#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2br8 h ALA 2 N 0.00 1.27 -0.52 1.69 0.00 -2.04 -3.25 119.26 116.41 2br8 h ALA 2 Ca 0.00 -0.33 -0.07 0.00 0.00 0.00 0.00 54.91 54.52 2br8 h ALA 2 Cb 0.00 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 2br8 h ALA 2 CO 0.00 0.49 0.06 -0.91 0.00 0.00 0.00 179.25 178.90 2br8 h ASN 3 N 0.21 0.85 0.08 0.00 2.35 -2.00 -2.97 115.58 114.10 2br8 h ASN 3 Ca 0.03 -0.27 -0.00 0.00 -0.55 0.00 0.00 56.30 55.50 2br8 h ASN 3 Cb 0.63 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 38.78 2br8 h ASN 3 CO 0.05 0.91 -0.04 0.25 -1.65 0.00 0.00 177.43 176.95 2br8 h LEU 4 N 0.75 -0.09 -1.47 1.61 5.85 -1.89 -2.31 115.31 117.77 2br8 h LEU 4 Ca 0.16 -0.11 0.20 0.00 0.84 0.00 0.00 57.88 58.96 2br8 h LEU 4 Cb 0.44 0.02 -0.07 0.00 0.37 0.00 0.00 40.66 41.42 2br8 h LEU 4 CO 0.01 0.06 0.60 0.24 -0.34 0.00 0.00 178.44 179.01 2br8 h MET 5 N -0.23 0.42 0.00 1.25 2.86 -1.60 -0.44 114.93 117.20 2br8 h MET 5 Ca -0.01 -0.03 -0.11 0.00 -2.06 0.00 0.00 59.70 57.50 2br8 h MET 5 Cb 0.19 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 31.74 2br8 h MET 5 CO 0.02 0.28 -0.68 0.07 1.06 0.00 0.00 176.91 177.65 2br8 h ARG 6 N 0.44 0.00 -0.04 1.72 0.11 -1.35 -2.44 114.38 112.81 2br8 h ARG 6 Ca 0.48 0.00 -0.05 0.00 0.10 0.00 0.00 59.98 60.51 2br8 h ARG 6 Cb 1.15 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.23 2br8 h ARG 6 CO -0.19 0.39 -0.16 1.25 0.10 0.00 0.00 179.97 181.36 2br8 h LEU 7 N 0.00 0.21 -1.83 0.08 5.85 -0.57 0.30 115.31 119.36 2br8 h LEU 7 Ca -0.04 -0.64 -0.01 0.00 0.84 0.00 0.00 57.88 58.04 2br8 h LEU 7 Cb 1.38 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 42.34 2br8 h LEU 7 CO 0.05 0.81 0.01 0.11 -0.34 0.00 0.00 178.44 179.08 2br8 h LYS 8 N -0.38 0.11 -0.02 1.25 1.57 -1.27 -2.12 116.57 115.70 2br8 h LYS 8 Ca -0.01 -0.01 -0.23 0.00 -1.87 0.00 0.00 60.65 58.53 2br8 h LYS 8 Cb 0.80 -0.02 0.02 0.00 0.08 0.00 0.00 32.23 33.10 2br8 h LYS 8 CO 0.03 0.12 -0.89 1.03 -0.57 0.00 0.00 179.45 179.17 2br8 h SER 9 N 0.11 0.82 -0.93 0.86 0.87 -1.38 -2.72 113.55 111.17 2br8 h SER 9 Ca 0.03 -0.73 0.04 0.00 -1.23 0.00 0.00 61.79 59.90 2br8 h SER 9 Cb 0.07 -0.25 -0.06 0.00 -0.44 0.00 0.00 62.40 61.72 2br8 h SER 9 CO -0.00 1.43 0.60 0.44 -0.53 0.00 0.00 176.83 178.78 2br8 h ASP 10 N 0.28 1.00 0.00 6.23 3.32 0.26 -1.41 116.42 126.10 2br8 h ASP 10 Ca -0.11 -0.01 -0.08 0.00 0.02 0.00 0.00 57.03 56.85 2br8 h ASP 10 Cb 1.55 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 40.86 2br8 h ASP 10 CO 0.18 0.68 -1.93 0.00 -1.72 0.00 0.00 179.24 176.45 2br8 n LEU 11 N -4.50 0.00 0.06 1.55 -0.00 -0.97 -3.89 117.00 109.24 2br8 n LEU 11 Ca 0.12 0.00 0.11 0.00 -0.00 0.00 0.00 56.01 56.25 2br8 n LEU 11 Cb 0.10 0.11 -0.02 0.00 -0.00 0.00 0.00 43.42 43.61 2br8 n LEU 11 CO 0.34 0.11 -0.13 0.49 -0.00 0.00 0.00 177.39 178.21 2br8 n PHE 12 N -2.27 0.63 -1.02 1.47 0.99 -1.02 -4.07 117.46 112.16 2br8 n PHE 12 Ca -0.10 0.18 0.07 0.00 -0.00 0.00 0.00 57.45 57.60 2br8 n PHE 12 Cb 0.64 -0.76 0.27 0.00 -1.00 0.00 0.00 39.48 38.62 2br8 n PHE 12 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.76 176.85 2br8 n ASN 13 N -2.44 3.98 -4.87 4.37 4.13 -0.53 -4.96 115.26 114.94 2br8 n ASN 13 Ca -0.00 -3.08 -0.36 0.00 1.68 0.00 0.00 54.58 52.82 2br8 n ASN 13 Cb 0.53 -0.57 -0.06 0.00 -1.54 0.00 0.00 39.78 38.14 2br8 n ASN 13 CO 0.00 0.00 0.00 -0.60 0.28 0.00 0.00 177.26 176.94 2br8 s ARG 14 N -2.87 3.60 0.00 3.52 6.06 -1.25 -4.95 118.95 123.06 2br8 s ARG 14 Ca 0.44 0.03 0.00 0.00 -2.50 0.00 0.00 55.73 53.69 2br8 s ARG 14 Cb 0.36 -3.16 0.00 0.00 0.06 0.00 0.00 34.95 32.20 2br8 s ARG 14 CO 0.09 0.72 0.00 0.43 -2.50 0.00 0.00 175.30 174.04 2br8 n SER 15 N 1.67 0.00 -4.99 -2.12 7.64 -1.26 -4.71 113.62 109.85 2br8 n SER 15 Ca -0.16 0.00 -0.21 0.00 1.01 0.00 0.00 58.87 59.51 2br8 n SER 15 Cb 0.54 0.00 0.03 0.00 -1.01 0.00 0.00 64.21 63.77 2br8 n SER 15 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 2br8 s PRO 16 N -1.21 2.35 0.36 1.43 0.04 -1.26 -5.15 135.00 131.56 2br8 s PRO 16 Ca 0.00 -1.70 0.08 0.00 0.04 0.00 0.00 61.00 59.43 2br8 s PRO 16 Cb 0.00 -2.50 -0.05 0.00 0.04 0.00 0.00 34.50 31.98 2br8 s PRO 16 CO 0.00 -0.71 0.06 1.41 0.04 0.00 0.00 177.00 177.80 2br8 s MET 17 N -4.51 2.14 -0.03 4.56 1.75 -1.26 -4.99 119.30 116.95 2br8 s MET 17 Ca 0.53 -1.76 -0.30 0.00 -1.25 0.00 0.00 55.69 52.92 2br8 s MET 17 Cb -0.05 -1.96 -0.06 0.00 2.84 0.00 0.00 34.83 35.60 2br8 s MET 17 CO 0.33 0.08 1.64 -0.47 -0.65 0.00 0.00 175.02 175.96 2br8 s TYR 18 N -2.53 2.08 -2.00 4.11 5.04 -1.26 -4.89 117.35 117.90 2br8 s TYR 18 Ca 0.36 0.24 0.12 0.00 -2.44 0.00 0.00 57.07 55.35 2br8 s TYR 18 Cb 0.01 -3.91 0.73 0.00 0.35 0.00 0.00 41.96 39.13 2br8 s TYR 18 CO 0.20 -3.80 1.24 -0.35 -1.34 0.00 0.00 175.55 171.50 2br8 n PRO 19 N 6.81 0.68 0.00 4.97 -0.04 -1.26 -4.89 135.00 141.27 2br8 n PRO 19 Ca 0.17 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.63 2br8 n PRO 19 Cb 0.42 -1.28 0.00 0.00 -0.04 0.00 0.00 33.50 32.60 2br8 n PRO 19 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2br8 n GLY 20 N 0.28 -0.14 3.81 0.55 0.00 -1.26 -5.01 105.19 103.42 2br8 n GLY 20 Ca 0.09 -1.77 -0.33 0.00 0.00 0.00 0.00 46.02 44.02 2br8 n GLY 20 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2br8 s PRO 21 N -2.09 3.64 0.49 1.61 0.04 -1.26 -5.06 135.00 132.35 2br8 s PRO 21 Ca 0.00 1.20 0.02 0.00 0.04 0.00 0.00 61.00 62.26 2br8 s PRO 21 Cb 0.00 -2.08 -0.01 0.00 0.04 0.00 0.00 34.50 32.45 2br8 s PRO 21 CO 0.00 -0.55 0.06 0.95 0.04 0.00 0.00 177.00 177.50 2br8 s THR 22 N -2.32 0.84 0.23 1.26 -4.23 -0.90 -4.99 115.64 105.52 2br8 s THR 22 Ca 0.64 -2.00 -0.05 0.00 -1.18 0.00 0.00 61.69 59.10 2br8 s THR 22 Cb -0.15 -2.14 0.09 0.00 1.34 0.00 0.00 72.50 71.64 2br8 s THR 22 CO 0.29 0.00 1.70 0.50 -0.54 0.00 0.00 174.62 176.57 2br8 h LYS 23 N 1.46 0.90 0.00 3.99 3.64 -1.92 -2.35 116.57 122.28 2br8 h LYS 23 Ca -0.40 -0.27 -0.12 0.00 -1.27 0.00 0.00 60.65 58.59 2br8 h LYS 23 Cb 1.31 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 33.02 2br8 h LYS 23 CO 0.66 0.91 -0.57 -0.44 -2.27 0.00 0.00 179.45 177.73 2br8 h ASP 24 N 0.82 0.00 -2.24 4.20 3.32 -1.97 -3.35 116.42 117.20 2br8 h ASP 24 Ca 0.15 0.00 -0.61 0.00 0.02 0.00 0.00 57.03 56.59 2br8 h ASP 24 Cb 0.52 0.00 -0.41 0.00 0.22 0.00 0.00 39.33 39.66 2br8 h ASP 24 CO 0.03 0.57 -0.52 -0.67 -1.72 0.00 0.00 179.24 176.93 2br8 n ASP 25 N -3.47 4.03 -4.71 6.45 2.03 -0.98 -5.10 116.55 114.80 2br8 n ASP 25 Ca 0.00 -3.48 -0.29 0.00 0.52 0.00 0.00 54.79 51.54 2br8 n ASP 25 Cb 0.67 -0.69 0.15 0.00 -0.72 0.00 0.00 41.12 40.53 2br8 n ASP 25 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 2br8 s PRO 26 N -2.65 0.78 -0.06 -0.67 0.04 -0.92 -2.13 135.00 129.39 2br8 s PRO 26 Ca 0.41 0.33 -0.06 0.00 0.04 0.00 0.00 61.00 61.72 2br8 s PRO 26 Cb 0.16 -1.79 0.02 0.00 0.04 0.00 0.00 34.50 32.92 2br8 s