#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2br7 n ALA 2 N 0.00 1.39 0.13 1.69 0.00 -1.26 -2.55 120.51 119.91 2br7 n ALA 2 Ca 0.00 -0.03 -0.23 0.00 0.00 0.00 0.00 53.44 53.18 2br7 n ALA 2 Cb 0.00 -1.11 -0.16 0.00 0.00 0.00 0.00 19.45 18.18 2br7 n ALA 2 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 2br7 h ASN 3 N 0.00 0.75 0.81 0.00 -0.73 -2.00 -2.90 115.58 111.51 2br7 h ASN 3 Ca 0.00 -0.83 -0.16 0.00 1.87 0.00 0.00 56.30 57.17 2br7 h ASN 3 Cb 0.10 -0.24 -0.02 0.00 0.27 0.00 0.00 38.32 38.42 2br7 h ASN 3 CO 0.00 1.66 -0.77 0.25 -0.37 0.00 0.00 177.43 178.20 2br7 h LEU 4 N 0.13 0.00 0.07 0.34 5.85 -1.83 -3.27 115.31 116.59 2br7 h LEU 4 Ca -0.25 0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.50 2br7 h LEU 4 Cb 2.13 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 43.12 2br7 h LEU 4 CO 0.25 0.77 -0.38 -0.03 -0.34 0.00 0.00 178.44 178.71 2br7 h MET 5 N 0.00 -0.55 -0.95 1.25 4.05 -1.56 -2.03 114.93 115.14 2br7 h MET 5 Ca -0.01 0.04 0.05 0.00 -0.28 0.00 0.00 59.70 59.51 2br7 h MET 5 Cb 1.38 0.13 -0.06 0.00 -0.80 0.00 0.00 31.60 32.24 2br7 h MET 5 CO 0.10 -0.37 0.62 -0.09 0.23 0.00 0.00 176.91 177.40 2br7 h ARG 6 N -0.58 1.09 0.54 0.39 2.43 -1.61 -2.71 114.38 113.94 2br7 h ARG 6 Ca 0.04 -0.07 -0.02 0.00 -0.81 0.00 0.00 59.98 59.12 2br7 h ARG 6 Cb 0.63 -0.25 -0.00 0.00 -0.42 0.00 0.00 29.97 29.93 2br7 h ARG 6 CO -0.25 0.72 -0.33 1.25 -1.51 0.00 0.00 179.97 179.85 2br7 h LEU 7 N 1.13 -0.83 -0.34 3.80 5.85 -1.48 -0.57 115.31 122.87 2br7 h LEU 7 Ca 0.40 0.05 0.08 0.00 0.84 0.00 0.00 57.88 59.24 2br7 h LEU 7 Cb 0.12 0.24 -0.08 0.00 0.37 0.00 0.00 40.66 41.32 2br7 h LEU 7 CO -0.14 -0.52 -0.22 0.11 -0.34 0.00 0.00 178.44 177.33 2br7 h LYS 8 N -0.82 -0.17 0.00 1.25 1.57 -1.24 -2.13 116.57 115.03 2br7 h LYS 8 Ca -0.06 0.01 -0.07 0.00 -1.87 0.00 0.00 60.65 58.66 2br7 h LYS 8 Cb 0.67 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.01 2br7 h LYS 8 CO 0.07 -0.11 -0.34 0.66 -0.57 0.00 0.00 179.45 179.16 2br7 h SER 9 N -0.18 0.00 -0.06 0.86 4.64 -1.44 0.53 113.55 117.91 2br7 h SER 9 Ca 0.17 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.37 2br7 h SER 9 Cb 0.44 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.52 2br7 h SER 9 CO -0.44 0.34 -0.35 0.44 -0.87 0.00 0.00 176.83 175.94 2br7 h ASP 10 N 0.00 0.57 0.69 4.97 3.32 -0.69 -1.11 116.42 124.18 2br7 h ASP 10 Ca -0.00 -0.23 -0.26 0.00 0.02 0.00 0.00 57.03 56.55 2br7 h ASP 10 Cb 0.77 -0.16 -0.04 0.00 0.22 0.00 0.00 39.33 40.13 2br7 h ASP 10 CO 0.04 0.88 -1.39 -0.07 -1.72 0.00 0.00 179.24 176.98 2br7 h LEU 11 N 0.47 0.06 -1.15 1.55 3.38 -1.06 -3.32 115.31 115.25 2br7 h LEU 11 Ca 0.05 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2br7 h LEU 11 Cb 0.83 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.56 2br7 h LEU 11 CO 0.07 1.08 -0.07 0.49 0.09 0.00 0.00 178.44 180.09 2br7 n PHE 12 N -3.24 0.00 -0.03 1.13 3.72 0.15 -4.67 117.46 114.52 2br7 n PHE 12 Ca -0.10 0.00 -0.04 0.00 -0.05 0.00 0.00 57.45 57.26 2br7 n PHE 12 Cb 1.00 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.51 2br7 n PHE 12 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 2br7 n ASN 13 N 0.25 3.59 -4.57 4.37 5.03 -0.42 -4.89 115.26 118.63 2br7 n ASN 13 Ca 0.05 -0.02 -0.17 0.00 0.87 0.00 0.00 54.58 55.30 2br7 n ASN 13 Cb 0.23 0.12 -0.08 0.00 -1.02 0.00 0.00 39.78 39.03 2br7 n ASN 13 CO 0.00 0.00 0.00 -0.60 -1.83 0.00 0.00 177.26 174.83 2br7 s ARG 14 N -2.12 1.74 5.98 3.52 6.06 -1.24 -4.77 118.95 128.12 2br7 s ARG 14 Ca -0.07 -0.02 0.00 0.00 -2.50 0.00 0.00 55.73 53.14 2br7 s ARG 14 Cb 0.02 -4.92 0.00 0.00 0.06 0.00 0.00 34.95 30.11 2br7 s ARG 14 CO 0.16 -4.48 0.00 0.43 -2.50 0.00 0.00 175.30 168.91 2br7 n SER 15 N 17.73 0.00 -5.00 -2.12 7.64 -1.26 -4.95 113.62 125.66 2br7 n SER 15 Ca 0.44 0.00 -0.18 0.00 1.01 0.00 0.00 58.87 60.14 2br7 n SER 15 Cb 0.45 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.65 2br7 n SER 15 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 2br7 s PRO 16 N 0.00 2.97 1.45 1.43 0.05 -1.26 -4.93 135.00 134.70 2br7 s PRO 16 Ca 0.00 -1.12 -0.24 0.00 0.05 0.00 0.00 61.00 59.69 2br7 s PRO 16 Cb 0.00 -2.79 0.37 0.00 0.05 0.00 0.00 34.50 32.14 2br7 s PRO 16 CO 0.00 -0.12 0.93 1.41 0.05 0.00 0.00 177.00 179.27 2br7 s MET 17 N -4.27 -3.13 0.12 4.56 1.75 -1.26 -4.97 119.30 112.09 2br7 s MET 17 Ca 0.50 0.04 -0.30 0.00 -1.25 0.00 0.00 55.69 54.68 2br7 s MET 17 Cb -0.10 -1.36 -0.06 0.00 2.84 0.00 0.00 34.83 36.15 2br7 s MET 17 CO 0.32 -4.99 1.01 -0.47 -0.65 0.00 0.00 175.02 170.24 2br7 s TYR 18 N -2.29 3.73 -1.48 4.11 5.04 -1.26 -4.97 117.35 120.23 2br7 s TYR 18 Ca 0.69 1.72 0.30 0.00 -2.44 0.00 0.00 57.07 57.33 2br7 s TYR 18 Cb -0.11 -3.13 1.43 0.00 0.35 0.00 0.00 41.96 40.49 2br7 s TYR 18 CO 0.57 -0.09 1.99 -0.35 -1.34 0.00 0.00 175.55 176.33 2br7 n PRO 19 N 2.84 0.49 0.00 4.97 -0.04 -1.26 -4.77 135.00 137.22 2br7 n PRO 19 Ca 0.03 -0.06 0.00 0.00 -0.04 0.00 0.00 63.50 63.43 2br7 n PRO 19 Cb 0.48 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.45 2br7 n PRO 19 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2br7 n GLY 20 N 1.29 2.36 3.50 0.55 0.00 -1.26 -5.05 105.19 106.58 2br7 n GLY 20 Ca 0.14 -1.86 -0.32 0.00 0.00 0.00 0.00 46.02 43.98 2br7 n GLY 20 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2br7 n PRO 21 N 1.63 -0.39 -3.95 1.61 -0.02 -1.26 -5.06 135.00 127.56 2br7 n PRO 21 Ca 0.00 -0.06 -0.08 0.00 -2.02 0.00 0.00 63.50 61.33 2br7 n PRO 21 Cb 0.00 -2.04 -0.08 0.00 -0.02 0.00 0.00 33.50 31.36 2br7 n PRO 21 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 2br7 s THR 22 N -2.48 0.16 0.47 3.45 -4.23 -0.54 -5.01 115.64 107.47 2br7 s THR 22 Ca 0.60 -1.43 0.35 0.00 -1.18 0.00 0.00 61.69 60.04 2br7 s THR 22 Cb -0.22 -1.46 0.55 0.00 1.34 0.00 0.00 72.50 72.72 2br7 s THR 22 CO 0.64 -0.74 1.62 0.50 -0.54 0.00 0.00 174.62 176.10 2br7 h LYS 23 N 2.88 0.05 0.06 3.99 3.64 -1.93 -2.36 116.57 122.89 2br7 h LYS 23 Ca -0.34 -0.00 -0.23 0.00 -1.27 0.00 0.00 60.65 58.81 2br7 h LYS 23 Cb 1.18 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.97 2br7 h LYS 23 CO 0.59 0.03 -1.19 -0.44 -2.27 0.00 0.00 179.45 176.17 2br7 h ASP 24 N 0.05 0.19 -3.89 4.20 3.32 -1.96 -3.40 116.42 114.94 2br7 h ASP 24 Ca 0.84 -0.76 -0.74 