 s LYS 32 Ca 0.05 -0.12 0.01 0.00 -0.36 0.00 0.00 55.97 55.55 2br2 s LYS 32 Cb -0.12 -0.70 0.02 0.00 -1.51 0.00 0.00 37.83 35.52 2br2 s LYS 32 CO 0.01 -0.03 -0.04 0.42 -0.36 0.00 0.00 175.35 175.35 2br2 s ILE 33 N 0.63 0.49 0.02 5.43 1.01 -0.00 -0.11 121.20 128.67 2br2 s ILE 33 Ca -0.08 -0.12 -0.00 0.00 0.00 0.00 0.00 60.65 60.45 2br2 s ILE 33 Cb -0.11 -0.50 -0.02 0.00 0.01 0.00 0.00 42.46 41.84 2br2 s ILE 33 CO -0.00 0.20 -0.02 -1.83 0.00 0.00 0.00 174.94 173.29 2br2 s GLU 34 N 0.74 0.25 0.21 2.79 -1.05 -0.50 -0.49 118.70 120.65 2br2 s GLU 34 Ca -0.10 -0.47 0.09 0.00 -0.15 0.00 0.00 54.97 54.34 2br2 s GLU 34 Cb -0.13 0.09 -0.04 0.00 -0.44 0.00 0.00 34.13 33.61 2br2 s GLU 34 CO 0.00 -0.04 -0.07 -0.51 0.95 0.00 0.00 175.26 175.59 2br2 s LEU 35 N -1.14 3.03 -1.04 1.83 1.02 -0.47 -0.53 118.68 121.38 2br2 s LEU 35 Ca -0.13 -0.61 -0.06 0.00 0.02 0.00 0.00 54.13 53.35 2br2 s LEU 35 Cb -0.08 -1.66 0.01 0.00 0.02 0.00 0.00 46.19 44.48 2br2 s LEU 35 CO -0.01 0.07 0.79 0.61 0.02 0.00 0.00 176.35 177.83 2br2 n GLY 36 N -0.27 -0.17 0.12 -3.19 0.00 0.54 -4.90 105.19 97.32 2br2 n GLY 36 Ca -0.09 -0.01 0.12 0.00 0.00 0.00 0.00 46.02 46.04 2br2 n GLY 36 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2br2 h VAL 37 N -1.81 0.00 -3.37 1.61 3.04 -1.85 -3.44 116.25 110.43 2br2 h VAL 37 Ca -0.42 -0.85 -0.65 0.00 -1.01 0.00 0.00 66.70 63.78 2br2 h VAL 37 Cb 1.27 1.49 -0.26 0.00 -2.01 0.00 0.00 31.29 31.79 2br2 h VAL 37 CO 0.42 0.00 -0.71 -0.76 -1.01 0.00 0.00 177.57 175.50 2br2 s LEU 38 N -5.21 2.98 0.08 3.16 1.43 -1.26 -5.03 118.68 114.83 2br2 s LEU 38 Ca 0.03 -0.29 -0.16 0.00 -1.03 0.00 0.00 54.13 52.68 2br2 s LEU 38 Cb 0.10 -1.73 -0.13 0.00 0.03 0.00 0.00 46.19 44.45 2br2 s LEU 38 CO 0.74 0.08 1.33 0.11 0.23 0.00 0.00 176.35 178.83 2br2 h LYS 39 N 7.40 0.64 -0.56 1.70 6.56 -2.01 -3.28 116.57 127.02 2br2 h LYS 39 Ca -0.35 -0.43 0.00 0.00 -1.06 0.00 0.00 60.65 58.81 2br2 h LYS 39 Cb 1.18 0.06 0.00 0.00 -0.57 0.00 0.00 32.23 32.90 2br2 h LYS 39 CO 0.60 1.05 0.00 0.09 -2.06 0.00 0.00 179.45 179.13 2br2 n ASN 40 N -4.21 2.87 -4.71 0.86 3.02 -1.26 -4.85 115.26 106.98 2br2 n ASN 40 Ca -0.06 -2.22 -0.23 0.00 -0.03 0.00 0.00 54.58 52.05 2br2 n ASN 40 Cb 0.56 -0.42 -0.06 0.00 -0.61 0.00 0.00 39.78 39.25 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 -1.67 3.36 -0.03 5.41 0.00 -1.24 -5.04 121.76 122.56 2br2 s ALA 41 Ca 0.30 -1.65 0.11 0.00 0.00 0.00 0.00 51.96 50.72 2br2 s ALA 41 Cb 0.19 -0.88 -0.06 0.00 0.00 0.00 0.00 23.12 22.36 2br2 s ALA 41 CO 0.15 0.19 1.35 -0.44 0.00 0.00 0.00 175.76 177.02 2br2 h ASP 42 N 1.69 0.00 -4.97 0.00 3.32 -1.25 -3.46 116.42 111.75 2br2 h ASP 42 Ca -0.45 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.52 2br2 h ASP 42 Cb 1.25 0.00 -0.19 0.00 0.22 0.00 0.00 39.33 40.60 2br2 h ASP 42 CO 0.61 0.73 0.00 -0.83 -1.72 0.00 0.00 179.24 178.03 2br2 s GLY 43 N -4.58 -0.41 -0.09 2.75 0.00 -0.98 -3.76 107.32 100.25 2br2 s GLY 43 Ca 0.02 0.93 -0.27 0.00 0.00 0.00 0.00 44.72 45.41 2br2 s GLY 43 CO 0.78 0.64 0.63 -1.35 0.00 0.00 0.00 173.10 173.80 2br2 s SER 44 N -1.21 -0.61 -0.08 1.64 1.04 -1.25 -0.26 113.70 112.96 2br2 s SER 44 Ca -0.12 0.79 -0.15 0.00 0.48 0.00 0.00 55.95 56.96 2br2 s SER 44 Cb -0.02 0.71 0.03 0.00 0.10 0.00 0.00 66.02 66.84 2br2 s SER 44 CO 0.08 -0.50 0.36 0.00 0.98 0.00 0.00 173.24 174.15 2br2 s ALA 45 N -0.84 -0.90 -0.16 5.32 0.00 -0.76 -0.34 121.76 124.08 2br2 s ALA 45 Ca -0.09 0.75 -0.04 0.00 0.00 0.00 0.00 51.96 52.58 2br2 s ALA 45 Cb -0.02 -0.28 -0.03 0.00 0.00 0.00 0.00 23.12 22.79 2br2 s ALA 45 CO 0.07 -0.22 -0.04 0.42 0.00 0.00 0.00 175.76 175.99 2br2 s ILE 46 N -0.54 3.87 -0.07 0.00 1.01 0.31 -1.04 121.20 124.75 2br2 s ILE 46 Ca -0.06 -0.36 0.05 0.00 0.00 0.00 0.00 60.65 60.27 2br2 s ILE 46 Cb -0.04 -2.70 -0.00 0.00 0.01 0.00 0.00 42.46 39.73 2br2 s ILE 46 CO 0.03 0.49 -0.21 0.12 0.00 0.00 0.00 174.94 175.36 2br2 s PHE 47 N 0.44 2.19 -0.10 3.97 5.36 -0.39 -1.41 117.98 128.03 2br2 s PHE 47 Ca -0.04 -0.74 0.01 0.00 -0.96 0.00 0.00 56.93 55.21 2br2 s PHE 47 Cb -0.14 -1.46 0.02 0.00 -0.34 0.00 0.00 43.02 41.09 2br2 s PHE 47 CO 0.03 -0.27 -0.12 -1.21 -1.46 0.00 0.00 175.22 172.19 2br2 s GLU 48 N 0.11 1.91 -0.29 10.12 2.02 0.85 -1.29 118.70 132.12 2br2 s GLU 48 Ca -0.09 -0.44 0.00 0.00 0.02 0.00 0.00 54.97 54.47 2br2 s GLU 48 Cb -0.15 -1.71 0.06 0.00 0.10 0.00 0.00 34.13 32.43 2br2 s GLU 48 CO 0.05 -0.12 -0.03 -1.64 0.02 0.00 0.00 175.26 173.54 2br2 s MET 49 N 1.17 2.28 5.30 1.61 -1.94 0.06 -1.33 119.30 126.46 2br2 s MET 49 Ca -0.04 -1.36 0.00 0.00 -1.71 0.00 0.00 55.69 52.58 2br2 s MET 49 Cb -0.14 -3.08 0.00 0.00 2.01 0.00 0.00 34.83 33.61 2br2 s MET 49 CO -0.03 -0.64 0.00 0.41 -0.01 0.00 0.00 175.02 174.75 2br2 n GLY 50 N 4.52 3.50 0.75 -0.03 0.00 0.77 -1.11 105.19 113.60 2br2 n GLY 50 Ca -0.12 0.23 0.13 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 6.92 2.39 -4.64 1.61 3.02 -1.26 -4.83 115.26 118.47 2br2 n ASN 51 Ca 0.00 -1.78 -0.41 0.00 -0.03 0.00 0.00 54.58 52.36 2br2 n ASN 51 Cb 0.00 0.03 -0.05 0.00 -0.61 0.00 0.00 39.78 39.15 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 -2.04 4.87 -0.06 3.41 2.01 -0.27 -4.26 115.64 119.30 2br2 s THR 52 Ca 0.31 1.49 0.01 0.00 0.31 0.00 0.00 61.69 63.80 2br2 s THR 52 Cb 0.20 -4.08 0.02 0.00 0.01 0.00 0.00 72.50 68.65 2br2 s THR 52 CO 0.33 -0.04 -0.05 -0.54 -0.69 0.00 0.00 174.62 173.63 2br2 s LYS 53 N 2.68 1.03 0.05 4.92 1.02 -0.11 -0.76 119.74 128.57 2br2 s LYS 53 Ca 0.33 -0.14 0.05 0.00 0.02 0.00 0.00 55.97 56.24 2br2 s LYS 53 Cb -0.15 -1.07 -0.02 0.00 -0.52 0.00 0.00 37.83 36.07 2br2 s LYS 53 CO 0.08 -0.13 -0.16 0.00 -0.92 0.00 0.00 175.35 174.22 2br2 s ALA 54 N 1.19 1.31 -0.05 5.17 0.00 -0.41 0.10 121.76 129.07 2br2 s ALA 54 Ca -0.06 -0.90 0.04 0.00 0.00 0.00 0.00 51.96 51.03 2br2 s ALA 54 Cb -0.14 -0.21 -0.02 0.00 0.00 0.00 0.00 23.12 22.75 2br2 s ALA 54 CO -0.02 0.26 -0.15 -1.50 0.00 0.00 0.00 175.76 174.35 2br2 s ILE 55 N -0.89 2.98 0.01 0.00 2.07 -0.14 -1.26 121.20 123.98 2br2 s ILE 55 Ca 0.03 -0.75 0.05 0.00 -1.41 0.00 0.00 60.65 58.57 2br2 s ILE 55 Cb -0.08 -2.16 -0.02 0.00 0.13 0.00 0.00 42.46 40.33 2br2 s ILE 55 CO 0.02 0.59 -0.16 0.00 -1.91 0.00 0.00 174.94 173.47 2br2 s ALA 56 N -0.66 1.32 -0.01 1.50 0.00 -0.21 -0.66 121.76 123.05 2br2 s ALA 56 Ca 0.10 -0.77 0.05 0.00 0.00 0.00 0.00 51.96 51.33 2br2 s ALA 56 Cb -0.11 -0.29 -0.01 0.00 0.00 0.00 0.00 23.12 22.71 2br2 s ALA 56 CO 0.01 0.30 -0.15 0.00 0.00 0.00 0.00 175.76 175.92 2br2 s ALA 57 N -0.57 1.24 -0.10 0.00 0.00 0.06 -1.83 121.76 120.55 2br2 s ALA 57 Ca 0.05 -0.65 0.03 0.00 0.00 0.00 0.00 51.96 51.39 2br2 s ALA 57 Cb -0.07 -0.31 -0.01 0.00 0.00 0.00 0.00 23.12 22.73 2br2 s ALA 57 CO 0.00 0.30 -0.20 0.08 0.00 0.00 0.00 175.76 175.94 2br2 s VAL 58 N -0.37 2.44 -0.37 0.00 1.01 0.64 -0.57 120.40 123.17 2br2 s VAL 58 Ca 0.06 -0.89 -0.05 0.00 0.00 0.00 0.00 61.98 61.09 2br2 s VAL 58 Cb -0.06 -1.96 0.07 0.00 0.00 0.00 0.00 36.38 34.43 2br2 s VAL 58 CO -0.00 0.55 0.15 -0.31 0.00 0.00 0.00 175.10 175.49 2br2 s TYR 59 N 0.25 3.37 1.31 5.22 1.51 -0.28 -0.72 117.35 128.01 2br2 s TYR 59 Ca -0.13 -1.83 -0.20 0.00 -1.01 0.00 0.00 57.07 53.90 2br2 s TYR 59 Cb -0.17 -2.69 0.31 0.00 -0.11 0.00 0.00 41.96 39.31 2br2 s TYR 59 CO 0.07 -0.85 0.71 0.41 -1.11 0.00 0.00 175.55 174.78 2br2 n GLY 60 N 4.74 -3.36 3.67 