PRO 26 CO -0.02 -2.45 0.18 -1.17 0.04 0.00 0.00 177.00 173.58 2br8 s LEU 27 N -6.21 1.33 -0.23 -3.56 2.96 -0.45 -4.92 118.68 107.59 2br8 s LEU 27 Ca 0.65 0.33 -0.05 0.00 -0.22 0.00 0.00 54.13 54.83 2br8 s LEU 27 Cb -0.16 0.62 -0.02 0.00 0.50 0.00 0.00 46.19 47.13 2br8 s LEU 27 CO 0.55 -0.08 0.01 -0.89 -1.32 0.00 0.00 176.35 174.62 2br8 s THR 28 N 0.02 3.88 -0.18 3.68 2.01 -1.26 0.12 115.64 123.91 2br8 s THR 28 Ca -0.01 -0.32 -0.06 0.00 0.31 0.00 0.00 61.69 61.61 2br8 s THR 28 Cb -0.02 -2.78 -0.03 0.00 0.01 0.00 0.00 72.50 69.68 2br8 s THR 28 CO 0.00 0.39 0.02 -0.69 -0.69 0.00 0.00 174.62 173.65 2br8 s VAL 29 N 1.42 4.38 -0.15 3.82 1.01 0.47 -4.29 120.40 127.07 2br8 s VAL 29 Ca 0.05 -0.18 -0.04 0.00 0.00 0.00 0.00 61.98 61.81 2br8 s VAL 29 Cb -0.15 -2.96 -0.03 0.00 0.00 0.00 0.00 36.38 33.25 2br8 s VAL 29 CO 0.01 0.47 -0.02 -0.89 0.00 0.00 0.00 175.10 174.67 2br8 s THR 30 N 0.45 4.10 -0.03 3.92 2.01 0.20 -1.25 115.64 125.02 2br8 s THR 30 Ca 0.00 -0.29 0.06 0.00 0.31 0.00 0.00 61.69 61.77 2br8 s THR 30 Cb -0.13 -2.79 -0.01 0.00 0.01 0.00 0.00 72.50 69.57 2br8 s THR 30 CO 0.02 0.50 -0.22 -0.22 -0.69 0.00 0.00 174.62 174.01 2br8 s LEU 31 N 0.18 2.02 -0.15 4.42 2.96 0.25 -1.61 118.68 126.74 2br8 s LEU 31 Ca -0.00 -0.42 -0.12 0.00 -0.22 0.00 0.00 54.13 53.37 2br8 s LEU 31 Cb -0.13 -1.16 0.04 0.00 0.50 0.00 0.00 46.19 45.44 2br8 s LEU 31 CO 0.02 0.24 0.39 -0.83 -1.32 0.00 0.00 176.35 174.85 2br8 s GLY 32 N -0.30 -0.30 -0.04 7.98 0.00 -0.42 -4.42 107.32 109.83 2br8 s GLY 32 Ca 0.03 1.21 0.02 0.00 0.00 0.00 0.00 44.72 45.98 2br8 s GLY 32 CO 0.01 1.16 -0.08 -1.36 0.00 0.00 0.00 173.10 172.83 2br8 s PHE 33 N 0.58 2.88 -0.25 1.90 0.08 -1.26 -0.15 117.98 121.76 2br8 s PHE 33 Ca -0.03 -0.03 -0.03 0.00 0.12 0.00 0.00 56.93 56.97 2br8 s PHE 33 Cb -0.05 -1.66 0.02 0.00 -0.57 0.00 0.00 43.02 40.76 2br8 s PHE 33 CO -0.03 0.33 -0.04 0.99 -0.10 0.00 0.00 175.22 176.37 2br8 s THR 34 N -0.87 3.11 -0.24 0.64 2.01 0.12 -1.88 115.64 118.53 2br8 s THR 34 Ca 0.14 -0.90 -0.17 0.00 0.31 0.00 0.00 61.69 61.08 2br8 s THR 34 Cb -0.11 -2.56 -0.03 0.00 0.01 0.00 0.00 72.50 69.81 2br8 s THR 34 CO 0.04 0.21 0.45 -0.22 -0.69 0.00 0.00 174.62 174.41 2br8 s LEU 35 N 1.37 4.09 -0.16 4.42 2.96 -0.79 0.04 118.68 130.61 2br8 s LEU 35 Ca 0.01 0.50 0.03 0.00 -0.22 0.00 0.00 54.13 54.45 2br8 s LEU 35 Cb -0.16 -2.58 -0.23 0.00 0.50 0.00 0.00 46.19 43.72 2br8 s LEU 35 CO -0.03 -0.19 0.19 0.00 -1.32 0.00 0.00 176.35 175.00 2br8 n GLN 36 N 5.08 0.69 -3.61 1.98 6.02 0.19 -3.45 117.38 124.29 2br8 n GLN 36 Ca -0.06 0.19 -0.07 0.00 -0.01 0.00 0.00 57.00 57.05 2br8 n GLN 36 Cb 0.50 -1.64 -0.05 0.00 1.02 0.00 0.00 30.24 30.08 2br8 n GLN 36 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 2br8 s ASP 37 N -6.48 -0.23 -0.47 1.08 2.15 -0.94 -0.12 116.67 111.64 2br8 s ASP 37 Ca -0.21 0.26 -0.17 0.00 0.43 0.00 0.00 52.55 52.86 2br8 s ASP 37 Cb 0.07 0.20 0.06 0.00 -0.30 0.00 0.00 42.92 42.95 2br8 s ASP 37 CO 0.74 -0.21 0.49 -0.63 -0.17 0.00 0.00 175.17 175.39 2br8 s ILE 38 N -1.02 5.07 -0.13 4.11 1.01 -1.26 -1.05 121.20 127.93 2br8 s ILE 38 Ca 0.03 -0.70 -0.24 0.00 0.00 0.00 0.00 60.65 59.74 2br8 s ILE 38 Cb -0.01 -4.17 -0.26 0.00 0.01 0.00 0.00 42.46 38.03 2br8 s ILE 38 CO -0.03 -0.63 0.63 0.58 0.00 0.00 0.00 174.94 175.49 2br8 h VAL 39 N 5.79 1.41 -3.95 2.92 2.07 -1.27 -3.43 116.25 119.79 2br8 h VAL 39 Ca -0.28 -2.36 -0.33 0.00 0.82 0.00 0.00 66.70 64.55 2br8 h VAL 39 Cb 1.10 2.98 -0.27 0.00 -1.52 0.00 0.00 31.29 33.59 2br8 h VAL 39 CO 0.89 0.58 -0.76 -0.75 0.02 0.00 0.00 177.57 177.56 2br8 s LYS 40 N -2.34 0.53 -0.09 1.57 2.20 -1.23 -4.99 119.74 115.39 2br8 s LYS 40 Ca -0.20 -0.35 0.01 0.00 -0.36 0.00 0.00 55.97 55.07 2br8 s LYS 40 Cb 0.01 -0.47 0.02 0.00 -1.51 0.00 0.00 37.83 35.88 2br8 s LYS 40 CO 0.71 0.12 -0.09 0.08 -0.36 0.00 0.00 175.35 175.82 2br8 s VAL 41 N -0.40 1.00 -0.19 4.02 1.01 -1.26 -0.33 120.40 124.24 2br8 s VAL 41 Ca 0.00 -0.32 0.01 0.00 0.00 0.00 0.00 61.98 61.67 2br8 s VAL 41 Cb -0.04 -0.98 0.03 0.00 0.00 0.00 0.00 36.38 35.39 2br8 s VAL 41 CO -0.00 0.35 -0.16 -0.62 0.00 0.00 0.00 175.10 174.66 2br8 s ASP 42 N 1.32 3.35 0.19 3.32 -1.08 -0.42 -5.00 116.67 118.35 2br8 s ASP 42 Ca -0.03 -0.80 0.22 0.00 -0.52 0.00 0.00 52.55 51.43 2br8 s ASP 42 Cb -0.14 -1.43 -0.01 0.00 -1.46 0.00 0.00 42.92 39.88 2br8 s ASP 42 CO -0.04 -0.06 1.02 -1.54 0.52 0.00 0.00 175.17 175.08 2br8 n SER 43 N 4.61 0.83 0.10 -0.34 3.41 -1.26 -3.13 113.62 117.84 2br8 n SER 43 Ca -0.18 0.32 -0.15 0.00 -0.26 0.00 0.00 58.87 58.60 2br8 n SER 43 Cb 0.48 0.47 -0.11 0.00 -0.26 0.00 0.00 64.21 64.79 2br8 n SER 43 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 2br8 h SER 44 N 0.00 0.45 -1.74 4.04 4.64 -1.97 -3.42 113.55 115.56 2br8 h SER 44 Ca -0.01 -0.45 -0.47 0.00 -0.47 0.00 0.00 61.79 60.40 2br8 h SER 44 Cb 1.02 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 62.95 2br8 h SER 44 CO 0.00 1.32 -0.38 0.42 -0.87 0.00 0.00 176.83 177.33 2br8 s THR 45 N -2.80 3.54 -0.95 2.95 -4.23 -1.26 -5.06 115.64 107.83 2br8 s THR 45 Ca -0.04 -1.19 -0.01 0.00 -1.18 0.00 0.00 61.69 59.27 2br8 s THR 45 Cb 0.07 -3.22 0.30 0.00 1.34 0.00 0.00 72.50 71.00 2br8 s THR 45 CO 0.88 -0.12 1.32 0.59 -0.54 0.00 0.00 174.62 176.75 2br8 n ASN 46 N -1.55 5.81 -4.28 3.99 5.03 -1.26 -4.66 115.26 118.34 2br8 n ASN 46 Ca 0.01 -3.46 -0.27 0.00 0.87 0.00 0.00 54.58 51.72 2br8 n ASN 46 Cb 0.59 -1.09 -0.14 0.00 -1.02 0.00 0.00 39.78 38.12 2br8 n ASN 46 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 2br8 s GLU 47 N -2.90 1.54 0.02 3.52 2.02 -1.18 0.21 118.70 121.92 2br8 s GLU 47 Ca 0.35 -0.98 0.03 0.00 0.02 0.00 0.00 54.97 54.38 2br8 s GLU 47 Cb 0.10 -1.66 -0.01 0.00 0.10 0.00 0.00 34.13 32.65 2br8 s GLU 47 CO 0.05 0.43 -0.09 0.08 0.02 0.00 0.00 175.26 175.75 2br8 s VAL 48 N -0.78 0.69 -0.14 2.63 1.01 -0.73 -1.30 120.40 121.78 2br8 s VAL 48 Ca 0.09 -0.65 -0.01 0.00 0.00 0.00 0.00 61.98 61.41 2br8 s VAL 48 Cb -0.09 -0.63 -0.02 0.00 0.00 0.00 0.00 36.38 35.64 2br8 s VAL 48 CO 0.02 0.00 -0.11 -1.81 0.00 0.00 0.00 175.10 173.20 2br8 s ASP 49 N -0.72 4.17 -0.04 3.32 1.11 0.55 -1.78 116.67 123.28 2br8 s ASP 49 Ca -0.00 -0.30 0.04 0.00 0.18 0.00 0.00 52.55 52.46 2br8 s ASP 49 Cb -0.06 -1.65 -0.03 0.00 1.07 0.00 0.00 42.92 42.26 2br8 s ASP 49 CO 0.00 0.15 -0.14 -0.76 1.18 0.00 0.00 175.17 175.60 2br8 s LEU 50 N 0.45 2.74 -0.17 1.23 1.43 -0.56 -0.70 118.68 123.10 2br8 s LEU 50 Ca -0.08 -0.20 -0.03 0.00 -1.03 0.00 0.00 54.13 52.78 2br8 s LEU 50 Cb -0.15 -1.56 -0.02 0.00 0.03 0.00 0.00 46.19 44.49 2br8 s LEU 50 CO 0.04 0.34 -0.06 -0.69 0.23 0.00 0.00 176.35 176.21 2br8 s VAL 51 N -0.75 3.51 0.19 -1.59 1.01 -0.22 -1.17 120.40 121.38 2br8 s VAL 51 Ca 0.12 -0.48 -0.12 0.00 0.00 0.00 0.00 61.98 61.50 2br8 s VAL 51 Cb -0.11 -2.54 0.00 0.00 0.00 0.00 0.00 36.38 33.73 2br8 s VAL 51 CO 0.01 0.47 0.40 -0.72 