#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2br8 n ALA 2 N 0.00 0.00 0.17 -1.58 0.00 -1.26 -4.74 120.51 113.10 2br8 n ALA 2 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.47 2br8 n ALA 2 Cb 0.00 -0.95 0.27 0.00 0.00 0.00 0.00 19.45 18.77 2br8 n ALA 2 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 2br8 h ASN 3 N 0.00 0.00 0.40 0.00 2.35 -1.99 -3.23 115.58 113.11 2br8 h ASN 3 Ca 0.00 0.00 -0.18 0.00 -0.55 0.00 0.00 56.30 55.57 2br8 h ASN 3 Cb 0.24 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.60 2br8 h ASN 3 CO 0.00 0.46 -0.75 0.25 -1.65 0.00 0.00 177.43 175.74 2br8 h LEU 4 N 0.00 0.35 -1.78 1.61 5.85 -1.89 -2.74 115.31 116.70 2br8 h LEU 4 Ca -0.00 -0.24 -0.03 0.00 0.84 0.00 0.00 57.88 58.45 2br8 h LEU 4 Cb 0.98 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.90 2br8 h LEU 4 CO 0.06 0.97 -0.15 0.24 -0.34 0.00 0.00 178.44 179.22 2br8 h MET 5 N 0.19 0.00 0.00 1.25 2.86 -1.96 -1.68 114.93 115.59 2br8 h MET 5 Ca -0.03 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.61 2br8 h MET 5 Cb 1.32 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.98 2br8 h MET 5 CO 0.12 0.15 -0.00 -0.09 1.06 0.00 0.00 176.91 178.15 2br8 h ARG 6 N 0.00 -0.00 -0.23 1.72 2.43 -1.64 -3.08 114.38 113.58 2br8 h ARG 6 Ca -0.00 0.00 0.03 0.00 -0.81 0.00 0.00 59.98 59.20 2br8 h ARG 6 Cb 0.30 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.82 2br8 h ARG 6 CO 0.02 0.90 0.03 1.25 -1.51 0.00 0.00 179.97 180.67 2br8 h LEU 7 N -0.91 -0.02 -0.53 3.80 5.85 -1.35 0.40 115.31 122.56 2br8 h LEU 7 Ca -0.00 0.04 0.09 0.00 0.84 0.00 0.00 57.88 58.85 2br8 h LEU 7 Cb 0.90 0.06 -0.07 0.00 0.37 0.00 0.00 40.66 41.92 2br8 h LEU 7 CO 0.00 0.02 0.12 0.11 -0.34 0.00 0.00 178.44 178.35 2br8 h LYS 8 N 0.12 0.25 -0.63 1.25 1.57 -1.47 0.24 116.57 117.90 2br8 h LYS 8 Ca 0.11 -0.02 -0.07 0.00 -1.87 0.00 0.00 60.65 58.80 2br8 h LYS 8 Cb 0.12 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.34 2br8 h LYS 8 CO -0.16 0.17 0.11 1.03 -0.57 0.00 0.00 179.45 180.03 2br8 h SER 9 N 0.26 0.99 0.36 0.86 0.87 -1.31 0.60 113.55 116.18 2br8 h SER 9 Ca 0.27 -0.26 -0.09 0.00 -1.23 0.00 0.00 61.79 60.48 2br8 h SER 9 Cb 0.36 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 62.04 2br8 h SER 9 CO -0.33 1.00 -0.41 0.44 -0.53 0.00 0.00 176.83 176.99 2br8 h ASP 10 N 0.95 0.08 0.00 6.23 3.32 0.44 -1.95 116.42 125.48 2br8 h ASP 10 Ca 0.19 -0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.21 2br8 h ASP 10 Cb 0.42 -0.02 -0.00 0.00 0.22 0.00 0.00 39.33 39.95 2br8 h ASP 10 CO 0.01 0.48 -0.02 -0.07 -1.72 0.00 0.00 179.24 177.92 2br8 h LEU 11 N 0.06 0.00 -2.55 1.55 3.38 -0.39 -3.37 115.31 113.99 2br8 h LEU 11 Ca 0.00 -0.71 -0.13 0.00 0.09 0.00 0.00 57.88 57.13 2br8 h LEU 11 Cb 0.76 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.43 2br8 h LEU 11 CO 0.06 0.87 0.17 0.49 0.09 0.00 0.00 178.44 180.11 2br8 n PHE 12 N -4.65 1.14 -2.27 1.13 0.99 0.19 -3.61 117.46 110.38 2br8 n PHE 12 Ca -0.08 -0.77 0.02 0.00 -0.00 0.00 0.00 57.45 56.63 2br8 n PHE 12 Cb 0.35 -0.44 0.01 0.00 -1.00 0.00 0.00 39.48 38.40 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 -0.01 0.52 -4.45 4.37 5.03 -0.74 -4.96 115.26 115.02 2br8 n ASN 13 Ca 0.20 -1.99 -0.33 0.00 0.87 0.00 0.00 54.58 53.34 2br8 n ASN 13 Cb 0.86 -0.24 -0.13 0.00 -1.02 0.00 0.00 39.78 39.25 2br8 n ASN 13 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 2br8 s ARG 14 N 0.00 2.84 0.08 3.52 3.00 -1.24 -4.99 118.95 122.15 2br8 s ARG 14 Ca 0.18 -0.67 -0.06 0.00 0.00 0.00 0.00 55.73 55.18 2br8 s ARG 14 Cb 0.21 -2.49 0.08 0.00 0.00 0.00 0.00 34.95 32.74 2br8 s ARG 14 CO -0.09 0.49 0.51 0.43 0.00 0.00 0.00 175.30 176.64 2br8 n SER 15 N 2.72 -0.22 -4.49 0.23 7.64 -1.26 -3.99 113.62 114.25 2br8 n SER 15 Ca -0.18 0.58 -0.17 0.00 1.01 0.00 0.00 58.87 60.12 2br8 n SER 15 Cb 0.52 -0.13 -0.15 0.00 -1.01 0.00 0.00 64.21 63.45 2br8 n SER 15 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 2br8 n PRO 16 N -4.48 0.21 -3.21 1.43 -0.04 -1.26 -4.87 135.00 122.78 2br8 n PRO 16 Ca 0.03 -0.41 -0.41 0.00 -0.04 0.00 0.00 63.50 62.67 2br8 n PRO 16 Cb 0.13 -2.17 -0.07 0.00 -0.04 0.00 0.00 33.50 31.34 2br8 n PRO 16 CO 0.00 0.00 0.00 1.41 -0.04 0.00 0.00 175.50 176.87 2br8 s MET 17 N 7.67 3.83 0.02 0.54 1.75 -1.26 -4.99 119.30 126.86 2br8 s MET 17 Ca 1.05 0.09 -0.34 0.00 -1.25 0.00 0.00 55.69 55.25 2br8 s MET 17 Cb -0.48 -3.74 -0.13 0.00 2.84 0.00 0.00 34.83 33.33 2br8 s MET 17 CO 0.33 -0.53 1.76 0.98 -0.65 0.00 0.00 175.02 176.90 2br8 n TYR 18 N 5.71 2.31 1.99 4.11 9.36 -1.26 -4.88 117.16 134.51 2br8 n TYR 18 Ca -0.04 0.10 0.08 0.00 3.32 0.00 0.00 57.90 61.36 2br8 n TYR 18 Cb 0.49 -2.62 0.49 0.00 -0.63 0.00 0.00 39.34 37.08 2br8 n TYR 18 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 2br8 n PRO 19 N 5.32 1.01 0.00 2.98 -0.04 -1.26 -4.86 135.00 138.15 2br8 n PRO 19 Ca 0.20 -0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.65 2br8 n PRO 19 Cb 0.29 -1.26 0.00 0.00 -0.04 0.00 0.00 33.50 32.49 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 0.76 0.16 3.77 0.55 0.00 -1.26 -5.03 105.19 104.14 2br8 n GLY 20 Ca 0.13 -1.80 -0.29 0.00 0.00 0.00 0.00 46.02 44.05 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 -2.15 1.50 0.08 1.61 0.04 -1.26 -5.08 135.00 129.74 2br8 s PRO 21 Ca 0.00 0.59 -0.02 0.00 0.04 0.00 0.00 61.00 61.60 2br8 s PRO 21 Cb 0.00 -1.86 -0.03 0.00 0.04 0.00 0.00 34.50 32.65 2br8 s PRO 21 CO 0.00 -2.02 0.03 0.95 0.04 0.00 0.00 177.00 176.00 2br8 s THR 22 N -3.11 0.18 0.52 1.26 -4.23 -1.05 -4.98 115.64 104.23 2br8 s THR 22 Ca 0.63 -1.74 0.28 0.00 -1.18 0.00 0.00 61.69 59.68 2br8 s THR 22 Cb -0.16 -1.63 0.45 0.00 1.34 0.00 0.00 72.50 72.50 2br8 s THR 22 CO 0.55 -0.80 1.90 0.50 -0.54 0.00 0.00 174.62 176.23 2br8 h LYS 23 N 3.01 0.06 0.00 3.99 3.11 -1.92 0.26 116.57 125.08 2br8 h LYS 23 Ca -0.34 -0.00 -0.20 0.00 -2.81 0.00 0.00 60.65 57.29 2br8 h LYS 23 Cb 1.16 -0.01 -0.03 0.00 -1.00 0.00 0.00 32.23 32.35 2br8 h LYS 23 CO 0.62 0.04 -0.97 -0.44 -2.81 0.00 0.00 179.45 175.89 2br8 h ASP 24 N 0.06 0.00 -2.16 4.20 3.32 -1.96 -3.39 116.42 116.49 2br8 h ASP 24 Ca 0.41 -0.00 -0.58 0.00 0.02 0.00 0.00 57.03 56.87 2br8 h ASP 24 Cb 1.51 -0.00 -0.41 0.00 0.22 0.00 0.00 39.33 40.65 2br8 h ASP 24 CO -0.03 0.97 -0.74 -0.67 -1.72 0.00 0.00 179.24 177.05 2br8 n ASP 25 N -3.38 3.07 -4.77 6.45 2.03 0.82 -5.11 116.55 115.65 2br8 n ASP 25 Ca -0.00 -3.33 -0.33 0.00 0.52 0.00 0.00 54.79 51.65 2br8 n ASP 25 Cb 0.92 -0.64 0.05 0.00 -0.72 0.00 0.00 41.12 40.73 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 -2.47 2.76 -0.01 -0.67 0.04 -0.67 -2.51 135.00 131.47 2br8 s PRO 26 Ca 0.41 1.35 0.06 0.00 0.04 0.00 0.00 61.00 62.86 2br8 s PRO 26 Cb 0.20 -1.95 -0.02 0.00 0.04 0.00 0.00 34.50 32.77 