0.71 0.00 -1.26 -2.63 105.19 107.06 2br2 n GLY 60 Ca -0.09 -1.39 -0.47 0.00 0.00 0.00 0.00 46.02 44.07 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 -4.44 2.21 -3.78 1.61 -0.02 -1.26 -4.66 135.00 124.65 2br2 n PRO 61 Ca 0.11 0.80 -0.13 0.00 -2.02 0.00 0.00 63.50 62.26 2br2 n PRO 61 Cb 0.51 -2.61 -0.09 0.00 -0.02 0.00 0.00 33.50 31.29 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 2.23 0.56 0.30 -0.52 -2.85 -0.95 -4.94 119.74 113.56 2br2 s LYS 62 Ca 0.84 -0.08 -0.28 0.00 -1.00 0.00 0.00 55.97 55.46 2br2 s LYS 62 Cb -0.67 0.25 -0.14 0.00 -2.06 0.00 0.00 37.83 35.21 2br2 s LYS 62 CO 0.43 -0.14 0.99 0.39 0.10 0.00 0.00 175.35 177.12 2br2 n GLU 63 N 1.71 1.30 -3.65 1.78 1.02 -1.26 -0.25 120.64 121.29 2br2 n GLU 63 Ca -0.20 0.46 -0.36 0.00 -0.02 0.00 0.00 57.16 57.04 2br2 n GLU 63 Cb 0.56 -1.83 -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 -1.58 4.15 0.00 3.49 1.75 -1.19 -4.69 119.30 121.24 2br2 s MET 64 Ca 0.59 -0.06 0.00 0.00 -1.25 0.00 0.00 55.69 54.97 2br2 s MET 64 Cb -0.69 -3.40 0.00 0.00 2.84 0.00 0.00 34.83 33.58 2br2 s MET 64 CO 0.60 0.32 0.73 -2.39 -0.65 0.00 0.00 175.02 173.63 2br2 n HIS 65 N 3.38 0.00 -3.20 4.11 1.44 -1.26 -3.78 115.22 115.90 2br2 n HIS 65 Ca -0.14 0.00 -0.42 0.00 -2.01 0.00 0.00 57.72 55.15 2br2 n HIS 65 Cb 0.52 -0.23 -0.07 0.00 0.12 0.00 0.00 29.99 30.32 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 -1.93 3.56 0.41 -1.40 0.05 -1.26 -4.97 135.00 129.46 2br2 s PRO 66 Ca 0.00 -0.18 0.13 0.00 0.05 0.00 0.00 61.00 61.00 2br2 s PRO 66 Cb 0.00 -3.84 0.97 0.00 0.05 0.00 0.00 34.50 31.68 2br2 s PRO 66 CO 0.00 -0.72 1.95 -0.09 0.05 0.00 0.00 177.00 178.19 2br2 h ARG 67 N 8.53 0.48 0.00 4.56 2.43 -1.99 -1.40 114.38 126.99 2br2 h ARG 67 Ca -0.27 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 58.87 2br2 h ARG 67 Cb 1.12 -0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 30.56 2br2 h ARG 67 CO 0.80 0.32 -0.00 1.12 -1.51 0.00 0.00 179.97 180.70 2br2 h HIS 68 N 0.49 0.00 -0.01 2.20 2.07 -1.93 -0.10 115.15 117.88 2br2 h HIS 68 Ca 0.33 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.85 2br2 h HIS 68 Cb 0.61 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.59 2br2 h HIS 68 CO -0.00 0.00 -0.21 1.28 -3.07 0.00 0.00 177.93 175.93 2br2 n LEU 69 N -3.20 0.73 -4.95 6.12 4.77 -0.53 -4.89 117.00 115.05 2br2 n LEU 69 Ca -0.03 -0.11 -0.25 0.00 -0.03 0.00 0.00 56.01 55.59 2br2 n LEU 69 Cb 0.08 -0.17 0.09 0.00 -2.33 0.00 0.00 43.42 41.09 2br2 n LEU 69 CO 0.21 0.14 0.61 -0.94 -1.33 0.00 0.00 177.39 176.08 2br2 s SER 70 N -2.55 4.48 0.03 -1.43 1.04 -0.05 -4.99 113.70 110.23 2br2 s SER 70 Ca 0.25 0.15 0.08 0.00 0.48 0.00 0.00 55.95 56.90 2br2 s SER 70 Cb 0.19 -0.66 -0.03 0.00 0.10 0.00 0.00 66.02 65.63 2br2 s SER 70 CO 0.52 -1.79 -0.24 -0.76 0.98 0.00 0.00 173.24 171.95 2br2 s LEU 71 N -5.26 2.15 0.46 2.42 1.43 -1.26 -5.02 118.68 113.60 2br2 s LEU 71 Ca 0.64 -0.54 0.26 0.00 -1.03 0.00 0.00 54.13 53.46 2br2 s LEU 71 Cb -0.08 -1.15 0.69 0.00 0.03 0.00 0.00 46.19 45.67 2br2 s LEU 71 CO 0.45 0.23 1.73 1.55 0.23 0.00 0.00 176.35 180.54 2br2 h PRO 72 N 4.95 0.00 0.00 1.29 0.13 -1.97 -0.62 132.00 135.77 2br2 h PRO 72 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 2br2 h PRO 72 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 2br2 h PRO 72 CO 0.44 0.07 -0.62 -0.40 -0.23 0.00 0.00 178.00 177.26 2br2 n ASP 73 N -3.14 1.34 -4.03 1.44 5.75 -1.26 -4.57 116.55 112.08 2br2 n ASP 73 Ca 0.02 -0.44 -0.08 0.00 -0.01 0.00 0.00 54.79 54.28 2br2 n ASP 73 Cb 0.47 1.10 -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 -1.88 0.77 0.42 0.11 0.52 -1.26 -4.41 118.95 113.23 2br2 s ARG 74 Ca 0.01 -1.19 -0.20 0.00 -0.52 0.00 0.00 55.73 53.83 2br2 s ARG 74 Cb 0.05 0.26 -0.10 0.00 0.52 0.00 0.00 34.95 35.68 2br2 s ARG 74 CO 0.26 -0.20 0.92 0.00 0.02 0.00 0.00 175.30 176.30 2br2 s ALA 75 N -3.93 3.09 -0.21 2.13 0.00 0.33 -2.96 121.76 120.22 2br2 s ALA 75 Ca 0.10 0.32 -0.14 0.00 0.00 0.00 0.00 51.96 52.25 2br2 s ALA 75 Cb 0.07 -3.08 -0.04 0.00 0.00 0.00 0.00 23.12 20.06 2br2 s ALA 75 CO -0.07 0.13 0.29 0.08 0.00 0.00 0.00 175.76 176.19 2br2 s VAL 76 N -2.19 5.28 -0.04 0.00 1.01 -0.09 -4.93 120.40 119.44 2br2 s VAL 76 Ca 0.60 0.49 -0.22 0.00 0.00 0.00 0.00 61.98 62.86 2br2 s VAL 76 Cb -0.09 -3.63 -0.05 0.00 0.00 0.00 0.00 36.38 32.61 2br2 s VAL 76 CO 0.16 0.31 0.65 -0.76 0.00 0.00 0.00 175.10 175.46 2br2 s LEU 77 N 1.03 4.36 -0.21 3.92 1.43 -1.26 -0.81 118.68 127.14 2br2 s LEU 77 Ca 0.15 1.17 0.00 0.00 -1.03 0.00 0.00 54.13 54.42 2br2 s LEU 77 Cb -0.14 -3.01 0.03 0.00 0.03 0.00 0.00 46.19 43.10 2br2 s LEU 77 CO 0.06 -0.01 -0.14 -0.13 0.23 0.00 0.00 176.35 176.35 2br2 s ARG 78 N 0.33 2.87 -0.05 1.70 0.52 -0.50 -4.95 118.95 118.88 2br2 s ARG 78 Ca 0.34 -0.93 0.05 0.00 -0.52 0.00 0.00 55.73 54.67 2br2 s ARG 78 Cb -0.18 -2.76 -0.01 0.00 0.52 0.00 0.00 34.95 32.53 2br2 s ARG 78 CO 0.18 -0.31 -0.21 0.08 0.02 0.00 0.00 175.30 175.06 2br2 s VAL 79 N 1.28 1.75 -0.19 3.52 1.01 -1.26 0.01 120.40 126.52 2br2 s VAL 79 Ca 0.02 -0.89 0.01 0.00 0.00 0.00 0.00 61.98 61.12 2br2 s VAL 79 Cb -0.15 -1.49 0.03 0.00 0.00 0.00 0.00 36.38 34.77 2br2 s VAL 79 CO -0.09 0.49 -0.15 -0.60 0.00 0.00 0.00 175.10 174.75 2br2 s ARG 80 N -0.02 2.53 -0.27 2.72 3.52 -0.64 -4.89 118.95 121.90 2br2 s ARG 80 Ca -0.05 -0.89 -0.11 0.00 -0.13 0.00 0.00 55.73 54.55 2br2 s ARG 80 Cb -0.13 -2.53 -0.05 0.00 -1.56 0.00 0.00 34.95 30.68 2br2 s ARG 80 CO 0.03 -0.33 0.19 -0.47 -0.81 0.00 0.00 175.30 173.92 2br2 s TYR 81 N 1.31 3.25 -0.03 5.12 5.04 -1.26 -0.82 117.35 129.95 2br2 s TYR 81 Ca 0.01 0.17 -0.04 0.00 -2.44 0.00 0.00 57.07 54.77 2br2 s TYR 81 Cb -0.15 -2.36 0.01 0.00 0.35 0.00 0.00 41.96 39.80 2br2 s TYR 81 CO -0.10 -0.10 0.10 -1.58 -1.34 0.00 0.00 175.55 172.52 2br2 s HIS 82 N 1.59 -0.06 -0.19 4.97 5.65 -0.95 -4.81 115.29 121.48 2br2 s HIS 82 Ca 0.08 0.15 -0.06 0.00 0.25 0.00 0.00 55.06 55.48 2br2 s HIS 82 Cb -0.15 0.01 -0.03 0.00 -1.18 0.00 0.00 32.58 31.22 2br2 s HIS 82 CO 0.09 -0.10 0.02 -1.64 -0.65 0.00 0.00 174.74 172.46 2br2 s MET 83 N -0.29 3.74 0.55 2.88 1.00 -1.26 -0.24 119.30 125.68 2br2 s MET 83 Ca -0.04 -0.46 -0.20 0.00 0.00 0.00 0.00 55.69 54.99 2br2 s MET 83 Cb -0.03 -3.12 -0.05 0.00 0.00 0.00 0.00 34.83 31.64 2br2 s MET 83 CO 0.00 0.11 1.19 0.95 0.00 0.00 0.00 175.02 177.28 2br2 s THR 84 N 0.76 2.80 0.59 2.05 -4.23 -0.72 -4.83 115.64 112.05 2br2 s THR 84 Ca 0.01 0.52 0.29 0.00 -1.18 0.00 0.00 61.69 61.34 2br2 s THR 84 Cb -0.14 -3.23 0.36 0.00 1.34 0.00 0.00 72.50 70.83 2br2 s THR 84 CO 0.02 -0.08 2.15 -0.65 -0.54 0.00 0.00 174.62 175.52 2br2 h PRO 85 N 1.22 0.00 -0.58 3.99 0.11 -1.91 -2.14 132.00 132.70 2br2 h PRO 85 Ca -0.50 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.51 2br2 h PRO 85 Cb 1.28 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.33 2br2 h PRO 85 CO 0.57 0.00 0.11 1.97 -0.21 0.00 0.00 178.00 180.43 2br2 n PHE 86 N -3.79 2.00 0.56 0.65 1.16 -1.26 -2.13 117.46 114.66 2br2 n PHE 86 Ca 0.00 -0.99 0.12 0.00 -1.87 0.00 0.00 57.45 54.72 2br2 n PHE 86 Cb 0.25 -0.55 0.21 0.00 -1.61 0.00 0.00 39.48 37.78 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 2.96 0.00 -1.90 5.98 4.64 -1.53 -3.46 113.55 120.24 2br2 h SER 87 Ca 0.12 -0.17 -0.60 0.00 -0.47 0.00 0.00 61.79 60.67 2br2 h SER 87 Cb 2.03 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 