0.00 0.00 0.00 175.10 175.26 2br8 s TYR 52 N 0.76 0.23 -0.12 5.22 -0.85 -0.65 -0.63 117.35 121.31 2br8 s TYR 52 Ca -0.02 -0.59 -0.05 0.00 -0.52 0.00 0.00 57.07 55.88 2br8 s TYR 52 Cb -0.15 0.13 -0.04 0.00 0.38 0.00 0.00 41.96 42.29 2br8 s TYR 52 CO 0.02 -0.84 0.08 0.71 -1.52 0.00 0.00 175.55 174.01 2br8 s TYR 53 N -3.95 3.40 -0.31 -3.49 2.02 0.11 -0.64 117.35 114.48 2br8 s TYR 53 Ca 0.16 0.35 0.01 0.00 -0.37 0.00 0.00 57.07 57.22 2br8 s TYR 53 Cb 0.01 -1.92 0.07 0.00 -0.40 0.00 0.00 41.96 39.73 2br8 s TYR 53 CO 0.01 0.56 0.00 -2.00 -1.57 0.00 0.00 175.55 172.55 2br8 s GLU 54 N -0.75 2.13 -0.10 -0.62 2.12 -0.92 -0.71 118.70 119.85 2br8 s GLU 54 Ca 0.13 -1.48 -0.22 0.00 0.36 0.00 0.00 54.97 53.75 2br8 s GLU 54 Cb -0.12 -3.14 -0.04 0.00 0.26 0.00 0.00 34.13 31.09 2br8 s GLU 54 CO 0.03 -0.72 0.64 -1.14 -0.54 0.00 0.00 175.26 173.52 2br8 s GLN 55 N 1.12 4.37 -0.03 4.30 0.74 0.79 -3.80 119.66 127.15 2br8 s GLN 55 Ca -0.02 0.74 0.03 0.00 0.05 0.00 0.00 55.36 56.17 2br8 s GLN 55 Cb -0.20 -3.47 -0.00 0.00 1.10 0.00 0.00 33.01 30.44 2br8 s GLN 55 CO -0.04 0.02 -0.13 -0.65 -0.55 0.00 0.00 175.29 173.94 2br8 s GLN 56 N 0.99 1.37 0.02 1.67 -0.21 -0.13 -1.30 119.66 122.07 2br8 s GLN 56 Ca 0.33 -0.46 -0.07 0.00 0.02 0.00 0.00 55.36 55.18 2br8 s GLN 56 Cb -0.17 -1.23 -0.00 0.00 1.00 0.00 0.00 33.01 32.61 2br8 s GLN 56 CO 0.15 0.19 0.14 -0.98 -2.12 0.00 0.00 175.29 172.66 2br8 s ARG 57 N 0.10 0.54 0.15 2.91 1.70 -0.64 -1.91 118.95 121.81 2br8 s ARG 57 Ca -0.03 -0.52 -0.07 0.00 -0.47 0.00 0.00 55.73 54.63 2br8 s ARG 57 Cb -0.10 0.22 0.03 0.00 -0.57 0.00 0.00 34.95 34.53 2br8 s ARG 57 CO 0.01 -0.14 0.38 -2.67 -1.08 0.00 0.00 175.30 171.80 2br8 n TRP 58 N 1.16 -1.45 -3.68 5.89 2.14 -0.88 -0.63 117.44 119.98 2br8 n TRP 58 Ca -0.21 -0.77 -0.11 0.00 2.07 0.00 0.00 57.50 58.48 2br8 n TRP 58 Cb 0.57 0.38 -0.12 0.00 -0.81 0.00 0.00 31.31 31.33 2br8 n TRP 58 CO 0.00 0.00 0.00 0.21 2.07 0.00 0.00 177.69 179.97 2br8 s LYS 59 N -2.04 0.27 -0.16 -2.67 2.20 -1.26 -0.76 119.74 115.32 2br8 s LYS 59 Ca 0.08 0.79 0.01 0.00 -0.36 0.00 0.00 55.97 56.49 2br8 s LYS 59 Cb -0.02 0.05 0.00 0.00 -1.51 0.00 0.00 37.83 36.35 2br8 s LYS 59 CO 0.05 -0.22 -0.17 -0.51 -0.36 0.00 0.00 175.35 174.14 2br8 s LEU 60 N 1.98 2.36 0.36 5.43 1.43 0.35 -4.92 118.68 125.67 2br8 s LEU 60 Ca -0.04 -0.52 0.14 0.00 -1.03 0.00 0.00 54.13 52.67 2br8 s LEU 60 Cb -0.11 -1.53 0.99 0.00 0.03 0.00 0.00 46.19 45.57 2br8 s LEU 60 CO -0.11 0.07 1.77 0.78 0.23 0.00 0.00 176.35 179.09 2br8 h ASN 61 N 7.43 0.56 0.48 2.29 2.35 -1.87 -1.46 115.58 125.37 2br8 h ASN 61 Ca -0.35 0.10 0.00 0.00 -0.55 0.00 0.00 56.30 55.50 2br8 h ASN 61 Cb 1.18 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.56 2br8 h ASN 61 CO 0.58 0.13 0.00 -1.54 -1.65 0.00 0.00 177.43 174.94 2br8 n SER 62 N -4.71 0.00 -1.23 5.81 3.41 -1.26 -2.41 113.62 113.23 2br8 n SER 62 Ca 0.25 0.39 0.00 0.00 -0.26 0.00 0.00 58.87 59.25 2br8 n SER 62 Cb 0.78 -0.45 0.24 0.00 -0.26 0.00 0.00 64.21 64.53 2br8 n SER 62 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2br8 n LEU 63 N -1.45 4.48 -4.88 1.04 4.77 -0.55 -5.02 117.00 115.40 2br8 n LEU 63 Ca 0.05 -3.34 -0.31 0.00 -0.03 0.00 0.00 56.01 52.38 2br8 n LEU 63 Cb 0.17 -0.62 -0.05 0.00 -2.33 0.00 0.00 43.42 40.59 2br8 n LEU 63 CO 0.14 0.91 0.22 -0.04 -1.33 0.00 0.00 177.39 177.29 2br8 s MET 64 N -3.02 3.74 0.15 3.23 -1.94 -1.01 -3.83 119.30 116.62 2br8 s MET 64 Ca 0.46 0.19 -0.14 0.00 -1.71 0.00 0.00 55.69 54.49 2br8 s MET 64 Cb 0.39 -2.64 0.02 0.00 2.01 0.00 0.00 34.83 34.61 2br8 s MET 64 CO 0.07 0.27 0.39 1.67 -0.01 0.00 0.00 175.02 177.41 2br8 s TRP 65 N -1.93 -0.01 -0.34 -0.03 -2.14 -0.86 -4.98 118.94 108.66 2br8 s TRP 65 Ca 0.46 -0.34 -0.19 0.00 2.66 0.00 0.00 56.10 58.69 2br8 s TRP 65 Cb -0.11 0.20 -0.01 0.00 -3.10 0.00 0.00 33.47 30.45 2br8 s TRP 65 CO 0.25 -0.76 0.55 0.34 -2.66 0.00 0.00 176.95 174.67 2br8 s ASP 66 N -2.87 6.37 0.42 -2.66 -1.08 -1.26 -4.71 116.67 110.87 2br8 s ASP 66 Ca 0.08 0.11 0.20 0.00 -0.52 0.00 0.00 52.55 52.42 2br8 s ASP 66 Cb 0.02 -2.29 1.14 0.00 -1.46 0.00 0.00 42.92 40.32 2br8 s ASP 66 CO -0.06 -0.48 1.80 -0.65 0.52 0.00 0.00 175.17 176.29 2br8 h PRO 67 N 8.39 0.35 -0.82 4.34 0.11 -1.94 -2.16 132.00 140.28 2br8 h PRO 67 Ca -0.28 -0.02 0.03 0.00 0.11 0.00 0.00 66.00 65.84 2br8 h PRO 67 Cb 1.12 -0.08 -0.04 0.00 0.11 0.00 0.00 31.00 32.11 2br8 h PRO 67 CO 0.78 0.23 0.54 -0.91 -0.21 0.00 0.00 178.00 178.44 2br8 h ASN 68 N 0.36 0.89 -0.13 -2.05 -0.26 -1.92 0.84 115.58 113.32 2br8 h ASN 68 Ca 0.56 -0.01 0.00 0.00 -0.56 0.00 0.00 56.30 56.28 2br8 h ASN 68 Cb 1.48 -0.21 0.00 0.00 -1.06 0.00 0.00 38.32 38.52 2br8 h ASN 68 CO -0.24 0.62 0.00 -0.62 -1.06 0.00 0.00 177.43 176.14 2br8 n GLU 69 N -4.44 1.30 -2.75 0.81 4.71 -0.81 -3.78 120.64 115.68 2br8 n GLU 69 Ca 0.10 -0.46 -0.04 0.00 -0.01 0.00 0.00 57.16 56.75 2br8 n GLU 69 Cb 0.08 -1.11 0.06 0.00 -1.01 0.00 0.00 31.44 29.47 2br8 n GLU 69 CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 2br8 n TYR 70 N -0.12 0.55 -3.09 -0.32 4.01 -0.66 -5.01 117.16 112.53 2br8 n TYR 70 Ca 0.04 -2.29 -0.23 0.00 -0.16 0.00 0.00 57.90 55.27 2br8 n TYR 70 Cb 0.11 0.07 0.04 0.00 -0.31 0.00 0.00 39.34 39.25 2br8 n TYR 70 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2br8 n GLY 71 N -0.53 -0.52 2.36 2.72 0.00 -1.19 -2.51 105.19 105.52 2br8 n GLY 71 Ca 0.04 0.14 -0.10 0.00 0.00 0.00 0.00 46.02 46.10 2br8 n GLY 71 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2br8 n ASN 72 N -2.54 -4.42 -4.69 1.61 5.03 0.20 -4.98 115.26 105.46 2br8 n ASN 72 Ca -0.10 0.25 -0.42 0.00 0.87 0.00 0.00 54.58 55.18 2br8 n ASN 72 Cb 0.61 -2.81 -0.03 0.00 -1.02 0.00 0.00 39.78 36.54 2br8 n ASN 72 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 2br8 s ILE 73 N -2.31 4.23 -0.05 2.41 1.01 -1.04 -4.93 121.20 120.52 2br8 s ILE 73 Ca 0.00 1.56 0.18 0.00 0.00 0.00 0.00 60.65 62.40 2br8 s ILE 73 Cb 0.00 -4.01 -0.28 0.00 0.01 0.00 0.00 42.46 38.19 2br8 s ILE 73 CO 0.00 0.01 0.35 0.35 0.00 0.00 0.00 174.94 175.65 2br8 n THR 74 N 4.55 0.20 -3.76 2.92 -2.24 -1.26 -4.30 114.28 110.38 2br8 n THR 74 Ca 0.11 -0.48 -0.04 0.00 -2.27 0.00 0.00 64.05 61.37 2br8 n THR 74 Cb 0.46 -0.03 -0.01 0.00 -2.10 0.00 0.00 70.33 68.65 2br8 n THR 74 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 2br8 s ASP 75 N -4.31 -0.18 0.03 3.42 1.47 -1.26 -0.44 116.67 115.40 2br8 s ASP 75 Ca -0.07 -0.42 -0.27 0.00 1.18 0.00 0.00 52.55 52.96 2br8 s ASP 75 Cb 0.11 0.51 0.08 0.00 -0.34 0.00 0.00 42.92 43.28 2br8 s ASP 75 CO 0.76 -0.94 0.71 0.72 0.68 0.00 0.00 175.17 177.10 2br8 s PHE 76 N -3.34 -0.54 0.13 2.11 -0.12 0.11 -4.97 117.98 111.35 2br8 s PHE 76 Ca 0.12 0.63 -0.19 0.00 -0.05 0.00 0.00 56.93 57.44 2br8 s PHE 76 Cb -0.02 0.49 -0.07 0.00 -0.63 0.00 0.00 43.02 42.79 2br8 s PHE 76 CO 0.03 -0.67 0.61 1.03 -0.05 0.00 0.00 175.22 176.16 2br8 s ARG 77 