0.00 0.02 0.00 0.00 57.03 56.40 2br7 h ASP 24 Cb 2.86 -0.06 -0.32 0.00 0.22 0.00 0.00 39.33 42.03 2br7 h ASP 24 CO -0.30 1.50 -0.10 -0.62 -1.72 0.00 0.00 179.24 177.99 2br7 s ASP 25 N -6.85 6.02 0.67 6.45 2.15 -0.91 -5.08 116.67 119.11 2br7 s ASP 25 Ca -0.23 -3.01 -0.06 0.00 0.43 0.00 0.00 52.55 49.68 2br7 s ASP 25 Cb 0.04 -2.01 0.05 0.00 -0.30 0.00 0.00 42.92 40.70 2br7 s ASP 25 CO 0.69 -0.40 0.97 -2.16 -0.17 0.00 0.00 175.17 174.11 2br7 s PRO 26 N -0.31 2.35 -0.03 4.34 0.04 -1.09 -1.46 135.00 138.83 2br7 s PRO 26 Ca 0.20 -0.28 0.00 0.00 0.04 0.00 0.00 61.00 60.96 2br7 s PRO 26 Cb -0.14 -2.22 0.03 0.00 0.04 0.00 0.00 34.50 32.21 2br7 s PRO 26 CO -0.07 -1.10 0.01 -1.17 0.04 0.00 0.00 177.00 174.72 2br7 s LEU 27 N -5.15 1.09 -0.03 -3.56 2.96 0.68 -4.95 118.68 109.73 2br7 s LEU 27 Ca 0.59 -0.00 -0.24 0.00 -0.22 0.00 0.00 54.13 54.25 2br7 s LEU 27 Cb -0.11 -0.18 -0.04 0.00 0.50 0.00 0.00 46.19 46.37 2br7 s LEU 27 CO 0.44 -0.12 0.73 -0.89 -1.32 0.00 0.00 176.35 175.20 2br7 s THR 28 N 1.10 4.95 -0.16 3.68 2.01 -1.26 0.67 115.64 126.63 2br7 s THR 28 Ca -0.09 1.53 0.00 0.00 0.31 0.00 0.00 61.69 63.44 2br7 s THR 28 Cb -0.13 -4.07 0.03 0.00 0.01 0.00 0.00 72.50 68.33 2br7 s THR 28 CO -0.02 0.28 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.39 2br7 s VAL 29 N 0.54 1.45 0.10 3.82 1.01 0.16 -4.47 120.40 123.02 2br7 s VAL 29 Ca 0.39 -0.68 -0.25 0.00 0.00 0.00 0.00 61.98 61.44 2br7 s VAL 29 Cb -0.19 -1.45 -0.07 0.00 0.00 0.00 0.00 36.38 34.68 2br7 s VAL 29 CO 0.20 0.33 0.77 -0.89 0.00 0.00 0.00 175.10 175.52 2br7 s THR 30 N 1.52 4.55 -0.04 3.92 2.01 -0.45 -1.70 115.64 125.44 2br7 s THR 30 Ca 0.03 1.67 0.02 0.00 0.31 0.00 0.00 61.69 63.73 2br7 s THR 30 Cb -0.14 -4.13 0.01 0.00 0.01 0.00 0.00 72.50 68.25 2br7 s THR 30 CO -0.09 0.44 -0.10 -0.22 -0.69 0.00 0.00 174.62 173.96 2br7 s LEU 31 N -0.58 1.67 0.00 4.42 2.96 0.21 -1.59 118.68 125.77 2br7 s LEU 31 Ca 0.37 -0.23 -0.03 0.00 -0.22 0.00 0.00 54.13 54.03 2br7 s LEU 31 Cb -0.22 -0.66 -0.01 0.00 0.50 0.00 0.00 46.19 45.81 2br7 s LEU 31 CO 0.25 0.04 0.05 -0.83 -1.32 0.00 0.00 176.35 174.54 2br7 s GLY 32 N 0.46 0.09 -0.12 7.98 0.00 -0.98 -4.32 107.32 110.44 2br7 s GLY 32 Ca -0.09 -0.21 -0.01 0.00 0.00 0.00 0.00 44.72 44.42 2br7 s GLY 32 CO 0.02 -0.29 -0.09 -1.36 0.00 0.00 0.00 173.10 171.38 2br7 s PHE 33 N -0.97 2.89 -0.56 1.90 0.40 -1.26 -0.89 117.98 119.48 2br7 s PHE 33 Ca -0.11 -0.35 -0.09 0.00 -0.60 0.00 0.00 56.93 55.78 2br7 s PHE 33 Cb -0.06 -1.83 0.15 0.00 0.51 0.00 0.00 43.02 41.78 2br7 s PHE 33 CO 0.00 -0.01 0.44 0.99 0.70 0.00 0.00 175.22 177.34 2br7 s THR 34 N 0.02 4.35 -0.04 0.64 2.01 -0.74 -2.03 115.64 119.86 2br7 s THR 34 Ca -0.02 -2.15 -0.30 0.00 0.31 0.00 0.00 61.69 59.53 2br7 s THR 34 Cb -0.14 -3.82 -0.05 0.00 0.01 0.00 0.00 72.50 68.50 2br7 s THR 34 CO 0.03 -0.84 1.47 -0.22 -0.69 0.00 0.00 174.62 174.37 2br7 s LEU 35 N 0.86 4.29 -0.07 4.42 2.96 -1.02 -1.89 118.68 128.24 2br7 s LEU 35 Ca 0.10 2.09 0.10 0.00 -0.22 0.00 0.00 54.13 56.20 2br7 s LEU 35 Cb -0.22 -3.55 -0.14 0.00 0.50 0.00 0.00 46.19 42.78 2br7 s LEU 35 CO -0.03 -0.80 0.11 1.67 -1.32 0.00 0.00 176.35 175.98 2br7 n GLN 36 N 6.17 1.60 -3.65 1.98 7.27 -0.25 -3.99 117.38 126.51 2br7 n GLN 36 Ca 0.15 -0.04 -0.02 0.00 0.07 0.00 0.00 57.00 57.16 2br7 n GLN 36 Cb 0.43 -1.26 -0.07 0.00 2.41 0.00 0.00 30.24 31.76 2br7 n GLN 36 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 2br7 s ASP 37 N -3.86 -0.23 -0.59 1.69 -1.08 -0.64 -2.14 116.67 109.83 2br7 s ASP 37 Ca -0.05 0.39 -0.19 0.00 -0.52 0.00 0.00 52.55 52.19 2br7 s ASP 37 Cb 0.04 0.78 0.10 0.00 -1.46 0.00 0.00 42.92 42.39 2br7 s ASP 37 CO 0.42 -0.06 0.69 -0.63 0.52 0.00 0.00 175.17 176.11 2br7 s ILE 38 N 0.68 4.84 -0.04 4.11 1.01 -1.26 -0.49 121.20 130.05 2br7 s ILE 38 Ca -0.02 -1.01 -0.26 0.00 0.00 0.00 0.00 60.65 59.36 2br7 s ILE 38 Cb -0.04 -4.48 -0.20 0.00 0.01 0.00 0.00 42.46 37.75 2br7 s ILE 38 CO -0.12 -1.11 1.16 0.58 0.00 0.00 0.00 174.94 175.44 2br7 h VAL 39 N 5.92 1.32 -3.94 2.92 2.07 -1.51 -3.41 116.25 119.63 2br7 h VAL 39 Ca -0.29 -1.25 -0.14 0.00 0.82 0.00 0.00 66.70 65.84 2br7 h VAL 39 Cb 1.09 2.14 -0.18 0.00 -1.52 0.00 0.00 31.29 32.82 2br7 h VAL 39 CO 1.10 0.31 -0.61 -0.75 0.02 0.00 0.00 177.57 177.64 2br7 s LYS 40 N -3.94 0.51 -0.05 1.57 2.20 -1.22 -4.93 119.74 113.89 2br7 s LYS 40 Ca -0.16 -0.81 0.04 0.00 -0.36 0.00 0.00 55.97 54.68 2br7 s LYS 40 Cb 0.01 0.19 0.00 0.00 -1.51 0.00 0.00 37.83 36.52 2br7 s LYS 40 CO 0.64 -0.11 -0.15 0.08 -0.36 0.00 0.00 175.35 175.45 2br7 s VAL 41 N -2.55 1.30 -0.27 4.02 1.01 -1.26 -0.78 120.40 121.87 2br7 s VAL 41 Ca -0.06 -0.63 0.02 0.00 0.00 0.00 0.00 61.98 61.31 2br7 s VAL 41 Cb -0.02 -1.14 0.07 0.00 0.00 0.00 0.00 36.38 35.30 2br7 s VAL 41 CO -0.05 0.38 -0.03 -0.62 0.00 0.00 0.00 175.10 174.78 2br7 s ASP 42 N 0.19 4.16 0.00 3.32 -1.08 0.30 -4.98 116.67 118.58 2br7 s ASP 42 Ca -0.06 -1.44 0.29 0.00 -0.52 0.00 0.00 52.55 50.82 2br7 s ASP 42 Cb -0.12 -1.31 1.31 0.00 -1.46 0.00 0.00 42.92 41.34 2br7 s ASP 42 CO 0.02 -0.27 1.90 -1.54 0.52 0.00 0.00 175.17 175.80 2br7 n SER 43 N 4.56 0.63 0.00 -0.34 3.41 -1.26 -0.24 113.62 120.37 2br7 n SER 43 Ca -0.09 -0.88 0.11 0.00 -0.26 0.00 0.00 58.87 57.75 2br7 n SER 43 Cb 0.43 -0.03 -0.10 0.00 -0.26 0.00 0.00 64.21 64.25 2br7 n SER 43 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2br7 n SER 44 N -0.70 0.58 0.00 4.04 3.41 -1.26 -4.41 113.62 115.28 2br7 n SER 44 Ca 0.17 -0.49 0.00 0.00 -0.26 0.00 0.00 58.87 58.30 2br7 n SER 44 Cb 0.26 1.28 0.00 0.00 -0.26 0.00 0.00 64.21 65.49 2br7 n SER 44 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2br7 n THR 45 N -1.85 0.00 -3.64 6.66 -2.24 -1.19 -5.04 114.28 106.98 2br7 n THR 45 Ca 0.01 -0.39 -0.25 0.00 -2.27 0.00 0.00 64.05 61.15 2br7 n THR 45 Cb 0.43 1.09 0.04 0.00 -2.10 0.00 0.00 70.33 69.79 2br7 n THR 45 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2br7 n ASN 46 N -0.46 -3.74 -4.08 3.42 5.03 0.66 -4.91 115.26 111.18 2br7 n ASN 46 Ca 0.00 -0.90 -0.22 0.00 0.87 0.00 0.00 54.58 54.33 2br7 n ASN 46 Cb 0.02 -3.89 -0.15 0.00 -1.02 0.00 0.00 39.78 34.74 2br7 n ASN 46 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 2br7 s GLU 47 N -5.76 1.18 0.07 3.52 2.02 -1.04 -0.75 118.70 117.95 2br7 