63.99 2br2 h SER 87 CO 0.54 0.08 -0.55 0.42 -0.87 0.00 0.00 176.83 176.46 2br2 s THR 88 N -3.16 1.19 0.13 2.95 -4.23 -1.26 -0.37 115.64 110.88 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 -2.50 -0.03 0.00 1.34 0.00 0.00 72.50 71.44 2br2 s THR 88 CO 0.70 0.00 1.53 0.44 -0.54 0.00 0.00 174.62 176.75 2br2 h ASP 89 N 1.70 0.78 -2.90 3.99 3.32 -1.91 -3.41 116.42 117.98 2br2 h ASP 89 Ca -0.41 -0.36 -0.64 0.00 0.02 0.00 0.00 57.03 55.64 2br2 h ASP 89 Cb 1.28 -0.21 -0.08 0.00 0.22 0.00 0.00 39.33 40.53 2br2 h ASP 89 CO 0.70 0.97 -0.40 -1.61 -1.72 0.00 0.00 179.24 177.18 2br2 s GLU 90 N -4.79 3.76 0.12 3.56 2.02 -1.26 -5.04 118.70 117.08 2br2 s GLU 90 Ca -0.12 0.01 -0.31 0.00 0.02 0.00 0.00 54.97 54.57 2br2 s GLU 90 Cb 0.10 -3.26 -0.10 0.00 0.10 0.00 0.00 34.13 30.97 2br2 s GLU 90 CO 0.82 0.62 1.76 0.50 0.02 0.00 0.00 175.26 178.97 2br2 s ARG 91 N -0.64 4.16 0.17 1.61 3.52 -1.26 -4.92 118.95 121.59 2br2 s ARG 91 Ca 0.16 2.51 -0.27 0.00 -0.13 0.00 0.00 55.73 58.00 2br2 s ARG 91 Cb -0.13 -3.51 -0.08 0.00 -1.56 0.00 0.00 34.95 29.67 2br2 s ARG 91 CO 0.05 -0.79 0.85 0.15 -0.81 0.00 0.00 175.30 174.75 2br2 s LYS 92 N 2.44 4.67 0.10 5.12 1.02 -0.90 -5.04 119.74 127.15 2br2 s LYS 92 Ca 0.78 1.29 -0.31 0.00 0.02 0.00 0.00 55.97 57.74 2br2 s LYS 92 Cb -0.45 -3.29 -0.09 0.00 -0.52 0.00 0.00 37.83 33.49 2br2 s LYS 92 CO 0.34 0.50 1.58 1.21 -0.92 0.00 0.00 175.35 178.06 2br2 s ASN 93 N -0.95 6.64 0.56 2.83 3.84 -1.26 -4.31 114.94 122.29 2br2 s ASN 93 Ca 0.39 2.48 0.32 0.00 0.21 0.00 0.00 52.86 56.26 2br2 s ASN 93 Cb -0.24 -2.57 1.68 0.00 -0.55 0.00 0.00 41.25 39.57 2br2 s ASN 93 CO 0.28 -0.83 2.14 1.55 -2.79 0.00 0.00 177.10 177.45 2br2 h PRO 94 N 7.68 0.00 -6.70 0.43 0.13 -1.96 -3.43 132.00 128.15 2br2 h PRO 94 Ca -0.42 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.14 2br2 h PRO 94 Cb 1.20 0.00 0.09 0.00 0.13 0.00 0.00 31.00 32.43 2br2 h PRO 94 CO 0.92 0.07 0.62 0.00 -0.23 0.00 0.00 178.00 179.37 2br2 n ALA 95 N -2.21 1.47 -1.97 -0.56 0.00 -1.26 -4.89 120.51 111.07 2br2 n ALA 95 Ca -0.02 0.38 -0.41 0.00 0.00 0.00 0.00 53.44 53.39 2br2 n ALA 95 Cb 0.20 -2.30 -0.03 0.00 0.00 0.00 0.00 19.45 17.32 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 -1.05 4.36 0.49 0.00 0.02 -1.26 -5.00 135.00 132.56 2br2 s PRO 96 Ca 0.62 2.11 -0.03 0.00 0.02 0.00 0.00 61.00 63.72 2br2 s PRO 96 Cb -0.59 -3.17 -0.01 0.00 0.02 0.00 0.00 34.50 30.75 2br2 s PRO 96 CO 0.55 -0.29 0.76 -1.54 -0.33 0.00 0.00 177.00 176.15 2br2 s SER 97 N 0.34 5.91 0.27 2.53 1.04 -1.26 -4.93 113.70 117.60 2br2 s SER 97 Ca 0.57 0.59 -0.00 0.00 0.48 0.00 0.00 55.95 57.59 2br2 s SER 97 Cb -0.38 -1.81 0.52 0.00 0.10 0.00 0.00 66.02 64.45 2br2 s SER 97 CO 0.39 -0.74 1.83 0.03 0.98 0.00 0.00 173.24 175.73 2br2 h ARG 98 N 0.22 0.90 -0.51 4.02 3.08 -1.99 -0.02 114.38 120.07 2br2 h ARG 98 Ca -0.46 -0.05 0.06 0.00 0.07 0.00 0.00 59.98 59.59 2br2 h ARG 98 Cb 1.24 -0.20 -0.05 0.00 0.08 0.00 0.00 29.97 31.03 2br2 h ARG 98 CO 0.60 0.60 0.23 -0.09 -1.07 0.00 0.00 179.97 180.23 2br2 h ARG 99 N 0.93 0.43 -0.32 0.04 2.43 -1.99 -0.16 114.38 115.74 2br2 h ARG 99 Ca 0.47 -0.03 -0.09 0.00 -0.81 0.00 0.00 59.98 59.53 2br2 h ARG 99 Cb 0.47 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.91 2br2 h ARG 99 CO -0.27 0.29 -0.18 0.93 -1.51 0.00 0.00 179.97 179.23 2br2 h GLU 100 N 0.45 0.57 -0.15 0.20 5.08 -1.46 -0.93 114.58 118.33 2br2 h GLU 100 Ca 0.24 -0.20 -0.02 0.00 -1.00 0.00 0.00 59.36 58.38 2br2 h GLU 100 Cb 0.19 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 2br2 h GLU 100 CO -0.20 0.73 0.04 0.82 -1.00 0.00 0.00 179.01 179.40 2br2 h ILE 101 N 0.52 1.21 0.00 3.13 2.04 -0.57 -0.72 117.51 123.12 2br2 h ILE 101 Ca 0.08 -0.65 -0.00 0.00 1.00 0.00 0.00 64.86 65.29 2br2 h ILE 101 Cb 0.60 1.34 0.00 0.00 -0.74 0.00 0.00 36.82 38.03 2br2 h ILE 101 CO 0.04 0.20 -0.00 -0.08 0.00 0.00 0.00 178.15 178.31 2br2 h GLU 102 N 0.05 -0.00 -0.29 2.37 4.81 -0.84 -2.80 114.58 117.88 2br2 h GLU 102 Ca 0.05 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.23 2br2 h GLU 102 Cb 0.27 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.63 2br2 h GLU 102 CO 0.00 0.10 -0.02 -0.07 -0.73 0.00 0.00 179.01 178.29 2br2 h LEU 103 N -0.10 0.41 -0.30 1.64 3.38 -1.16 -0.34 115.31 118.84 2br2 h LEU 103 Ca -0.00 -0.07 0.02 0.00 0.09 0.00 0.00 57.88 57.92 2br2 h LEU 103 Cb 0.10 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 2br2 h LEU 103 CO 0.00 0.50 0.15 0.28 0.09 0.00 0.00 178.44 179.45 2br2 h SER 104 N 0.43 0.22 0.16 -0.43 0.02 -1.02 0.12 113.55 113.05 2br2 h SER 104 Ca 0.09 0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.05 2br2 h SER 104 Cb 0.31 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.83 2br2 h SER 104 CO 0.01 0.17 -0.08 0.50 -1.14 0.00 0.00 176.83 176.29 2br2 h LYS 105 N 0.31 -0.21 -0.57 3.45 3.64 -1.09 -0.05 116.57 122.05 2br2 h LYS 105 Ca 0.12 0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.55 2br2 h LYS 105 Cb 0.04 0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 31.86 2br2 h LYS 105 CO -0.08 -0.13 0.32 0.28 -2.27 0.00 0.00 179.45 177.57 2br2 h VAL 106 N -0.24 1.01 -0.27 2.00 2.07 -0.83 -0.49 116.25 119.51 2br2 h VAL 106 Ca -0.02 -0.22 -0.03 0.00 0.82 0.00 0.00 66.70 67.25 2br2 h VAL 106 Cb 0.18 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 30.27 2br2 h VAL 106 CO 0.04 0.11 0.06 0.40 0.02 0.00 0.00 177.57 178.20 2br2 h ILE 107 N 0.63 1.22 -0.48 4.57 2.04 -0.69 -2.06 117.51 122.73 2br2 h ILE 107 Ca 0.24 -0.72 0.09 0.00 1.00 0.00 0.00 64.86 65.47 2br2 h ILE 107 Cb 0.09 1.18 -0.07 0.00 -0.74 0.00 0.00 36.82 37.28 2br2 h ILE 107 CO -0.13 0.23 0.06 -0.09 0.00 0.00 0.00 178.15 178.22 2br2 h ARG 108 N 0.26 0.17 -0.60 2.37 2.43 -0.49 -1.30 114.38 117.22 2br2 h ARG 108 Ca 0.08 -0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.20 2br2 h ARG 108 Cb 0.29 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.78 2br2 h ARG 108 CO 0.00 0.12 0.19 0.93 -1.51 0.00 0.00 179.97 179.70 2br2 h GLU 109 N 0.18 0.91 -0.54 0.20 5.08 -0.96 0.41 114.58 119.85 2br2 h GLU 109 Ca 0.24 -0.17 0.02 0.00 -1.00 0.00 0.00 59.36 58.45 2br2 h GLU 109 Cb 0.34 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.42 2br2 h GLU 109 CO -0.36 0.78 0.34 0.00 -1.00 0.00 0.00 179.01 178.77 2br2 h ALA 110 N 1.33 0.69 -0.17 3.43 0.00 -0.64 -2.56 119.26 121.35 2br2 h ALA 110 Ca 0.20 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.95 2br2 h ALA 110 Cb 0.25 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2br2 h ALA 110 CO -0.01 0.07 -0.50 -0.07 0.00 0.00 0.00 179.25 178.74 2br2 h LEU 111 N 0.68 0.49 -1.82 0.00 3.38 -0.39 -2.93 115.31 114.71 2br2 h LEU 111 Ca 0.21 -0.25 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 2br2 h LEU 111 Cb -0.02 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.59 2br2 h LEU 111 CO -0.08 0.91 -0.14 -0.33 0.09 0.00 0.00 178.44 178.89 2br2 h GLU 112 N 0.36 0.00 0.00 1.13 5.08 -0.57 0.12 114.58 120.69 2br2 h GLU 112 Ca 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 2br2 h GLU 112 Cb 1.