N -2.49 4.18 0.04 1.99 1.81 -1.26 0.31 118.95 123.53 2br8 s ARG 77 Ca -0.03 0.73 -0.19 0.00 -1.72 0.00 0.00 55.73 54.52 2br8 s ARG 77 Cb -0.01 -3.09 0.04 0.00 -0.45 0.00 0.00 34.95 31.44 2br8 s ARG 77 CO -0.03 0.55 0.44 -0.08 -0.68 0.00 0.00 175.30 175.50 2br8 s THR 78 N -1.28 0.05 0.28 0.02 -1.32 0.28 -4.97 115.64 108.69 2br8 s THR 78 Ca 0.34 -0.39 -0.30 0.00 -1.21 0.00 0.00 61.69 60.13 2br8 s THR 78 Cb -0.18 -0.95 -0.12 0.00 -1.51 0.00 0.00 72.50 69.73 2br8 s THR 78 CO 0.20 -0.22 1.48 -0.24 -2.21 0.00 0.00 174.62 173.63 2br8 n SER 79 N 0.50 3.28 0.29 8.08 2.88 -1.26 -0.24 113.62 127.14 2br8 n SER 79 Ca -0.18 1.16 0.16 0.00 -1.33 0.00 0.00 58.87 58.68 2br8 n SER 79 Cb 0.60 -1.52 0.85 0.00 -0.75 0.00 0.00 64.21 63.40 2br8 n SER 79 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2br8 h ALA 80 N 4.18 1.16 0.00 -1.46 0.00 -1.66 -0.04 119.26 121.45 2br8 h ALA 80 Ca -0.46 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.39 2br8 h ALA 80 Cb 1.25 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.03 2br8 h ALA 80 CO 0.75 0.07 0.00 0.00 0.00 0.00 0.00 179.25 180.07 2br8 n ALA 81 N -2.19 1.81 0.67 0.00 0.00 -1.26 -2.69 120.51 116.85 2br8 n ALA 81 Ca -0.02 -0.06 0.13 0.00 0.00 0.00 0.00 53.44 53.48 2br8 n ALA 81 Cb 0.20 -1.27 0.30 0.00 0.00 0.00 0.00 19.45 18.68 2br8 n ALA 81 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2br8 n ASP 82 N -1.44 0.65 -4.33 0.00 8.00 -0.03 -4.93 116.55 114.47 2br8 n ASP 82 Ca 0.05 0.27 -0.17 0.00 0.71 0.00 0.00 54.79 55.65 2br8 n ASP 82 Cb 0.18 -0.21 -0.10 0.00 -0.02 0.00 0.00 41.12 40.97 2br8 n ASP 82 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 2br8 s ILE 83 N -3.11 0.81 0.13 0.53 -4.36 -1.10 -5.00 121.20 109.11 2br8 s ILE 83 Ca 0.09 -2.01 -0.30 0.00 -0.26 0.00 0.00 60.65 58.17 2br8 s ILE 83 Cb 0.14 -2.51 -0.07 0.00 1.25 0.00 0.00 42.46 41.27 2br8 s ILE 83 CO 0.66 -0.16 1.14 0.86 0.24 0.00 0.00 174.94 177.69 2br8 s TRP 84 N -3.57 3.52 0.04 1.37 -0.00 -1.26 -4.98 118.94 114.05 2br8 s TRP 84 Ca 0.33 1.48 0.05 0.00 -0.00 0.00 0.00 56.10 57.96 2br8 s TRP 84 Cb 0.07 -3.34 -0.02 0.00 -0.00 0.00 0.00 33.47 30.18 2br8 s TRP 84 CO 0.11 -0.90 -0.15 0.95 -0.00 0.00 0.00 176.95 176.96 2br8 s THR 85 N 0.28 1.20 0.71 5.86 -4.23 -1.26 -5.13 115.64 113.07 2br8 s THR 85 Ca 0.53 -1.03 -0.16 0.00 -1.18 0.00 0.00 61.69 59.85 2br8 s THR 85 Cb -0.30 -1.08 0.03 0.00 1.34 0.00 0.00 72.50 72.49 2br8 s THR 85 CO 0.33 0.04 1.26 -2.84 -0.54 0.00 0.00 174.62 172.87 2br8 s PRO 86 N -1.14 2.20 -0.61 3.99 0.02 -1.26 -4.93 135.00 133.28 2br8 s PRO 86 Ca 0.03 1.94 -0.02 0.00 0.02 0.00 0.00 61.00 62.96 2br8 s PRO 86 Cb -0.08 -1.82 0.25 0.00 0.02 0.00 0.00 34.50 32.87 2br8 s PRO 86 CO 0.01 -1.83 2.29 -0.40 -0.33 0.00 0.00 177.00 176.74 2br8 n ASP 87 N -2.45 7.05 -4.68 2.53 5.75 -1.26 -4.98 116.55 118.51 2br8 n ASP 87 Ca 0.15 -3.50 -0.42 0.00 -0.01 0.00 0.00 54.79 51.00 2br8 n ASP 87 Cb 0.49 -1.11 -0.03 0.00 -1.03 0.00 0.00 41.12 39.45 2br8 n ASP 87 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 2br8 s ILE 88 N -3.67 3.89 -0.02 2.12 -1.09 -1.26 -2.28 121.20 118.89 2br8 s ILE 88 Ca 0.54 1.21 0.04 0.00 -2.23 0.00 0.00 60.65 60.21 2br8 s ILE 88 Cb 0.41 -3.78 -0.01 0.00 -1.58 0.00 0.00 42.46 37.50 2br8 s ILE 88 CO -0.22 -0.03 -0.13 -0.89 -1.23 0.00 0.00 174.94 172.44 2br8 s THR 89 N 2.73 1.06 -0.03 2.92 2.01 0.10 -4.87 115.64 119.56 2br8 s THR 89 Ca 0.62 -0.55 -0.30 0.00 0.31 0.00 0.00 61.69 61.77 2br8 s THR 89 Cb -0.29 -0.90 -0.05 0.00 0.01 0.00 0.00 72.50 71.27 2br8 s THR 89 CO 0.24 0.31 1.45 0.00 -0.69 0.00 0.00 174.62 175.92 2br8 s ALA 90 N -0.13 3.61 -1.21 7.40 0.00 -1.26 -1.08 121.76 129.09 2br8 s ALA 90 Ca 0.02 0.85 0.28 0.00 0.00 0.00 0.00 51.96 53.10 2br8 s ALA 90 Cb -0.07 -3.64 1.30 0.00 0.00 0.00 0.00 23.12 20.71 2br8 s ALA 90 CO 0.00 -1.06 1.93 0.66 0.00 0.00 0.00 175.76 177.29 2br8 n TYR 91 N 5.92 0.00 -2.52 0.00 4.01 0.06 -4.08 117.16 120.55 2br8 n TYR 91 Ca 0.14 0.00 0.03 0.00 -0.16 0.00 0.00 57.90 57.91 2br8 n TYR 91 Cb 0.43 -0.39 0.02 0.00 -0.31 0.00 0.00 39.34 39.09 2br8 n TYR 91 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 2br8 n SER 92 N -1.39 0.97 -4.74 7.72 3.41 -1.26 -5.01 113.62 113.32 2br8 n SER 92 Ca 0.10 -2.00 -0.33 0.00 -0.26 0.00 0.00 58.87 56.38 2br8 n SER 92 Cb 0.27 -0.29 0.09 0.00 -0.26 0.00 0.00 64.21 64.02 2br8 n SER 92 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2br8 s SER 93 N -2.16 4.40 0.00 4.04 1.04 -1.26 -1.91 113.70 117.85 2br8 s SER 93 Ca 0.32 2.15 0.02 0.00 0.48 0.00 0.00 55.95 58.92 2br8 s SER 93 Cb 0.37 -2.57 -0.01 0.00 0.10 0.00 0.00 66.02 63.91 2br8 s SER 93 CO -0.15 -2.11 0.25 0.35 0.98 0.00 0.00 173.24 172.56 2br8 n THR 94 N -2.87 0.00 -3.86 2.02 -2.24 0.08 -4.83 114.28 102.58 2br8 n THR 94 Ca 0.12 -0.46 -0.10 0.00 -2.27 0.00 0.00 64.05 61.33 2br8 n THR 94 Cb 0.51 1.02 -0.08 0.00 -2.10 0.00 0.00 70.33 69.68 2br8 n THR 94 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2br8 s ARG 95 N -0.89 0.73 0.24 -0.78 0.52 -1.25 -5.04 118.95 112.49 2br8 s ARG 95 Ca 0.01 -0.75 -0.31 0.00 -0.52 0.00 0.00 55.73 54.17 2br8 s ARG 95 Cb 0.02 0.30 -0.12 0.00 0.52 0.00 0.00 34.95 35.67 2br8 s ARG 95 CO 0.07 -0.22 1.64 -2.30 0.02 0.00 0.00 175.30 174.51 2br8 n PRO 96 N 0.45 2.65 -2.10 3.54 -0.02 -1.26 -4.64 135.00 133.62 2br8 n PRO 96 Ca -0.18 0.95 -0.41 0.00 -2.02 0.00 0.00 63.50 61.84 2br8 n PRO 96 Cb 0.60 -2.75 -0.02 0.00 -0.02 0.00 0.00 33.50 31.31 2br8 n PRO 96 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2br8 s VAL 97 N 0.55 2.84 0.05 -1.45 0.11 -1.26 -4.88 120.40 116.36 2br8 s VAL 97 Ca 0.70 0.74 -0.14 0.00 -2.93 0.00 0.00 61.98 60.35 2br8 s VAL 97 Cb -0.52 -3.47 -0.06 0.00 -1.53 0.00 0.00 36.38 30.80 2br8 s VAL 97 CO 0.41 0.13 0.44 -1.10 -3.33 0.00 0.00 175.10 171.65 2br8 s GLN 98 N -0.69 3.90 -0.25 1.54 -0.21 -0.26 -4.93 119.66 118.76 2br8 s GLN 98 Ca 0.56 0.38 -0.11 0.00 0.02 0.00 0.00 55.36 56.21 2br8 s GLN 98 Cb -0.40 -3.12 -0.05 0.00 1.00 0.00 0.00 33.01 30.45 2br8 s GLN 98 CO 0.44 0.62 0.17 0.08 -2.12 0.00 0.00 175.29 174.48 2br8 s VAL 99 N -1.23 5.32 -0.57 1.09 1.01 -1.26 -0.74 120.40 124.03 2br8 s VAL 99 Ca 0.29 0.17 0.14 0.00 0.00 0.00 0.00 61.98 62.58 2br8 s VAL 99 Cb -0.16 -3.50 0.47 0.00 0.00 0.00 0.00 36.38 33.20 2br8 s VAL 99 CO 0.16 0.31 1.39 0.18 0.00 0.00 0.00 175.10 177.14 2br8 n LEU 100 N 4.55 3.67 -3.87 3.92 4.32 0.04 -4.97 117.00 124.65 2br8 n LEU 100 Ca -0.15 -2.56 -0.08 0.00 -0.02 0.00 0.00 56.01 53.20 2br8 n LEU 100 Cb 0.52 -0.43 -0.02 0.00 -1.62 0.00 0.00 43.42 41.87 2br8 n LEU 100 CO 0.34 0.71 0.44 -0.94 -1.22 0.00 0.00 177.39 176.73 2br8 s SER 101 N -1.43 -0.19 0.50 -1.43 1.04 -1.26 -4.81 113.70 106.13 2br8 s SER 101 Ca 0.36 -0.73 -0.22 0.00 0.48 0.00 0.00 55.95 55.84 2br8 s SER 101 Cb 0.26 0.73 -0.07 0.00 0.10 0.00 0.00 66.02 67.04 2br8 s SER 101 CO 0.13 -1.38 1.15 -2.65 0.98 0.00 