2br8 s PRO 26 CO -0.06 -1.27 -0.19 -1.17 0.04 0.00 0.00 177.00 174.34 2br8 s LEU 27 N -4.97 2.04 -0.20 -3.56 2.96 0.03 -4.95 118.68 110.03 2br8 s LEU 27 Ca 0.66 -0.35 -0.08 0.00 -0.22 0.00 0.00 54.13 54.14 2br8 s LEU 27 Cb -0.20 -0.97 -0.04 0.00 0.50 0.00 0.00 46.19 45.48 2br8 s LEU 27 CO 0.43 0.23 0.08 -0.89 -1.32 0.00 0.00 176.35 174.88 2br8 s THR 28 N -0.46 4.89 -0.12 3.68 2.01 -1.26 -0.25 115.64 124.13 2br8 s THR 28 Ca 0.07 0.01 0.02 0.00 0.31 0.00 0.00 61.69 62.10 2br8 s THR 28 Cb -0.07 -3.23 -0.00 0.00 0.01 0.00 0.00 72.50 69.21 2br8 s THR 28 CO -0.01 0.43 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.46 2br8 s VAL 29 N 0.59 2.35 -0.12 3.82 1.01 -0.54 -4.44 120.40 123.06 2br8 s VAL 29 Ca 0.04 -0.91 -0.07 0.00 0.00 0.00 0.00 61.98 61.05 2br8 s VAL 29 Cb -0.13 -1.93 -0.04 0.00 0.00 0.00 0.00 36.38 34.28 2br8 s VAL 29 CO 0.01 0.55 0.13 -0.89 0.00 0.00 0.00 175.10 174.90 2br8 s THR 30 N 0.45 5.42 -0.04 3.92 2.01 -0.03 -1.06 115.64 126.30 2br8 s THR 30 Ca -0.14 0.18 0.01 0.00 0.31 0.00 0.00 61.69 62.05 2br8 s THR 30 Cb -0.17 -3.36 0.02 0.00 0.01 0.00 0.00 72.50 69.00 2br8 s THR 30 CO 0.06 0.62 -0.06 -0.22 -0.69 0.00 0.00 174.62 174.32 2br8 s LEU 31 N -1.00 1.45 -0.10 4.42 2.96 0.80 -2.28 118.68 124.92 2br8 s LEU 31 Ca 0.15 -0.16 -0.14 0.00 -0.22 0.00 0.00 54.13 53.76 2br8 s LEU 31 Cb -0.12 -0.52 0.03 0.00 0.50 0.00 0.00 46.19 46.09 2br8 s LEU 31 CO 0.04 -0.02 0.36 -0.83 -1.32 0.00 0.00 176.35 174.57 2br8 s GLY 32 N 0.77 -0.25 0.08 7.98 0.00 -0.98 -3.97 107.32 110.96 2br8 s GLY 32 Ca -0.11 0.86 0.09 0.00 0.00 0.00 0.00 44.72 45.56 2br8 s GLY 32 CO 0.01 0.70 -0.24 -1.36 0.00 0.00 0.00 173.10 172.21 2br8 s PHE 33 N -0.23 2.04 -0.24 1.90 0.08 -1.26 -1.15 117.98 119.11 2br8 s PHE 33 Ca -0.04 -0.40 0.02 0.00 0.12 0.00 0.00 56.93 56.63 2br8 s PHE 33 Cb -0.03 -1.16 0.06 0.00 -0.57 0.00 0.00 43.02 41.32 2br8 s PHE 33 CO 0.02 0.19 -0.08 0.99 -0.10 0.00 0.00 175.22 176.24 2br8 s THR 34 N -0.96 1.77 -0.15 0.64 2.01 -0.17 -3.35 115.64 115.42 2br8 s THR 34 Ca 0.10 -1.37 -0.29 0.00 0.31 0.00 0.00 61.69 60.43 2br8 s THR 34 Cb -0.10 -1.97 -0.01 0.00 0.01 0.00 0.00 72.50 70.43 2br8 s THR 34 CO 0.04 -0.07 1.18 -0.76 -0.69 0.00 0.00 174.62 174.31 2br8 s LEU 35 N 1.28 4.19 -0.23 4.42 2.01 -1.18 -1.26 118.68 127.91 2br8 s LEU 35 Ca -0.07 1.63 -0.06 0.00 0.01 0.00 0.00 54.13 55.64 2br8 s LEU 35 Cb -0.19 -3.54 -0.12 0.00 0.01 0.00 0.00 46.19 42.34 2br8 s LEU 35 CO -0.06 -0.68 -0.26 0.00 1.01 0.00 0.00 176.35 176.36 2br8 n GLN 36 N 6.11 0.53 -3.64 1.70 6.02 0.06 -3.62 117.38 124.54 2br8 n GLN 36 Ca 0.12 0.19 -0.07 0.00 -0.01 0.00 0.00 57.00 57.23 2br8 n GLN 36 Cb 0.46 -1.39 -0.07 0.00 1.02 0.00 0.00 30.24 30.25 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 -6.76 -0.77 -0.44 1.08 2.15 -1.06 0.50 116.67 111.38 2br8 s ASP 37 Ca -0.32 1.27 -0.25 0.00 0.43 0.00 0.00 52.55 53.68 2br8 s ASP 37 Cb 0.11 1.31 0.02 0.00 -0.30 0.00 0.00 42.92 44.06 2br8 s ASP 37 CO 0.46 -0.20 0.90 -0.63 -0.17 0.00 0.00 175.17 175.53 2br8 s ILE 38 N 1.27 4.53 -0.06 4.11 1.01 -1.26 -0.21 121.20 130.59 2br8 s ILE 38 Ca -0.07 0.82 -0.13 0.00 0.00 0.00 0.00 60.65 61.26 2br8 s ILE 38 Cb -0.05 -4.39 -0.30 0.00 0.01 0.00 0.00 42.46 37.73 2br8 s ILE 38 CO -0.15 -0.74 0.67 0.58 0.00 0.00 0.00 174.94 175.30 2br8 h VAL 39 N 6.00 1.01 -3.20 2.92 2.07 -1.46 -3.41 116.25 120.17 2br8 h VAL 39 Ca -0.24 -2.49 -0.16 0.00 0.82 0.00 0.00 66.70 64.63 2br8 h VAL 39 Cb 1.08 2.79 -0.24 0.00 -1.52 0.00 0.00 31.29 33.40 2br8 h VAL 39 CO 1.00 0.81 -0.42 -0.75 0.02 0.00 0.00 177.57 178.23 2br8 s LYS 40 N -2.55 0.37 -0.04 1.57 2.20 -1.23 -4.95 119.74 115.12 2br8 s LYS 40 Ca -0.17 0.13 0.05 0.00 -0.36 0.00 0.00 55.97 55.63 2br8 s LYS 40 Cb 0.05 0.17 -0.01 0.00 -1.51 0.00 0.00 37.83 36.53 2br8 s LYS 40 CO 0.84 -0.07 -0.20 0.08 -0.36 0.00 0.00 175.35 175.64 2br8 s VAL 41 N -0.35 1.63 -0.22 4.02 1.01 -1.26 -1.45 120.40 123.79 2br8 s VAL 41 Ca -0.05 -0.85 -0.01 0.00 0.00 0.00 0.00 61.98 61.08 2br8 s VAL 41 Cb -0.03 -1.39 0.06 0.00 0.00 0.00 0.00 36.38 35.03 2br8 s VAL 41 CO 0.01 0.46 0.01 -0.62 0.00 0.00 0.00 175.10 174.96 2br8 s ASP 42 N -0.15 3.43 0.19 3.32 -1.08 -0.42 -5.01 116.67 116.95 2br8 s ASP 42 Ca -0.01 -1.07 0.24 0.00 -0.52 0.00 0.00 52.55 51.19 2br8 s ASP 42 Cb -0.11 -0.87 0.24 0.00 -1.46 0.00 0.00 42.92 40.72 2br8 s ASP 42 CO 0.02 -0.29 1.27 0.77 0.52 0.00 0.00 175.17 177.46 2br8 h SER 43 N 8.10 0.00 0.48 -0.34 4.64 -1.94 -2.94 113.55 121.56 2br8 h SER 43 Ca -0.16 -0.11 -0.30 0.00 -0.47 0.00 0.00 61.79 60.75 2br8 h SER 43 Cb 1.09 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 63.19 2br8 h SER 43 CO 0.38 0.05 -1.36 0.77 -0.87 0.00 0.00 176.83 175.81 2br8 h SER 44 N 0.00 0.57 -1.21 4.97 4.64 -1.97 -3.42 113.55 117.12 2br8 h SER 44 Ca 0.00 -0.63 -0.49 0.00 -0.47 0.00 0.00 61.79 60.20 2br8 h SER 44 Cb 0.86 -0.19 0.05 0.00 -0.31 0.00 0.00 62.40 62.82 2br8 h SER 44 CO 0.00 1.50 0.00 0.42 -0.87 0.00 0.00 176.83 177.88 2br8 s THR 45 N -2.63 2.03 -0.72 2.95 -4.23 -1.25 -5.06 115.64 106.72 2br8 s THR 45 Ca -0.06 -0.84 0.04 0.00 -1.18 0.00 0.00 61.69 59.65 2br8 s THR 45 Cb 0.06 -2.19 0.24 0.00 1.34 0.00 0.00 72.50 71.95 2br8 s THR 45 CO 0.90 0.00 0.78 0.59 -0.54 0.00 0.00 174.62 176.35 2br8 n ASN 46 N -2.54 3.95 -4.30 3.99 5.03 -1.25 -4.76 115.26 115.38 2br8 n ASN 46 Ca 0.17 -3.37 -0.28 0.00 0.87 0.00 0.00 54.58 51.97 2br8 n ASN 46 Cb 0.61 -0.78 -0.14 0.00 -1.02 0.00 0.00 39.78 38.45 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 -2.22 1.61 0.03 3.52 2.02 -1.11 0.46 118.70 123.01 2br8 s GLU 47 Ca 0.35 -1.02 0.06 0.00 0.02 0.00 0.00 54.97 54.38 2br8 s GLU 47 Cb 0.08 -1.75 -0.02 0.00 0.10 0.00 0.00 34.13 32.54 2br8 s GLU 47 CO -0.04 0.45 -0.17 0.08 0.02 0.00 0.00 175.26 175.60 2br8 s VAL 48 N -0.79 1.37 -0.16 2.63 1.01 -0.44 -1.30 120.40 122.72 2br8 s VAL 48 Ca 0.10 -0.99 -0.04 0.00 0.00 0.00 0.00 61.98 61.05 2br8 s VAL 48 Cb -0.09 -1.19 -0.03 0.00 0.00 0.00 0.00 36.38 35.07 2br8 s VAL 48 CO 0.02 0.18 -0.03 -1.81 0.00 0.00 0.00 175.10 173.45 2br8 s ASP 49 N -0.95 4.77 -0.03 3.32 1.11 -0.53 -1.58 116.67 122.79 2br8 s ASP 49 Ca 0.05 -0.15 0.07 0.00 0.18 0.00 0.00 52.55 52.70 2br8 s ASP 49 Cb -0.08 -1.79 -0.02 0.00 1.07 0.00 0.00 42.92 42.11 2br8 s ASP 49 CO 0.01 0.15 -0.25 -0.76 1.18 0.00 0.00 175.17 175.50 2br8 s LEU 50 N 0.49 2.05 -0.21 1.23 1.43 0.03 -1.06 118.68 122.65 2br8 s LEU 50 Ca -0.03 -0.46 -0.07 0.00 -1.03 0.00 0.00 54.13 52.53 2br8 s LEU 50 Cb -0.14 -1.30 -0.04 0.00 0.03 0.00 0.00 46.19 44.74 2br8 s LEU 50 CO 0.03 0.29 0.06 -0.69 0.23 0.00 0.00 176.35 176.27 2br8 s VAL 51 N -0.49 4.53 0.07 -1.59 1.01 0.70 -1.44 120.40 123.19 2br8 s VAL 51 Ca 0.07 -0.11 -0.16 0.00 0.00 0.00 0.00 61.98 61.77 2br8 s VAL 51 Cb -0.11 -3.07 0.03 0.00 0.00 0.00 