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.26 2br2 h GLU 112 CO 0.09 0.14 0.00 0.66 -1.00 0.00 0.00 179.01 178.90 2br2 h SER 113 N 0.00 0.00 0.00 1.42 4.64 -1.28 -3.34 113.55 114.99 2br2 h SER 113 Ca -0.00 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 61.01 2br2 h SER 113 Cb 0.29 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.33 2br2 h SER 113 CO 0.02 0.00 -2.12 0.00 -0.87 0.00 0.00 176.83 173.86 2br2 n ALA 114 N -1.82 1.61 -2.49 5.18 0.00 -0.30 -4.85 120.51 117.83 2br2 n ALA 114 Ca 0.04 -0.83 -0.42 0.00 0.00 0.00 0.00 53.44 52.24 2br2 n ALA 114 Cb 0.37 0.11 -0.03 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 -2.38 4.29 -1.27 0.00 1.01 0.25 0.20 120.40 122.49 2br2 s VAL 115 Ca -0.27 1.65 -0.16 0.00 0.00 0.00 0.00 61.98 63.20 2br2 s VAL 115 Cb 0.08 -4.06 -0.01 0.00 0.00 0.00 0.00 36.38 32.39 2br2 s VAL 115 CO 0.42 0.14 2.13 0.18 0.00 0.00 0.00 175.10 177.97 2br2 n LEU 116 N 3.85 6.04 0.30 3.92 4.77 -0.82 -4.75 117.00 130.31 2br2 n LEU 116 Ca 0.08 -3.80 0.16 0.00 -0.03 0.00 0.00 56.01 52.42 2br2 n LEU 116 Cb 0.48 -1.52 0.94 0.00 -2.33 0.00 0.00 43.42 40.98 2br2 n LEU 116 CO 0.54 0.66 1.11 -0.37 -1.33 0.00 0.00 177.39 178.00 2br2 h VAL 117 N 4.20 0.42 0.00 4.08 -1.51 -1.89 -2.59 116.25 118.95 2br2 h VAL 117 Ca 0.52 -0.12 -0.02 0.00 -1.23 0.00 0.00 66.70 65.85 2br2 h VAL 117 Cb 0.66 1.08 -0.00 0.00 -2.13 0.00 0.00 31.29 30.90 2br2 h VAL 117 CO 1.89 0.02 -0.11 -0.33 -1.23 0.00 0.00 177.57 177.81 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 0.08 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 27.99 2br2 h GLU 118 CO 0.00 0.11 -0.03 -0.07 -1.40 0.00 0.00 179.01 177.62 2br2 h LEU 119 N 0.00 0.00 -5.97 1.33 4.07 -1.73 -3.36 115.31 109.64 2br2 h LEU 119 Ca -0.00 0.00 -0.57 0.00 0.08 0.00 0.00 57.88 57.39 2br2 h LEU 119 Cb 0.33 0.00 -0.41 0.00 1.08 0.00 0.00 40.66 41.66 2br2 h LEU 119 CO 0.01 0.03 -0.82 0.49 -1.08 0.00 0.00 178.44 177.08 2br2 n PHE 120 N -3.21 2.17 -1.69 1.13 3.01 -0.75 -5.04 117.46 113.08 2br2 n PHE 120 Ca -0.01 -3.92 -0.35 0.00 1.01 0.00 0.00 57.45 54.17 2br2 n PHE 120 Cb 0.20 -0.47 0.07 0.00 -0.01 0.00 0.00 39.48 39.27 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 -2.26 2.50 -0.76 -1.08 0.02 -1.26 -2.48 135.00 129.69 2br2 s PRO 121 Ca 0.40 1.86 0.00 0.00 0.02 0.00 0.00 61.00 63.28 2br2 s PRO 121 Cb 0.20 -1.86 0.00 0.00 0.02 0.00 0.00 34.50 32.85 2br2 s PRO 121 CO -0.07 -1.58 0.00 0.54 -0.33 0.00 0.00 177.00 175.56 2br2 n ARG 122 N -2.17 -1.41 -4.30 5.54 5.12 -0.24 -4.87 116.66 114.35 2br2 n ARG 122 Ca 0.14 0.69 -0.25 0.00 -1.93 0.00 0.00 57.85 56.51 2br2 n ARG 122 Cb 0.49 -4.89 -0.08 0.00 -1.16 0.00 0.00 32.46 26.82 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 -1.81 2.52 -0.00 0.55 -4.23 -1.16 -3.19 115.64 108.32 2br2 s THR 123 Ca 0.00 -1.89 0.08 0.00 -1.18 0.00 0.00 61.69 58.70 2br2 s THR 123 Cb 0.00 -2.88 -0.02 0.00 1.34 0.00 0.00 72.50 70.94 2br2 s THR 123 CO 0.00 -0.13 -0.25 0.00 -0.54 0.00 0.00 174.62 173.70 2br2 s ALA 124 N -2.55 2.11 -0.24 3.99 0.00 0.65 -0.91 121.76 124.81 2br2 s ALA 124 Ca 0.37 -1.12 -0.01 0.00 0.00 0.00 0.00 51.96 51.20 2br2 s ALA 124 Cb 0.02 -0.51 0.03 0.00 0.00 0.00 0.00 23.12 22.65 2br2 s ALA 124 CO 0.20 0.51 -0.08 0.42 0.00 0.00 0.00 175.76 176.81 2br2 s ILE 125 N -0.64 2.73 -0.20 0.00 1.01 0.01 -2.25 121.20 121.86 2br2 s ILE 125 Ca 0.10 -1.06 -0.14 0.00 0.00 0.00 0.00 60.65 59.55 2br2 s ILE 125 Cb -0.10 -2.38 -0.04 0.00 0.01 0.00 0.00 42.46 39.95 2br2 s ILE 125 CO -0.00 0.22 0.29 -1.81 0.00 0.00 0.00 174.94 173.64 2br2 s ASP 126 N 1.30 6.34 -0.25 3.58 1.01 -1.08 -1.41 116.67 126.17 2br2 s ASP 126 Ca -0.00 0.39 0.02 0.00 0.71 0.00 0.00 52.55 53.67 2br2 s ASP 126 Cb -0.16 -2.18 0.06 0.00 1.01 0.00 0.00 42.92 41.64 2br2 s ASP 126 CO -0.05 0.02 -0.11 -0.69 0.21 0.00 0.00 175.17 174.55 2br2 s VAL 127 N 0.97 2.04 -0.18 -1.27 1.01 0.10 -1.12 120.40 121.95 2br2 s VAL 127 Ca 0.15 -1.49 -0.05 0.00 0.00 0.00 0.00 61.98 60.59 2br2 s VAL 127 Cb -0.14 -2.14 -0.03 0.00 0.00 0.00 0.00 36.38 34.07 2br2 s VAL 127 CO 0.05 0.02 -0.00 -0.36 0.00 0.00 0.00 175.10 174.81 2br2 s PHE 128 N 1.18 3.08 -0.06 5.22 0.40 0.27 -1.62 117.98 126.44 2br2 s PHE 128 Ca -0.07 -0.26 0.05 0.00 -0.60 0.00 0.00 56.93 56.05 2br2 s PHE 128 Cb -0.19 -2.03 -0.00 0.00 0.51 0.00 0.00 43.02 41.31 2br2 s PHE 128 CO -0.06 -0.06 -0.22 0.99 0.70 0.00 0.00 175.22 176.58 2br2 s THR 129 N 0.58 1.81 -0.09 0.64 2.01 -0.00 -0.76 115.64 119.82 2br2 s THR 129 Ca -0.01 -0.91 0.01 0.00 0.31 0.00 0.00 61.69 61.09 2br2 s THR 129 Cb -0.14 -1.55 0.02 0.00 0.01 0.00 0.00 72.50 70.85 2br2 s THR 129 CO 0.02 0.51 -0.09 -1.61 -0.69 0.00 0.00 174.62 172.76 2br2 s GLU 130 N 0.05 1.50 -0.32 4.92 0.41 0.17 -2.24 118.70 123.18 2br2 s GLU 130 Ca -0.07 -0.29 -0.24 0.00 -0.41 0.00 0.00 54.97 53.96 2br2 s GLU 130 Cb -0.14 -1.43 0.01 0.00 -1.78 0.00 0.00 34.13 30.78 2br2 s GLU 130 CO 0.04 -0.14 0.84 0.42 -0.49 0.00 0.00 175.26 175.93 2br2 s ILE 131 N 1.26 4.73 -0.07 -1.63 1.09 0.66 -0.96 121.20 126.27 2br2 s ILE 131 Ca -0.04 1.21 0.05 0.00 -1.10 0.00 0.00 60.65 60.76 2br2 s ILE 131 Cb -0.14 -4.21 -0.24 0.00 -1.06 0.00 0.00 42.46 36.81 2br2 s ILE 131 CO -0.03 -0.34 0.56 -0.07 -0.10 0.00 0.00 174.94 174.97 2br2 h LEU 132 N 9.64 0.18 -7.64 2.97 3.38 -0.67 -1.90 115.31 121.26 2br2 h LEU 132 Ca -0.24 -0.39 -0.21 0.00 0.09 0.00 0.00 57.88 57.13 2br2 h LEU 132 Cb 1.09 -0.06 -0.27 0.00 0.09 0.00 0.00 40.66 41.51 2br2 h LEU 132 CO 0.92 1.35 -0.63 -1.10 0.09 0.00 0.00 178.44 179.07 2br2 s GLN 133 N -2.58 0.09 -0.15 1.13 -0.21 -1.12 -4.11 119.66 112.71 2br2 s GLN 133 Ca -0.12 0.12 -0.01 0.00 0.02 0.00 0.00 55.36 55.37 2br2 s GLN 133 Cb 0.07 0.04 -0.01 0.00 1.00 0.00 0.00 33.01 34.10 2br2 s GLN 133 CO 0.81 -0.02 -0.10 0.00 -2.12 0.00 0.00 175.29 173.85 2br2 s ALA 134 N 0.09 2.70 -0.33 6.09 0.00 0.50 -0.93 121.76 129.87 2br2 s ALA 134 Ca -0.00 -0.93 0.16 0.00 0.00 0.00 0.00 51.96 51.19 2br2 s ALA 134 Cb -0.01 -1.35 0.45 0.00 0.00 0.00 0.00 23.12 22.21 2br2 s ALA 134 CO -0.00 0.11 1.01 -3.47 0.00 0.00 0.00 175.76 173.42 2br2 n ASP 135 N 3.77 0.88 -0.90 0.00 2.03 -1.26 -4.79 116.55 116.28 2br2 n ASP 135 Ca -0.18 -2.67 0.00 0.00 0.52 0.00 0.00 54.79 52.45 2br2 n ASP 135 Cb 0.52 -0.27 0.00 0.00 -0.72 0.00 0.00 41.12 40.65 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 -0.14 -1.36 -0.92 -1.67 0.00 -1.26 -3.30 120.51 111.86 2br2 n ALA 136 Ca 0.07 0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.79 2br2 n ALA 136 Cb 0.82 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 19.22 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 -2.05 0.51 0.27 0.00 0.00 -1.26 -4.76 105.19 97.89 2br2 n GLY 137 Ca 0.00 -0.33 0.01 0.00 0.00 0.00 0.00 46.02 45.70 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 0.50 -0.52 1.61 0.02 -1.95 -1.31 113.55 111.90 2br2 h SER 138 Ca 0.00 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 2br2 h SER 138 Cb 0.00 -0.04 -0.03 0.00 0.14 0.00 0.00 62.40 62.47 2br2 h SER 138 CO 0.00 0.30 0.34 0.08 -1.14 0.00 0.00 176.83 176.41 2br2 h ARG 139 N 0.64 0.70 0.13 3.45 0.11 -1.99 0.77 114.38 118.20 2br2 h ARG 139 Ca 0.34 -0.05 -0.30 0.00 0.10 0.00 0.00 59.98 60.07 2br2 h ARG 139 Cb 0.31 -0.16 0.03 0.00 1.11 0.00 0.00 29.97 31.27 2br2 h ARG 139 CO -0.24 0.47 -1.25 -0.07 0.10 0.00 0.00 179.97 178.98 2br2 h LEU 140 N 0.72 0.87 -0.50 0.08 3.38 -1.68 -1.87 115.31 116.31 2br2 h LEU 140 Ca 0.19 -0.84 -0.02 0.00 0.09 0.00 0.00 57.88 57.31 2br2 h LEU 140 Cb -0.06 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.39 2br2 h LEU 140 CO -0.04 1.62 0.22 0.58 0.09 0.00 0.00 178.44 180.91 2br2 