0.00 173.24 171.48 2br8 n PRO 102 N -0.46 1.46 -3.73 4.02 -0.02 -1.26 -4.83 135.00 130.17 2br8 n PRO 102 Ca -0.04 0.53 -0.37 0.00 -2.02 0.00 0.00 63.50 61.60 2br8 n PRO 102 Cb 0.59 -2.30 -0.10 0.00 -0.02 0.00 0.00 33.50 31.67 2br8 n PRO 102 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 2br8 s GLN 103 N -2.49 2.28 -0.03 -0.52 -0.21 -1.26 -4.61 119.66 112.82 2br8 s GLN 103 Ca 0.68 -2.09 0.02 0.00 0.02 0.00 0.00 55.36 53.99 2br8 s GLN 103 Cb -0.47 -3.68 0.01 0.00 1.00 0.00 0.00 33.01 29.87 2br8 s GLN 103 CO 0.52 -1.13 -0.06 0.42 -2.12 0.00 0.00 175.29 172.93 2br8 s ILE 104 N 0.71 0.58 0.16 1.08 1.01 -1.26 -1.69 121.20 121.79 2br8 s ILE 104 Ca 0.11 -0.21 0.07 0.00 0.00 0.00 0.00 60.65 60.63 2br8 s ILE 104 Cb -0.22 -0.56 -0.04 0.00 0.01 0.00 0.00 42.46 41.65 2br8 s ILE 104 CO -0.04 0.21 -0.01 0.00 0.00 0.00 0.00 174.94 175.10 2br8 s ALA 105 N 0.52 3.19 -0.20 9.38 0.00 0.66 -4.45 121.76 130.86 2br8 s ALA 105 Ca -0.07 -1.34 -0.11 0.00 0.00 0.00 0.00 51.96 50.44 2br8 s ALA 105 Cb -0.11 -1.00 -0.05 0.00 0.00 0.00 0.00 23.12 21.97 2br8 s ALA 105 CO 0.00 0.51 0.16 0.54 0.00 0.00 0.00 175.76 176.98 2br8 s VAL 106 N -1.66 5.38 -0.10 0.00 0.11 -0.50 -0.56 120.40 123.07 2br8 s VAL 106 Ca 0.27 0.25 0.01 0.00 -2.93 0.00 0.00 61.98 59.58 2br8 s VAL 106 Cb -0.10 -3.50 -0.02 0.00 -1.53 0.00 0.00 36.38 31.23 2br8 s VAL 106 CO 0.18 0.41 -0.15 -0.69 -3.33 0.00 0.00 175.10 171.52 2br8 s VAL 107 N 0.55 2.95 0.14 2.04 1.01 0.15 -1.80 120.40 125.43 2br8 s VAL 107 Ca 0.09 -0.72 0.08 0.00 0.00 0.00 0.00 61.98 61.43 2br8 s VAL 107 Cb -0.12 -2.20 -0.04 0.00 0.00 0.00 0.00 36.38 34.02 2br8 s VAL 107 CO 0.00 0.55 -0.08 -0.89 0.00 0.00 0.00 175.10 174.68 2br8 s THR 108 N 0.02 3.37 0.60 3.92 2.01 -0.08 0.05 115.64 125.54 2br8 s THR 108 Ca -0.05 -1.42 0.31 0.00 0.31 0.00 0.00 61.69 60.84 2br8 s THR 108 Cb -0.14 -2.63 0.36 0.00 0.01 0.00 0.00 72.50 70.10 2br8 s THR 108 CO 0.04 0.00 2.15 1.12 -0.69 0.00 0.00 174.62 177.24 2br8 h HIS 109 N 3.24 0.00 0.00 4.92 2.07 -1.03 0.13 115.15 124.47 2br8 h HIS 109 Ca -0.48 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.04 2br8 h HIS 109 Cb 1.18 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.16 2br8 h HIS 109 CO 0.62 0.00 0.00 -0.40 -3.07 0.00 0.00 177.93 175.08 2br8 n ASP 110 N -3.68 0.00 0.00 3.10 5.68 -1.26 -2.02 116.55 118.36 2br8 n ASP 110 Ca 0.00 -0.99 0.00 0.00 -0.50 0.00 0.00 54.79 53.30 2br8 n ASP 110 Cb 0.26 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.24 2br8 n ASP 110 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2br8 n GLY 111 N 0.94 0.77 3.85 6.12 0.00 0.43 -4.76 105.19 112.54 2br8 n GLY 111 Ca 0.23 -0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.91 2br8 n GLY 111 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2br8 s SER 112 N -2.00 6.78 -0.00 1.61 1.04 -1.21 0.13 113.70 120.04 2br8 s SER 112 Ca 0.00 1.09 0.04 0.00 0.48 0.00 0.00 55.95 57.56 2br8 s SER 112 Cb 0.00 -2.30 -0.01 0.00 0.10 0.00 0.00 66.02 63.81 2br8 s SER 112 CO 0.00 -0.01 -0.13 -0.69 0.98 0.00 0.00 173.24 173.39 2br8 s VAL 113 N -1.67 1.01 0.04 5.02 1.01 0.06 -0.90 120.40 124.98 2br8 s VAL 113 Ca 0.44 -0.61 -0.01 0.00 0.00 0.00 0.00 61.98 61.80 2br8 s VAL 113 Cb -0.13 -0.86 -0.03 0.00 0.00 0.00 0.00 36.38 35.36 2br8 s VAL 113 CO 0.20 0.24 -0.03 -0.32 0.00 0.00 0.00 175.10 175.19 2br8 s MET 114 N -0.42 0.53 -0.30 2.72 0.00 -0.75 -2.08 119.30 119.01 2br8 s MET 114 Ca 0.04 -1.05 -0.11 0.00 0.00 0.00 0.00 55.69 54.57 2br8 s MET 114 Cb -0.05 0.19 0.16 0.00 0.00 0.00 0.00 34.83 35.12 2br8 s MET 114 CO -0.00 -0.10 0.85 0.12 0.00 0.00 0.00 175.02 175.89 2br8 s PHE 115 N -3.26 -0.98 -0.48 4.11 5.36 -0.80 -1.41 117.98 120.51 2br8 s PHE 115 Ca 0.01 1.47 0.05 0.00 -0.96 0.00 0.00 56.93 57.50 2br8 s PHE 115 Cb 0.03 0.50 0.19 0.00 -0.34 0.00 0.00 43.02 43.41 2br8 s PHE 115 CO -0.08 -0.50 0.43 -0.89 -1.46 0.00 0.00 175.22 172.72 2br8 n ILE 116 N 5.24 -0.31 -2.49 3.12 5.41 -1.26 -0.95 119.36 128.12 2br8 n ILE 116 Ca -0.08 -3.94 -0.33 0.00 1.00 0.00 0.00 62.75 59.39 2br8 n ILE 116 Cb 0.52 -1.85 -0.04 0.00 -0.71 0.00 0.00 39.64 37.56 2br8 n ILE 116 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 2br8 s PRO 117 N -0.65 3.87 0.21 0.38 0.04 -1.25 -4.79 135.00 132.81 2br8 s PRO 117 Ca 0.32 1.17 -0.17 0.00 0.04 0.00 0.00 61.00 62.36 2br8 s PRO 117 Cb 0.06 -2.12 -0.08 0.00 0.04 0.00 0.00 34.50 32.40 2br8 s PRO 117 CO -0.16 -0.35 0.67 0.00 0.04 0.00 0.00 177.00 177.20 2br8 s ALA 118 N -2.28 3.45 -0.04 8.56 0.00 -1.26 -2.17 121.76 128.03 2br8 s ALA 118 Ca 0.63 0.06 -0.11 0.00 0.00 0.00 0.00 51.96 52.54 2br8 s ALA 118 Cb -0.13 -2.72 0.02 0.00 0.00 0.00 0.00 23.12 20.29 2br8 s ALA 118 CO 0.24 0.37 0.25 -0.65 0.00 0.00 0.00 175.76 175.96 2br8 s GLN 119 N -2.11 0.50 -0.16 0.00 -0.21 0.18 -0.78 119.66 117.09 2br8 s GLN 119 Ca 0.43 -0.08 -0.02 0.00 0.02 0.00 0.00 55.36 55.71 2br8 s GLN 119 Cb -0.15 0.22 -0.02 0.00 1.00 0.00 0.00 33.01 34.07 2br8 s GLN 119 CO 0.20 -0.12 -0.08 0.50 -2.12 0.00 0.00 175.29 173.67 2br8 s ARG 120 N -0.89 3.45 -0.10 2.91 3.52 0.08 -1.64 118.95 126.29 2br8 s ARG 120 Ca -0.10 -0.63 0.02 0.00 -0.13 0.00 0.00 55.73 54.90 2br8 s ARG 120 Cb -0.05 -2.81 0.01 0.00 -1.56 0.00 0.00 34.95 30.55 2br8 s ARG 120 CO 0.02 0.10 -0.17 -1.17 -0.81 0.00 0.00 175.30 173.28 2br8 s LEU 121 N 0.67 1.80 -0.17 -0.88 2.96 -0.32 -1.10 118.68 121.65 2br8 s LEU 121 Ca -0.04 -0.44 -0.15 0.00 -0.22 0.00 0.00 54.13 53.27 2br8 s LEU 121 Cb -0.15 -1.13 -0.04 0.00 0.50 0.00 0.00 46.19 45.37 2br8 s LEU 121 CO 0.02 0.05 0.36 -0.44 -1.32 0.00 0.00 176.35 175.02 2br8 s SER 122 N 0.80 6.47 0.15 3.68 0.01 -1.26 -1.50 113.70 122.06 2br8 s SER 122 Ca -0.10 0.55 -0.06 0.00 1.31 0.00 0.00 55.95 57.65 2br8 s SER 122 Cb -0.16 -2.22 -0.02 0.00 0.21 0.00 0.00 66.02 63.83 2br8 s SER 122 CO 0.01 0.01 0.19 0.72 0.41 0.00 0.00 173.24 174.59 2br8 s PHE 123 N 0.85 0.59 -0.30 2.43 -0.12 -0.74 -0.74 117.98 119.95 2br8 s PHE 123 Ca 0.19 -0.96 -0.29 0.00 -0.05 0.00 0.00 56.93 55.82 2br8 s PHE 123 Cb -0.14 -0.23 -0.02 0.00 -0.63 0.00 0.00 43.02 42.00 2br8 s PHE 123 CO 0.07 -0.64 1.72 -1.64 -0.05 0.00 0.00 175.22 174.68 2br8 s MET 124 N -4.00 3.49 -0.15 1.99 -1.94 -0.81 -1.77 119.30 116.11 2br8 s MET 124 Ca 0.20 1.47 -0.07 0.00 -1.71 0.00 0.00 55.69 55.58 2br8 s MET 124 Cb 0.05 -4.14 0.06 0.00 2.01 0.00 0.00 34.83 32.81 2br8 s MET 124 CO 0.01 -1.67 0.34 0.00 -0.01 0.00 0.00 175.02 173.69 2br8 s ASP 126 N 1.69 6.46 0.00 0.00 -1.08 -1.26 -3.37 116.67 119.11 2br8 s ASP 126 Ca -0.07 0.01 0.17 0.00 -0.52 0.00 0.00 52.55 52.14 2br8 s ASP 126 Cb -0.10 -2.46 0.53 0.00 -1.46 0.00 0.00 42.92 39.44 2br8 s ASP 126 CO -0.11 -1.13 1.41 -0.81 0.52 0.00 0.00 175.17 175.06 2br8 n PRO 127 N 7.34 1.86 -1.64 4.34 -0.04 -1.26 -4.84 135.00 140.75 2br8 n PRO 127 Ca 0.05 -1.31 -0.51 0.00 -0.04 0.00 0.00 63.50 61.69 2br8 n PRO 127 Cb 0.48 -1.36 -0.06 0.00 -0.04 0.00 0.00 33.50 32.53 2br8 n PRO 127 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 2br8 n THR 128 N 0.54 0.12 -0.13 0.52 -1.04 -1.26 -1.70 114.28 111.33 2br8 n THR 128 Ca 0.15 -0.02 0.00 0.00 -2.04 0.00 0.00 64.05 62.14 2br8 n THR 128 Cb 0.34 -1.19 0.00 0.00 -1.82 0.00 0.00 70.33 67.66 2br8 n THR 128 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2br8 n GLY 129 N 3.27 0.93 0.22 3.41 0.00 -1.26 -4.79 105.19 106.97 2br8 n GLY 129 Ca 0.20 -0.01 -0.09 0.00 0.00 0.00 0.00 46.02 46.13 2br8 n GLY 129 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2br8 h VAL 130 N 0.00 1.31 0.00 1.61 3.04 -1.57 -2.78 116.25 117.86 2br8 h VAL 130 Ca 0.00 -1.71 -0.01 0.00 -1.01 0.00 0.00 66.70 63.97 2br8 h VAL 130 Cb 0.00 1.68 -0.00 0.00 -2.01 0.00 0.00 31.29 30.96 2br8 h VAL 130 CO 0.00 0.54 -0.06 -2.24 -1.01 0.00 0.00 177.57 174.80 2br8 h ASP 131 N 0.45 0.00 -4.23 3.17 -0.00 -1.93 0.18 116.42 114.06 2br8 h ASP 131 Ca 0.02 0.00 -0.48 0.00 -0.00 0.00 0.00 57.03 56.57 2br8 h ASP 131 Cb 1.02 0.00 0.12 0.00 -0.00 0.00 0.00 39.33 40.48 2br8 h ASP 131 CO 0.09 0.06 0.31 -0.94 -0.00 0.00 0.00 179.24 178.76 2br8 s SER 132 N -5.89 4.00 0.14 4.15 1.04 -1.05 -4.77 113.70 111.33 2br8 s SER 132 Ca 0.02 1.23 -0.08 0.00 0.48 0.00 0.00 55.95 57.60 2br8 s SER 132 Cb 0.09 -1.91 -0.05 0.00 0.10 0.00 0.00 66.02 64.25 2br8 s SER 132 CO 0.59 -2.27 1.38 -0.08 0.98 0.00 0.00 173.24 173.84 2br8 h GLU 133 N -1.30 0.67 0.00 4.02 4.81 -1.88 -3.02 114.58 117.88 2br8 h GLU 133 Ca -0.49 -0.51 0.00 0.00 -0.13 0.00 0.00 59.36 58.24 2br8 h GLU 133 Cb 1.29 0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.76 2br8 h GLU 133 CO 0.59 1.13 0.00 0.93 -0.73 0.00 0.00 179.01 180.93 2br8 h GLU 134 N 0.47 0.00 0.00 1.92 4.39 -1.94 -3.49 114.58 115.93 2br8 h GLU 134 Ca -0.03 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.67 2br8 h GLU 134 Cb 1.30 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.95 2br8 h GLU 134 CO 0.14 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 178.40 2br8 n GLY 135 N 0.33 -0.66 3.09 -3.84 0.00 -1.14 -4.91 105.19 98.05 2br8 n GLY 135 Ca 0.02 -1.14 -0.08 0.00 0.00 0.00 0.00 46.02 44.82 2br8 n GLY 135 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2br8 s VAL 136 N 0.00 0.18 -0.11 1.61 0.11 0.61 -4.55 120.40 118.24 2br8 s VAL 136 Ca 0.00 -1.45 0.02 0.00 -2.93 0.00 0.00 61.98 57.63 2br8 s VAL 136 Cb 0.00 -1.16 0.01 0.00 -1.53 0.00 0.00 36.38 33.70 2br8 s VAL 136 CO 0.00 -0.80 -0.18 -0.89 -3.33 0.00 0.00 175.10 169.90 2br8 s THR 137 N -3.23 1.73 0.18 5.04 2.01 -1.26 -0.65 115.64 119.45 2br8 s THR 137 Ca 0.00 -0.79 0.09 0.00 0.31 0.00 0.00 61.69 61.30 2br8 s THR 137 Cb 0.03 -1.55 -0.04 0.00 0.01 0.00 0.00 72.50 70.95 2br8 s THR 137 CO -0.07 0.49 -0.08 0.00 -0.69 0.00 0.00 174.62 174.26 2br8 s ALA 139 N -1.69 -0.17 -0.09 0.00 0.00 -1.26 -1.16 121.76 117.39 2br8 s ALA 139 Ca 0.25 -0.17 -0.04 0.00 0.00 0.00 0.00 51.96 52.00 2br8 s ALA 139 Cb -0.09 0.05 0.04 0.00 0.00 0.00 0.00 23.12 23.13 2br8 s ALA 139 CO 0.16 -0.15 0.21 0.54 0.00 0.00 0.00 175.76 176.52 2br8 s VAL 140 N -1.04 -0.04 0.21 0.00 0.11 0.32 -4.93 120.40 115.02 2br8 s VAL 140 Ca -0.11 0.16 -0.21 0.00 -2.93 0.00 0.00 61.98 58.89 2br8 s VAL 140 Cb -0.07 -0.34 -0.08 0.00 -1.53 0.00 0.00 36.38 34.37 2br8 s VAL 140 CO 0.00 0.07 0.74 -0.54 -3.33 0.00 0.00 175.10 172.03 2br8 s LYS 141 N 1.24 4.33 -0.01 1.54 1.02 -1.26 -0.53 119.74 126.06 2br8 s LYS 141 Ca -0.09 0.94 0.07 0.00 0.02 0.00 0.00 55.97 56.91 2br8 s LYS 141 Cb -0.11 -2.97 -0.02 0.00 -0.52 0.00 0.00 37.83 34.21 2br8 s LYS 141 CO -0.08 0.44 -0.24 -0.06 -0.92 0.00 0.00 175.35 174.50 2br8 s PHE 142 N -1.43 2.41 -0.01 3.18 0.08 -0.27 -0.76 117.98 121.17 2br8 s PHE 142 Ca 0.41 -0.38 -0.30 0.00 0.12 0.00 0.00 56.93 56.78 2br8 s PHE 142 Cb -0.18 -1.51 0.11 0.00 -0.57 0.00 0.00 43.02 40.87 2br8 s PHE 142 CO 0.22 0.03 1.13 0.20 -0.10 0.00 0.00 175.22 176.70 2br8 s GLY 143 N -0.75 -0.35 0.36 4.36 0.00 -0.24 -0.98 107.32 109.73 2br8 s GLY 143 Ca 0.11 0.81 -0.28 0.00 0.00 0.00 0.00 44.72 45.35 2br8 s GLY 143 CO -0.00 0.22 1.51 -1.26 0.00 0.00 0.00 173.10 173.57 2br8 n SER 144 N -0.36 3.82 0.13 1.64 2.88 -1.26 0.01 113.62 120.49 2br8 n SER 144 Ca -0.06 1.21 0.02 0.00 -1.33 0.00 0.00 58.87 58.71 2br8 n SER 144 Cb 0.61 -1.62 0.01 0.00 -0.75 0.00 0.00 64.21 62.47 2br8 n SER 144 CO 0.00 0.00 0.00 -0.25 -1.23 0.00 0.00 175.04 173.56 2br8 h TRP 145 N 3.37 0.00 0.00 0.66 2.91 -1.82 -3.41 115.95 117.66 2br8 h TRP 145 Ca -0.50 0.00 0.00 0.00 1.13 0.00 0.00 58.89 59.52 2br8 h TRP 145 Cb 1.24 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.89 2br8 h TRP 145 CO 0.54 0.54 -0.10 1.33 -1.03 0.00 0.00 178.44 179.72 2br8 n VAL 146 N -3.23 0.00 -4.25 2.65 0.24 -1.26 -5.07 118.33 107.41 2br8 n VAL 146 Ca 0.02 -0.27 -0.35 0.00 -2.04 0.00 0.00 64.34 61.70 2br8 n VAL 146 Cb 0.75 0.89 -0.10 0.00 -1.47 0.00 0.00 33.84 33.92 2br8 n VAL 146 CO 0.00 0.00 0.00 -0.31 -2.14 0.00 0.00 176.83 174.38 2br8 s TYR 147 N -0.74 3.20 0.85 6.34 2.02 -1.26 -5.11 117.35 122.64 2br8 s TYR 147 Ca 0.00 0.11 -0.12 0.00 -0.37 0.00 0.00 57.07 56.69 2br8 s TYR 147 Cb 0.00 -1.90 0.10 0.00 -0.40 0.00 0.00 41.96 39.76 2br8 s TYR 147 CO 0.00 0.33 1.15 -1.54 -1.57 0.00 0.00 175.55 173.92 2br8 s SER 148 N -0.38 4.08 0.56 2.29 1.04 -1.26 -4.74 113.70 115.29 2br8 s SER 148 Ca 0.08 0.91 0.31 0.00 0.48 0.00 0.00 55.95 57.73 2br8 s SER 148 Cb -0.12 -1.47 1.68 0.00 0.10 0.00 0.00 66.02 66.21 2br8 s SER 148 CO 0.02 -2.19 2.16 1.23 0.98 0.00 0.00 173.24 175.44 2br8 h GLY 149 N -1.25 0.00 1.89 7.32 0.00 -0.44 0.54 103.07 111.12 2br8 h GLY 149 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.85 2br8 h GLY 149 CO 0.64 0.00 0.00 0.69 0.00 0.00 0.00 176.54 177.87 2br8 n PHE 150 N -3.58 0.00 -0.05 5.60 3.72 -1.26 -3.76 117.46 118.13 2br8 n PHE 150 Ca -0.02 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.27 2br8 n PHE 150 Cb 0.18 -0.44 -0.04 0.00 -0.94 0.00 0.00 39.48 38.24 2br8 n PHE 150 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 2br8 n GLU 151 N -1.44 0.22 -4.06 -1.08 1.02 0.04 -4.52 120.64 110.81 2br8 n GLU 151 Ca 0.07 0.09 -0.32 0.00 -0.02 0.00 0.00 57.16 56.98 2br8 n GLU 151 Cb 0.24 -0.88 -0.15 0.00 -0.02 0.00 0.00 31.44 30.63 2br8 n GLU 151 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2br8 s ILE 152 N -2.18 2.14 0.16 -3.67 1.01 -0.39 -1.34 121.20 116.93 2br8 s ILE 152 Ca -0.14 -1.63 -0.30 0.00 0.00 0.00 0.00 60.65 58.58 2br8 s ILE 152 Cb 0.05 -2.27 -0.07 0.00 0.01 0.00 0.00 42.46 40.18 2br8 s ILE 152 CO 0.18 -0.04 1.09 -0.62 0.00 0.00 0.00 174.94 175.54 2br8 s ASP 153 N 1.11 7.29 -0.11 3.58 2.15 0.33 -4.24 116.67 126.77 2br8 s ASP 153 Ca -0.09 2.05 0.03 0.00 0.43 0.00 0.00 52.55 54.98 2br8 s ASP 153 Cb -0.20 -2.60 0.00 0.00 -0.30 0.00 0.00 42.92 39.82 2br8 s ASP 153 CO -0.05 -0.21 -0.23 -0.22 -0.17 0.00 0.00 