s GLU 47 Ca 0.28 -0.46 0.06 0.00 0.02 0.00 0.00 54.97 54.87 2br7 s GLU 47 Cb -0.08 -1.11 -0.03 0.00 0.10 0.00 0.00 34.13 33.02 2br7 s GLU 47 CO 0.83 0.24 -0.17 0.08 0.02 0.00 0.00 175.26 176.25 2br7 s VAL 48 N -0.12 1.39 -0.18 2.63 1.01 -0.58 -0.54 120.40 124.00 2br7 s VAL 48 Ca 0.02 -1.29 -0.01 0.00 0.00 0.00 0.00 61.98 60.69 2br7 s VAL 48 Cb -0.07 -1.27 -0.00 0.00 0.00 0.00 0.00 36.38 35.04 2br7 s VAL 48 CO 0.00 -0.05 -0.12 -1.81 0.00 0.00 0.00 175.10 173.13 2br7 s ASP 49 N -1.56 3.87 -0.10 3.32 1.11 0.04 -1.73 116.67 121.62 2br7 s ASP 49 Ca 0.03 -0.45 -0.02 0.00 0.18 0.00 0.00 52.55 52.29 2br7 s ASP 49 Cb -0.09 -1.62 -0.03 0.00 1.07 0.00 0.00 42.92 42.24 2br7 s ASP 49 CO 0.03 0.04 -0.01 -0.76 1.18 0.00 0.00 175.17 175.65 2br7 s LEU 50 N 1.08 3.52 -0.18 1.23 1.43 -0.56 -1.18 118.68 124.02 2br7 s LEU 50 Ca 0.00 0.10 -0.06 0.00 -1.03 0.00 0.00 54.13 53.14 2br7 s LEU 50 Cb -0.15 -1.81 -0.03 0.00 0.03 0.00 0.00 46.19 44.23 2br7 s LEU 50 CO -0.03 0.34 0.03 -0.69 0.23 0.00 0.00 176.35 176.23 2br7 s VAL 51 N -0.66 4.42 0.22 -1.59 1.01 0.36 -0.85 120.40 123.31 2br7 s VAL 51 Ca 0.11 -0.16 -0.20 0.00 0.00 0.00 0.00 61.98 61.72 2br7 s VAL 51 Cb -0.12 -2.98 0.03 0.00 0.00 0.00 0.00 36.38 33.32 2br7 s VAL 51 CO 0.02 0.47 0.61 -0.72 0.00 0.00 0.00 175.10 175.48 2br7 s TYR 52 N 0.44 -0.21 0.24 5.22 -0.85 -0.67 -1.09 117.35 120.43 2br7 s TYR 52 Ca 0.01 -0.15 0.11 0.00 -0.52 0.00 0.00 57.07 56.52 2br7 s TYR 52 Cb -0.13 0.54 -0.05 0.00 0.38 0.00 0.00 41.96 42.70 2br7 s TYR 52 CO 0.01 -1.03 -0.20 1.52 -1.52 0.00 0.00 175.55 174.33 2br7 s TYR 53 N -3.87 2.16 -0.23 -3.49 -0.85 -0.79 -1.08 117.35 109.20 2br7 s TYR 53 Ca 0.09 -0.38 0.02 0.00 -0.52 0.00 0.00 57.07 56.27 2br7 s TYR 53 Cb -0.03 -0.98 0.05 0.00 0.38 0.00 0.00 41.96 41.38 2br7 s TYR 53 CO -0.01 0.59 -0.13 -2.00 -1.52 0.00 0.00 175.55 172.49 2br7 s GLU 54 N -3.31 2.35 -0.22 -3.49 2.12 -0.21 -1.79 118.70 114.15 2br7 s GLU 54 Ca 0.26 -1.13 -0.29 0.00 0.36 0.00 0.00 54.97 54.17 2br7 s GLU 54 Cb -0.05 -2.72 -0.00 0.00 0.26 0.00 0.00 34.13 31.61 2br7 s GLU 54 CO 0.12 -0.46 1.19 -1.14 -0.54 0.00 0.00 175.26 174.42 2br7 s GLN 55 N 1.21 4.17 -0.12 4.30 0.74 -0.07 -3.46 119.66 126.43 2br7 s GLN 55 Ca -0.04 1.44 0.02 0.00 0.05 0.00 0.00 55.36 56.82 2br7 s GLN 55 Cb -0.18 -3.75 0.01 0.00 1.10 0.00 0.00 33.01 30.20 2br7 s GLN 55 CO -0.07 -0.78 -0.17 -0.65 -0.55 0.00 0.00 175.29 173.07 2br7 s GLN 56 N 3.55 2.44 -0.05 1.67 -0.21 -0.20 -2.31 119.66 124.54 2br7 s GLN 56 Ca 0.51 -0.64 0.05 0.00 0.02 0.00 0.00 55.36 55.30 2br7 s GLN 56 Cb -0.18 -2.05 -0.01 0.00 1.00 0.00 0.00 33.01 31.78 2br7 s GLN 56 CO 0.14 -0.06 -0.22 1.03 -2.12 0.00 0.00 175.29 174.06 2br7 s ARG 57 N 0.97 2.29 0.07 2.91 0.52 -0.62 -1.85 118.95 123.23 2br7 s ARG 57 Ca -0.06 -0.80 -0.15 0.00 -0.52 0.00 0.00 55.73 54.20 2br7 s ARG 57 Cb -0.15 -1.95 0.03 0.00 0.52 0.00 0.00 34.95 33.40 2br7 s ARG 57 CO -0.02 0.32 0.35 1.67 0.02 0.00 0.00 175.30 177.64 2br7 s TRP 58 N -0.07 -0.15 -0.18 -0.53 -2.14 -0.96 -1.35 118.94 113.56 2br7 s TRP 58 Ca -0.04 -0.02 -0.01 0.00 2.66 0.00 0.00 56.10 58.69 2br7 s TRP 58 Cb -0.13 0.15 0.00 0.00 -3.10 0.00 0.00 33.47 30.39 2br7 s TRP 58 CO 0.03 -0.57 -0.13 0.21 -2.66 0.00 0.00 176.95 173.83 2br7 s LYS 59 N -2.93 3.23 -0.02 3.25 2.20 -1.26 0.25 119.74 124.45 2br7 s LYS 59 Ca -0.02 -0.72 0.07 0.00 -0.36 0.00 0.00 55.97 54.93 2br7 s LYS 59 Cb 0.00 -2.73 -0.02 0.00 -1.51 0.00 0.00 37.83 33.57 2br7 s LYS 59 CO -0.06 -0.09 -0.23 -0.51 -0.36 0.00 0.00 175.35 174.11 2br7 s LEU 60 N 1.10 2.26 0.36 5.43 1.43 -1.15 -4.95 118.68 123.15 2br7 s LEU 60 Ca 0.00 -0.41 0.17 0.00 -1.03 0.00 0.00 54.13 52.86 2br7 s LEU 60 Cb -0.14 -1.40 0.63 0.00 0.03 0.00 0.00 46.19 45.31 2br7 s LEU 60 CO -0.04 0.32 1.72 0.78 0.23 0.00 0.00 176.35 179.36 2br7 h ASN 61 N 5.34 0.00 1.16 2.29 2.35 -1.88 -3.25 115.58 121.58 2br7 h ASN 61 Ca -0.44 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.31 2br7 h ASN 61 Cb 1.13 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.50 2br7 h ASN 61 CO 0.47 0.42 0.00 0.77 -1.65 0.00 0.00 177.43 177.45 2br7 h SER 62 N 0.00 0.00 -0.68 5.81 4.64 -1.95 -2.99 113.55 118.38 2br7 h SER 62 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2br7 h SER 62 Cb 0.91 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.00 2br7 h SER 62 CO 0.05 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.19 2br7 n LEU 63 N -2.71 3.96 -4.81 5.97 4.77 -1.22 -4.97 117.00 117.99 2br7 n LEU 63 Ca 0.02 -2.07 -0.35 0.00 -0.03 0.00 0.00 56.01 53.58 2br7 n LEU 63 Cb 0.34 -0.48 -0.06 0.00 -2.33 0.00 0.00 43.42 40.89 2br7 n LEU 63 CO 0.26 0.93 0.57 -0.32 -1.33 0.00 0.00 177.39 177.51 2br7 s MET 64 N -1.14 4.33 0.14 3.23 1.75 -1.13 -4.29 119.30 122.20 2br7 s MET 64 Ca 0.46 1.08 -0.19 0.00 -1.25 0.00 0.00 55.69 55.79 2br7 s MET 64 Cb 0.25 -2.60 0.05 0.00 2.84 0.00 0.00 34.83 35.38 2br7 s MET 64 CO 0.30 0.20 0.49 1.67 -0.65 0.00 0.00 175.02 177.03 2br7 s TRP 65 N -1.80 -0.35 -0.31 4.11 -2.14 -0.57 -4.96 118.94 112.93 2br7 s TRP 65 Ca 0.52 0.08 -0.08 0.00 2.66 0.00 0.00 56.10 59.29 2br7 s TRP 65 Cb -0.14 0.39 0.01 0.00 -3.10 0.00 0.00 33.47 30.62 2br7 s TRP 65 CO 0.19 -0.76 0.11 0.34 -2.66 0.00 0.00 176.95 174.17 2br7 s ASP 66 N -2.76 5.30 0.00 -2.66 -1.08 -1.26 -4.66 116.67 109.55 2br7 s ASP 66 Ca 0.02 -0.68 0.00 0.00 -0.52 0.00 0.00 52.55 51.37 2br7 s ASP 66 Cb 0.01 -1.93 0.00 0.00 -1.46 0.00 0.00 42.92 39.54 2br7 s ASP 66 CO -0.12 -0.21 0.06 -2.65 0.52 0.00 0.00 175.17 172.77 2br7 n PRO 67 N 4.91 0.08 -0.08 4.34 -0.02 -1.26 -1.71 135.00 141.26 2br7 n PRO 67 Ca -0.14 0.00 -0.06 0.00 -2.02 0.00 0.00 63.50 61.28 2br7 n PRO 67 Cb 0.48 -1.02 -0.16 0.00 -0.02 0.00 0.00 33.50 32.78 2br7 n PRO 67 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2br7 n ASN 68 N 0.04 0.05 0.13 2.55 3.02 -1.26 0.12 115.26 119.90 2br7 n ASN 68 Ca 0.00 0.03 0.12 0.00 -0.03 0.00 0.00 54.58 54.69 2br7 n ASN 68 Cb 0.01 1.12 0.48 0.00 -0.61 0.00 0.00 39.78 40.79 2br7 n ASN 68 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2br7 n GLU 69 N -2.67 0.20 -2.47 3.52 4.71 -0.70 -4.29 120.64 118.94 2br7 n GLU 69 Ca -0.26 0.40 -0.11 0.00 -0.01 0.00 0.00 57.16 57.18 2br7 n GLU 69 Cb 1.04 -1.86 0.03 0.00 -1.01 0.00 0.00 31.44 29.64 2br7 