0.00 36.38 33.23 2br8 s VAL 51 CO 0.00 0.40 0.38 -0.72 0.00 0.00 0.00 175.10 175.16 2br8 s TYR 52 N 0.93 -0.19 -0.17 5.22 -0.85 -0.57 -0.76 117.35 120.96 2br8 s TYR 52 Ca 0.04 0.02 -0.08 0.00 -0.52 0.00 0.00 57.07 56.53 2br8 s TYR 52 Cb -0.14 0.19 -0.05 0.00 0.38 0.00 0.00 41.96 42.35 2br8 s TYR 52 CO 0.03 -0.60 0.12 0.71 -1.52 0.00 0.00 175.55 174.28 2br8 s TYR 53 N -3.00 3.43 -0.34 -3.49 2.02 -0.39 -0.60 117.35 114.99 2br8 s TYR 53 Ca -0.02 0.34 -0.04 0.00 -0.37 0.00 0.00 57.07 56.98 2br8 s TYR 53 Cb 0.00 -2.07 0.06 0.00 -0.40 0.00 0.00 41.96 39.55 2br8 s TYR 53 CO -0.06 0.41 0.09 -2.00 -1.57 0.00 0.00 175.55 172.41 2br8 s GLU 54 N -0.09 2.43 -0.36 -0.62 2.12 -0.75 -1.00 118.70 120.43 2br8 s GLU 54 Ca 0.09 -1.35 -0.25 0.00 0.36 0.00 0.00 54.97 53.83 2br8 s GLU 54 Cb -0.11 -3.38 0.01 0.00 0.26 0.00 0.00 34.13 30.90 2br8 s GLU 54 CO 0.00 -0.74 0.86 -1.14 -0.54 0.00 0.00 175.26 173.70 2br8 s GLN 55 N 1.29 3.83 -0.10 4.30 0.74 -0.30 -3.45 119.66 125.98 2br8 s GLN 55 Ca -0.01 0.50 -0.01 0.00 0.05 0.00 0.00 55.36 55.88 2br8 s GLN 55 Cb -0.20 -3.79 -0.03 0.00 1.10 0.00 0.00 33.01 30.08 2br8 s GLN 55 CO -0.00 -0.87 -0.04 -0.65 -0.55 0.00 0.00 175.29 173.18 2br8 s GLN 56 N 3.26 3.06 -0.01 1.67 -0.21 -0.14 -2.31 119.66 124.98 2br8 s GLN 56 Ca 0.35 -0.50 0.01 0.00 0.02 0.00 0.00 55.36 55.23 2br8 s GLN 56 Cb -0.13 -2.73 0.00 0.00 1.00 0.00 0.00 33.01 31.15 2br8 s GLN 56 CO 0.17 0.56 -0.02 0.50 -2.12 0.00 0.00 175.29 174.39 2br8 s ARG 57 N -0.52 0.17 0.36 2.91 3.52 -0.97 -1.44 118.95 122.99 2br8 s ARG 57 Ca 0.08 -0.05 -0.15 0.00 -0.13 0.00 0.00 55.73 55.49 2br8 s ARG 57 Cb -0.12 -0.20 0.04 0.00 -1.56 0.00 0.00 34.95 33.11 2br8 s ARG 57 CO 0.02 0.02 0.74 1.67 -0.81 0.00 0.00 175.30 176.93 2br8 s TRP 58 N 0.12 0.19 -0.08 5.12 -2.14 -0.82 -0.85 118.94 120.47 2br8 s TRP 58 Ca -0.01 -0.78 -0.04 0.00 2.66 0.00 0.00 56.10 57.94 2br8 s TRP 58 Cb -0.03 0.71 0.05 0.00 -3.10 0.00 0.00 33.47 31.09 2br8 s TRP 58 CO -0.00 -1.47 0.18 0.21 -2.66 0.00 0.00 176.95 173.21 2br8 s LYS 59 N -2.66 0.09 -0.06 3.25 2.20 -1.26 0.57 119.74 121.87 2br8 s LYS 59 Ca 0.17 0.50 0.05 0.00 -0.36 0.00 0.00 55.97 56.33 2br8 s LYS 59 Cb -0.05 -0.19 -0.01 0.00 -1.51 0.00 0.00 37.83 36.08 2br8 s LYS 59 CO 0.12 -0.23 -0.22 -0.51 -0.36 0.00 0.00 175.35 174.15 2br8 s LEU 60 N 1.69 2.02 0.42 5.43 1.43 0.31 -4.93 118.68 125.05 2br8 s LEU 60 Ca -0.04 -0.47 0.11 0.00 -1.03 0.00 0.00 54.13 52.70 2br8 s LEU 60 Cb -0.12 -1.25 0.95 0.00 0.03 0.00 0.00 46.19 45.80 2br8 s LEU 60 CO -0.07 0.21 2.00 0.78 0.23 0.00 0.00 176.35 179.50 2br8 h ASN 61 N 6.20 0.43 0.21 2.29 2.35 -1.89 -2.39 115.58 122.77 2br8 h ASN 61 Ca -0.31 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.45 2br8 h ASN 61 Cb 1.18 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 39.46 2br8 h ASN 61 CO 0.47 0.28 0.00 -1.54 -1.65 0.00 0.00 177.43 174.99 2br8 n SER 62 N -4.47 0.00 -0.07 5.81 3.41 -1.26 -2.40 113.62 114.64 2br8 n SER 62 Ca 0.08 0.25 0.09 0.00 -0.26 0.00 0.00 58.87 59.03 2br8 n SER 62 Cb 0.27 -0.35 0.12 0.00 -0.26 0.00 0.00 64.21 64.00 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 -1.35 2.29 -4.81 1.04 4.77 -0.90 -5.03 117.00 113.01 2br8 n LEU 63 Ca 0.04 -2.95 -0.36 0.00 -0.03 0.00 0.00 56.01 52.71 2br8 n LEU 63 Cb 0.08 -0.38 -0.06 0.00 -2.33 0.00 0.00 43.42 40.73 2br8 n LEU 63 CO 0.07 0.68 0.45 -0.04 -1.33 0.00 0.00 177.39 177.22 2br8 s MET 64 N -2.65 4.28 0.21 3.23 -1.94 -1.01 -3.54 119.30 117.88 2br8 s MET 64 Ca 0.28 0.92 -0.09 0.00 -1.71 0.00 0.00 55.69 55.08 2br8 s MET 64 Cb 0.25 -2.85 -0.01 0.00 2.01 0.00 0.00 34.83 34.23 2br8 s MET 64 CO 0.03 0.37 0.35 1.67 -0.01 0.00 0.00 175.02 177.42 2br8 s TRP 65 N -1.56 0.52 -0.27 -0.03 -2.14 -0.37 -4.95 118.94 110.14 2br8 s TRP 65 Ca 0.44 -0.85 -0.10 0.00 2.66 0.00 0.00 56.10 58.25 2br8 s TRP 65 Cb -0.17 -0.03 -0.05 0.00 -3.10 0.00 0.00 33.47 30.13 2br8 s TRP 65 CO 0.21 -0.83 0.16 0.34 -2.66 0.00 0.00 176.95 174.17 2br8 s ASP 66 N -3.02 5.84 0.33 -2.66 2.15 -1.26 -4.68 116.67 113.37 2br8 s ASP 66 Ca 0.23 -0.03 0.06 0.00 0.43 0.00 0.00 52.55 53.24 2br8 s ASP 66 Cb 0.02 -2.07 0.71 0.00 -0.30 0.00 0.00 42.92 41.28 2br8 s ASP 66 CO 0.06 -0.03 1.88 -0.65 -0.17 0.00 0.00 175.17 176.27 2br8 h PRO 67 N 8.18 0.79 0.00 4.34 0.11 -1.93 -2.63 132.00 140.86 2br8 h PRO 67 Ca -0.36 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.70 2br8 h PRO 67 Cb 1.18 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.12 2br8 h PRO 67 CO 0.57 0.52 0.04 -0.91 -0.21 0.00 0.00 178.00 178.02 2br8 h ASN 68 N 0.81 0.00 0.51 -2.05 2.35 -1.92 0.46 115.58 115.73 2br8 h ASN 68 Ca 0.43 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.18 2br8 h ASN 68 Cb 0.55 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.92 2br8 h ASN 68 CO -0.20 0.00 -1.23 -0.62 -1.65 0.00 0.00 177.43 173.73 2br8 n GLU 69 N -2.99 0.46 -2.51 0.81 1.02 -0.99 -4.55 120.64 111.90 2br8 n GLU 69 Ca -0.03 -0.01 -0.23 0.00 -0.02 0.00 0.00 57.16 56.88 2br8 n GLU 69 Cb 0.11 -1.65 0.01 0.00 -0.02 0.00 0.00 31.44 29.89 2br8 n GLU 69 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 2br8 n TYR 70 N -2.24 2.89 -2.80 -0.32 4.01 0.38 -4.93 117.16 114.15 2br8 n TYR 70 Ca 0.00 -3.01 -0.21 0.00 -0.16 0.00 0.00 57.90 54.52 2br8 n TYR 70 Cb 0.50 -0.15 0.01 0.00 -0.31 0.00 0.00 39.34 39.39 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 -0.40 -0.51 3.16 2.72 0.00 -1.13 -2.15 105.19 106.87 2br8 n GLY 71 Ca 0.33 0.08 -0.23 0.00 0.00 0.00 0.00 46.02 46.19 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 -2.29 -6.23 -4.65 1.61 5.03 0.13 -4.94 115.26 103.91 2br8 n ASN 72 Ca -0.15 -0.35 -0.42 0.00 0.87 0.00 0.00 54.58 54.53 2br8 n ASN 72 Cb 0.64 -5.00 -0.04 0.00 -1.02 0.00 0.00 39.78 34.36 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 -3.22 4.84 -0.30 2.41 1.01 -0.91 -4.94 121.20 120.08 2br8 s ILE 73 Ca 0.37 1.63 0.22 0.00 0.00 0.00 0.00 60.65 62.88 2br8 s ILE 73 Cb -0.16 -4.14 -0.23 0.00 0.01 0.00 0.00 42.46 37.93 2br8 s ILE 73 CO 0.46 -0.05 0.73 0.35 0.00 0.00 0.00 174.94 176.43 2br8 n THR 74 N 5.08 0.13 -3.54 2.92 -2.24 -1.26 -4.21 114.28 111.15 2br8 n THR 74 Ca 0.06 -0.39 -0.07 0.00 -2.27 0.00 0.00 64.05 61.37 2br8 n THR 74 Cb 0.48 0.12 -0.02 0.00 -2.10 0.00 0.00 70.33 68.81 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 -4.33 -0.31 0.08 3.42 1.47 -1.26 -1.49 116.67 114.24 2br8 s ASP 75 Ca -0.02 -0.04 -0.11 0.00 1.18 0.00 0.00 52.55 53.56 2br8 s ASP 75 Cb 0.14 0.36 0.01 0.00 -0.34 0.00 0.00 42.92 43.08 2br8 s ASP 75 CO 0.87 -0.59 0.24 0.72 0.68 0.00 0.00 175.17 177.09 2br8 s PHE 76 N -3.03 0.04 0.08 2.11 -0.12 -0.49 -5.00 117.98 111.55 2br8 s PHE 76 Ca 0.06 -0.36 -0.11 0.00 -0.05 0.00 0.00 56.93 56.48 2br8 s PHE 76 Cb -0.01 0.02 -0.06 0.00 -0.63 0.00 0.00 