h VAL 141 N 0.24 1.20 -0.33 1.22 2.07 -0.93 -0.14 116.25 119.58 2br2 h VAL 141 Ca -0.19 -0.58 0.02 0.00 0.82 0.00 0.00 66.70 66.77 2br2 h VAL 141 Cb 1.93 0.66 -0.03 0.00 -1.52 0.00 0.00 31.29 32.34 2br2 h VAL 141 CO 0.24 0.23 0.16 -1.28 0.02 0.00 0.00 177.57 176.94 2br2 h SER 142 N 0.66 0.23 -0.50 0.57 0.87 -0.91 -0.10 113.55 114.38 2br2 h SER 142 Ca 0.17 0.02 0.01 0.00 -1.23 0.00 0.00 61.79 60.75 2br2 h SER 142 Cb 0.14 -0.03 -0.03 0.00 -0.44 0.00 0.00 62.40 62.05 2br2 h SER 142 CO -0.02 0.18 0.33 0.25 -0.53 0.00 0.00 176.83 177.03 2br2 h LEU 143 N 0.34 0.56 -0.42 2.23 5.85 -0.95 -0.22 115.31 122.71 2br2 h LEU 143 Ca 0.14 -0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.76 2br2 h LEU 143 Cb 0.06 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 40.94 2br2 h LEU 143 CO -0.10 0.41 -0.08 0.24 -0.34 0.00 0.00 178.44 178.56 2br2 h MET 144 N 0.67 0.79 -0.68 1.25 2.86 -0.82 0.25 114.93 119.25 2br2 h MET 144 Ca 0.19 -0.29 0.05 0.00 -2.06 0.00 0.00 59.70 57.58 2br2 h MET 144 Cb -0.06 -0.05 -0.05 0.00 0.06 0.00 0.00 31.60 31.50 2br2 h MET 144 CO -0.05 0.91 0.40 0.00 1.06 0.00 0.00 176.91 179.23 2br2 h ALA 145 N 0.86 0.90 0.20 6.32 0.00 -0.77 0.10 119.26 126.86 2br2 h ALA 145 Ca 0.11 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 2br2 h ALA 145 Cb 0.60 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 2br2 h ALA 145 CO 0.04 0.11 -0.15 0.00 0.00 0.00 0.00 179.25 179.25 2br2 h ALA 146 N 1.33 -0.33 -0.60 0.00 0.00 -0.69 0.72 119.26 119.68 2br2 h ALA 146 Ca 0.29 -0.06 0.11 0.00 0.00 0.00 0.00 54.91 55.25 2br2 h ALA 146 Cb 0.12 0.20 -0.08 0.00 0.00 0.00 0.00 17.79 18.03 2br2 h ALA 146 CO -0.15 -0.70 0.14 1.03 0.00 0.00 0.00 179.25 179.57 2br2 h SER 147 N -0.35 0.03 0.22 0.00 0.87 -0.26 0.19 113.55 114.25 2br2 h SER 147 Ca -0.01 0.11 -0.15 0.00 -1.23 0.00 0.00 61.79 60.51 2br2 h SER 147 Cb 0.31 0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 62.41 2br2 h SER 147 CO -0.01 0.02 -0.56 -0.07 -0.53 0.00 0.00 176.83 175.69 2br2 h LEU 148 N 0.28 0.39 -0.82 2.23 3.38 -0.81 -1.73 115.31 118.23 2br2 h LEU 148 Ca 0.31 -0.21 -0.10 0.00 0.09 0.00 0.00 57.88 57.97 2br2 h LEU 148 Cb 0.46 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 2br2 h LEU 148 CO -0.39 0.87 -0.19 0.00 0.09 0.00 0.00 178.44 178.82 2br2 h ALA 149 N 1.14 1.00 -0.43 1.53 0.00 0.20 0.29 119.26 122.98 2br2 h ALA 149 Ca 0.00 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.54 2br2 h ALA 149 Cb 1.06 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 2br2 h ALA 149 CO 0.09 0.59 0.17 -0.07 0.00 0.00 0.00 179.25 180.03 2br2 h LEU 150 N 0.59 0.61 -0.64 0.00 3.38 -0.81 -0.12 115.31 118.32 2br2 h LEU 150 Ca 0.09 -0.18 0.02 0.00 0.09 0.00 0.00 57.88 57.90 2br2 h LEU 150 Cb 0.66 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 41.21 2br2 h LEU 150 CO 0.05 0.62 0.41 0.00 0.09 0.00 0.00 178.44 179.60 2br2 h ALA 151 N 1.01 0.82 -0.29 1.53 0.00 -0.89 -1.89 119.26 119.56 2br2 h ALA 151 Ca 0.14 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 2br2 h ALA 151 Cb 0.21 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2br2 h ALA 151 CO -0.01 0.18 0.13 0.22 0.00 0.00 0.00 179.25 179.77 2br2 h ASP 152 N 0.81 0.35 0.70 0.00 3.58 -0.06 -0.01 116.42 121.80 2br2 h ASP 152 Ca 0.25 -0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.67 2br2 h ASP 152 Cb -0.03 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 40.93 2br2 h ASP 152 CO -0.08 0.30 0.00 0.00 -2.88 0.00 0.00 179.24 176.58 2br2 n ALA 153 N -2.49 2.29 -1.42 -0.78 0.00 -0.09 -4.70 120.51 113.31 2br2 n ALA 153 Ca 0.01 -0.11 -0.05 0.00 0.00 0.00 0.00 53.44 53.29 2br2 n ALA 153 Cb 0.11 -1.44 -0.02 0.00 0.00 0.00 0.00 19.45 18.11 2br2 n ALA 153 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2br2 n GLY 154 N 1.13 0.60 3.66 0.00 0.00 -0.02 -4.90 105.19 105.66 2br2 n GLY 154 Ca 0.10 -0.79 -0.43 0.00 0.00 0.00 0.00 46.02 44.90 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 4.72 0.21 -0.61 1.01 -0.78 -5.00 121.20 118.55 2br2 s ILE 155 Ca 0.00 1.95 -0.31 0.00 0.00 0.00 0.00 60.65 62.29 2br2 s ILE 155 Cb 0.00 -4.28 -0.11 0.00 0.01 0.00 0.00 42.46 38.09 2br2 s ILE 155 CO 0.00 -0.14 1.57 -2.84 0.00 0.00 0.00 174.94 173.52 2br2 s PRO 156 N 3.03 4.20 0.18 2.79 0.02 -1.26 -4.52 135.00 139.43 2br2 s PRO 156 Ca 0.43 2.42 0.02 0.00 0.02 0.00 0.00 61.00 63.89 2br2 s PRO 156 Cb -0.15 -3.11 -0.05 0.00 0.02 0.00 0.00 34.50 31.21 2br2 s PRO 156 CO 0.07 -0.59 0.01 -1.64 -0.33 0.00 0.00 177.00 174.52 2br2 s MET 157 N 0.53 1.13 0.22 5.54 -1.94 -1.26 -1.94 119.30 121.58 2br2 s MET 157 Ca 0.67 -1.55 -0.05 0.00 -1.71 0.00 0.00 55.69 53.05 2br2 s MET 157 Cb -0.45 -0.28 0.21 0.00 2.01 0.00 0.00 34.83 36.32 2br2 s MET 157 CO 0.37 -0.14 1.68 0.00 -0.01 0.00 0.00 175.02 176.92 2br2 h ARG 158 N 2.67 0.85 -1.77 2.03 3.08 -0.57 -3.47 114.38 117.20 2br2 h ARG 158 Ca -0.37 -0.29 0.26 0.00 0.07 0.00 0.00 59.98 59.66 2br2 h ARG 158 Cb 1.21 -0.07 -0.11 0.00 0.08 0.00 0.00 29.97 31.07 2br2 h ARG 158 CO 0.63 0.91 0.70 0.34 -1.07 0.00 0.00 179.97 181.48 2br2 s ASP 159 N -6.68 -0.12 0.78 7.04 2.15 -1.26 -5.01 116.67 113.57 2br2 s ASP 159 Ca -0.10 -0.20 -0.11 0.00 0.43 0.00 0.00 52.55 52.57 2br2 s ASP 159 Cb 0.14 0.27 0.06 0.00 -0.30 0.00 0.00 42.92 43.09 2br2 s ASP 159 CO 0.83 -0.50 1.09 -0.76 -0.17 0.00 0.00 175.17 175.66 2br2 s LEU 160 N -2.88 2.72 -0.17 -1.34 1.43 -1.26 -4.93 118.68 112.25 2br2 s LEU 160 Ca 0.13 1.43 -0.02 0.00 -1.03 0.00 0.00 54.13 54.64 2br2 s LEU 160 Cb 0.02 -4.10 -0.01 0.00 0.03 0.00 0.00 46.19 42.13 2br2 s LEU 160 CO -0.02 -1.91 -0.09 -0.63 0.23 0.00 0.00 176.35 173.93 2br2 s ILE 161 N -3.09 3.26 0.05 -0.59 1.01 -1.26 -4.12 121.20 116.46 2br2 s ILE 161 Ca 0.60 -0.56 0.09 0.00 0.00 0.00 0.00 60.65 60.78 2br2 s ILE 161 Cb -0.15 -2.42 -0.03 0.00 0.01 0.00 0.00 42.46 39.87 2br2 s ILE 161 CO 0.55 0.48 -0.26 0.00 0.00 0.00 0.00 174.94 175.71 2br2 s ALA 162 N 0.78 2.25 0.01 9.38 0.00 -0.45 -4.62 121.76 129.11 2br2 s ALA 162 Ca -0.03 -1.27 -0.09 0.00 0.00 0.00 0.00 51.96 50.56 2br2 s ALA 162 Cb -0.15 -0.47 0.01 0.00 0.00 0.00 0.00 23.12 22.51 2br2 s ALA 162 CO 0.01 0.53 0.18 0.20 0.00 0.00 0.00 175.76 176.69 2br2 s GLY 163 N -1.27 0.01 0.01 0.00 0.00 -1.26 -0.35 107.32 104.47 2br2 s GLY 163 Ca 0.12 -0.11 -0.08 0.00 0.00 0.00 0.00 44.72 44.65 2br2 s GLY 163 CO 0.02 -0.27 0.15 -1.34 0.00 0.00 0.00 173.10 171.66 2br2 s VAL 164 N -1.73 0.09 -0.12 1.40 -7.23 -0.25 -4.89 120.40 107.68 2br2 s VAL 164 Ca -0.12 -0.78 -0.20 0.00 -1.81 0.00 0.00 61.98 59.07 2br2 s VAL 164 Cb -0.05 -0.58 -0.04 0.00 0.56 0.00 0.00 36.38 36.27 2br2 s VAL 164 CO 0.00 -0.43 0.57 0.00 -0.31 0.00 0.00 175.10 174.93 2br2 s ALA 165 N -1.75 3.44 0.26 1.32 0.00 -1.26 -0.98 121.76 122.79 2br2 s ALA 165 Ca -0.12 -0.11 0.09 0.00 0.00 0.00 0.00 51.96 51.82 2br2 s ALA 165 Cb -0.06 -2.79 -0.04 0.00 0.00 0.00 0.00 23.12 20.23 2br2 s ALA 165 CO -0.00 -0.12 0.07 0.54 0.00 0.00 0.00 175.76 176.24 2br2 s VAL 166 N 0.89 3.81 0.07 0.00 0.11 -0.38 0.20 120.40 125.10 2br2 s VAL 166 Ca 0.30 -1.73 -0.06 0.00 -2.93 0.00 0.00 61.98 57.57 2br2 s VAL 166 Cb -0.16 -3.04 0.02 0.00 -1.53 0.00 0.00 36.38 31.67 2br2 s VAL 166 CO 0.13 -0.36 0.27 0.61 -3.33 0.00 0.00 175.10 172.42 2br2 n GLY 167 N -0.98 1.28 2.95 6.54 0.00 -0.13 0.13 105.19 114.98 2br2 n GLY 167 Ca -0.07 -1.01 -0.27 0.00 0.00 0.00 0.00 