n GLU 69 CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 2br7 n TYR 70 N -2.24 1.96 -4.10 -0.32 4.01 -1.22 -5.01 117.16 110.25 2br7 n TYR 70 Ca 0.02 -2.24 -0.41 0.00 -0.16 0.00 0.00 57.90 55.12 2br7 n TYR 70 Cb 0.25 -0.28 -0.01 0.00 -0.31 0.00 0.00 39.34 38.99 2br7 n TYR 70 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2br7 n GLY 71 N -0.62 -0.65 2.41 2.72 0.00 -1.17 -2.80 105.19 105.08 2br7 n GLY 71 Ca 0.24 0.30 -0.18 0.00 0.00 0.00 0.00 46.02 46.37 2br7 n GLY 71 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2br7 n ASN 72 N -2.41 -5.08 -4.61 1.61 5.03 0.32 -4.94 115.26 105.18 2br7 n ASN 72 Ca -0.17 0.25 -0.43 0.00 0.87 0.00 0.00 54.58 55.10 2br7 n ASN 72 Cb 0.60 -4.39 -0.03 0.00 -1.02 0.00 0.00 39.78 34.95 2br7 n ASN 72 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 2br7 s ILE 73 N -2.74 4.42 0.17 2.41 1.01 -1.12 -4.92 121.20 120.44 2br7 s ILE 73 Ca 0.00 1.33 -0.07 0.00 0.00 0.00 0.00 60.65 61.91 2br7 s ILE 73 Cb 0.00 -4.46 -0.04 0.00 0.01 0.00 0.00 42.46 37.96 2br7 s ILE 73 CO 0.00 -0.71 1.50 0.71 0.00 0.00 0.00 174.94 176.43 2br7 h THR 74 N 5.96 1.29 -2.75 2.92 1.35 -1.93 -3.42 112.91 116.33 2br7 h THR 74 Ca -0.22 -1.65 -0.10 0.00 -0.55 0.00 0.00 66.41 63.89 2br7 h THR 74 Cb 1.07 1.55 -0.02 0.00 -1.73 0.00 0.00 68.15 69.02 2br7 h THR 74 CO 1.05 0.53 -0.03 -0.90 -0.25 0.00 0.00 175.52 175.92 2br7 n ASP 75 N -4.02 -0.62 -3.66 5.36 5.68 -1.26 -1.72 116.55 116.31 2br7 n ASP 75 Ca -0.03 -1.75 -0.02 0.00 -0.50 0.00 0.00 54.79 52.49 2br7 n ASP 75 Cb 0.57 1.13 -0.01 0.00 -1.14 0.00 0.00 41.12 41.66 2br7 n ASP 75 CO 0.00 0.00 0.00 0.72 -1.33 0.00 0.00 177.20 176.59 2br7 s PHE 76 N -4.51 -0.12 0.03 2.11 -0.71 -0.90 -5.00 117.98 108.87 2br7 s PHE 76 Ca 0.11 -0.07 0.06 0.00 -1.04 0.00 0.00 56.93 55.99 2br7 s PHE 76 Cb -0.01 0.58 -0.03 0.00 -1.21 0.00 0.00 43.02 42.35 2br7 s PHE 76 CO 0.08 -0.52 -0.14 1.03 -1.34 0.00 0.00 175.22 174.33 2br7 s ARG 77 N -2.84 2.26 -0.08 1.99 3.00 -1.26 -0.93 118.95 121.08 2br7 s ARG 77 Ca 0.12 -0.88 -0.22 0.00 0.00 0.00 0.00 55.73 54.74 2br7 s ARG 77 Cb 0.01 -2.31 0.05 0.00 0.00 0.00 0.00 34.95 32.70 2br7 s ARG 77 CO -0.02 0.56 0.52 -0.08 0.00 0.00 0.00 175.30 176.29 2br7 s THR 78 N -0.96 0.02 0.05 0.02 -1.32 -0.64 -4.98 115.64 107.84 2br7 s THR 78 Ca 0.16 -0.15 -0.36 0.00 -1.21 0.00 0.00 61.69 60.12 2br7 s THR 78 Cb -0.11 -0.81 -0.16 0.00 -1.51 0.00 0.00 72.50 69.92 2br7 s THR 78 CO 0.06 -0.08 1.46 -0.24 -2.21 0.00 0.00 174.62 173.61 2br7 n SER 79 N 1.56 2.11 0.00 8.08 2.88 -1.26 -0.36 113.62 126.63 2br7 n SER 79 Ca -0.18 1.10 0.03 0.00 -1.33 0.00 0.00 58.87 58.49 2br7 n SER 79 Cb 0.56 -1.24 0.14 0.00 -0.75 0.00 0.00 64.21 62.92 2br7 n SER 79 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2br7 n ALA 80 N 3.25 1.33 0.70 -1.46 0.00 0.61 -0.08 120.51 124.86 2br7 n ALA 80 Ca 0.19 -0.02 0.12 0.00 0.00 0.00 0.00 53.44 53.73 2br7 n ALA 80 Cb 0.21 -1.10 0.48 0.00 0.00 0.00 0.00 19.45 19.03 2br7 n ALA 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2br7 n ALA 81 N -1.45 2.05 0.16 0.00 0.00 -1.26 -3.46 120.51 116.55 2br7 n ALA 81 Ca 0.02 -0.04 0.09 0.00 0.00 0.00 0.00 53.44 53.51 2br7 n ALA 81 Cb 0.07 -1.40 0.08 0.00 0.00 0.00 0.00 19.45 18.20 2br7 n ALA 81 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2br7 h ASP 82 N 0.00 0.00 -4.52 0.00 3.32 -0.84 -3.47 116.42 110.91 2br7 h ASP 82 Ca 0.00 0.00 -0.29 0.00 0.02 0.00 0.00 57.03 56.76 2br7 h ASP 82 Cb 0.47 0.00 -0.18 0.00 0.22 0.00 0.00 39.33 39.84 2br7 h ASP 82 CO 0.00 0.13 -0.73 0.27 -1.72 0.00 0.00 179.24 177.19 2br7 s ILE 83 N -3.19 0.81 0.22 0.35 -4.36 -1.22 -4.94 121.20 108.86 2br7 s ILE 83 Ca 0.04 -1.56 -0.32 0.00 -0.26 0.00 0.00 60.65 58.55 2br7 s ILE 83 Cb 0.07 -1.24 -0.13 0.00 1.25 0.00 0.00 42.46 42.42 2br7 s ILE 83 CO 0.73 -0.57 1.64 1.87 0.24 0.00 0.00 174.94 178.85 2br7 n TRP 84 N 0.68 2.61 -4.48 1.37 -0.00 -1.26 -4.93 117.44 111.43 2br7 n TRP 84 Ca -0.17 0.16 -0.29 0.00 -0.00 0.00 0.00 57.50 57.20 2br7 n TRP 84 Cb 0.57 -2.61 -0.13 0.00 -0.00 0.00 0.00 31.31 29.14 2br7 n TRP 84 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 177.69 178.64 2br7 s THR 85 N 0.80 2.43 0.74 5.87 -4.23 -1.26 -5.07 115.64 114.92 2br7 s THR 85 Ca 0.73 -1.58 -0.15 0.00 -1.18 0.00 0.00 61.69 59.51 2br7 s THR 85 Cb -0.56 -2.06 0.04 0.00 1.34 0.00 0.00 72.50 71.27 2br7 s THR 85 CO 0.38 0.16 1.21 -2.16 -0.54 0.00 0.00 174.62 173.67 2br7 s PRO 86 N -1.89 2.07 -0.96 3.99 0.04 -1.26 -4.95 135.00 132.05 2br7 s PRO 86 Ca 0.15 1.76 -0.03 0.00 0.04 0.00 0.00 61.00 62.91 2br7 s PRO 86 Cb -0.10 -1.83 0.20 0.00 0.04 0.00 0.00 34.50 32.81 2br7 s PRO 86 CO 0.06 -1.89 2.26 -0.40 0.04 0.00 0.00 177.00 177.08 2br7 n ASP 87 N -2.80 7.41 -4.70 6.66 5.75 -1.26 -4.99 116.55 122.62 2br7 n ASP 87 Ca 0.13 -3.43 -0.42 0.00 -0.01 0.00 0.00 54.79 51.07 2br7 n ASP 87 Cb 0.50 -1.23 -0.03 0.00 -1.03 0.00 0.00 41.12 39.33 2br7 n ASP 87 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 2br7 s ILE 88 N -2.95 3.64 0.00 2.12 -1.09 -1.26 -2.63 121.20 119.02 2br7 s ILE 88 Ca 0.51 1.12 0.00 0.00 -2.23 0.00 0.00 60.65 60.05 2br7 s ILE 88 Cb 0.28 -3.72 -0.00 0.00 -1.58 0.00 0.00 42.46 37.43 2br7 s ILE 88 CO -0.19 0.05 -0.01 -0.89 -1.23 0.00 0.00 174.94 172.67 2br7 s THR 89 N 1.63 0.03 0.14 2.92 2.01 -0.85 -4.88 115.64 116.63 2br7 s THR 89 Ca 0.63 -0.18 -0.30 0.00 0.31 0.00 0.00 61.69 62.15 2br7 s THR 89 Cb -0.33 -0.06 -0.08 0.00 0.01 0.00 0.00 72.50 72.04 2br7 s THR 89 CO 0.28 -0.09 1.28 0.00 -0.69 0.00 0.00 174.62 175.40 2br7 s ALA 90 N -0.28 3.49 -0.96 7.40 0.00 -1.26 -2.33 121.76 127.82 2br7 s ALA 90 Ca -0.03 1.01 0.27 0.00 0.00 0.00 0.00 51.96 53.21 2br7 s ALA 90 Cb -0.02 -3.47 0.84 0.00 0.00 0.00 0.00 23.12 20.46 2br7 s ALA 90 CO -0.00 -0.49 1.66 0.66 0.00 0.00 0.00 175.76 177.58 2br7 n TYR 91 N 3.31 0.10 -2.61 0.00 4.01 -0.16 -3.88 117.16 117.92 2br7 n TYR 91 Ca 0.08 0.03 -0.07 0.00 -0.16 0.00 0.00 57.90 57.78 2br7 n TYR 91 Cb 0.44 -0.43 0.04 0.00 -0.31 0.00 0.00 39.34 39.08 2br7 n TYR 91 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 2br7 n SER 92 N -1.59 2.48 -4.77 7.72 3.41 -1.26 -5.01 113.62 114.59 2br7 n SER 92 Ca 0.06 -2.54 -0.35 0.00 -0.26 0.00 0.00 58.87 55.78 2br7 n SER 92 Cb 0.35 -0.45 0.00 0.00 -0.26 0.00 0.00 