43.02 42.34 2br8 s PHE 76 CO -0.07 -0.54 0.41 1.03 -0.05 0.00 0.00 175.22 176.00 2br8 s ARG 77 N -3.38 3.79 0.03 1.99 1.81 -1.26 -1.33 118.95 120.60 2br8 s ARG 77 Ca 0.01 0.22 -0.19 0.00 -1.72 0.00 0.00 55.73 54.05 2br8 s ARG 77 Cb 0.02 -3.01 0.04 0.00 -0.45 0.00 0.00 34.95 31.55 2br8 s ARG 77 CO -0.09 0.57 0.44 -0.08 -0.68 0.00 0.00 175.30 175.46 2br8 s THR 78 N -1.37 0.05 0.30 0.02 -1.32 -0.33 -4.98 115.64 108.01 2br8 s THR 78 Ca 0.32 -0.39 -0.30 0.00 -1.21 0.00 0.00 61.69 60.12 2br8 s THR 78 Cb -0.14 -0.93 -0.11 0.00 -1.51 0.00 0.00 72.50 69.81 2br8 s THR 78 CO 0.18 -0.21 1.57 -0.55 -2.21 0.00 0.00 174.62 173.39 2br8 s SER 79 N -1.87 6.38 0.00 8.08 0.15 -1.26 -0.40 113.70 124.77 2br8 s SER 79 Ca -0.06 2.96 0.10 0.00 0.70 0.00 0.00 55.95 59.64 2br8 s SER 79 Cb -0.01 -2.64 0.45 0.00 -1.71 0.00 0.00 66.02 62.11 2br8 s SER 79 CO -0.01 -0.90 1.24 0.00 1.20 0.00 0.00 173.24 174.78 2br8 n ALA 80 N 1.90 1.53 0.72 5.45 0.00 -0.46 -1.10 120.51 128.55 2br8 n ALA 80 Ca 0.07 -0.04 0.12 0.00 0.00 0.00 0.00 53.44 53.59 2br8 n ALA 80 Cb 0.38 -1.15 0.29 0.00 0.00 0.00 0.00 19.45 18.96 2br8 n ALA 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2br8 n ALA 81 N -1.39 2.83 1.15 0.00 0.00 -1.26 -3.44 120.51 118.41 2br8 n ALA 81 Ca 0.03 -0.20 0.14 0.00 0.00 0.00 0.00 53.44 53.41 2br8 n ALA 81 Cb 0.09 -1.26 0.65 0.00 0.00 0.00 0.00 19.45 18.93 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 -1.95 0.00 -4.11 0.00 8.00 -0.26 -4.87 116.55 113.36 2br8 n ASP 82 Ca 0.05 0.20 -0.08 0.00 0.71 0.00 0.00 54.79 55.66 2br8 n ASP 82 Cb 0.41 -0.40 -0.10 0.00 -0.02 0.00 0.00 41.12 41.01 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 -2.79 0.37 0.42 0.53 -4.36 -1.22 -4.96 121.20 109.18 2br8 s ILE 83 Ca 0.20 -1.84 -0.25 0.00 -0.26 0.00 0.00 60.65 58.49 2br8 s ILE 83 Cb 0.19 -1.56 -0.08 0.00 1.25 0.00 0.00 42.46 42.25 2br8 s ILE 83 CO 0.47 -0.96 1.24 0.86 0.24 0.00 0.00 174.94 176.80 2br8 s TRP 84 N -3.81 2.88 0.04 1.37 -0.00 -1.26 -4.96 118.94 113.20 2br8 s TRP 84 Ca 0.08 1.47 0.02 0.00 -0.00 0.00 0.00 56.10 57.68 2br8 s TRP 84 Cb 0.07 -3.55 -0.02 0.00 -0.00 0.00 0.00 33.47 29.97 2br8 s TRP 84 CO -0.08 -1.80 -0.07 0.95 -0.00 0.00 0.00 176.95 175.94 2br8 s THR 85 N -1.34 0.50 0.78 5.86 -4.23 -1.26 -5.09 115.64 110.85 2br8 s THR 85 Ca 0.58 -0.96 -0.11 0.00 -1.18 0.00 0.00 61.69 60.02 2br8 s THR 85 Cb -0.35 -0.55 0.06 0.00 1.34 0.00 0.00 72.50 73.00 2br8 s THR 85 CO 0.44 -0.33 1.10 -2.16 -0.54 0.00 0.00 174.62 173.13 2br8 s PRO 86 N -1.39 2.15 -0.50 3.99 0.04 -1.26 -4.94 135.00 133.09 2br8 s PRO 86 Ca -0.09 1.25 -0.02 0.00 0.04 0.00 0.00 61.00 62.18 2br8 s PRO 86 Cb -0.09 -1.88 0.26 0.00 0.04 0.00 0.00 34.50 32.83 2br8 s PRO 86 CO 0.00 -1.73 2.20 -0.40 0.04 0.00 0.00 177.00 177.11 2br8 n ASP 87 N -3.48 6.93 -4.70 6.66 5.75 -1.26 -4.97 116.55 121.47 2br8 n ASP 87 Ca 0.10 -3.38 -0.42 0.00 -0.01 0.00 0.00 54.79 51.08 2br8 n ASP 87 Cb 0.53 -1.08 -0.03 0.00 -1.03 0.00 0.00 41.12 39.51 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 -3.27 3.14 0.03 2.12 -1.09 -1.26 -2.62 121.20 118.25 2br8 s ILE 88 Ca 0.49 0.68 0.03 0.00 -2.23 0.00 0.00 60.65 59.62 2br8 s ILE 88 Cb 0.37 -3.44 -0.02 0.00 -1.58 0.00 0.00 42.46 37.79 2br8 s ILE 88 CO -0.10 0.02 -0.10 -0.89 -1.23 0.00 0.00 174.94 172.63 2br8 s THR 89 N 2.04 0.80 -0.21 2.92 2.01 0.21 -4.90 115.64 118.51 2br8 s THR 89 Ca 0.69 -0.87 -0.29 0.00 0.31 0.00 0.00 61.69 61.53 2br8 s THR 89 Cb -0.38 -0.76 -0.01 0.00 0.01 0.00 0.00 72.50 71.36 2br8 s THR 89 CO 0.30 -0.09 1.38 0.00 -0.69 0.00 0.00 174.62 175.52 2br8 s ALA 90 N -0.86 3.49 -1.02 7.40 0.00 -1.26 -0.69 121.76 128.81 2br8 s ALA 90 Ca -0.02 0.38 0.23 0.00 0.00 0.00 0.00 51.96 52.56 2br8 s ALA 90 Cb -0.07 -3.73 1.01 0.00 0.00 0.00 0.00 23.12 20.33 2br8 s ALA 90 CO 0.01 -1.54 1.75 0.66 0.00 0.00 0.00 175.76 176.64 2br8 n TYR 91 N 7.34 0.00 -1.68 0.00 4.01 -0.16 -3.66 117.16 123.01 2br8 n TYR 91 Ca 0.15 0.00 0.05 0.00 -0.16 0.00 0.00 57.90 57.95 2br8 n TYR 91 Cb 0.45 -0.49 0.10 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 -1.49 1.36 -4.58 7.72 3.41 -1.26 -5.02 113.62 113.76 2br8 n SER 92 Ca 0.06 -2.80 -0.29 0.00 -0.26 0.00 0.00 58.87 55.58 2br8 n SER 92 Cb 0.27 -0.37 0.21 0.00 -0.26 0.00 0.00 64.21 64.06 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 -2.32 1.80 0.00 4.04 1.04 -1.24 -1.89 113.70 115.12 2br8 s SER 93 Ca 0.25 1.49 0.00 0.00 0.48 0.00 0.00 55.95 58.17 2br8 s SER 93 Cb 0.25 -2.20 0.00 0.00 0.10 0.00 0.00 66.02 64.17 2br8 s SER 93 CO -0.03 -3.69 0.14 0.35 0.98 0.00 0.00 173.24 170.98 2br8 n THR 94 N -4.57 0.00 -3.84 2.02 -2.24 0.81 -4.73 114.28 101.72 2br8 n THR 94 Ca 0.05 -0.19 -0.11 0.00 -2.27 0.00 0.00 64.05 61.53 2br8 n THR 94 Cb 0.55 1.43 -0.08 0.00 -2.10 0.00 0.00 70.33 70.12 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 -0.12 0.70 0.24 -0.78 0.52 -1.25 -5.05 118.95 113.21 2br8 s ARG 95 Ca 0.00 -0.61 -0.31 0.00 -0.52 0.00 0.00 55.73 54.28 2br8 s ARG 95 Cb 0.00 0.29 -0.12 0.00 0.52 0.00 0.00 34.95 35.64 2br8 s ARG 95 CO 0.00 -0.20 1.59 -2.30 0.02 0.00 0.00 175.30 174.41 2br8 n PRO 96 N 0.69 2.49 -1.84 3.54 -0.02 -1.26 -4.70 135.00 133.91 2br8 n PRO 96 Ca -0.19 0.89 -0.37 0.00 -2.02 0.00 0.00 63.50 61.81 2br8 n PRO 96 Cb 0.59 -2.67 0.05 0.00 -0.02 0.00 0.00 33.50 31.45 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 0.45 2.22 -0.17 -1.45 0.11 -1.26 -4.91 120.40 115.39 2br8 s VAL 97 Ca 0.70 0.15 -0.05 0.00 -2.93 0.00 0.00 61.98 59.85 2br8 s VAL 97 Cb -0.56 -3.06 -0.03 0.00 -1.53 0.00 0.00 36.38 31.20 2br8 s VAL 97 CO 0.43 -0.02 -0.01 -1.10 -3.33 0.00 0.00 175.10 171.06 2br8 s GLN 98 N -3.20 3.71 -0.11 1.54 -0.21 -0.81 -4.98 119.66 115.59 2br8 s GLN 98 Ca 0.78 -0.49 -0.25 0.00 0.02 0.00 0.00 55.36 55.42 2br8 s GLN 98 Cb -0.36 -3.00 -0.03 0.00 1.00 0.00 0.00 33.01 30.62 2br8 s GLN 98 CO 0.40 0.20 0.78 0.08 -2.12 0.00 0.00 175.29 174.63 2br8 s VAL 99 N 0.50 4.96 -0.04 1.09 1.01 -1.26 -1.44 120.40 125.21 2br8 s VAL 99 Ca -0.02 1.56 0.18 0.00 0.00 0.00 0.00 61.98 63.70 2br8 s VAL 99 Cb -0.14 -4.10 -0.27 0.00 0.00 0.00 0.00 36.38 31.87 2br8 s VAL 99 CO 0.02 0.13 0.36 0.18 0.00 0.00 0.00 175.10 175.79 2br8 n LEU 100 N 4.52 0.00 -4.67 3.92 4.32 0.33 -4.99 117.00 120.44 2br8 n LEU 100 Ca 0.02 0.00 -0.26 0.00 -0.02 0.00 0.00 56.01 55.75 2br8 n LEU 100 Cb 0.50 0.05 -0.09 0.00 -1.62 0.00 0.00 43.42 42.26 2br8 n LEU 100 CO 0.48 0.05 -0.24 -0.94 -1.22 0.00 0.00 177.39 175.52 2br8 s SER 101 N -4.22 4.16 1.12 -1.43 1.04 -1.25 -4.95 113.70 108.17 2br8 s SER 101 Ca -0.07 -1.18 -0.12 0.00 0.48 0.00 0.00 55.95 55.06 2br8 s SER 101 Cb 0.11 -0.45 0.26 0.00 0.10 0.00 0.00 66.02 66.03 2br8 s SER 101 CO 0.75 -0.45 1.05 -2.84 0.98 0.00 0.00 173.24 172.73 2br8 s PRO 102 N -3.79 -0.58 -0.55 4.02 0.02 -1.26 -4.83 135.00 128.03 2br8 s PRO 102 Ca 0.38 1.04 0.04 0.00 0.02 0.00 0.00 61.00 62.47 2br8 s PRO 102 Cb 0.06 -1.58 0.15 0.00 0.02 0.00 0.00 34.50 33.15 2br8 s PRO 102 CO 0.20 -3.56 0.34 -0.65 -0.33 0.00 0.00 177.00 173.01 2br8 s GLN 103 N -4.47 1.80 -0.04 5.54 -0.21 -1.26 -4.78 119.66 116.24 2br8 s GLN 103 Ca 0.68 -2.62 0.02 0.00 0.02 0.00 0.00 55.36 53.47 2br8 s GLN 103 Cb -0.25 -2.83 0.01 0.00 1.00 0.00 0.00 33.01 30.94 2br8 s GLN 103 CO 0.63 -1.22 -0.10 0.42 -2.12 0.00 0.00 175.29 172.91 2br8 s ILE 104 N -0.45 0.88 0.26 1.08 1.01 -1.26 -1.35 121.20 121.36 2br8 s ILE 104 Ca 0.22 -0.39 0.09 0.00 0.00 0.00 0.00 60.65 60.57 2br8 s ILE 104 Cb -0.15 -0.80 -0.04 0.00 0.01 0.00 0.00 42.46 41.49 2br8 s ILE 104 CO -0.08 0.28 0.03 0.00 0.00 0.00 0.00 174.94 175.17 2br8 s ALA 105 N 0.35 3.24 -0.22 9.38 0.00 0.47 -4.59 121.76 130.39 2br8 s ALA 105 Ca -0.06 -1.60 -0.07 0.00 0.00 0.00 0.00 51.96 50.23 2br8 s ALA 105 Cb -0.11 -0.88 -0.03 0.00 0.00 0.00 0.00 23.12 22.10 2br8 s ALA 105 CO 0.01 0.27 0.05 0.54 0.00 0.00 0.00 175.76 176.63 2br8 s VAL 106 N -2.26 4.34 -0.09 0.00 0.11 -0.70 -1.19 120.40 120.61 2br8 s VAL 106 Ca 0.31 -0.17 -0.05 0.00 -2.93 0.00 0.00 61.98 59.14 2br8 s VAL 106 Cb -0.07 -2.99 -0.04 0.00 -1.53 0.00 0.00 36.38 31.75 2br8 s VAL 106 CO 0.21 0.39 0.11 -0.69 -3.33 0.00 0.00 175.10 171.79 2br8 s VAL 107 N 1.11 5.22 0.19 2.04 1.01 -0.44 -1.68 120.40 127.85 2br8 s VAL 107 Ca 0.04 0.04 0.10 0.00 0.00 0.00 0.00 61.98 62.16 2br8 s VAL 107 Cb -0.14 -3.28 -0.04 0.00 0.00 0.00 0.00 36.38 32.91 2br8 s VAL 107 CO 0.03 0.57 -0.22 -0.89 0.00 0.00 0.00 175.10 174.59 2br8 s THR 108 N -1.04 2.16 0.49 3.92 2.01 -0.30 -1.40 115.64 121.49 2br8 s THR 108 Ca 0.16 -2.01 0.41 0.00 0.31 0.00 0.00 61.69 60.56 2br8 s THR 108 Cb -0.12 -2.02 0.41 0.00 0.01 0.00 0.00 72.50 70.77 2br8 s THR 108 CO 0.06 -0.20 2.24 1.12 -0.69 0.00 0.00 174.62 177.15 2br8 h HIS 109 N 3.18 0.00 -0.09 4.92 2.07 -1.53 0.46 115.15 124.16 2br8 h HIS 109 Ca -0.44 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.08 2br8 h HIS 109 Cb 1.21 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.19 2br8 h HIS 109 CO 0.69 0.00 0.00 -0.40 -3.07 0.00 0.00 177.93 175.15 2br8 n ASP 110 N -2.94 0.60 -0.01 3.10 5.75 -1.26 -1.24 116.55 120.55 2br8 n ASP 110 Ca -0.03 -1.74 -0.00 0.00 -0.01 0.00 0.00 54.79 53.01 2br8 n ASP 110 Cb 0.08 -0.06 -0.00 0.00 -1.03 0.00 0.00 41.12 40.11 2br8 n ASP 110 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2br8 n GLY 111 N 0.81 0.47 3.79 6.12 0.00 0.16 -4.76 105.19 111.77 2br8 n GLY 111 Ca 0.10 -0.05 -0.38 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.05 7.28 -0.03 1.61 1.04 -1.21 -0.53 113.70 119.80 2br8 s SER 112 Ca 0.00 1.57 0.07 0.00 0.48 0.00 0.00 55.95 58.07 2br8 s SER 112 Cb 0.00 -2.47 -0.02 0.00 0.10 0.00 0.00 66.02 63.63 2br8 s SER 112 CO 0.00 0.15 -0.24 -0.69 0.98 0.00 0.00 173.24 173.44 2br8 s VAL 113 N -1.27 1.94 -0.03 5.02 1.01 0.19 -1.14 120.40 126.13 2br8 s VAL 113 Ca 0.38 -1.03 0.05 0.00 0.00 0.00 0.00 61.98 61.37 2br8 s VAL 113 Cb -0.21 -1.63 -0.01 0.00 0.00 0.00 0.00 36.38 34.53 2br8 s VAL 113 CO 0.24 0.55 -0.18 -0.32 0.00 0.00 0.00 175.10 175.39 2br8 s MET 114 N -0.40 1.59 -0.09 2.72 0.00 -0.68 -1.95 119.30 120.49 2br8 s MET 114 Ca 0.04 -0.63 -0.04 0.00 0.00 0.00 0.00 55.69 55.07 2br8 s MET 114 Cb -0.11 -1.47 0.05 0.00 0.00 0.00 0.00 34.83 33.30 2br8 s MET 114 CO 0.01 0.33 0.18 0.12 0.00 0.00 0.00 175.02 175.66 2br8 s PHE 115 N -0.24 -0.23 -0.61 4.11 5.36 -0.52 -1.71 117.98 124.14 2br8 s PHE 115 Ca 0.03 0.68 0.05 0.00 -0.96 0.00 0.00 56.93 56.73 2br8 s PHE 115 Cb -0.09 -0.20 0.20 0.00 -0.34 0.00 0.00 43.02 42.60 2br8 s PHE 115 CO 0.00 -0.28 0.55 -0.89 -1.46 0.00 0.00 175.22 173.14 2br8 n ILE 116 N 5.22 1.17 -2.51 3.12 5.41 -1.26 -0.97 119.36 129.54 2br8 n ILE 116 Ca -0.07 -4.66 -0.41 0.00 1.00 0.00 0.00 62.75 58.61 2br8 n ILE 116 Cb 0.50 -2.06 -0.04 0.00 -0.71 0.00 0.00 39.64 37.33 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 -1.50 4.64 0.11 0.38 0.04 -1.22 -4.82 135.00 132.62 2br8 s PRO 117 Ca 0.32 1.75 -0.19 0.00 0.04 0.00 0.00 61.00 62.92 2br8 s PRO 117 Cb 0.05 -3.23 -0.07 0.00 0.04 0.00 0.00 34.50 31.29 2br8 s PRO 117 CO -0.12 0.17 0.60 0.00 0.04 0.00 0.00 177.00 177.69 2br8 s ALA 118 N -0.77 3.56 0.00 8.56 0.00 -1.26 -1.80 121.76 130.05 2br8 s ALA 118 Ca 0.46 0.04 -0.10 0.00 0.00 0.00 0.00 51.96 52.37 2br8 s ALA 118 Cb -0.30 -2.66 0.01 0.00 0.00 0.00 0.00 23.12 20.16 2br8 s ALA 118 CO 0.38 0.39 0.19 -0.65 0.00 0.00 0.00 175.76 176.07 2br8 s GLN 119 N -1.36 0.56 -0.21 0.00 -0.21 0.23 -0.51 119.66 118.15 2br8 s GLN 119 Ca 0.33 -0.37 -0.04 0.00 0.02 0.00 0.00 55.36 55.30 2br8 s GLN 119 Cb -0.19 0.24 -0.01 0.00 1.00 0.00 0.00 33.01 34.05 2br8 s GLN 119 CO 0.20 -0.14 -0.04 0.50 -2.12 0.00 0.00 175.29 173.68 2br8 s ARG 120 N -1.49 3.41 -0.09 2.91 3.52 -0.52 -1.51 118.95 125.19 2br8 s ARG 120 Ca -0.14 -0.61 0.03 0.00 -0.13 0.00 0.00 55.73 54.87 2br8 s ARG 120 Cb -0.06 -2.99 -0.02 0.00 -1.56 0.00 0.00 34.95 30.32 2br8 s ARG 120 CO 0.02 -0.14 -0.17 -1.17 -0.81 0.00 0.00 175.30 173.03 2br8 s LEU 121 N 1.32 2.53 -0.24 -0.88 2.96 -0.52 -1.92 118.68 121.94 2br8 s LEU 121 Ca 0.04 -0.35 -0.09 0.00 -0.22 0.00 0.00 54.13 53.51 2br8 s LEU 121 Cb -0.14 -1.53 -0.04 0.00 0.50 0.00 0.00 46.19 44.98 2br8 s LEU 121 CO -0.02 0.23 0.11 -0.44 -1.32 0.00 0.00 176.35 174.91 2br8 s SER 122 N -0.05 5.64 0.14 3.68 0.01 -1.26 -0.78 113.70 121.09 2br8 s SER 122 Ca -0.04 -0.03 0.01 0.00 1.31 0.00 0.00 55.95 57.20 2br8 s SER 122 Cb -0.14 -2.01 -0.04 0.00 0.21 0.00 0.00 66.02 64.03 2br8 s SER 122 CO 0.04 0.04 0.02 0.72 0.41 0.00 0.00 173.24 174.47 2br8 s PHE 123 N 1.21 1.01 -0.01 2.43 -0.12 -0.62 -0.14 117.98 121.74 2br8 s PHE 123 Ca 0.06 -1.10 -0.30 0.00 -0.05 0.00 0.00 56.93 55.54 2br8 s PHE 123 Cb -0.14 -0.58 -0.04 0.00 -0.63 0.00 0.00 43.02 41.63 2br8 s PHE 123 CO 0.05 -0.34 1.18 -1.64 -0.05 0.00 0.00 175.22 174.42 2br8 s MET 124 N -3.96 4.40 -0.30 1.99 -1.94 -0.79 -1.33 119.30 117.36 2br8 s MET 124 Ca 0.22 1.68 -0.07 0.00 -1.71 0.00 0.00 55.69 55.82 2br8 s MET 124 Cb 0.07 -3.48 0.16 0.00 2.01 0.00 0.00 34.83 33.59 2br8 s MET 124 CO 0.02 -0.35 0.66 0.00 -0.01 0.00 0.00 175.02 175.34 2br8 s ASP 126 N 2.86 6.71 -0.15 0.00 -1.08 -1.26 -3.51 116.67 120.24 2br8 s ASP 126 Ca 0.06 0.65 0.10 0.00 -0.52 0.00 0.00 52.55 52.84 2br8 s ASP 126 Cb -0.13 -2.55 0.56 0.00 -1.46 0.00 0.00 42.92 39.34 2br8 s ASP 126 CO -0.19 -1.16 1.37 -0.81 0.52 0.00 0.00 175.17 174.90 2br8 n PRO 127 N 7.58 3.55 -2.04 4.34 -0.04 -1.26 -4.86 135.00 142.27 2br8 n PRO 127 Ca 0.12 -2.15 -0.42 0.00 -0.04 0.00 0.00 63.50 61.00 2br8 n PRO 127 Cb 0.48 -1.97 -0.03 0.00 -0.04 0.00 0.00 33.50 31.95 2br8 n PRO 127 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2br8 