175.17 174.29 2br8 s LEU 154 N -0.26 2.11 0.06 -1.34 2.96 -1.26 -0.39 118.68 120.56 2br8 s LEU 154 Ca 0.49 -0.57 -0.02 0.00 -0.22 0.00 0.00 54.13 53.81 2br8 s LEU 154 Cb -0.29 -1.43 -0.03 0.00 0.50 0.00 0.00 46.19 44.94 2br8 s LEU 154 CO 0.34 0.13 0.01 -0.75 -1.32 0.00 0.00 176.35 174.76 2br8 s LYS 155 N 0.50 0.66 0.11 1.98 2.20 -0.38 -4.92 119.74 119.89 2br8 s LYS 155 Ca -0.15 -1.18 0.06 0.00 -0.36 0.00 0.00 55.97 54.34 2br8 s LYS 155 Cb -0.17 0.23 -0.04 0.00 -1.51 0.00 0.00 37.83 36.35 2br8 s LYS 155 CO 0.05 -0.14 -0.16 0.95 -0.36 0.00 0.00 175.35 175.69 2br8 s THR 156 N -3.91 1.41 0.11 3.43 -4.23 -1.26 -0.58 115.64 110.61 2br8 s THR 156 Ca 0.07 -1.64 -0.01 0.00 -1.18 0.00 0.00 61.69 58.94 2br8 s THR 156 Cb 0.07 -1.49 -0.23 0.00 1.34 0.00 0.00 72.50 72.19 2br8 s THR 156 CO -0.10 -0.31 1.23 0.44 -0.54 0.00 0.00 174.62 175.35 2br8 h ASP 157 N 3.72 0.32 -5.17 3.99 3.32 -1.96 -3.47 116.42 117.17 2br8 h ASP 157 Ca -0.41 -0.32 -0.10 0.00 0.02 0.00 0.00 57.03 56.22 2br8 h ASP 157 Cb 1.19 -0.10 -0.14 0.00 0.22 0.00 0.00 39.33 40.50 2br8 h ASP 157 CO 0.47 1.21 -0.46 0.28 -1.72 0.00 0.00 179.24 179.02 2br8 s THR 158 N -2.84 0.16 -0.33 0.35 -1.32 -1.26 -5.06 115.64 105.35 2br8 s THR 158 Ca -0.03 -1.33 0.16 0.00 -1.21 0.00 0.00 61.69 59.28 2br8 s THR 158 Cb 0.08 -1.35 0.62 0.00 -1.51 0.00 0.00 72.50 70.34 2br8 s THR 158 CO 0.86 -0.74 1.53 -0.90 -2.21 0.00 0.00 174.62 173.16 2br8 n ASP 159 N 0.04 4.46 -4.57 8.08 5.68 -1.26 -4.85 116.55 124.14 2br8 n ASP 159 Ca -0.15 -2.88 -0.41 0.00 -0.50 0.00 0.00 54.79 50.85 2br8 n ASP 159 Cb 0.62 -0.57 -0.08 0.00 -1.14 0.00 0.00 41.12 39.95 2br8 n ASP 159 CO 0.00 0.00 0.00 -1.10 -1.33 0.00 0.00 177.20 174.77 2br8 s GLN 160 N -2.61 3.74 0.28 0.11 -1.52 -1.26 -1.49 119.66 116.91 2br8 s GLN 160 Ca 0.46 -0.04 -0.30 0.00 -1.95 0.00 0.00 55.36 53.53 2br8 s GLN 160 Cb 0.35 -3.77 -0.11 0.00 -0.22 0.00 0.00 33.01 29.26 2br8 s GLN 160 CO 0.13 -0.57 1.50 0.08 -0.25 0.00 0.00 175.29 176.17 2br8 s VAL 161 N 2.39 2.37 -0.15 1.09 1.01 -0.94 -4.89 120.40 121.28 2br8 s VAL 161 Ca 0.19 0.32 -0.29 0.00 0.00 0.00 0.00 61.98 62.20 2br8 s VAL 161 Cb -0.15 -3.20 -0.03 0.00 0.00 0.00 0.00 36.38 33.00 2br8 s VAL 161 CO 0.12 0.06 1.46 -0.62 0.00 0.00 0.00 175.10 176.12 2br8 s ASP 162 N 0.31 6.73 0.00 3.32 -1.08 -0.79 -4.89 116.67 120.26 2br8 s ASP 162 Ca 0.60 1.81 0.04 0.00 -0.52 0.00 0.00 52.55 54.47 2br8 s ASP 162 Cb -0.45 -2.54 0.06 0.00 -1.46 0.00 0.00 42.92 38.54 2br8 s ASP 162 CO 0.48 -0.94 0.82 0.18 0.52 0.00 0.00 175.17 176.23 2br8 n LEU 163 N 7.21 1.75 0.12 -1.34 4.77 -1.26 -1.88 117.00 126.38 2br8 n LEU 163 Ca 0.16 -1.43 0.09 0.00 -0.03 0.00 0.00 56.01 54.80 2br8 n LEU 163 Cb 0.44 -0.03 0.45 0.00 -2.33 0.00 0.00 43.42 41.95 2br8 n LEU 163 CO 0.60 0.42 0.77 -1.54 -1.33 0.00 0.00 177.39 176.30 2br8 n SER 164 N 0.06 0.45 -0.05 -1.43 3.41 -1.26 -1.41 113.62 113.39 2br8 n SER 164 Ca 0.03 0.69 0.05 0.00 -0.26 0.00 0.00 58.87 59.38 2br8 n SER 164 Cb 0.19 -0.75 0.07 0.00 -0.26 0.00 0.00 64.21 63.45 2br8 n SER 164 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2br8 n SER 165 N -2.08 2.07 -4.72 4.04 7.64 -1.26 -5.03 113.62 114.28 2br8 n SER 165 Ca -0.00 -2.50 -0.42 0.00 1.01 0.00 0.00 58.87 56.95 2br8 n SER 165 Cb 0.06 -0.21 -0.03 0.00 -1.01 0.00 0.00 64.21 63.02 2br8 n SER 165 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 2br8 s TYR 166 N -1.86 3.05 0.04 1.43 5.04 -0.50 -4.64 117.35 119.92 2br8 s TYR 166 Ca 0.15 0.68 -0.34 0.00 -2.44 0.00 0.00 57.07 55.13 2br8 s TYR 166 Cb 0.13 -3.92 -0.13 0.00 0.35 0.00 0.00 41.96 38.40 2br8 s TYR 166 CO 0.01 -3.32 1.72 0.98 -1.34 0.00 0.00 175.55 173.60 2br8 n TYR 167 N 3.72 2.30 0.05 4.97 9.36 0.83 -4.89 117.16 133.50 2br8 n TYR 167 Ca 0.13 0.14 -0.06 0.00 3.32 0.00 0.00 57.90 61.42 2br8 n TYR 167 Cb 0.39 -2.60 0.12 0.00 -0.63 0.00 0.00 39.34 36.62 2br8 n TYR 167 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2br8 h ALA 168 N 7.49 0.86 -0.60 2.98 0.00 -1.90 -2.97 119.26 125.13 2br8 h ALA 168 Ca -0.47 -0.50 -0.11 0.00 0.00 0.00 0.00 54.91 53.83 2br8 h ALA 168 Cb 1.26 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 18.90 2br8 h ALA 168 CO 0.92 0.68 0.14 0.43 0.00 0.00 0.00 179.25 181.42 2br8 n SER 169 N -3.94 4.79 -4.64 0.00 7.64 -1.26 -4.99 113.62 111.22 2br8 n SER 169 Ca -0.02 -2.96 -0.40 0.00 1.01 0.00 0.00 58.87 56.49 2br8 n SER 169 Cb 0.57 -0.70 0.03 0.00 -1.01 0.00 0.00 64.21 63.10 2br8 n SER 169 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2br8 n SER 170 N 0.18 1.43 0.27 6.43 2.88 -1.12 -4.89 113.62 118.79 2br8 n SER 170 Ca 0.31 0.98 0.12 0.00 -1.33 0.00 0.00 58.87 58.94 2br8 n SER 170 Cb 1.20 -1.40 0.74 0.00 -0.75 0.00 0.00 64.21 63.99 2br8 n SER 170 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 2br8 h LYS 171 N 1.32 0.00 -6.76 -1.46 1.79 -1.92 -3.44 116.57 106.10 2br8 h LYS 171 Ca -0.47 0.00 -0.69 0.00 -2.18 0.00 0.00 60.65 57.32 2br8 h LYS 171 Cb 1.34 0.00 -0.22 0.00 -1.58 0.00 0.00 32.23 31.76 2br8 h LYS 171 CO 0.56 0.08 -0.84 0.71 -1.08 0.00 0.00 179.45 178.87 2br8 s TYR 172 N -4.52 2.42 -0.12 -1.35 2.02 -1.26 -0.78 117.35 113.77 2br8 s TYR 172 Ca -0.04 -0.33 -0.00 0.00 -0.37 0.00 0.00 57.07 56.33 2br8 s TYR 172 Cb 0.15 -1.34 -0.02 0.00 -0.40 0.00 0.00 41.96 40.34 2br8 s TYR 172 CO 0.60 0.29 -0.11 -2.00 -1.57 0.00 0.00 175.55 172.76 2br8 s GLU 173 N -1.80 3.25 -0.24 -0.62 2.12 0.38 -4.81 118.70 116.97 2br8 s GLU 173 Ca 0.15 -0.65 -0.25 0.00 0.36 0.00 0.00 54.97 54.58 2br8 s GLU 173 Cb -0.10 -2.63 -0.00 0.00 0.26 0.00 0.00 34.13 31.65 2br8 s GLU 173 CO 0.06 0.31 0.84 0.42 -0.54 0.00 0.00 175.26 176.35 2br8 s ILE 174 N 0.10 4.83 -0.06 -3.70 -1.09 -1.26 -2.06 121.20 117.97 2br8 s ILE 174 Ca -0.05 1.57 -0.11 0.00 -2.23 0.00 0.00 60.65 59.83 2br8 s ILE 174 Cb -0.15 -4.13 -0.30 0.00 -1.58 0.00 0.00 42.46 36.31 2br8 s ILE 174 CO 0.04 -0.08 0.65 -0.07 -1.23 0.00 0.00 174.94 174.24 2br8 h LEU 175 N 9.20 0.60 -7.00 2.97 3.38 -0.90 -3.49 115.31 120.08 2br8 h LEU 175 Ca -0.23 -0.94 -0.02 0.00 0.09 0.00 0.00 57.88 56.78 2br8 h LEU 175 Cb 1.09 -0.20 -0.17 0.00 0.09 0.00 0.00 40.66 41.48 2br8 h LEU 175 CO 0.88 1.79 0.25 -0.94 0.09 0.00 0.00 178.44 180.50 2br8 s SER 176 N -7.28 -0.58 -0.13 -0.43 1.04 -1.08 -4.98 113.70 100.26 2br8 s SER 176 Ca -0.17 0.39 -0.05 0.00 0.48 0.00 0.00 55.95 56.61 2br8 s SER 176 Cb 0.05 0.53 0.06 0.00 0.10 0.00 0.00 66.02 66.77 2br8 s SER 176 CO 0.85 -0.71 0.25 0.00 0.98 0.00 0.00 173.24 174.61 2br8 s ALA 177 N -2.21 -0.51 0.01 5.32 0.00 -1.26 -0.30 121.76 122.81 2br8 s ALA 177 Ca -0.05 0.88 0.03 0.00 0.00 0.00 0.00 51.96 52.82 2br8 s ALA 177 Cb -0.00 -1.01 -0.01 0.00 0.00 0.00 0.00 23.12 22.09 2br8 s ALA 177 CO -0.00 -0.65 -0.10 0.99 0.00 0.00 0.00 175.76 175.99 2br8 s THR 178 N 2.41 0.81 -0.37 0.00 2.01 -0.07 -2.21 115.64 118.22 2br8 s THR 178 Ca 0.02 -0.63 0.00 0.00 0.31 0.00 0.00 61.69 