64.21 63.86 2br7 n SER 92 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2br7 s SER 93 N -3.71 5.72 0.00 4.04 1.04 -1.25 -2.42 113.70 117.12 2br7 s SER 93 Ca 0.34 2.20 0.21 0.00 0.48 0.00 0.00 55.95 59.17 2br7 s SER 93 Cb 0.35 -2.58 0.06 0.00 0.10 0.00 0.00 66.02 63.94 2br7 s SER 93 CO -0.02 -1.22 1.06 0.35 0.98 0.00 0.00 173.24 174.39 2br7 n THR 94 N -1.26 0.00 -3.72 2.02 -2.24 0.52 -4.85 114.28 104.75 2br7 n THR 94 Ca 0.11 -0.36 -0.14 0.00 -2.27 0.00 0.00 64.05 61.39 2br7 n THR 94 Cb 0.51 1.31 -0.08 0.00 -2.10 0.00 0.00 70.33 69.97 2br7 n THR 94 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2br7 s ARG 95 N -2.09 0.76 0.13 -0.78 0.52 -1.24 -5.05 118.95 111.20 2br7 s ARG 95 Ca 0.20 -0.20 -0.31 0.00 -0.52 0.00 0.00 55.73 54.89 2br7 s ARG 95 Cb 0.17 0.34 -0.10 0.00 0.52 0.00 0.00 34.95 35.88 2br7 s ARG 95 CO 0.42 -0.23 1.78 -2.14 0.02 0.00 0.00 175.30 175.16 2br7 s PRO 96 N -1.62 4.15 0.39 3.54 0.02 -1.26 -4.62 135.00 135.59 2br7 s PRO 96 Ca -0.11 2.55 -0.27 0.00 0.02 0.00 0.00 61.00 63.19 2br7 s PRO 96 Cb -0.03 -3.52 -0.11 0.00 0.02 0.00 0.00 34.50 30.86 2br7 s PRO 96 CO 0.03 -0.81 1.47 1.55 -0.33 0.00 0.00 177.00 178.91 2br7 n VAL 97 N 4.63 2.17 -3.87 3.83 3.14 -1.26 -4.92 118.33 122.04 2br7 n VAL 97 Ca 0.17 -0.50 -0.34 0.00 -2.96 0.00 0.00 64.34 60.71 2br7 n VAL 97 Cb 0.38 -1.93 -0.05 0.00 -1.06 0.00 0.00 33.84 31.19 2br7 n VAL 97 CO 0.00 0.00 0.00 -1.10 -6.46 0.00 0.00 176.83 169.27 2br7 s GLN 98 N -2.17 3.47 -0.21 1.45 -0.21 -0.84 -4.97 119.66 116.18 2br7 s GLN 98 Ca 0.55 -0.26 -0.16 0.00 0.02 0.00 0.00 55.36 55.51 2br7 s GLN 98 Cb -0.47 -3.10 -0.04 0.00 1.00 0.00 0.00 33.01 30.40 2br7 s GLN 98 CO 0.62 0.68 0.41 0.08 -2.12 0.00 0.00 175.29 174.96 2br7 s VAL 99 N -1.30 5.19 -0.07 1.09 1.01 -1.26 -1.62 120.40 123.44 2br7 s VAL 99 Ca 0.26 0.72 0.19 0.00 0.00 0.00 0.00 61.98 63.16 2br7 s VAL 99 Cb -0.13 -3.74 -0.29 0.00 0.00 0.00 0.00 36.38 32.23 2br7 s VAL 99 CO 0.17 0.24 0.44 0.18 0.00 0.00 0.00 175.10 176.13 2br7 n LEU 100 N 4.55 0.05 -4.59 3.92 4.32 -0.17 -4.97 117.00 120.11 2br7 n LEU 100 Ca -0.08 -0.03 -0.23 0.00 -0.02 0.00 0.00 56.01 55.65 2br7 n LEU 100 Cb 0.51 0.00 -0.08 0.00 -1.62 0.00 0.00 43.42 42.23 2br7 n LEU 100 CO 0.40 0.01 -0.38 -0.94 -1.22 0.00 0.00 177.39 175.26 2br7 s SER 101 N -4.12 4.23 0.51 -1.43 1.04 -1.25 -4.93 113.70 107.75 2br7 s SER 101 Ca -0.06 -0.77 -0.22 0.00 0.48 0.00 0.00 55.95 55.38 2br7 s SER 101 Cb 0.12 -0.67 -0.06 0.00 0.10 0.00 0.00 66.02 65.52 2br7 s SER 101 CO 0.79 0.02 1.29 -2.84 0.98 0.00 0.00 173.24 173.48 2br7 s PRO 102 N -3.59 3.38 -1.23 4.02 0.02 -1.26 -4.81 135.00 131.54 2br7 s PRO 102 Ca 0.31 2.07 -0.15 0.00 0.02 0.00 0.00 61.00 63.24 2br7 s PRO 102 Cb -0.06 -2.32 0.13 0.00 0.02 0.00 0.00 34.50 32.27 2br7 s PRO 102 CO 0.18 -0.95 1.53 -0.65 -0.33 0.00 0.00 177.00 176.78 2br7 s GLN 103 N -2.82 4.03 -0.01 5.54 -1.52 -1.26 -4.92 119.66 118.70 2br7 s GLN 103 Ca 0.68 -2.34 0.01 0.00 -1.95 0.00 0.00 55.36 51.77 2br7 s GLN 103 Cb -0.36 -5.22 0.00 0.00 -0.22 0.00 0.00 33.01 27.21 2br7 s GLN 103 CO 0.43 -1.94 -0.04 0.42 -0.25 0.00 0.00 175.29 173.91 2br7 s ILE 104 N 2.56 0.38 -0.01 1.08 1.01 -1.26 -0.28 121.20 124.67 2br7 s ILE 104 Ca 0.46 -0.17 0.05 0.00 0.00 0.00 0.00 60.65 60.99 2br7 s ILE 104 Cb -0.01 -0.35 -0.01 0.00 0.01 0.00 0.00 42.46 42.11 2br7 s ILE 104 CO 0.02 0.12 -0.16 0.00 0.00 0.00 0.00 174.94 174.93 2br7 s ALA 105 N 0.11 1.36 -0.09 9.38 0.00 0.51 -4.51 121.76 128.52 2br7 s ALA 105 Ca -0.01 -0.70 -0.22 0.00 0.00 0.00 0.00 51.96 51.03 2br7 s ALA 105 Cb -0.04 -0.35 -0.04 0.00 0.00 0.00 0.00 23.12 22.69 2br7 s ALA 105 CO -0.00 0.33 0.66 0.54 0.00 0.00 0.00 175.76 177.28 2br7 s VAL 106 N -0.35 5.07 -0.00 0.00 0.11 -0.95 -1.61 120.40 122.66 2br7 s VAL 106 Ca 0.06 1.35 0.06 0.00 -2.93 0.00 0.00 61.98 60.51 2br7 s VAL 106 Cb -0.07 -4.00 -0.03 0.00 -1.53 0.00 0.00 36.38 30.76 2br7 s VAL 106 CO -0.00 0.25 -0.17 -0.69 -3.33 0.00 0.00 175.10 171.15 2br7 s VAL 107 N 0.86 2.81 0.14 2.04 1.01 -0.11 -0.59 120.40 126.57 2br7 s VAL 107 Ca 0.35 -1.00 0.09 0.00 0.00 0.00 0.00 61.98 61.43 2br7 s VAL 107 Cb -0.17 -2.13 -0.04 0.00 0.00 0.00 0.00 36.38 34.04 2br7 s VAL 107 CO 0.16 0.46 -0.17 -0.89 0.00 0.00 0.00 175.10 174.67 2br7 s THR 108 N -0.81 2.87 0.44 3.92 2.01 0.51 -2.12 115.64 122.45 2br7 s THR 108 Ca 0.13 -1.62 0.20 0.00 0.31 0.00 0.00 61.69 60.71 2br7 s THR 108 Cb -0.10 -2.35 0.40 0.00 0.01 0.00 0.00 72.50 70.45 2br7 s THR 108 CO 0.03 0.01 1.87 1.12 -0.69 0.00 0.00 174.62 176.96 2br7 h HIS 109 N 3.43 0.42 0.00 4.92 2.07 -1.63 0.37 115.15 124.73 2br7 h HIS 109 Ca -0.49 0.01 0.00 0.00 -2.85 0.00 0.00 60.37 57.05 2br7 h HIS 109 Cb 1.18 -0.13 0.00 0.00 2.57 0.00 0.00 27.41 31.03 2br7 h HIS 109 CO 0.63 0.11 0.00 -0.40 -3.07 0.00 0.00 177.93 175.20 2br7 n ASP 110 N -4.46 0.00 0.00 3.10 5.75 -1.26 -1.51 116.55 118.17 2br7 n ASP 110 Ca 0.19 -0.81 0.00 0.00 -0.01 0.00 0.00 54.79 54.16 2br7 n ASP 110 Cb 0.74 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.83 2br7 n ASP 110 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2br7 n GLY 111 N 0.09 3.22 3.72 6.12 0.00 0.13 -4.76 105.19 113.70 2br7 n GLY 111 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 2br7 n GLY 111 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2br7 s SER 112 N -1.09 6.97 -0.08 1.61 1.04 -1.20 -2.95 113.70 118.00 2br7 s SER 112 Ca 0.00 2.19 0.03 0.00 0.48 0.00 0.00 55.95 58.65 2br7 s SER 112 Cb 0.00 -2.59 -0.02 0.00 0.10 0.00 0.00 66.02 63.51 2br7 s SER 112 CO 0.00 -0.53 -0.16 -0.69 0.98 0.00 0.00 173.24 172.84 2br7 s VAL 113 N 0.85 2.86 -0.22 5.02 1.01 0.14 -0.37 120.40 129.70 2br7 s VAL 113 Ca 0.60 -0.76 0.02 0.00 0.00 0.00 0.00 61.98 61.83 2br7 s VAL 113 Cb -0.33 -2.14 0.05 0.00 0.00 0.00 0.00 36.38 33.95 2br7 s VAL 113 CO 0.31 0.56 -0.11 -0.32 0.00 0.00 0.00 175.10 175.54 2br7 s MET 114 N -0.17 2.16 -0.09 2.72 1.75 0.25 -2.27 119.30 123.65 2br7 s MET 114 Ca -0.01 -1.02 0.03 0.00 -1.25 0.00 0.00 55.69 53.43 2br7 s MET 114 Cb -0.13 -2.61 -0.01 0.00 2.84 0.00 0.00 34.83 34.91 2br7 s MET 114 CO 0.03 -0.47 -0.18 0.12 -0.65 0.00 0.00 175.02 173.88 2br7 s PHE 115 N 1.29 2.67 -0.44 4.11 5.36 -0.77 -2.24 117.98 127.95 2br7 s PHE 115 Ca -0.04 -0.62 0.03 0.00 -0.96 0.00 0.00 