s THR 128 N -2.12 3.51 0.00 0.52 2.01 -1.26 -1.90 115.64 116.39 2br8 s THR 128 Ca 0.38 0.75 0.00 0.00 0.31 0.00 0.00 61.69 63.13 2br8 s THR 128 Cb 0.28 -3.49 0.00 0.00 0.01 0.00 0.00 72.50 69.30 2br8 s THR 128 CO 0.12 -0.04 0.00 0.61 -0.69 0.00 0.00 174.62 174.62 2br8 n GLY 129 N 4.00 0.73 0.20 4.40 0.00 -1.26 -4.75 105.19 108.50 2br8 n GLY 129 Ca 0.16 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.25 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 0.88 -0.00 1.61 3.04 -1.59 -2.29 116.25 117.88 2br8 h VAL 130 Ca 0.00 -1.27 0.00 0.00 -1.01 0.00 0.00 66.70 64.42 2br8 h VAL 130 Cb 0.00 1.76 0.00 0.00 -2.01 0.00 0.00 31.29 31.04 2br8 h VAL 130 CO 0.00 0.31 -0.15 -0.90 -1.01 0.00 0.00 177.57 175.83 2br8 n ASP 131 N -3.65 0.55 -4.54 3.17 3.85 -1.26 -1.08 116.55 113.59 2br8 n ASP 131 Ca -0.01 -0.57 -0.27 0.00 -0.71 0.00 0.00 54.79 53.23 2br8 n ASP 131 Cb 0.43 -0.04 0.13 0.00 -1.35 0.00 0.00 41.12 40.29 2br8 n ASP 131 CO 0.00 0.00 0.00 -0.94 -1.01 0.00 0.00 177.20 175.25 2br8 s SER 132 N -2.52 3.97 0.26 -1.12 1.04 -0.87 -4.90 113.70 109.56 2br8 s SER 132 Ca 0.27 0.27 0.12 0.00 0.48 0.00 0.00 55.95 57.08 2br8 s SER 132 Cb 0.20 -0.59 0.29 0.00 0.10 0.00 0.00 66.02 66.02 2br8 s SER 132 CO 0.49 -2.17 1.56 -0.08 0.98 0.00 0.00 173.24 174.03 2br8 h GLU 133 N -1.08 0.00 0.00 4.02 4.81 -1.90 -3.01 114.58 117.42 2br8 h GLU 133 Ca -0.43 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 58.80 2br8 h GLU 133 Cb 1.27 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.65 2br8 h GLU 133 CO 0.48 0.64 -0.14 0.93 -0.73 0.00 0.00 179.01 180.18 2br8 h GLU 134 N 0.00 0.00 0.00 1.92 4.39 -1.95 -3.50 114.58 115.44 2br8 h GLU 134 Ca -0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.69 2br8 h GLU 134 Cb 1.21 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.86 2br8 h GLU 134 CO 0.08 0.01 0.00 0.41 -1.16 0.00 0.00 179.01 178.35 2br8 n GLY 135 N 1.11 0.73 3.06 -3.84 0.00 -1.14 -4.84 105.19 100.27 2br8 n GLY 135 Ca 0.03 -0.72 -0.09 0.00 0.00 0.00 0.00 46.02 45.24 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 0.13 -0.13 1.61 0.11 -0.34 -4.43 120.40 117.34 2br8 s VAL 136 Ca 0.00 -1.05 -0.04 0.00 -2.93 0.00 0.00 61.98 57.95 2br8 s VAL 136 Cb 0.00 -0.66 -0.03 0.00 -1.53 0.00 0.00 36.38 34.15 2br8 s VAL 136 CO 0.00 -0.58 0.02 -0.89 -3.33 0.00 0.00 175.10 170.32 2br8 s THR 137 N -2.15 4.42 0.10 5.04 2.01 -1.26 -1.15 115.64 122.65 2br8 s THR 137 Ca -0.09 -0.18 0.05 0.00 0.31 0.00 0.00 61.69 61.77 2br8 s THR 137 Cb -0.04 -2.92 -0.04 0.00 0.01 0.00 0.00 72.50 69.51 2br8 s THR 137 CO -0.03 0.54 -0.12 0.00 -0.69 0.00 0.00 174.62 174.31 2br8 s ALA 139 N -2.10 0.59 -0.05 0.00 0.00 -1.26 -0.53 121.76 118.40 2br8 s ALA 139 Ca 0.05 -0.56 0.01 0.00 0.00 0.00 0.00 51.96 51.46 2br8 s ALA 139 Cb -0.05 -0.04 0.02 0.00 0.00 0.00 0.00 23.12 23.05 2br8 s ALA 139 CO 0.02 0.06 -0.04 0.54 0.00 0.00 0.00 175.76 176.33 2br8 s VAL 140 N -0.82 0.57 -0.04 0.00 0.11 -0.44 -4.94 120.40 114.84 2br8 s VAL 140 Ca -0.04 -0.11 -0.20 0.00 -2.93 0.00 0.00 61.98 58.70 2br8 s VAL 140 Cb -0.07 -0.61 -0.05 0.00 -1.53 0.00 0.00 36.38 34.13 2br8 s VAL 140 CO 0.00 0.25 0.58 -0.54 -3.33 0.00 0.00 175.10 172.06 2br8 s LYS 141 N 1.13 4.33 -0.07 1.54 1.02 -1.26 -0.79 119.74 125.64 2br8 s LYS 141 Ca -0.08 0.68 0.03 0.00 0.02 0.00 0.00 55.97 56.63 2br8 s LYS 141 Cb -0.14 -3.38 -0.02 0.00 -0.52 0.00 0.00 37.83 33.77 2br8 s LYS 141 CO -0.01 0.28 -0.14 -0.06 -0.92 0.00 0.00 175.35 174.50 2br8 s PHE 142 N 0.13 2.73 0.24 3.18 0.08 0.14 -0.99 117.98 123.48 2br8 s PHE 142 Ca 0.31 -0.27 -0.21 0.00 0.12 0.00 0.00 56.93 56.88 2br8 s PHE 142 Cb -0.17 -1.68 0.06 0.00 -0.57 0.00 0.00 43.02 40.66 2br8 s PHE 142 CO 0.16 0.10 0.90 0.20 -0.10 0.00 0.00 175.22 176.48 2br8 s GLY 143 N -0.49 0.03 0.43 4.36 0.00 0.13 -0.83 107.32 110.94 2br8 s GLY 143 Ca 0.06 -0.28 -0.25 0.00 0.00 0.00 0.00 44.72 44.26 2br8 s GLY 143 CO 0.02 0.58 1.28 -0.45 0.00 0.00 0.00 173.10 174.52 2br8 s SER 144 N -3.10 6.21 0.15 1.64 0.15 -1.26 0.68 113.70 118.18 2br8 s SER 144 Ca 0.15 2.59 0.04 0.00 0.70 0.00 0.00 55.95 59.44 2br8 s SER 144 Cb -0.03 -2.63 -0.05 0.00 -1.71 0.00 0.00 66.02 61.59 2br8 s SER 144 CO 0.06 -0.91 1.35 -0.25 1.20 0.00 0.00 173.24 174.69 2br8 h TRP 145 N 2.48 0.18 0.00 3.44 2.91 -1.88 -3.40 115.95 119.68 2br8 h TRP 145 Ca -0.50 -0.11 0.00 0.00 1.13 0.00 0.00 58.89 59.41 2br8 h TRP 145 Cb 1.25 -0.02 0.00 0.00 -0.51 0.00 0.00 29.16 29.88 2br8 h TRP 145 CO 0.53 0.97 -0.18 1.33 -1.03 0.00 0.00 178.44 180.05 2br8 n VAL 146 N -3.57 0.00 -4.41 2.65 0.24 -1.26 -5.05 118.33 106.94 2br8 n VAL 146 Ca -0.03 -0.30 -0.34 0.00 -2.04 0.00 0.00 64.34 61.63 2br8 n VAL 146 Cb 0.85 0.86 -0.12 0.00 -1.47 0.00 0.00 33.84 33.96 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 -0.96 3.04 1.01 6.34 2.02 -1.26 -5.10 117.35 122.43 2br8 s TYR 147 Ca 0.00 -0.19 -0.17 0.00 -0.37 0.00 0.00 57.07 56.35 2br8 s TYR 147 Cb 0.00 -1.92 0.22 0.00 -0.40 0.00 0.00 41.96 39.86 2br8 s TYR 147 CO 0.00 0.08 1.29 -1.54 -1.57 0.00 0.00 175.55 173.81 2br8 s SER 148 N 0.08 2.72 0.00 2.29 1.04 -1.26 -4.65 113.70 113.92 2br8 s SER 148 Ca -0.00 0.32 0.14 0.00 0.48 0.00 0.00 55.95 56.89 2br8 s SER 148 Cb -0.13 -0.38 0.76 0.00 0.10 0.00 0.00 66.02 66.37 2br8 s SER 148 CO 0.03 -2.98 1.35 0.61 0.98 0.00 0.00 173.24 173.23 2br8 n GLY 149 N -3.31 -0.66 0.40 7.32 0.00 0.03 -1.16 105.19 107.81 2br8 n GLY 149 Ca 0.15 -0.07 0.12 0.00 0.00 0.00 0.00 46.02 46.22 2br8 n GLY 149 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2br8 n PHE 150 N -1.20 0.00 -0.00 1.61 3.72 -1.26 -4.36 117.46 115.97 2br8 n PHE 150 Ca 0.08 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.47 2br8 n PHE 150 Cb 0.09 -0.06 -0.00 0.00 -0.94 0.00 0.00 39.48 38.57 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 -0.23 0.01 -4.08 -1.08 1.02 -0.64 -4.22 120.64 111.43 2br8 n GLU 151 Ca 0.12 0.01 -0.34 0.00 -0.02 0.00 0.00 57.16 56.93 2br8 n GLU 151 Cb 0.41 -0.52 -0.15 0.00 -0.02 0.00 0.00 31.44 31.15 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 -2.01 2.48 -0.26 -3.67 1.01 -0.31 -0.79 121.20 117.66 2br8 s ILE 152 Ca -0.01 -0.80 -0.12 0.00 0.00 0.00 0.00 60.65 59.73 2br8 s ILE 152 Cb 0.00 -2.07 -0.05 0.00 0.01 0.00 0.00 42.46 40.35 2br8 s ILE 152 CO 0.01 0.50 0.21 -0.62 0.00 0.00 0.00 174.94 175.05 2br8 s ASP 153 N 1.32 6.10 -0.13 3.58 2.15 0.65 -3.97 116.67 126.38 2br8 s ASP 153 Ca 0.05 0.09 -0.09 0.00 0.43 0.00 0.00 52.55 53.02 2br8 s ASP 153 Cb -0.13 -2.13 -0.05 0.00 -0.30 0.00 0.00 42.92 40.31 2br8 s ASP 153 CO -0.09 -0.03 0.19 -0.22 -0.17 0.00 0.00 175.17 174.85 2br8 s LEU 154 N 1.54 4.34 0.22 -1.34 2.96 -1.26 -1.47 118.68 123.66 2br8 s LEU 154 Ca 0.09 0.48 -0.00 0.00 -0.22 0.00 0.00 54.13 54.48 2br8 