61.39 2br8 s THR 178 Cb -0.12 -0.72 0.13 0.00 0.01 0.00 0.00 72.50 71.80 2br8 s THR 178 CO -0.08 0.09 0.20 0.00 -0.69 0.00 0.00 174.62 174.13 2br8 s GLN 179 N -0.61 0.76 -0.10 4.92 -2.07 -0.56 -0.81 119.66 121.19 2br8 s GLN 179 Ca 0.02 -1.42 0.03 0.00 -1.82 0.00 0.00 55.36 52.16 2br8 s GLN 179 Cb -0.05 -1.70 -0.01 0.00 -1.09 0.00 0.00 33.01 30.16 2br8 s GLN 179 CO 0.00 -1.15 -0.20 -0.08 -1.32 0.00 0.00 175.29 172.55 2br8 s THR 180 N 1.02 2.47 -0.05 3.63 -1.32 -0.66 -4.23 115.64 116.50 2br8 s THR 180 Ca 0.16 -0.88 -0.30 0.00 -1.21 0.00 0.00 61.69 59.46 2br8 s THR 180 Cb -0.22 -1.97 -0.04 0.00 -1.51 0.00 0.00 72.50 68.76 2br8 s THR 180 CO -0.06 0.55 1.26 -0.60 -2.21 0.00 0.00 174.62 173.55 2br8 s ARG 181 N 0.18 4.32 -0.10 7.08 3.52 -1.26 -0.70 118.95 132.00 2br8 s ARG 181 Ca -0.11 1.74 0.04 0.00 -0.13 0.00 0.00 55.73 57.27 2br8 s ARG 181 Cb -0.16 -3.58 -0.00 0.00 -1.56 0.00 0.00 34.95 29.64 2br8 s ARG 181 CO 0.06 -0.50 -0.24 -0.65 -0.81 0.00 0.00 175.30 173.16 2br8 s GLN 182 N 2.39 3.01 -0.17 5.12 -0.21 0.11 -4.98 119.66 124.94 2br8 s GLN 182 Ca 0.58 -0.88 -0.01 0.00 0.02 0.00 0.00 55.36 55.07 2br8 s GLN 182 Cb -0.26 -2.30 -0.01 0.00 1.00 0.00 0.00 33.01 31.44 2br8 s GLN 182 CO 0.22 0.20 -0.11 0.08 -2.12 0.00 0.00 175.29 173.56 2br8 s VAL 183 N 0.29 3.03 0.08 1.09 1.01 -1.26 -1.45 120.40 123.18 2br8 s VAL 183 Ca -0.17 -0.64 0.05 0.00 0.00 0.00 0.00 61.98 61.21 2br8 s VAL 183 Cb -0.17 -2.31 -0.03 0.00 0.00 0.00 0.00 36.38 33.87 2br8 s VAL 183 CO 0.08 0.49 -0.13 0.00 0.00 0.00 0.00 175.10 175.55 2br8 s GLN 184 N 0.84 0.83 0.44 2.72 -2.07 -0.66 -4.99 119.66 116.77 2br8 s GLN 184 Ca -0.03 -1.02 0.06 0.00 -1.82 0.00 0.00 55.36 52.54 2br8 s GLN 184 Cb -0.15 -0.74 -0.06 0.00 -1.09 0.00 0.00 33.01 30.98 2br8 s GLN 184 CO 0.00 0.15 0.03 -1.01 -1.32 0.00 0.00 175.29 173.15 2br8 s HIS 185 N -1.64 2.35 0.01 9.60 3.76 -1.26 -1.70 115.29 126.40 2br8 s HIS 185 Ca 0.00 -0.74 0.02 0.00 -0.15 0.00 0.00 55.06 54.20 2br8 s HIS 185 Cb -0.08 -1.76 -0.01 0.00 1.11 0.00 0.00 32.58 31.84 2br8 s HIS 185 CO 0.02 0.35 -0.07 0.71 -0.85 0.00 0.00 174.74 174.90 2br8 s TYR 186 N -2.74 0.63 0.36 1.40 2.02 -1.24 -5.04 117.35 112.73 2br8 s TYR 186 Ca 0.28 -0.20 0.08 0.00 -0.37 0.00 0.00 57.07 56.86 2br8 s TYR 186 Cb 0.07 -0.39 0.78 0.00 -0.40 0.00 0.00 41.96 42.02 2br8 s TYR 186 CO 0.15 -0.02 1.90 0.77 -1.57 0.00 0.00 175.55 176.77 2br8 h SER 187 N 5.64 0.67 0.24 2.29 0.02 -2.01 -1.25 113.55 119.15 2br8 h SER 187 Ca -0.31 0.03 -0.11 0.00 -0.84 0.00 0.00 61.79 60.56 2br8 h SER 187 Cb 1.19 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 63.61 2br8 h SER 187 CO 0.48 0.37 -0.42 0.00 -1.14 0.00 0.00 176.83 176.13 2br8 n PRO 190 N 5.29 0.04 -2.64 0.00 -0.02 -1.26 -3.63 135.00 132.79 2br8 n PRO 190 Ca -0.05 0.49 -0.41 0.00 -2.02 0.00 0.00 63.50 61.51 2br8 n PRO 190 Cb 0.46 -1.62 -0.04 0.00 -0.02 0.00 0.00 33.50 32.29 2br8 n PRO 190 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 2br8 s GLU 191 N -3.13 4.64 0.54 -0.52 1.03 -1.26 -4.92 118.70 115.08 2br8 s GLU 191 Ca 0.01 1.55 -0.21 0.00 0.03 0.00 0.00 54.97 56.35 2br8 s GLU 191 Cb 0.03 -3.35 -0.05 0.00 -0.80 0.00 0.00 34.13 29.96 2br8 s GLU 191 CO 0.10 0.12 1.24 -1.25 -1.33 0.00 0.00 175.26 174.14 2br8 s PRO 192 N 0.06 3.24 -0.09 -4.83 0.04 -1.26 -4.69 135.00 127.47 2br8 s PRO 192 Ca 0.49 1.93 0.02 0.00 0.04 0.00 0.00 61.00 63.48 2br8 s PRO 192 Cb -0.25 -2.16 0.01 0.00 0.04 0.00 0.00 34.50 32.14 2br8 s PRO 192 CO 0.31 -1.02 -0.13 0.71 0.04 0.00 0.00 177.00 176.91 2br8 s TYR 193 N -1.49 1.69 -0.05 0.56 1.51 -0.69 0.18 117.35 119.06 2br8 s TYR 193 Ca 0.72 -0.71 0.06 0.00 -1.01 0.00 0.00 57.07 56.13 2br8 s TYR 193 Cb -0.33 -1.24 -0.01 0.00 -0.11 0.00 0.00 41.96 40.27 2br8 s TYR 193 CO 0.38 -0.37 -0.24 0.42 -1.11 0.00 0.00 175.55 174.63 2br8 s ILE 194 N 0.85 1.95 0.14 2.71 1.01 -1.26 -1.66 121.20 124.94 2br8 s ILE 194 Ca -0.10 -1.01 0.04 0.00 0.00 0.00 0.00 60.65 59.57 2br8 s ILE 194 Cb -0.15 -1.65 -0.04 0.00 0.01 0.00 0.00 42.46 40.62 2br8 s ILE 194 CO 0.01 0.54 -0.08 1.51 0.00 0.00 0.00 174.94 176.93 2br8 s ASP 195 N -0.15 1.60 -0.24 3.58 -4.77 -0.53 -4.56 116.67 111.59 2br8 s ASP 195 Ca -0.03 -1.03 -0.05 0.00 -3.30 0.00 0.00 52.55 48.13 2br8 s ASP 195 Cb -0.13 0.02 -0.01 0.00 -1.09 0.00 0.00 42.92 41.71 2br8 s ASP 195 CO 0.03 -0.39 0.01 -0.69 0.70 0.00 0.00 175.17 174.84 2br8 s VAL 196 N -3.43 3.74 -0.30 2.11 1.01 -0.15 0.08 120.40 123.47 2br8 s VAL 196 Ca 0.17 -0.46 -0.21 0.00 0.00 0.00 0.00 61.98 61.48 2br8 s VAL 196 Cb 0.04 -2.77 -0.01 0.00 0.00 0.00 0.00 36.38 33.64 2br8 s VAL 196 CO -0.00 0.32 0.65 0.21 0.00 0.00 0.00 175.10 176.28 2br8 s ASN 197 N 1.52 6.53 -0.41 3.32 2.47 0.13 -1.12 114.94 127.38 2br8 s ASN 197 Ca 0.05 0.50 -0.17 0.00 0.42 0.00 0.00 52.86 53.66 2br8 s ASN 197 Cb -0.15 -2.34 0.02 0.00 -1.45 0.00 0.00 41.25 37.32 2br8 s ASN 197 CO -0.00 -0.48 0.43 -0.22 -3.72 0.00 0.00 177.10 173.11 2br8 s LEU 198 N 2.63 4.79 -0.24 3.21 2.96 0.31 -1.65 118.68 130.69 2br8 s LEU 198 Ca 0.26 -0.59 0.02 0.00 -0.22 0.00 0.00 54.13 53.60 2br8 s LEU 198 Cb -0.15 -2.39 0.05 0.00 0.50 0.00 0.00 46.19 44.20 2br8 s LEU 198 CO 0.11 -0.54 -0.14 -0.69 -1.32 0.00 0.00 176.35 173.77 2br8 s VAL 199 N 2.13 2.16 -0.12 1.68 1.01 0.01 -0.52 120.40 126.74 2br8 s VAL 199 Ca 0.12 -1.41 0.01 0.00 0.00 0.00 0.00 61.98 60.70 2br8 s VAL 199 Cb -0.17 -2.16 -0.01 0.00 0.00 0.00 0.00 36.38 34.04 2br8 s VAL 199 CO 0.13 0.15 -0.17 0.68 0.00 0.00 0.00 175.10 175.89 2br8 s VAL 200 N 1.16 2.68 -0.19 2.92 -7.23 -0.31 -0.89 120.40 118.54 2br8 s VAL 200 Ca -0.05 -0.80 -0.06 0.00 -1.81 0.00 0.00 61.98 59.26 2br8 s VAL 200 Cb -0.18 -2.09 -0.04 0.00 0.56 0.00 0.00 36.38 34.63 2br8 s VAL 200 CO -0.07 0.54 0.04 -0.75 -0.31 0.00 0.00 175.10 174.54 2br8 s LYS 201 N 0.36 3.84 0.19 4.82 2.20 0.59 -1.46 119.74 130.28 2br8 s LYS 201 Ca -0.14 -0.41 -0.12 0.00 -0.36 0.00 0.00 55.97 54.94 2br8 s LYS 201 Cb -0.17 -3.16 0.00 0.00 -1.51 0.00 0.00 37.83 33.00 2br8 s LYS 201 CO 0.07 0.18 0.40 -0.59 -0.36 0.00 0.00 175.35 175.04 2br8 s PHE 202 N 0.60 0.24 0.14 4.03 -0.12 0.18 -0.13 117.98 122.91 2br8 s PHE 202 Ca 0.02 -0.59 -0.12 0.00 -0.05 0.00 0.00 56.93 56.19 2br8 s PHE 202 Cb -0.13 0.13 0.01 0.00 -0.63 0.00 0.00 43.02 42.40 2br8 s PHE 202 CO 0.02 -0.84 0.33 -0.98 -0.05 0.00 0.00 175.22 173.70 2br8 s ARG 203 N -3.95 1.10 0.13 1.99 1.70 -0.87 -0.28 118.95 118.77 2br8 s ARG 203 Ca 0.16 -0.96 -0.31 0.00 -0.47 0.00 0.00 55.73 54.14 2br8 s ARG 203 Cb 0.01 0.42 -0.10 0.00 -0.57 0.00 0.00 34.95 34.71 2br8 s ARG 203 CO 0.01 -0.41 1.65 -2.00 -1.08 0.00 0.00 175.30 173.46 2br8 s GLU 204 N -3.89 4.19 0.00 3.89 2.12 0.62 -0.47 118.70 125.15 2br8 s GLU 204 Ca 0.10 2.41 0.00 0.00 0.36 0.00 0.00 54.97 57.83 2br8 s GLU 204 Cb 0.03 -3.34 0.00 0.00 0.26 0.00 0.00 34.13 31.07 2br8 s GLU 204 CO -0.06 -0.69 0.25 -2.13 -0.54 0.00 0.00 175.26 172.09