56.93 55.34 2br7 s PHE 115 Cb -0.17 -1.73 0.16 0.00 -0.34 0.00 0.00 43.02 40.94 2br7 s PHE 115 CO -0.07 -0.16 0.31 0.42 -1.46 0.00 0.00 175.22 174.25 2br7 s ILE 116 N 0.01 0.85 0.31 3.12 1.01 -1.26 -1.04 121.20 124.19 2br7 s ILE 116 Ca -0.06 -2.61 -0.28 0.00 0.00 0.00 0.00 60.65 57.70 2br7 s ILE 116 Cb -0.15 -1.59 -0.09 0.00 0.01 0.00 0.00 42.46 40.64 2br7 s ILE 116 CO 0.05 -1.07 1.09 -2.16 0.00 0.00 0.00 174.94 172.84 2br7 s PRO 117 N 0.17 4.53 0.02 2.79 0.04 -1.22 -4.80 135.00 136.52 2br7 s PRO 117 Ca 0.25 1.75 -0.04 0.00 0.04 0.00 0.00 61.00 62.99 2br7 s PRO 117 Cb -0.10 -3.05 -0.04 0.00 0.04 0.00 0.00 34.50 31.35 2br7 s PRO 117 CO -0.10 0.13 0.24 0.00 0.04 0.00 0.00 177.00 177.30 2br7 s ALA 118 N -1.27 3.90 -0.09 8.56 0.00 -1.26 -1.05 121.76 130.56 2br7 s ALA 118 Ca 0.47 -0.67 -0.23 0.00 0.00 0.00 0.00 51.96 51.53 2br7 s ALA 118 Cb -0.30 -1.97 0.05 0.00 0.00 0.00 0.00 23.12 20.90 2br7 s ALA 118 CO 0.38 0.71 0.53 -0.65 0.00 0.00 0.00 175.76 176.73 2br7 s GLN 119 N -1.96 0.81 -0.12 0.00 -0.21 -0.24 -1.00 119.66 116.94 2br7 s GLN 119 Ca 0.29 0.31 -0.01 0.00 0.02 0.00 0.00 55.36 55.96 2br7 s GLN 119 Cb -0.13 0.38 -0.02 0.00 1.00 0.00 0.00 33.01 34.24 2br7 s GLN 119 CO 0.19 -0.20 -0.08 0.50 -2.12 0.00 0.00 175.29 173.57 2br7 s ARG 120 N -0.73 3.34 -0.06 2.91 3.52 -0.64 -1.66 118.95 125.63 2br7 s ARG 120 Ca -0.08 -0.59 0.03 0.00 -0.13 0.00 0.00 55.73 54.96 2br7 s ARG 120 Cb -0.03 -2.73 0.01 0.00 -1.56 0.00 0.00 34.95 30.64 2br7 s ARG 120 CO 0.05 0.33 -0.14 -1.17 -0.81 0.00 0.00 175.30 173.57 2br7 s LEU 121 N 0.07 1.74 -0.24 -0.88 2.96 -0.03 -1.99 118.68 120.31 2br7 s LEU 121 Ca -0.03 -0.32 -0.09 0.00 -0.22 0.00 0.00 54.13 53.47 2br7 s LEU 121 Cb -0.14 -0.87 -0.04 0.00 0.50 0.00 0.00 46.19 45.63 2br7 s LEU 121 CO 0.03 0.07 0.13 -0.44 -1.32 0.00 0.00 176.35 174.82 2br7 s SER 122 N 0.49 5.80 0.18 3.68 0.01 -1.26 -1.50 113.70 121.10 2br7 s SER 122 Ca -0.12 0.02 0.03 0.00 1.31 0.00 0.00 55.95 57.19 2br7 s SER 122 Cb -0.15 -2.04 -0.05 0.00 0.21 0.00 0.00 66.02 63.99 2br7 s SER 122 CO 0.04 0.04 -0.04 0.72 0.41 0.00 0.00 173.24 174.41 2br7 s PHE 123 N 1.17 1.36 0.02 2.43 -0.71 -0.71 -0.35 117.98 121.19 2br7 s PHE 123 Ca 0.06 -0.88 -0.30 0.00 -1.04 0.00 0.00 56.93 54.77 2br7 s PHE 123 Cb -0.14 -0.75 -0.04 0.00 -1.21 0.00 0.00 43.02 40.88 2br7 s PHE 123 CO 0.05 -0.03 1.11 -1.64 -1.34 0.00 0.00 175.22 173.37 2br7 s MET 124 N -3.83 4.47 -0.30 1.99 -1.94 -1.02 -1.53 119.30 117.15 2br7 s MET 124 Ca 0.22 1.61 -0.17 0.00 -1.71 0.00 0.00 55.69 55.64 2br7 s MET 124 Cb 0.04 -3.42 0.18 0.00 2.01 0.00 0.00 34.83 33.65 2br7 s MET 124 CO 0.04 -0.20 1.16 0.00 -0.01 0.00 0.00 175.02 176.01 2br7 s ASP 126 N 1.98 6.69 -0.02 0.00 -1.08 -1.26 -3.18 116.67 119.80 2br7 s ASP 126 Ca -0.03 0.66 0.08 0.00 -0.52 0.00 0.00 52.55 52.74 2br7 s ASP 126 Cb -0.03 -2.44 0.25 0.00 -1.46 0.00 0.00 42.92 39.24 2br7 s ASP 126 CO -0.16 -0.73 1.15 -0.81 0.52 0.00 0.00 175.17 175.15 2br7 n PRO 127 N 6.47 1.77 -1.87 4.34 -0.04 -1.26 -4.80 135.00 139.61 2br7 n PRO 127 Ca 0.06 -1.00 -0.42 0.00 -0.04 0.00 0.00 63.50 62.09 2br7 n PRO 127 Cb 0.48 -1.32 -0.03 0.00 -0.04 0.00 0.00 33.50 32.59 2br7 n PRO 127 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2br7 s THR 128 N -1.64 3.33 0.00 0.52 2.01 -1.26 -1.84 115.64 116.77 2br7 s THR 128 Ca 0.18 0.42 0.00 0.00 0.31 0.00 0.00 61.69 62.61 2br7 s THR 128 Cb 0.10 -3.27 0.00 0.00 0.01 0.00 0.00 72.50 69.34 2br7 s THR 128 CO 0.11 -0.04 0.00 0.61 -0.69 0.00 0.00 174.62 174.61 2br7 n GLY 129 N 4.29 0.95 0.31 4.40 0.00 -1.26 -4.85 105.19 109.02 2br7 n GLY 129 Ca 0.18 -0.02 0.18 0.00 0.00 0.00 0.00 46.02 46.37 2br7 n GLY 129 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2br7 h VAL 130 N 0.00 0.28 -0.01 1.61 3.04 -1.60 -2.13 116.25 117.45 2br7 h VAL 130 Ca 0.00 -0.11 0.00 0.00 -1.01 0.00 0.00 66.70 65.58 2br7 h VAL 130 Cb 0.00 1.08 0.00 0.00 -2.01 0.00 0.00 31.29 30.36 2br7 h VAL 130 CO 0.00 0.02 -0.44 -0.90 -1.01 0.00 0.00 177.57 175.23 2br7 n ASP 131 N -3.46 0.95 -4.89 3.17 5.75 -1.26 -1.69 116.55 115.12 2br7 n ASP 131 Ca -0.03 -0.74 -0.29 0.00 -0.01 0.00 0.00 54.79 53.72 2br7 n ASP 131 Cb 0.11 0.30 0.05 0.00 -1.03 0.00 0.00 41.12 40.55 2br7 n ASP 131 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 2br7 s SER 132 N -2.73 5.42 0.28 -1.12 1.04 -0.80 -4.96 113.70 110.84 2br7 s SER 132 Ca 0.17 1.05 0.00 0.00 0.48 0.00 0.00 55.95 57.65 2br7 s SER 132 Cb 0.18 -1.86 0.41 0.00 0.10 0.00 0.00 66.02 64.86 2br7 s SER 132 CO 0.63 -1.33 1.79 -0.08 0.98 0.00 0.00 173.24 175.22 2br7 h GLU 133 N -0.60 0.69 -0.56 4.02 4.81 -1.91 -2.60 114.58 118.42 2br7 h GLU 133 Ca -0.45 -0.18 -0.01 0.00 -0.13 0.00 0.00 59.36 58.59 2br7 h GLU 133 Cb 1.26 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 30.53 2br7 h GLU 133 CO 0.63 0.72 0.33 0.93 -0.73 0.00 0.00 179.01 180.89 2br7 h GLU 134 N 0.64 0.76 0.00 1.92 4.39 -1.94 -3.49 114.58 116.87 2br7 h GLU 134 Ca 0.13 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.76 2br7 h GLU 134 Cb 0.44 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 28.93 2br7 h GLU 134 CO 0.02 0.55 0.00 0.41 -1.16 0.00 0.00 179.01 178.83 2br7 n GLY 135 N -1.32 -0.90 3.10 -3.84 0.00 -0.98 -4.95 105.19 96.29 2br7 n GLY 135 Ca 0.05 -1.19 -0.08 0.00 0.00 0.00 0.00 46.02 44.80 2br7 n GLY 135 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2br7 s VAL 136 N 0.00 0.19 -0.02 1.61 0.11 -0.74 -4.55 120.40 117.00 2br7 s VAL 136 Ca 0.00 -1.54 0.05 0.00 -2.93 0.00 0.00 61.98 57.57 2br7 s VAL 136 Cb 0.00 -1.28 -0.01 0.00 -1.53 0.00 0.00 36.38 33.56 2br7 s VAL 136 CO 0.00 -0.85 -0.18 -0.89 -3.33 0.00 0.00 175.10 169.85 2br7 s THR 137 N -3.47 1.43 0.03 5.04 2.01 -1.26 -2.00 115.64 117.42 2br7 s THR 137 Ca 0.03 -0.76 -0.00 0.00 0.31 0.00 0.00 61.69 61.26 2br7 s THR 137 Cb 0.04 -1.20 -0.02 0.00 0.01 0.00 0.00 72.50 71.33 2br7 s THR 137 CO -0.08 0.41 -0.03 0.00 -0.69 0.00 0.00 174.62 174.22 2br7 s ALA 139 N -1.88 0.45 -0.03 0.00 0.00 -1.26 -1.16 121.76 117.88 2br7 s ALA 139 Ca -0.12 -0.65 -0.06 0.00 0.00 0.00 0.00 51.96 51.13 2br7 s ALA 139 Cb -0.07 0.05 0.01 0.00 0.00 0.00 0.00 23.12 23.11 2br7 s ALA 139 CO -0.03 -0.04 0.15 0.54 0.00 0.00 0.00 175.76 176.38 2br7 s VAL 140 N -1.23 0.04 -0.15 0.00 0.11 0.08 -4.92 120.40 114.32 2br7 s VAL 140 Ca -0.10 -0.32 -0.01 0.00 -2.93 0.00 0.00 61.98 58.62 2br7 s VAL 140 Cb -0.09 -0.32 -0.02 0.00 -1.53 0.00 0.00 36.38 34.43 2br7 s VAL 140 CO 0.00 -0.17 -0.10 -0.54 -3.33 0.00 0.00 175.10 170.96 2br7 s LYS 141 N -0.58 3.44 0.04 1.54 1.02 -1.26 0.23 119.74 124.17 2br7 s LYS 141 Ca -0.07 -0.64 0.03 0.00 0.02 0.00 0.00 55.97 55.31 2br7 s LYS 141 Cb -0.04 -2.74 -0.04 0.00 -0.52 0.00 0.00 37.83 34.49 2br7 s LYS 141 CO 0.01 0.17 0.01 -0.06 -0.92 0.00 0.00 175.35 174.55 2br7 s PHE 142 N 0.50 3.05 0.00 3.18 0.40 0.12 -0.98 117.98 124.25 2br7 s PHE 142 Ca -0.07 0.04 0.00 0.00 -0.60 0.00 0.00 56.93 56.30 2br7 s PHE 142 Cb -0.15 -1.62 0.00 0.00 0.51 0.00 0.00 43.02 41.76 2br7 s PHE 142 CO 0.04 0.47 0.00 0.41 0.70 0.00 0.00 175.22 176.84 2br7 n GLY 143 N 1.01 1.71 3.67 4.36 0.00 -0.98 0.19 105.19 115.14 2br7 n GLY 143 Ca -0.13 -0.73 -0.40 0.00 0.00 0.00 0.00 46.02 44.76 2br7 n GLY 143 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2br7 n SER 144 N 0.00 1.93 0.04 1.61 2.88 -1.26 -2.01 113.62 116.81 2br7 n SER 144 Ca 0.00 1.03 -0.03 0.00 -1.33 0.00 0.00 58.87 58.54 2br7 n SER 144 Cb 0.00 -1.45 -0.09 0.00 -0.75 0.00 0.00 64.21 61.92 2br7 n SER 144 CO 0.00 0.00 0.00 -0.25 -1.23 0.00 0.00 175.04 173.56 2br7 h TRP 145 N 1.62 0.00 0.00 0.66 2.91 -1.86 -3.41 115.95 115.87 2br7 h TRP 145 Ca -0.47 0.00 0.00 0.00 1.13 0.00 0.00 58.89 59.55 2br7 h TRP 145 Cb 1.32 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.97 2br7 h TRP 145 CO 0.45 0.75 -0.42 1.33 -1.03 0.00 0.00 178.44 179.51 2br7 n VAL 146 N -3.05 0.00 -3.11 2.65 0.24 -1.26 -5.02 118.33 108.78 2br7 n VAL 146 Ca -0.09 -0.12 -0.39 0.00 -2.04 0.00 0.00 64.34 61.70 2br7 n VAL 146 Cb 0.90 0.57 -0.05 0.00 -1.47 0.00 0.00 33.84 33.78 2br7 n VAL 146 CO 0.00 0.00 0.00 -0.31 -2.14 0.00 0.00 176.83 174.38 2br7 s TYR 147 N -1.08 3.50 0.91 6.34 2.02 -1.26 -5.07 117.35 122.72 2br7 s TYR 147 Ca 0.00 1.09 -0.12 0.00 -0.37 0.00 0.00 57.07 57.67 2br7 s TYR 147 Cb 0.00 -2.76 0.14 0.00 -0.40 0.00 0.00 41.96 38.94 2br7 s TYR 147 CO 0.00 0.02 1.11 -1.54 -1.57 0.00 0.00 175.55 173.58 2br7 s SER 148 N 0.88 3.48 0.58 2.29 1.04 -1.26 -4.67 113.70 116.04 2br7 s SER 148 Ca 0.33 1.13 0.29 0.00 0.48 0.00 0.00 55.95 58.17 2br7 s SER 148 Cb -0.17 -1.76 1.49 0.00 0.10 0.00 0.00 66.02 65.68 2br7 s SER 148 CO 0.14 -2.59 1.92 1.23 0.98 0.00 0.00 173.24 174.92 2br7 h GLY 149 N -1.52 0.00 2.00 7.32 0.00 -0.05 0.14 103.07 110.96 2br7 h GLY 149 Ca -0.51 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 46.74 2br7 h GLY 149 CO 0.60 0.00 -0.40 0.74 0.00 0.00 0.00 176.54 177.48 2br7 h PHE 150 N 0.00 0.00 0.00 5.60 0.04 -1.91 -3.36 116.94 117.31 2br7 h PHE 150 Ca 0.22 0.00 -0.42 0.00 2.80 0.00 0.00 57.97 60.57 2br7 h PHE 150 Cb 1.14 0.00 -0.07 0.00 2.20 0.00 0.00 35.95 39.22 2br7 h PHE 150 CO 0.00 0.40 -2.45 0.39 -0.60 0.00 0.00 178.31 176.06 2br7 n GLU 151 N -3.67 0.62 -4.66 1.51 4.71 0.31 -4.47 120.64 115.00 2br7 n GLU 151 Ca -0.01 0.23 -0.33 0.00 -0.01 0.00 0.00 57.16 57.05 2br7 n GLU 151 Cb 0.50 -1.52 -0.16 0.00 -1.01 0.00 0.00 31.44 29.24 2br7 n GLU 151 CO 0.00 0.00 0.00 0.42 0.09 0.00 0.00 177.13 177.64 2br7 s ILE 152 N -2.51 2.15 -0.14 -3.67 1.01 -0.11 -0.23 121.20 117.70 2br7 s ILE 152 Ca -0.36 -0.95 -0.05 0.00 0.00 0.00 0.00 60.65 59.29 2br7 s ILE 152 Cb 0.12 -1.87 -0.04 0.00 0.01 0.00 0.00 42.46 40.69 2br7 s ILE 152 CO 0.55 0.54 0.03 -0.62 0.00 0.00 0.00 174.94 175.44 2br7 s ASP 153 N 0.81 5.39 -0.12 3.58 2.15 0.21 -3.94 116.67 124.75 2br7 s ASP 153 Ca -0.07 0.08 -0.04 0.00 0.43 0.00 0.00 52.55 52.95 2br7 s ASP 153 Cb -0.16 -1.79 -0.03 0.00 -0.30 0.00 0.00 42.92 40.64 2br7 s ASP 153 CO -0.02 0.25 0.02 -0.22 -0.17 0.00 0.00 175.17 175.03 2br7 s LEU 154 N -0.09 3.63 0.08 -1.34 2.96 -1.26 0.37 118.68 123.03 2br7 s LEU 154 Ca 0.05 0.11 0.06 0.00 -0.22 0.00 0.00 54.13 54.13 2br7 s LEU 154 Cb -0.12 -1.86 -0.03 0.00 0.50 0.00 0.00 46.19 44.67 2br7 s LEU 154 CO 0.02 0.30 -0.15 -0.54 -1.32 0.00 0.00 176.35 174.66 2br7 s LYS 155 N -0.43 0.90 0.23 1.98 1.02 -0.69 -4.93 119.74 117.82 2br7 s LYS 155 Ca 0.08 -1.03 0.11 0.00 0.02 0.00 0.00 55.97 55.15 2br7 s LYS 155 Cb -0.12 -0.94 -0.05 0.00 -0.52 0.00 0.00 37.83 36.20 2br7 s LYS 155 CO 0.02 0.21 -0.19 0.95 -0.92 0.00 0.00 175.35 175.41 2br7 s THR 156 N -1.38 2.57 -0.20 2.17 -4.23 -1.26 0.66 115.64 113.97 2br7 s THR 156 Ca 0.01 -2.11 -0.16 0.00 -1.18 0.00 0.00 61.69 58.26 2br7 s THR 156 Cb -0.09 -2.29 -0.19 0.00 1.34 0.00 0.00 72.50 71.27 2br7 s THR 156 CO 0.03 -0.23 0.12 0.47 -0.54 0.00 0.00 174.62 174.47 2br7 n ASP 157 N -0.14 1.94 -4.73 3.99 8.00 -1.26 -4.97 116.55 119.38 2br7 n ASP 157 Ca -0.09 0.33 -0.26 0.00 0.71 0.00 0.00 54.79 55.47 2br7 n ASP 157 Cb 0.57 -0.89 -0.08 0.00 -0.02 0.00 0.00 41.12 40.71 2br7 n ASP 157 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 2br7 s THR 158 N -2.44 2.11 -0.98 -3.53 -1.32 -1.26 -5.04 115.64 103.18 2br7 s THR 158 Ca -0.30 -1.76 0.14 0.00 -1.21 0.00 0.00 61.69 58.56 2br7 s THR 158 Cb 0.08 -2.87 -0.07 0.00 -1.51 0.00 0.00 72.50 68.13 2br7 s THR 158 CO 0.61 0.00 0.68 -0.90 -2.21 0.00 0.00 174.62 172.80 2br7 n ASP 159 N -1.23 1.08 -4.69 8.08 5.68 -1.26 -4.84 116.55 119.37 2br7 n ASP 159 Ca -0.03 -1.04 -0.40 0.00 -0.50 0.00 0.00 54.79 52.82 2br7 n ASP 159 Cb 0.65 0.72 -0.05 0.00 -1.14 0.00 0.00 41.12 41.29 2br7 n ASP 159 CO 0.00 0.00 0.00 -1.10 -1.33 0.00 0.00 177.20 174.77 2br7 s GLN 160 N -1.97 4.31 0.54 0.11 -1.52 -1.26 0.10 119.66 119.97 2br7 s GLN 160 Ca 0.09 0.69 -0.20 0.00 -1.95 0.00 0.00 55.36 53.98 2br7 s GLN 160 Cb 0.11 -3.51 -0.05 0.00 -0.22 0.00 0.00 33.01 29.33 2br7 s GLN 160 CO 0.44 -0.08 1.21 0.08 -0.25 0.00 0.00 175.29 176.69 2br7 s VAL 161 N 1.35 2.77 -0.19 1.09 1.01 -0.90 -4.82 120.40 120.72 2br7 s VAL 161 Ca 0.31 0.52 -0.29 0.00 0.00 0.00 0.00 61.98 62.52 2br7 s VAL 161 Cb -0.16 -3.23 -0.02 0.00 0.00 0.00 0.00 36.38 32.96 2br7 s VAL 161 CO 0.13 -0.06 1.44 -0.62 0.00 0.00 0.00 175.10 175.98 2br7 s ASP 162 N -1.47 6.67 -0.13 3.32 2.15 -0.86 -4.85 116.67 121.51 2br7 s ASP 162 Ca 0.72 1.66 0.15 0.00 0.43 0.00 0.00 52.55 55.51 2br7 s ASP 162 Cb -0.30 -2.54 0.45 0.00 -0.30 0.00 0.00 42.92 40.23 2br7 s ASP 162 CO 0.35 -1.01 1.35 0.18 -0.17 0.00 0.00 175.17 175.87 