s LEU 154 Cb -0.15 -2.18 -0.04 0.00 0.50 0.00 0.00 46.19 44.32 2br8 s LEU 154 CO 0.09 0.31 0.13 -0.54 -1.32 0.00 0.00 176.35 175.01 2br8 s LYS 155 N -0.54 1.26 0.15 1.98 1.02 -0.23 -4.95 119.74 118.44 2br8 s LYS 155 Ca 0.15 -1.67 0.10 0.00 0.02 0.00 0.00 55.97 54.56 2br8 s LYS 155 Cb -0.12 0.16 -0.04 0.00 -0.52 0.00 0.00 37.83 37.30 2br8 s LYS 155 CO 0.04 -0.38 -0.18 0.95 -0.92 0.00 0.00 175.35 174.87 2br8 s THR 156 N -4.06 2.80 0.00 2.17 -4.23 -1.26 -0.14 115.64 110.93 2br8 s THR 156 Ca 0.39 -1.66 0.00 0.00 -1.18 0.00 0.00 61.69 59.24 2br8 s THR 156 Cb 0.07 -2.32 0.00 0.00 1.34 0.00 0.00 72.50 71.59 2br8 s THR 156 CO 0.13 0.01 0.00 0.47 -0.54 0.00 0.00 174.62 174.68 2br8 n ASP 157 N 0.51 0.00 -4.64 3.99 8.00 -1.25 -4.87 116.55 118.29 2br8 n ASP 157 Ca -0.14 0.06 -0.41 0.00 0.71 0.00 0.00 54.79 55.02 2br8 n ASP 157 Cb 0.54 -0.07 -0.06 0.00 -0.02 0.00 0.00 41.12 41.51 2br8 n ASP 157 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2br8 s THR 158 N -0.15 4.96 0.04 -3.53 2.01 -1.26 -4.97 115.64 112.75 2br8 s THR 158 Ca 0.00 1.24 -0.08 0.00 0.31 0.00 0.00 61.69 63.16 2br8 s THR 158 Cb 0.00 -3.98 -0.02 0.00 0.01 0.00 0.00 72.50 68.52 2br8 s THR 158 CO 0.00 0.02 0.48 -0.90 -0.69 0.00 0.00 174.62 173.53 2br8 n ASP 159 N 5.64 -0.27 -4.85 3.53 5.68 -1.26 -4.58 116.55 120.44 2br8 n ASP 159 Ca 0.01 0.54 -0.36 0.00 -0.50 0.00 0.00 54.79 54.47 2br8 n ASP 159 Cb 0.49 -0.10 -0.06 0.00 -1.14 0.00 0.00 41.12 40.31 2br8 n ASP 159 CO 0.00 0.00 0.00 -1.58 -1.33 0.00 0.00 177.20 174.29 2br8 s GLN 160 N -4.63 3.90 0.27 0.11 0.74 -1.26 -4.63 119.66 114.15 2br8 s GLN 160 Ca -0.03 0.37 -0.29 0.00 0.05 0.00 0.00 55.36 55.46 2br8 s GLN 160 Cb 0.03 -3.07 -0.09 0.00 1.10 0.00 0.00 33.01 30.98 2br8 s GLN 160 CO 0.16 0.59 1.23 0.08 -0.55 0.00 0.00 175.29 176.80 2br8 s VAL 161 N -1.29 3.16 -0.56 1.34 1.01 -1.26 -4.98 120.40 117.82 2br8 s VAL 161 Ca 0.31 1.08 -0.28 0.00 0.00 0.00 0.00 61.98 63.09 2br8 s VAL 161 Cb -0.15 -3.69 0.03 0.00 0.00 0.00 0.00 36.38 32.56 2br8 s VAL 161 CO 0.17 0.23 1.24 -0.62 0.00 0.00 0.00 175.10 176.12 2br8 s ASP 162 N -0.33 6.40 0.00 3.32 -1.08 -1.21 -4.84 116.67 118.93 2br8 s ASP 162 Ca 0.50 0.21 0.17 0.00 -0.52 0.00 0.00 52.55 52.91 2br8 s ASP 162 Cb -0.36 -2.55 0.11 0.00 -1.46 0.00 0.00 42.92 38.66 2br8 s ASP 162 CO 0.44 -1.50 1.01 0.18 0.52 0.00 0.00 175.17 175.82 2br8 n LEU 163 N 8.62 2.28 0.30 -1.34 4.77 -1.26 -3.11 117.00 127.27 2br8 n LEU 163 Ca 0.10 -0.95 0.17 0.00 -0.03 0.00 0.00 56.01 55.30 2br8 n LEU 163 Cb 0.49 0.00 0.97 0.00 -2.33 0.00 0.00 43.42 42.55 2br8 n LEU 163 CO 0.71 0.41 1.11 0.77 -1.33 0.00 0.00 177.39 179.06 2br8 h SER 164 N 3.07 0.00 -0.57 -1.43 4.64 -1.89 -1.65 113.55 115.72 2br8 h SER 164 Ca 0.00 0.00 -0.41 0.00 -0.47 0.00 0.00 61.79 60.91 2br8 h SER 164 Cb 0.69 0.00 -0.35 0.00 -0.31 0.00 0.00 62.40 62.43 2br8 h SER 164 CO 0.00 0.02 -0.79 -1.54 -0.87 0.00 0.00 176.83 173.65 2br8 n SER 165 N -3.50 3.95 -4.73 4.97 3.41 -1.26 -5.03 113.62 111.44 2br8 n SER 165 Ca -0.03 -3.58 -0.41 0.00 -0.26 0.00 0.00 58.87 54.59 2br8 n SER 165 Cb 0.12 -0.39 -0.03 0.00 -0.26 0.00 0.00 64.21 63.65 2br8 n SER 165 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 2br8 s TYR 166 N -3.47 3.52 -0.29 7.33 5.04 -0.62 -4.61 117.35 124.25 2br8 s TYR 166 Ca 0.46 1.47 -0.38 0.00 -2.44 0.00 0.00 57.07 56.19 2br8 s TYR 166 Cb 0.39 -3.33 -0.13 0.00 0.35 0.00 0.00 41.96 39.24 2br8 s TYR 166 CO 0.01 -0.87 1.96 0.98 -1.34 0.00 0.00 175.55 176.28 2br8 n TYR 167 N 3.14 1.89 0.23 4.97 9.36 0.18 -4.83 117.16 132.10 2br8 n TYR 167 Ca 0.06 0.36 0.07 0.00 3.32 0.00 0.00 57.90 61.71 2br8 n TYR 167 Cb 0.47 -2.51 0.56 0.00 -0.63 0.00 0.00 39.34 37.22 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 9.60 1.51 -0.29 2.98 0.00 -1.91 -2.96 119.26 128.19 2br8 h ALA 168 Ca -0.38 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.32 2br8 h ALA 168 Cb 1.32 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.05 2br8 h ALA 168 CO 0.99 0.23 0.00 0.43 0.00 0.00 0.00 179.25 180.91 2br8 n SER 169 N -4.05 3.71 -4.64 0.00 7.64 -1.26 -5.03 113.62 109.98 2br8 n SER 169 Ca -0.02 -3.14 -0.39 0.00 1.01 0.00 0.00 58.87 56.33 2br8 n SER 169 Cb 0.26 -0.57 0.03 0.00 -1.01 0.00 0.00 64.21 62.93 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 -0.60 1.33 -0.11 6.43 2.88 -1.12 -4.91 113.62 117.52 2br8 n SER 170 Ca 0.24 0.94 0.21 0.00 -1.33 0.00 0.00 58.87 58.92 2br8 n SER 170 Cb 0.94 -1.41 0.63 0.00 -0.75 0.00 0.00 64.21 63.62 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 1.13 0.15 -5.15 -1.46 1.79 -1.93 -3.42 116.57 107.69 2br8 h LYS 171 Ca -0.47 -0.01 -0.66 0.00 -2.18 0.00 0.00 60.65 57.33 2br8 h LYS 171 Cb 1.34 -0.03 -0.34 0.00 -1.58 0.00 0.00 32.23 31.62 2br8 h LYS 171 CO 0.54 0.10 -0.87 0.71 -1.08 0.00 0.00 179.45 178.86 2br8 s TYR 172 N -5.15 2.56 -0.09 -1.35 2.02 -1.26 -1.26 117.35 112.82 2br8 s TYR 172 Ca -0.06 -1.26 -0.20 0.00 -0.37 0.00 0.00 57.07 55.17 2br8 s TYR 172 Cb 0.21 -1.75 -0.04 0.00 -0.40 0.00 0.00 41.96 39.98 2br8 s TYR 172 CO 0.75 -0.58 0.58 -2.00 -1.57 0.00 0.00 175.55 172.73 2br8 s GLU 173 N 0.80 4.37 -0.21 -0.62 2.12 0.79 -4.76 118.70 121.18 2br8 s GLU 173 Ca -0.08 0.65 -0.25 0.00 0.36 0.00 0.00 54.97 55.65 2br8 s GLU 173 Cb -0.16 -3.43 -0.01 0.00 0.26 0.00 0.00 34.13 30.80 2br8 s GLU 173 CO -0.01 0.14 0.84 0.42 -0.54 0.00 0.00 175.26 176.12 2br8 s ILE 174 N 0.61 4.84 -0.14 -3.70 -1.09 -1.26 -1.05 121.20 119.41 2br8 s ILE 174 Ca 0.31 1.62 -0.07 0.00 -2.23 0.00 0.00 60.65 60.28 2br8 s ILE 174 Cb -0.16 -4.14 -0.25 0.00 -1.58 0.00 0.00 42.46 36.33 2br8 s ILE 174 CO 0.14 -0.04 0.30 0.18 -1.23 0.00 0.00 174.94 174.28 2br8 n LEU 175 N 5.74 2.60 -3.58 2.97 4.77 0.96 -4.98 117.00 125.49 2br8 n LEU 175 Ca 0.06 0.20 -0.11 0.00 -0.03 0.00 0.00 56.01 56.12 2br8 n LEU 175 Cb 0.48 -1.09 -0.04 0.00 -2.33 0.00 0.00 43.42 40.44 2br8 n LEU 175 CO 0.48 0.82 0.22 -0.94 -1.33 0.00 0.00 177.39 176.64 2br8 s SER 176 N -6.99 -0.33 -0.12 -1.43 1.04 -0.61 -4.99 113.70 100.27 2br8 s SER 176 Ca -0.24 -0.21 -0.07 0.00 0.48 0.00 0.00 55.95 55.91 2br8 s SER 176 Cb 0.07 0.50 0.05 0.00 0.10 0.00 0.00 66.02 66.74 2br8 s SER 176 CO 0.74 -0.87 0.29 0.00 0.98 0.00 0.00 173.24 174.38 2br8 s ALA 177 N -3.71 -0.70 0.05 5.32 0.00 -1.26 -0.60 121.76 120.86 2br8 s ALA 177 Ca 0.02 1.09 0.03 0.00 0.00 0.00 0.00 51.96 53.10 2br8 s ALA 177 Cb 0.01 -0.67 -0.03 0.00 0.00 0.00 0.00 23.12 22.43 2br8 s ALA 177 CO -0.12 -0.20 -0.10 -0.08 0.00 0.00 0.00 175.76 175.26 2br8 s THR 178 N 1.08 0.72 -0.21 0.00 -1.32 0.59 -4.41 115.64 112.09 2br8 s THR 178 Ca -0.08 -1.14 -0.02 0.00 -1.21 0.00 0.00 61.69 59.24 2br8 s THR 178 Cb -0.08 -0.75 0.06 0.00 -1.51 0.00 0.00 72.50 70.22 2br8 s THR 178 CO -0.08 -0.33 0.03 0.00 -2.21 0.00 0.00 174.62 172.04 