46.02 44.67 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 -2.02 1.73 0.00 1.61 2.20 -1.11 -0.60 119.74 121.55 2br2 s LYS 168 Ca 0.06 -0.35 0.00 0.00 -0.36 0.00 0.00 55.97 55.32 2br2 s LYS 168 Cb -0.01 -1.67 0.00 0.00 -1.51 0.00 0.00 37.83 34.64 2br2 s LYS 168 CO 0.02 -0.20 0.00 0.00 -0.36 0.00 0.00 175.35 174.81 2br2 n ALA 169 N 4.69 0.00 -2.89 3.13 0.00 0.40 -0.55 120.51 125.30 2br2 n ALA 169 Ca -0.15 -0.02 -0.28 0.00 0.00 0.00 0.00 53.44 52.98 2br2 n ALA 169 Cb 0.50 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.92 2br2 n ALA 169 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2br2 n ASP 170 N -1.54 4.72 0.00 0.00 8.00 -1.26 -4.28 116.55 122.19 2br2 n ASP 170 Ca 0.00 -3.69 0.00 0.00 0.71 0.00 0.00 54.79 51.81 2br2 n ASP 170 Cb 0.00 -0.60 0.00 0.00 -0.02 0.00 0.00 41.12 40.50 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 -0.25 2.20 3.73 0.44 0.00 -1.26 -5.01 105.19 105.04 2br2 n GLY 171 Ca 0.33 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 46.00 2br2 n GLY 171 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2br2 s VAL 172 N -3.21 5.37 0.01 1.61 1.01 -1.26 -5.07 120.40 118.86 2br2 s VAL 172 Ca 0.00 0.18 -0.30 0.00 0.00 0.00 0.00 61.98 61.85 2br2 s VAL 172 Cb 0.00 -3.45 -0.04 0.00 0.00 0.00 0.00 36.38 32.90 2br2 s VAL 172 CO 0.00 0.45 1.08 -0.63 0.00 0.00 0.00 175.10 176.00 2br2 s ILE 173 N 0.30 4.50 0.10 2.22 1.01 -1.26 -0.46 121.20 127.62 2br2 s ILE 173 Ca 0.08 1.79 0.03 0.00 0.00 0.00 0.00 60.65 62.55 2br2 s ILE 173 Cb -0.11 -4.15 -0.04 0.00 0.01 0.00 0.00 42.46 38.17 2br2 s ILE 173 CO -0.02 0.11 -0.09 0.27 0.00 0.00 0.00 174.94 175.21 2br2 s ILE 174 N 1.23 0.92 -0.15 2.92 -4.36 0.23 -4.80 121.20 117.20 2br2 s ILE 174 Ca 0.55 -1.75 -0.01 0.00 -0.26 0.00 0.00 60.65 59.17 2br2 s ILE 174 Cb -0.24 -1.48 -0.02 0.00 1.25 0.00 0.00 42.46 41.97 2br2 s ILE 174 CO 0.27 -0.64 -0.10 -0.22 0.24 0.00 0.00 174.94 174.49 2br2 s LEU 175 N -2.65 2.88 -0.24 0.37 2.96 0.34 -0.95 118.68 121.38 2br2 s LEU 175 Ca 0.08 -0.28 -0.05 0.00 -0.22 0.00 0.00 54.13 53.66 2br2 s LEU 175 Cb -0.01 -1.67 0.01 0.00 0.50 0.00 0.00 46.19 45.02 2br2 s LEU 175 CO -0.01 0.15 0.19 -0.67 -1.32 0.00 0.00 176.35 174.69 2br2 n ASP 176 N 3.65 -6.00 -4.77 3.68 2.03 0.13 -4.64 116.55 110.64 2br2 n ASP 176 Ca -0.18 0.68 -0.39 0.00 0.52 0.00 0.00 54.79 55.42 2br2 n ASP 176 Cb 0.52 -3.91 -0.05 0.00 -0.72 0.00 0.00 41.12 36.96 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 -1.55 4.46 1.15 -2.67 1.43 -1.24 -4.76 118.68 115.48 2br2 s LEU 177 Ca 0.08 2.03 -0.13 0.00 -1.03 0.00 0.00 54.13 55.08 2br2 s LEU 177 Cb -0.02 -3.82 0.26 0.00 0.03 0.00 0.00 46.19 42.64 2br2 s LEU 177 CO 0.52 -0.10 0.94 0.59 0.23 0.00 0.00 176.35 178.52 2br2 n ASN 178 N 0.90 -1.59 -0.28 2.29 5.03 -1.26 -4.59 115.26 115.76 2br2 n ASN 178 Ca 0.00 -0.09 -0.06 0.00 0.87 0.00 0.00 54.58 55.30 2br2 n ASN 178 Cb 0.48 -1.26 0.06 0.00 -1.02 0.00 0.00 39.78 38.04 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 -2.55 1.12 -0.50 3.52 4.81 -1.90 -0.85 114.58 118.23 2br2 h GLU 179 Ca -0.59 -0.18 0.05 0.00 -0.13 0.00 0.00 59.36 58.51 2br2 h GLU 179 Cb 1.33 -0.19 -0.05 0.00 0.63 0.00 0.00 28.75 30.47 2br2 h GLU 179 CO 0.47 0.89 0.23 1.15 -0.73 0.00 0.00 179.01 181.02 2br2 h THR 180 N 1.09 0.92 -0.29 0.32 2.02 -1.93 0.13 112.91 115.16 2br2 h THR 180 Ca 0.26 -0.15 -0.16 0.00 0.77 0.00 0.00 66.41 67.13 2br2 h THR 180 Cb 0.17 0.43 -0.01 0.00 -1.74 0.00 0.00 68.15 67.00 2br2 h THR 180 CO -0.03 0.08 -0.45 -0.33 0.37 0.00 0.00 175.52 175.17 2br2 h GLU 181 N 0.45 0.74 -0.07 6.66 5.08 -1.90 -1.37 114.58 124.17 2br2 h GLU 181 Ca 0.23 -0.41 0.02 0.00 -1.00 0.00 0.00 59.36 58.19 2br2 h GLU 181 Cb 0.17 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 2br2 h GLU 181 CO -0.18 1.04 -0.02 0.22 -1.00 0.00 0.00 179.01 179.06 2br2 h ASP 182 N 0.60 -0.08 -0.50 1.42 1.82 -0.80 0.14 116.42 119.01 2br2 h ASP 182 Ca 0.04 0.02 -0.07 0.00 -0.39 0.00 0.00 57.03 56.63 2br2 h ASP 182 Cb 1.01 0.05 -0.02 0.00 0.68 0.00 0.00 39.33 41.05 2br2 h ASP 182 CO 0.10 -0.03 0.04 -0.03 -1.61 0.00 0.00 179.24 177.71 2br2 h MET 183 N -0.01 0.84 0.00 0.28 4.05 -0.62 -3.35 114.93 116.12 2br2 h MET 183 Ca 0.04 -0.25 0.00 0.00 -0.28 0.00 0.00 59.70 59.21 2br2 h MET 183 Cb 0.06 -0.09 0.00 0.00 -0.80 0.00 0.00 31.60 30.78 2br2 h MET 183 CO -0.08 0.86 -0.66 0.91 0.23 0.00 0.00 176.91 178.17 2br2 n TRP 184 N -4.37 0.00 -1.11 1.39 7.02 -0.53 -5.02 117.44 114.82 2br2 n TRP 184 Ca 0.01 0.00 -0.29 0.00 -1.02 0.00 0.00 57.50 56.20 2br2 n TRP 184 Cb 0.28 -0.03 0.19 0.00 -2.42 0.00 0.00 31.31 29.34 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 -2.23 1.56 0.23 6.99 0.00 0.47 -4.98 107.32 109.36 2br2 s GLY 185 Ca 0.03 -0.45 0.18 0.00 0.00 0.00 0.00 44.72 44.48 2br2 s GLY 185 CO 0.47 0.22 1.23 0.83 0.00 0.00 0.00 173.10 175.85 2br2 h GLU 186 N -2.08 0.00 -2.68 2.90 3.07 -1.00 -3.48 114.58 111.30 2br2 h GLU 186 Ca -0.54 0.00 -0.09 0.00 -0.50 0.00 0.00 59.36 58.23 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 0.54 0.30 -0.08 0.00 -1.40 0.00 0.00 179.01 178.37 2br2 s ALA 187 N -3.04 -1.16 -0.08 3.43 0.00 -1.21 -0.83 121.76 118.86 2br2 s ALA 187 Ca 0.02 0.66 -0.03 0.00 0.00 0.00 0.00 51.96 52.60 2br2 s ALA 187 Cb 0.08 0.11 0.05 0.00 0.00 0.00 0.00 23.12 23.35 2br2 s ALA 187 CO 0.76 -0.34 0.16 0.34 0.00 0.00 0.00 175.76 176.68 2br2 s ASP 188 N -1.41 0.67 -0.44 0.00 2.15 0.42 -2.73 116.67 115.32 2br2 s ASP 188 Ca -0.11 0.33 0.02 0.00 0.43 0.00 0.00 52.55 53.22 2br2 s ASP 188 Cb -0.03 0.27 0.15 0.00 -0.30 0.00 0.00 42.92 43.01 2br2 s ASP 188 CO 0.05 -0.24 0.28 -0.32 -0.17 0.00 0.00 175.17 174.78 2br2 s MET 189 N 2.19 1.16 0.14 4.34 -2.45 0.12 -0.87 119.30 123.93 2br2 s MET 189 Ca 0.02 -2.02 -0.31 0.00 -1.25 0.00 0.00 55.69 52.13 2br2 s MET 189 Cb -0.12 -2.02 -0.09 0.00 1.25 0.00 0.00 34.83 33.85 2br2 s MET 189 CO -0.06 -1.24 1.47 -1.25 1.05 0.00 0.00 175.02 175.00 2br2 s PRO 190 N 0.26 4.27 -0.04 4.11 0.04 -1.07 -1.25 135.00 141.33 2br2 s PRO 190 Ca 0.22 2.21 0.02 0.00 0.04 0.00 0.00 61.00 63.49 2br2 s PRO 190 Cb -0.16 -3.20 0.01 0.00 0.04 0.00 0.00 34.50 31.19 2br2 s PRO 190 CO -0.06 -0.51 -0.08 0.42 0.04 0.00 0.00 177.00 176.81 2br2 s ILE 191 N 1.08 0.74 -0.01 0.56 1.01 -0.15 -1.79 121.20 122.64 2br2 s ILE 191 Ca 0.67 -0.29 0.04 0.00 0.00 0.00 0.00 60.65 61.06 2br2 s ILE 191 Cb -0.40 -0.70 -0.01 0.00 0.01 0.00 0.00 42.46 41.36 2br2 s ILE 191 CO 0.31 0.25 -0.13 0.00 0.00 0.00 0.00 174.94 175.37 2br2 s ALA 192 N 0.51 1.09 0.17 9.38 0.00 -0.07 -1.09 121.76 131.75 2br2 s ALA 192 Ca -0.08 -0.56 0.02 0.00 0.00 0.00 0.00 51.96 51.34 2br2 s ALA 192 Cb -0.12 -0.29 -0.05 0.00 0.00 0.00 0.00 23.12 22.67 2br2 s ALA 192 CO 0.01 0.26 -0.02 -1.64 0.00 0.00 0.00 175.76 174.37 2br2 s MET 193 N -0.27 1.09 -0.83 0.00 1.00 0.52 -0.19 119.30 120.63 2br2 s MET 193 Ca 0.04 -1.51 -0.18 0.00 0.00 0.00 0.00 55.69 54.04 2br2 s MET 193 Cb -0.05 -0.35 0.14 0.00 0.00 0.00 0.00 34.83 34.57 2br2 s MET 193 CO -0.00 -0.08 0.97 -1.64 0.00 0.00 0.00 175.02 174.26 2br2 s MET 194 N -3.87 3.47 0.26 2.03 -1.94 0.19 -1.34 119.30 118.09 2br2 s MET 194 Ca 0.22 -1.76 -0.03 0.00 -1.71 0.00 0.00 55.69 52.40 2br2 s MET 194 Cb 0.05 -4.65 0.37 0.00 2.01 0.00 0.00 34.83 32.61 2br2 s MET 194 CO 0.03 -1.64 1.89 -1.35 -0.01 0.00 0.00 175.02 173.94 2br2 h PRO 195 N 8.73 1.16 0.00 2.03 0.11 -1.83 -1.39 132.00 140.81 2br2 h PRO 195 Ca 0.04 -0.07 -0.02 0.00 0.11 0.00 0.00 66.00 66.06 2br2 h PRO 195 Cb 1.04 -0.26 -0.00 0.00 0.11 0.00 0.00 31.00 31.89 2br2 h PRO 195 CO 1.04 0.77 -0.08 0.77 -0.21 0.00 0.00 178.00 180.29 2br2 h SER 196 N 1.20 0.00 0.00 -2.05 0.02 -1.93 -2.54 113.55 108.25 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 0.10 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.64 2br2 h SER 196 CO -0.15 0.08 -0.60 0.18 -1.14 0.00 0.00 176.83 175.20 2br2 n LEU 197 N -4.11 1.74 -3.75 5.07 4.77 -0.58 -4.97 117.00 115.16 2br2 n LEU 197 Ca -0.03 -0.67 -0.28 0.00 -0.03 0.00 0.00 56.01 55.00 2br2 n LEU 197 Cb 0.16 -0.01 0.03 0.00 -2.33 0.00 0.00 43.42 41.27 2br2 n LEU 197 CO 0.32 0.34 0.09 0.59 -1.33 0.00 0.00 177.39 177.40 2br2 n ASN 198 N -0.41 -4.88 -4.43 -1.43 5.03 -0.85 -4.97 115.26 103.31 2br2 n ASN 198 Ca 0.08 -0.67 -0.34 0.00 0.87 0.00 0.00 54.58 54.52 2br2 n ASN 198 Cb 0.43 -3.91 -0.13 0.00 -1.02 0.00 0.00 39.78 35.15 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 -6.45 3.56 -0.19 3.52 -1.52 -1.14 -5.00 119.66 112.45 2br2 s GLN 199 Ca 0.60 -0.56 -0.24 0.00 -1.95 0.00 0.00 55.36 53.21 2br2 s GLN 199 Cb -0.30 -2.97 -0.01 0.00 -0.22 0.00 0.00 33.01 29.50 2br2 s GLN 199 CO 0.74 0.06 0.80 0.08 -0.25 0.00 0.00 175.29 176.71 2br2 s VAL 200 N 0.85 4.90 -0.16 1.09 1.01 -1.26 -0.64 120.40 126.18 2br2 s VAL 200 Ca -0.01 1.54 -0.06 0.00 0.00 0.00 0.00 61.98 63.46 2br2 s VAL 200 Cb -0.14 -4.10 -0.23 0.00 0.00 0.00 0.00 36.38 31.90 2br2 s VAL 200 CO 0.02 0.03 0.21 0.41 0.00 0.00 0.00 175.10 175.76 2br2 n THR 201 N 4.81 1.70 -3.97 3.92 -1.04 0.74 -4.94 114.28 115.50 2br2 n THR 201 Ca 0.04 -0.59 -0.15 0.00 -2.04 0.00 0.00 64.05 61.30 2br2 n THR 201 Cb 0.49 -1.69 -0.15 0.00 -1.82 0.00 0.00 70.33 67.15 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 -7.00 1.57 -0.22 -4.42 0.20 -0.97 -4.22 118.68 103.63 2br2 s LEU 202 Ca -0.26 -0.04 -0.04 0.00 0.69 0.00 0.00 54.13 54.49 2br2 s LEU 202 Cb 0.07 -0.18 0.11 0.00 -0.43 0.00 0.00 46.19 45.76 2br2 s LEU 202 CO 0.71 -0.04 0.34 0.12 -0.29 0.00 0.00 176.35 177.20 2br2 s PHE 203 N 0.49 -0.67 0.02 5.38 5.36 -1.26 -0.90 117.98 126.41 2br2 s PHE 203 Ca -0.05 0.83 0.01 0.00 -0.96 0.00 0.00 56.93 56.76 2br2 s PHE 203 Cb -0.08 -0.02 -0.02 0.00 -0.34 0.00 0.00 43.02 42.56 2br2 s PHE 203 CO -0.01 -0.62 -0.04 -0.65 -1.46 0.00 0.00 175.22 172.44 2br2 s GLN 204 N 2.50 0.35 -0.05 10.12 -0.21 -0.74 -5.05 119.66 126.57 2br2 s GLN 204 Ca 0.08 -0.52 0.01 0.00 0.02 0.00 0.00 55.36 54.95 2br2 s GLN 204 Cb -0.15 -0.09 0.02 0.00 1.00 0.00 0.00 33.01 33.79 2br2 s GLN 204 CO -0.14 0.01 -0.04 -1.17 -2.12 0.00 0.00 175.29 171.83 2br2 s LEU 205 N -1.14 1.18 0.09 2.90 2.96 -1.26 -2.58 118.68 120.84 2br2 s LEU 205 Ca -0.10 -0.13 0.09 0.00 -0.22 0.00 0.00 54.13 53.77 2br2 s LEU 205 Cb -0.08 -0.47 -0.04 0.00 0.50 0.00 0.00 46.19 46.11 2br2 s LEU 205 CO -0.00 -0.08 -0.21 0.54 -1.32 0.00 0.00 176.35 175.27 2br2 s ASN 206 N 1.16 3.64 0.00 3.68 2.20 -0.05 -5.00 114.94 120.57 2br2 s ASN 206 Ca -0.07 -0.58 0.00 0.00 -0.94 0.00 0.00 52.86 51.27 2br2 s ASN 206 Cb -0.14 -0.45 0.00 0.00 -2.00 0.00 0.00 41.25 38.66 2br2 s ASN 206 CO -0.01 0.21 0.00 0.61 -2.94 0.00 0.00 177.10 174.96 2br2 n GLY 207 N 1.11 0.85 3.49 0.45 0.00 -1.26 -0.44 105.19 109.39 2br2 n GLY 207 Ca -0.16 -1.66 -0.11 0.00 0.00 0.00 0.00 46.02 44.09 2br2 n GLY 207 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2br2 s SER 208 N -4.00 -0.70 0.01 1.61 0.15 -0.01 -4.95 113.70 105.81 2br2 s SER 208 Ca 0.00 1.22 -0.17 0.00 0.70 0.00 0.00 55.95 57.70 2br2 s SER 208 Cb 0.00 1.16 0.03 0.00 -1.71 0.00 0.00 66.02 65.50 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 0.99 0.81 0.50 5.44 -1.94 -1.26 -4.41 119.30 119.44 2br2 s MET 209 Ca -0.05 -0.25 -0.17 0.00 -1.71 0.00 0.00 55.69 53.51 2br2 s MET 209 Cb -0.05 0.36 -0.08 0.00 2.01 0.00 0.00 34.83 37.07 2br2 s MET 209 CO -0.09 -0.25 0.97 0.95 -0.01 0.00 0.00 175.02 176.59 2br2 s THR 210 N -1.89 4.53 0.31 2.05 -4.23 -1.26 -4.85 115.64 110.30 2br2 s THR 210 Ca -0.09 1.22 0.08 0.00 -1.18 0.00 0.00 61.69 61.71 2br2 s THR 210 Cb -0.03 -3.71 0.30 0.00 1.34 0.00 0.00 72.50 70.41 2br2 s THR 210 CO 0.01 -0.66 1.72 -0.65 -0.54 0.00 0.00 174.62 174.51 2br2 h PRO 211 N 1.00 0.54 -0.25 3.99 0.11 -2.01 0.28 132.00 135.66 2br2 h PRO 211 Ca -0.47 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.60 2br2 h PRO 211 Cb 1.18 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 2br2 h PRO 211 CO 0.62 0.35 0.12 -0.44 -0.21 0.00 0.00 178.00 178.44 2br2 h ASP 212 N 0.55 0.32 -0.42 -2.05 3.32 -1.99 -0.71 116.42 115.43 2br2 h ASP 212 Ca 0.62 -0.11 0.00 0.00 0.02 0.00 0.00 57.03 57.56 2br2 h ASP 212 Cb 1.16 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 40.61 2br2 h ASP 212 CO -0.48 0.34 0.27 -0.33 -1.72 0.00 0.00 179.24 177.32 2br2 h GLU 213 N 0.27 0.56 -0.56 3.56 5.08 -1.64 -0.27 114.58 121.57 2br2 h GLU 213 Ca 0.09 -0.04 0.10 0.00 -1.00 0.00 0.00 59.36 58.50 2br2 h GLU 213 Cb 0.10 -0.12 -0.08 0.00 0.50 0.00 0.00 28.75 29.16 2br2 h GLU 213 CO -0.01 0.39 0.15 0.35 -1.00 0.00 0.00 179.01 178.89 2br2 h PHE 214 N 0.57 0.25 -0.42 4.33 3.57 -0.24 0.90 116.94 125.89 2br2 h PHE 214 Ca 0.15 0.03 -0.11 0.00 3.53 0.00 0.00 57.97 61.57 2br2 h PHE 214 Cb -0.05 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 38.65 2br2 h PHE 214 CO -0.04 0.02 -0.20 0.00 -2.23 0.00 0.00 178.31 175.86 2br2 h ARG 215 N 0.30 0.83 0.01 1.11 3.08 -0.61 -1.25 114.38 117.84 2br2 h ARG 215 Ca 0.29 -0.33 -0.00 0.00 0.07 0.00 0.00 59.98 60.01 2br2 h ARG 215 Cb 0.39 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.40 2br2 h ARG 215 CO -0.34 0.95 -0.01 1.96 -1.07 0.00 0.00 179.97 181.47 2br2 h GLN 216 N 0.73 -0.02 -0.72 0.04 4.20 -0.49 -2.29 115.11 116.56 2br2 h GLN 216 Ca 0.10 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.81 2br2 h GLN 216 Cb 0.72 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.47 2br2 h GLN 216 CO 0.06 0.12 0.42 0.00 -0.67 0.00 0.00 178.83 178.75 2br2 h ALA 217 N 0.84 0.92 -0.31 3.87 0.00 -0.75 -2.01 119.26 121.81 2br2 h ALA 217 Ca -0.00 -0.10 0.06 0.00 0.00 0.00 0.00 54.91 54.87 2br2 h ALA 217 Cb 0.14 -0.29 -0.05 0.00 0.00 0.00 0.00 17.79 17.59 2br2 h ALA 217 CO 0.00 0.40 -0.03 0.35 0.00 0.00 0.00 179.25 179.98 2br2 h PHE 218 N 0.98 -0.08 -0.78 0.00 3.57 -1.19 0.31 116.94 119.76 2br2 h PHE 218 Ca 0.26 0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.84 2br2 h PHE 218 Cb -0.01 0.08 -0.06 0.00 2.79 0.00 0.00 35.95 38.76 2br2 h PHE 218 CO -0.01 -0.09 0.47 -0.44 -2.23 0.00 0.00 178.31 176.02 2br2 h ASP 219 N 0.05 0.74 -0.36 0.41 3.32 -0.96 -2.37 116.42 117.25 2br2 h ASP 219 Ca 0.15 0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.19 2br2 h ASP 219 Cb 0.21 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.61 2br2 h ASP 219 CO -0.28 0.48 0.13 0.25 -1.72 0.00 0.00 179.24 178.10 2br2 h LEU 220 N 0.88 0.52 -0.91 1.55 5.85 -0.73 -2.85 115.31 119.62 2br2 h LEU 220 Ca 0.34 -0.19 0.12 0.00 0.84 0.00 0.00 57.88 58.99 2br2 h LEU 220 Cb 0.15 -0.14 -0.08 0.00 0.37 0.00 0.00 40.66 40.96 2br2 h LEU 220 CO -0.16 0.57 0.54 0.00 -0.34 0.00 0.00 178.44 179.04 2br2 h ALA 221 N 0.97 1.36 -0.57 1.25 0.00 -0.60 -1.79 119.26 119.88 2br2 h ALA 221 Ca 0.12 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 2br2 h ALA 221 Cb 0.22 