2br8 s GLN 179 N -1.61 0.76 -0.03 7.08 -2.07 -1.25 -0.54 119.66 122.01 2br8 s GLN 179 Ca -0.07 -0.56 0.04 0.00 -1.82 0.00 0.00 55.36 52.94 2br8 s GLN 179 Cb -0.10 -2.14 -0.00 0.00 -1.09 0.00 0.00 33.01 29.68 2br8 s GLN 179 CO 0.01 -0.68 -0.13 0.95 -1.32 0.00 0.00 175.29 174.12 2br8 s THR 180 N 1.78 1.10 0.43 3.63 -4.23 -0.59 -4.92 115.64 112.85 2br8 s THR 180 Ca -0.00 -0.55 -0.24 0.00 -1.18 0.00 0.00 61.69 59.72 2br8 s THR 180 Cb -0.17 -0.95 -0.08 0.00 1.34 0.00 0.00 72.50 72.64 2br8 s THR 180 CO -0.10 0.32 1.17 -0.60 -0.54 0.00 0.00 174.62 174.87 2br8 s ARG 181 N 0.01 3.89 -0.06 3.99 3.52 -1.26 -0.23 118.95 128.81 2br8 s ARG 181 Ca -0.01 1.81 -0.05 0.00 -0.13 0.00 0.00 55.73 57.35 2br8 s ARG 181 Cb -0.09 -2.53 0.02 0.00 -1.56 0.00 0.00 34.95 30.79 2br8 s ARG 181 CO 0.01 -0.45 0.15 -0.65 -0.81 0.00 0.00 175.30 173.54 2br8 s GLN 182 N -2.52 0.17 -0.07 5.12 -0.21 0.95 -4.90 119.66 118.19 2br8 s GLN 182 Ca 0.61 0.23 0.04 0.00 0.02 0.00 0.00 55.36 56.26 2br8 s GLN 182 Cb -0.30 0.05 -0.01 0.00 1.00 0.00 0.00 33.01 33.75 2br8 s GLN 182 CO 0.37 -0.04 -0.21 0.08 -2.12 0.00 0.00 175.29 173.37 2br8 s VAL 183 N 0.21 2.40 0.06 1.09 1.01 -1.26 -1.83 120.40 122.08 2br8 s VAL 183 Ca -0.01 -0.93 0.02 0.00 0.00 0.00 0.00 61.98 61.06 2br8 s VAL 183 Cb -0.02 -1.91 -0.03 0.00 0.00 0.00 0.00 36.38 34.41 2br8 s VAL 183 CO -0.01 0.57 -0.08 0.00 0.00 0.00 0.00 175.10 175.58 2br8 s GLN 184 N -0.14 0.64 -0.09 2.72 -2.07 -0.59 -4.98 119.66 115.16 2br8 s GLN 184 Ca -0.03 -0.94 0.02 0.00 -1.82 0.00 0.00 55.36 52.59 2br8 s GLN 184 Cb -0.14 -0.31 0.01 0.00 -1.09 0.00 0.00 33.01 31.49 2br8 s GLN 184 CO 0.04 0.04 -0.15 -1.01 -1.32 0.00 0.00 175.29 172.89 2br8 s HIS 185 N -2.01 1.85 0.46 9.60 3.76 -1.26 -1.32 115.29 126.37 2br8 s HIS 185 Ca -0.03 -0.79 -0.05 0.00 -0.15 0.00 0.00 55.06 54.04 2br8 s HIS 185 Cb -0.06 -1.33 -0.04 0.00 1.11 0.00 0.00 32.58 32.27 2br8 s HIS 185 CO -0.01 -0.39 0.75 0.71 -0.85 0.00 0.00 174.74 174.95 2br8 s TYR 186 N 0.79 3.55 0.32 1.40 2.02 -1.26 -4.99 117.35 119.18 2br8 s TYR 186 Ca -0.11 0.76 0.00 0.00 -0.37 0.00 0.00 57.07 57.35 2br8 s TYR 186 Cb -0.16 -2.25 0.52 0.00 -0.40 0.00 0.00 41.96 39.68 2br8 s TYR 186 CO 0.02 -0.21 1.94 0.77 -1.57 0.00 0.00 175.55 176.50 2br8 h SER 187 N 0.36 0.78 -0.11 2.29 0.02 -2.01 -2.97 113.55 111.92 2br8 h SER 187 Ca -0.47 -0.06 -0.09 0.00 -0.84 0.00 0.00 61.79 60.32 2br8 h SER 187 Cb 1.21 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 63.53 2br8 h SER 187 CO 0.62 0.64 -0.22 0.00 -1.14 0.00 0.00 176.83 176.73 2br8 h PRO 190 N 6.81 0.00 -6.97 0.00 0.13 -1.90 -3.36 132.00 126.71 2br8 h PRO 190 Ca -0.37 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.27 2br8 h PRO 190 Cb 1.16 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.32 2br8 h PRO 190 CO 0.49 0.54 0.43 -1.83 -0.23 0.00 0.00 178.00 177.40 2br8 s GLU 191 N -3.20 4.09 0.38 0.86 1.03 -1.26 -5.00 118.70 115.60 2br8 s GLU 191 Ca 0.02 1.58 -0.23 0.00 0.03 0.00 0.00 54.97 56.37 2br8 s GLU 191 Cb 0.10 -2.53 -0.10 0.00 -0.80 0.00 0.00 34.13 30.79 2br8 s GLU 191 CO 0.74 -0.22 0.94 -1.25 -1.33 0.00 0.00 175.26 174.13 2br8 s PRO 192 N -2.51 4.36 -0.12 -4.83 0.04 -1.26 -4.71 135.00 125.97 2br8 s PRO 192 Ca 0.59 1.18 0.00 0.00 0.04 0.00 0.00 61.00 62.81 2br8 s PRO 192 Cb -0.24 -2.43 -0.02 0.00 0.04 0.00 0.00 34.50 31.85 2br8 s PRO 192 CO 0.30 0.10 -0.13 0.71 0.04 0.00 0.00 177.00 178.02 2br8 s TYR 193 N -1.95 2.81 -0.05 0.56 1.51 -0.44 -0.79 117.35 119.00 2br8 s TYR 193 Ca 0.57 -0.56 0.04 0.00 -1.01 0.00 0.00 57.07 56.11 2br8 s TYR 193 Cb -0.13 -1.82 -0.00 0.00 -0.11 0.00 0.00 41.96 39.90 2br8 s TYR 193 CO 0.17 -0.15 -0.17 0.42 -1.11 0.00 0.00 175.55 174.72 2br8 s ILE 194 N 0.19 1.46 0.16 2.71 1.01 -1.26 -1.54 121.20 123.93 2br8 s ILE 194 Ca -0.08 -0.72 0.01 0.00 0.00 0.00 0.00 60.65 59.87 2br8 s ILE 194 Cb -0.15 -1.26 -0.04 0.00 0.01 0.00 0.00 42.46 41.02 2br8 s ILE 194 CO 0.05 0.42 0.01 1.51 0.00 0.00 0.00 174.94 176.93 2br8 s ASP 195 N 0.13 0.94 -0.23 3.58 -4.77 -0.76 -4.66 116.67 110.90 2br8 s ASP 195 Ca -0.06 -1.17 -0.06 0.00 -3.30 0.00 0.00 52.55 47.95 2br8 s ASP 195 Cb -0.13 0.17 -0.02 0.00 -1.09 0.00 0.00 42.92 41.85 2br8 s ASP 195 CO 0.03 -0.61 0.03 -0.69 0.70 0.00 0.00 175.17 174.63 2br8 s VAL 196 N -3.77 4.05 -0.39 2.11 1.01 -0.01 -0.03 120.40 123.36 2br8 s VAL 196 Ca 0.23 -0.27 -0.17 0.00 0.00 0.00 0.00 61.98 61.77 2br8 s VAL 196 Cb 0.07 -2.87 0.01 0.00 0.00 0.00 0.00 36.38 33.59 2br8 s VAL 196 CO 0.03 0.38 0.45 0.21 0.00 0.00 0.00 175.10 176.17 2br8 s ASN 197 N 1.39 6.23 -0.60 3.32 2.47 0.68 -0.68 114.94 127.75 2br8 s ASN 197 Ca 0.05 -0.40 -0.18 0.00 0.42 0.00 0.00 52.86 52.75 2br8 s ASN 197 Cb -0.15 -2.23 0.11 0.00 -1.45 0.00 0.00 41.25 37.53 2br8 s ASN 197 CO 0.02 -0.51 0.68 -0.22 -3.72 0.00 0.00 177.10 173.34 2br8 s LEU 198 N 2.22 5.56 -0.32 3.21 2.96 0.03 -1.54 118.68 130.80 2br8 s LEU 198 Ca 0.14 -1.54 -0.10 0.00 -0.22 0.00 0.00 54.13 52.41 2br8 s LEU 198 Cb -0.16 -2.29 -0.01 0.00 0.50 0.00 0.00 46.19 44.23 2br8 s LEU 198 CO 0.13 -1.06 0.17 -0.69 -1.32 0.00 0.00 176.35 173.58 2br8 s VAL 199 N 2.44 4.73 -0.07 1.68 1.01 0.30 -1.32 120.40 129.17 2br8 s VAL 199 Ca 0.11 -0.37 0.04 0.00 0.00 0.00 0.00 61.98 61.75 2br8 s VAL 199 Cb -0.24 -3.41 -0.00 0.00 0.00 0.00 0.00 36.38 32.72 2br8 s VAL 199 CO 0.05 0.06 -0.21 0.54 0.00 0.00 0.00 175.10 175.54 2br8 s VAL 200 N 1.64 1.76 -0.17 2.92 0.11 0.31 -0.30 120.40 126.67 2br8 s VAL 200 Ca 0.05 -0.87 -0.04 0.00 -2.93 0.00 0.00 61.98 58.18 2br8 s VAL 200 Cb -0.17 -1.53 -0.03 0.00 -1.53 0.00 0.00 36.38 33.13 2br8 s VAL 200 CO 0.07 0.50 -0.01 -0.75 -3.33 0.00 0.00 175.10 171.57 2br8 s LYS 201 N 0.23 3.69 0.18 1.54 2.20 0.23 -0.95 119.74 126.87 2br8 s LYS 201 Ca -0.12 -0.50 -0.07 0.00 -0.36 0.00 0.00 55.97 54.92 2br8 s LYS 201 Cb -0.15 -3.00 -0.02 0.00 -1.51 0.00 0.00 37.83 33.15 2br8 s LYS 201 CO 0.06 0.18 0.27 -0.59 -0.36 0.00 0.00 175.35 174.90 2br8 s PHE 202 N 0.55 0.57 0.08 4.03 -0.12 -0.30 -0.03 117.98 122.75 2br8 s PHE 202 Ca -0.02 -0.91 -0.13 0.00 -0.05 0.00 0.00 56.93 55.83 2br8 s PHE 202 Cb -0.14 -0.14 0.02 0.00 -0.63 0.00 0.00 43.02 42.12 2br8 s PHE 202 CO 0.02 -0.73 0.29 -0.98 -0.05 0.00 0.00 175.22 173.77 2br8 s ARG 203 N -4.02 0.88 0.27 1.99 1.70 -0.22 -1.20 118.95 118.36 2br8 s ARG 203 Ca 0.22 -0.69 -0.30 0.00 -0.47 0.00 0.00 55.73 54.49 2br8 s ARG 203 Cb 0.04 0.37 -0.13 0.00 -0.57 0.00 0.00 34.95 34.66 2br8 s ARG 203 CO 0.04 -0.30 1.37 0.39 -1.08 0.00 0.00 175.30 175.72 2br8 n GLU 204 N 0.19 2.08 0.00 3.89 1.02 -0.24 -0.15 120.64 127.44 2br8 n GLU 204 Ca -0.17 0.74 0.14 0.00 -0.02 0.00 0.00 57.16 57.85 2br8 n GLU 204 Cb 0.61 -2.37 0.59 0.00 -0.02 0.00 0.00 31.44 30.25 2br8 n GLU 204 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18