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 2br2 h ALA 221 CO -0.01 0.11 0.31 0.28 0.00 0.00 0.00 179.25 179.94 2br2 h VAL 222 N 0.84 1.19 -0.60 0.00 2.07 -1.21 0.19 116.25 118.74 2br2 h VAL 222 Ca 0.46 -0.48 -0.04 0.00 0.82 0.00 0.00 66.70 67.46 2br2 h VAL 222 Cb 0.50 0.47 -0.03 0.00 -1.52 0.00 0.00 31.29 30.71 2br2 h VAL 222 CO -0.28 0.20 0.23 0.11 0.02 0.00 0.00 177.57 177.85 2br2 h LYS 223 N 0.77 0.90 0.35 1.57 1.57 -1.23 0.11 116.57 120.61 2br2 h LYS 223 Ca 0.20 -0.17 -0.02 0.00 -1.87 0.00 0.00 60.65 58.79 2br2 h LYS 223 Cb 0.05 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.22 2br2 h LYS 223 CO -0.03 0.78 -0.18 0.78 -0.57 0.00 0.00 179.45 180.23 2br2 h GLY 224 N 0.83 -0.50 0.34 3.86 0.00 -1.05 -3.01 103.07 103.54 2br2 h GLY 224 Ca 0.20 0.19 0.13 0.00 0.00 0.00 0.00 47.33 47.85 2br2 h GLY 224 CO -0.01 -0.19 0.50 -2.22 0.00 0.00 0.00 176.54 174.62 2br2 h ILE 225 N -0.48 0.81 -0.47 2.60 2.04 -0.32 -1.52 117.51 120.18 2br2 h ILE 225 Ca -0.04 -0.26 -0.03 0.00 1.00 0.00 0.00 64.86 65.53 2br2 h ILE 225 Cb 0.38 -0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.43 2br2 h ILE 225 CO 0.07 0.14 0.18 0.78 0.00 0.00 0.00 178.15 179.32 2br2 h ASN 226 N 0.75 0.60 -0.17 1.72 2.35 -0.89 0.40 115.58 120.34 2br2 h ASN 226 Ca 0.46 -0.07 -0.07 0.00 -0.55 0.00 0.00 56.30 56.07 2br2 h ASN 226 Cb 0.57 -0.15 -0.00 0.00 0.05 0.00 0.00 38.32 38.78 2br2 h ASN 226 CO -0.31 0.55 -0.16 0.40 -1.65 0.00 0.00 177.43 176.26 2br2 h ILE 227 N 0.66 1.33 -0.75 2.81 2.04 -1.17 -2.76 117.51 119.68 2br2 h ILE 227 Ca 0.16 -1.31 0.03 0.00 1.00 0.00 0.00 64.86 64.74 2br2 h ILE 227 Cb 0.14 1.80 -0.05 0.00 -0.74 0.00 0.00 36.82 37.98 2br2 h ILE 227 CO -0.02 0.39 0.47 0.40 0.00 0.00 0.00 178.15 179.40 2br2 h ILE 228 N 0.07 1.11 -0.71 -0.67 2.04 -1.12 -2.80 117.51 115.42 2br2 h ILE 228 Ca 0.03 -0.32 0.03 0.00 1.00 0.00 0.00 64.86 65.60 2br2 h ILE 228 Cb 0.69 0.10 -0.04 0.00 -0.74 0.00 0.00 36.82 36.83 2br2 h ILE 228 CO 0.04 0.17 0.44 0.22 0.00 0.00 0.00 178.15 179.02 2br2 h TYR 229 N 0.92 0.83 -0.20 1.37 3.20 -0.86 -0.37 116.97 121.86 2br2 h TYR 229 Ca 0.30 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.16 2br2 h TYR 229 Cb 0.02 -0.27 -0.01 0.00 1.54 0.00 0.00 36.73 38.00 2br2 h TYR 229 CO -0.04 0.47 -0.02 -0.91 -1.64 0.00 0.00 178.16 176.02 2br2 h ASN 230 N 0.86 0.26 -0.13 -2.11 2.35 -1.23 -1.19 115.58 114.39 2br2 h ASN 230 Ca 0.29 -0.04 -0.19 0.00 -0.55 0.00 0.00 56.30 55.81 2br2 h ASN 230 Cb 0.03 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.33 2br2 h ASN 230 CO -0.11 0.34 -0.64 -0.07 -1.65 0.00 0.00 177.43 175.30 2br2 h LEU 231 N 0.28 0.86 -0.55 1.61 3.38 -1.10 -1.95 115.31 117.84 2br2 h LEU 231 Ca 0.07 -0.50 0.00 0.00 0.09 0.00 0.00 57.88 57.54 2br2 h LEU 231 Cb 0.23 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 2br2 h LEU 231 CO 0.01 1.28 0.35 -0.33 0.09 0.00 0.00 178.44 179.84 2br2 h GLU 232 N 0.55 0.74 -0.61 1.13 5.08 -0.58 0.97 114.58 121.86 2br2 h GLU 232 Ca -0.01 -0.06 0.02 0.00 -1.00 0.00 0.00 59.36 58.31 2br2 h GLU 232 Cb 1.24 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 30.29 2br2 h GLU 232 CO 0.13 0.51 0.39 0.00 -1.00 0.00 0.00 179.01 179.04 2br2 h ARG 233 N 0.74 0.76 -0.08 2.33 3.08 -1.17 -1.85 114.38 118.20 2br2 h ARG 233 Ca 0.20 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.20 2br2 h ARG 233 Cb -0.05 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 29.82 2br2 h ARG 233 CO -0.04 0.50 0.05 1.49 -1.07 0.00 0.00 179.97 180.90 2br2 h GLU 234 N 0.78 0.10 -0.16 0.04 4.22 -1.06 -2.88 114.58 115.62 2br2 h GLU 234 Ca 0.23 -0.01 0.05 0.00 0.08 0.00 0.00 59.36 59.71 2br2 h GLU 234 Cb -0.04 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 2br2 h GLU 234 CO -0.07 0.11 0.13 0.00 -2.18 0.00 0.00 179.01 177.00 2br2 h ALA 235 N 0.99 2.01 -0.42 2.92 0.00 -0.43 -0.54 119.26 123.79 2br2 h ALA 235 Ca 0.03 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.80 2br2 h ALA 235 Cb 0.03 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2br2 h ALA 235 CO -0.01 -0.22 -0.28 1.25 0.00 0.00 0.00 179.25 180.00 2br2 h LEU 236 N 0.00 0.93 0.01 0.00 5.85 -1.13 0.77 115.31 121.75 2br2 h LEU 236 Ca 0.08 -0.37 -0.00 0.00 0.84 0.00 0.00 57.88 58.42 2br2 h LEU 236 Cb 0.35 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.12 2br2 h LEU 236 CO -0.00 1.14 -0.01 0.11 -0.34 0.00 0.00 178.44 179.35 2br2 h LYS 237 N 0.76 -0.02 0.00 1.25 1.57 -1.11 -3.39 116.57 115.64 2br2 h LYS 237 Ca 0.09 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 2br2 h LYS 237 Cb 0.84 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.15 2br2 h LYS 237 CO 0.07 0.73 -0.75 -1.13 -0.57 0.00 0.00 179.45 177.80 2br2 n SER 238 N -4.68 0.71 0.00 0.86 3.41 -0.47 -4.96 113.62 108.49 2br2 n SER 238 Ca -0.08 -0.54 0.00 0.00 -0.26 0.00 0.00 58.87 57.99 2br2 n SER 238 Cb 0.36 0.60 0.00 0.00 -0.26 0.00 0.00 64.21 64.91 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 -1.54 0.00 -3.70 4.33 4.01 0.27 -4.92 118.16 116.60 2br2 n LYS 239 Ca 0.05 0.00 -0.12 0.00 -0.51 0.00 0.00 58.31 57.73 2br2 n LYS 239 Cb 0.34 -2.10 -0.12 0.00 -0.51 0.00 0.00 35.03 32.64 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 -2.19 -0.45 -0.02 2.13 5.04 -1.26 -1.37 117.35 119.23 2br2 s TYR 240 Ca 0.00 1.00 0.00 0.00 -2.44 0.00 0.00 57.07 55.63 2br2 s TYR 240 Cb 0.00 0.10 0.03 0.00 0.35 0.00 0.00 41.96 42.44 2br2 s TYR 240 CO 0.00 -0.31 0.03 0.08 -1.34 0.00 0.00 175.55 174.01 2br2 s VAL 241 N 1.69 -0.05 -0.01 3.14 1.01 0.36 -4.84 120.40 121.70 2br2 s VAL 241 Ca -0.06 0.21 0.08 0.00 0.00 0.00 0.00 61.98 62.21 2br2 s VAL 241 Cb -0.10 -0.09 -0.02 0.00 0.00 0.00 0.00 36.38 36.16 2br2 s VAL 241 CO -0.10 0.09 -0.25 -1.61 0.00 0.00 0.00 175.10 173.24 2br2 s GLU 242 N 1.09 2.11 -0.12 2.72 2.02 -1.26 -0.82 118.70 124.44 2br2 s GLU 242 Ca -0.09 -0.93 -0.04 0.00 0.02 0.00 0.00 54.97 53.93 2br2 s GLU 242 Cb -0.13 -2.07 0.06 0.00 0.10 0.00 0.00 34.13 32.09 2br2 s GLU 242 CO -0.03 0.56 0.17 0.12 0.02 0.00 0.00 175.26 176.11 2br2 s PHE 243 N -0.65 -0.19 0.43 1.61 5.36 0.26 -5.00 117.98 119.81 2br2 s PHE 243 Ca 0.10 0.48 -0.22 0.00 -0.96 0.00 0.00 56.93 56.34 2br2 s PHE 243 Cb -0.10 -0.30 -0.09 0.00 -0.34 0.00 0.00 43.02 42.19 2br2 s PHE 243 CO -0.00 -0.36 1.01 -1.59 -1.46 0.00 0.00 175.22 172.82 2br2 s LYS 244 N 2.30 4.07 0.17 10.12 -2.85 -1.26 -0.98 119.74 131.31 2br2 s LYS 244 Ca 0.04 1.35 -0.31 0.00 -1.00 0.00 0.00 55.97 56.05 2br2 s LYS 244 Cb -0.13 -2.30 -0.17 0.00 -2.06 0.00 0.00 37.83 33.17 2br2 s LYS 244 CO -0.07 -0.20 0.73 0.39 0.10 0.00 0.00 175.35 176.29 2br2 n GLU 245 N -0.51 0.25 -3.59 1.78 1.02 -1.26 -4.83 120.64 113.50 2br2 n GLU 245 Ca 0.07 0.09 -0.05 0.00 -0.02 0.00 0.00 57.16 57.25 2br2 n GLU 245 Cb 0.52 -1.26 -0.02 0.00 -0.02 0.00 0.00 31.44 30.66 2br2 n GLU 245 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 2br2 s GLU 246 N -0.83 0.71 0.34 3.49 -1.05 -1.23 -5.00 118.70 115.12 2br2 s GLU 246 Ca 0.69 -0.31 -0.29 0.00 -0.15 0.00 0.00 54.97 54.91 2br2 s GLU 246 Cb -0.96 0.29 -0.11 0.00 -0.44 0.00 0.00 34.13 32.92 2br2 s GLU 246 CO 0.56 -0.31 1.51 0.20 0.95 0.00 0.00 175.26 178.16 2br2 s GLY 247 N -2.55 2.63 0.00 -3.83 0.00 -1.26 -2.84 107.32 99.47 2br2 s GLY 247 Ca 0.09 1.53 0.21 0.00 0.00 0.00 0.00 44.72 46.55 2br2 s GLY 247 CO -0.05 2.33 1.62 -0.62 0.00 0.00 0.00 173.10 176.38