2br7 n LEU 163 N 7.46 3.50 0.13 -1.34 4.77 -1.26 -2.43 117.00 127.83 2br7 n LEU 163 Ca 0.16 -2.78 0.12 0.00 -0.03 0.00 0.00 56.01 53.48 2br7 n LEU 163 Cb 0.45 -0.45 0.10 0.00 -2.33 0.00 0.00 43.42 41.19 2br7 n LEU 163 CO 0.61 0.68 0.37 0.77 -1.33 0.00 0.00 177.39 178.50 2br7 h SER 164 N 1.64 0.00 -0.13 -1.43 4.64 -1.91 -2.84 113.55 113.53 2br7 h SER 164 Ca 0.00 -0.03 -0.06 0.00 -0.47 0.00 0.00 61.79 61.23 2br7 h SER 164 Cb 1.23 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.29 2br7 h SER 164 CO 0.15 0.02 -0.25 -1.54 -0.87 0.00 0.00 176.83 174.34 2br7 n SER 165 N -2.70 2.21 -4.74 4.97 3.41 -1.26 -5.02 113.62 110.49 2br7 n SER 165 Ca 0.02 -3.67 -0.41 0.00 -0.26 0.00 0.00 58.87 54.56 2br7 n SER 165 Cb 0.52 -0.55 -0.03 0.00 -0.26 0.00 0.00 64.21 63.89 2br7 n SER 165 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 2br7 s TYR 166 N -3.15 3.40 -0.12 7.33 5.04 -1.07 -4.70 117.35 124.08 2br7 s TYR 166 Ca 0.39 1.44 -0.29 0.00 -2.44 0.00 0.00 57.07 56.17 2br7 s TYR 166 Cb 0.36 -3.45 -0.03 0.00 0.35 0.00 0.00 41.96 39.20 2br7 s TYR 166 CO -0.02 -1.23 1.37 -0.47 -1.34 0.00 0.00 175.55 173.85 2br7 s TYR 167 N -0.27 2.65 0.23 4.97 5.04 -0.91 -4.92 117.35 124.14 2br7 s TYR 167 Ca 0.52 0.80 -0.07 0.00 -2.44 0.00 0.00 57.07 55.88 2br7 s TYR 167 Cb -0.33 -3.61 0.38 0.00 0.35 0.00 0.00 41.96 38.74 2br7 s TYR 167 CO 0.39 -2.27 1.70 0.00 -1.34 0.00 0.00 175.55 174.03 2br7 h ALA 168 N 8.47 0.86 -0.85 3.97 0.00 -1.93 -1.70 119.26 128.08 2br7 h ALA 168 Ca -0.31 0.14 -0.42 0.00 0.00 0.00 0.00 54.91 54.32 2br7 h ALA 168 Cb 1.13 0.17 -0.25 0.00 0.00 0.00 0.00 17.79 18.84 2br7 h ALA 168 CO 0.96 -0.29 0.54 0.43 0.00 0.00 0.00 179.25 180.88 2br7 n SER 169 N -5.11 3.77 -4.75 0.00 7.64 -1.26 -4.98 113.62 108.93 2br7 n SER 169 Ca 0.12 -3.37 -0.37 0.00 1.01 0.00 0.00 58.87 56.25 2br7 n SER 169 Cb 0.38 -0.79 0.03 0.00 -1.01 0.00 0.00 64.21 62.83 2br7 n SER 169 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2br7 s SER 170 N -1.00 5.31 0.48 6.43 0.15 -0.64 -4.89 113.70 119.54 2br7 s SER 170 Ca 0.50 2.57 0.23 0.00 0.70 0.00 0.00 55.95 59.94 2br7 s SER 170 Cb 0.42 -2.62 1.25 0.00 -1.71 0.00 0.00 66.02 63.37 2br7 s SER 170 CO 0.10 -1.52 1.91 0.11 1.20 0.00 0.00 173.24 175.04 2br7 h LYS 171 N 1.29 0.20 -5.31 5.44 1.79 -1.91 -3.42 116.57 114.65 2br7 h LYS 171 Ca -0.51 -0.01 -0.67 0.00 -2.18 0.00 0.00 60.65 57.28 2br7 h LYS 171 Cb 1.30 -0.05 -0.33 0.00 -1.58 0.00 0.00 32.23 31.57 2br7 h LYS 171 CO 0.57 0.13 -0.88 0.71 -1.08 0.00 0.00 179.45 178.90 2br7 s TYR 172 N -5.21 2.53 0.21 -1.35 2.02 -1.26 -1.77 117.35 112.52 2br7 s TYR 172 Ca -0.07 -1.04 -0.25 0.00 -0.37 0.00 0.00 57.07 55.34 2br7 s TYR 172 Cb 0.21 -1.69 -0.08 0.00 -0.40 0.00 0.00 41.96 40.00 2br7 s TYR 172 CO 0.76 -0.42 0.81 -2.00 -1.57 0.00 0.00 175.55 173.13 2br7 s GLU 173 N 0.37 4.55 -0.19 -0.62 2.12 0.16 -4.78 118.70 120.31 2br7 s GLU 173 Ca -0.18 1.17 -0.19 0.00 0.36 0.00 0.00 54.97 56.12 2br7 s GLU 173 Cb -0.18 -3.12 -0.03 0.00 0.26 0.00 0.00 34.13 31.06 2br7 s GLU 173 CO 0.08 0.49 0.56 0.42 -0.54 0.00 0.00 175.26 176.27 2br7 s ILE 174 N -1.30 5.08 -0.13 -3.70 -1.09 -1.26 -1.50 121.20 117.30 2br7 s ILE 174 Ca 0.40 1.06 0.15 0.00 -2.23 0.00 0.00 60.65 60.03 2br7 s ILE 174 Cb -0.22 -3.89 -0.24 0.00 -1.58 0.00 0.00 42.46 36.54 2br7 s ILE 174 CO 0.26 0.17 0.32 0.18 -1.23 0.00 0.00 174.94 174.64 2br7 n LEU 175 N 4.73 0.47 -3.56 2.97 4.77 0.25 -4.96 117.00 121.67 2br7 n LEU 175 Ca -0.04 0.18 -0.00 0.00 -0.03 0.00 0.00 56.01 56.12 2br7 n LEU 175 Cb 0.50 0.31 -0.06 0.00 -2.33 0.00 0.00 43.42 41.84 2br7 n LEU 175 CO 0.43 0.47 0.72 -0.94 -1.33 0.00 0.00 177.39 176.73 2br7 s SER 176 N -5.79 -0.44 -0.19 -1.43 1.04 -0.51 -4.95 113.70 101.43 2br7 s SER 176 Ca -0.08 0.68 -0.04 0.00 0.48 0.00 0.00 55.95 56.98 2br7 s SER 176 Cb 0.07 1.29 -0.02 0.00 0.10 0.00 0.00 66.02 67.47 2br7 s SER 176 CO 0.82 -0.10 -0.04 0.00 0.98 0.00 0.00 173.24 174.90 2br7 s ALA 177 N 1.62 2.89 0.04 5.32 0.00 -1.26 -0.23 121.76 130.14 2br7 s ALA 177 Ca -0.07 -1.02 0.04 0.00 0.00 0.00 0.00 51.96 50.92 2br7 s ALA 177 Cb -0.04 -1.64 -0.02 0.00 0.00 0.00 0.00 23.12 21.42 2br7 s ALA 177 CO -0.15 -0.14 -0.12 0.99 0.00 0.00 0.00 175.76 176.34 2br7 s THR 178 N 0.99 0.90 -0.42 0.00 2.01 -0.81 -2.11 115.64 116.20 2br7 s THR 178 Ca 0.01 -0.99 0.02 0.00 0.31 0.00 0.00 61.69 61.03 2br7 s THR 178 Cb -0.15 -0.85 0.15 0.00 0.01 0.00 0.00 72.50 71.66 2br7 s THR 178 CO 0.01 -0.12 0.27 0.00 -0.69 0.00 0.00 174.62 174.09 2br7 s GLN 179 N -1.24 1.06 -0.03 4.92 -2.07 0.28 -1.51 119.66 121.07 2br7 s GLN 179 Ca -0.02 -1.90 -0.18 0.00 -1.82 0.00 0.00 55.36 51.44 2br7 s GLN 179 Cb -0.08 -1.91 -0.05 0.00 -1.09 0.00 0.00 33.01 29.88 2br7 s GLN 179 CO 0.01 -1.23 0.50 0.95 -1.32 0.00 0.00 175.29 174.20 2br7 s THR 180 N 0.40 5.00 0.04 3.63 -4.23 -0.85 -4.47 115.64 115.16 2br7 s THR 180 Ca 0.21 1.04 -0.24 0.00 -1.18 0.00 0.00 61.69 61.52 2br7 s THR 180 Cb -0.17 -3.83 -0.06 0.00 1.34 0.00 0.00 72.50 69.78 2br7 s THR 180 CO -0.04 0.46 0.72 -0.60 -0.54 0.00 0.00 174.62 174.61 2br7 s ARG 181 N -0.32 4.45 0.04 3.99 3.52 -1.26 -0.13 118.95 129.24 2br7 s ARG 181 Ca 0.27 0.98 0.03 0.00 -0.13 0.00 0.00 55.73 56.88 2br7 s ARG 181 Cb -0.17 -3.35 -0.02 0.00 -1.56 0.00 0.00 34.95 29.84 2br7 s ARG 181 CO 0.14 0.32 -0.09 -0.65 -0.81 0.00 0.00 175.30 174.21 2br7 s GLN 182 N -0.13 0.59 -0.14 5.12 -0.21 -0.00 -4.95 119.66 119.93 2br7 s GLN 182 Ca 0.36 -0.75 -0.03 0.00 0.02 0.00 0.00 55.36 54.96 2br7 s GLN 182 Cb -0.20 -0.42 -0.03 0.00 1.00 0.00 0.00 33.01 33.36 2br7 s GLN 182 CO 0.21 0.09 -0.02 0.54 -2.12 0.00 0.00 175.29 173.99 2br7 s VAL 183 N -1.24 4.04 0.22 1.09 0.11 -1.26 -0.42 120.40 122.93 2br7 s VAL 183 Ca -0.07 -0.32 -0.01 0.00 -2.93 0.00 0.00 61.98 58.65 2br7 s VAL 183 Cb -0.09 -2.75 0.01 0.00 -1.53 0.00 0.00 36.38 32.01 2br7 s VAL 183 CO 0.01 0.52 0.30 0.00 -3.33 0.00 0.00 175.10 172.60 2br7 n GLN 184 N 3.18 0.43 -4.99 1.54 10.64 0.26 -4.94 117.38 123.51 2br7 n GLN 184 Ca -0.18 -1.72 -0.28 0.00 -1.83 0.00 0.00 57.00 52.99 2br7 n GLN 184 Cb 0.53 1.66 -0.15 0.00 -0.86 0.00 0.00 30.24 31.41 2br7 n GLN 184 CO 0.00 0.00 0.00 -1.01 -1.83 0.00 0.00 177.06 174.22 2br7 s HIS 185 N -3.72 2.03 0.15 2.61 3.76 -1.26 -0.23 115.29 118.62 2br7 s HIS 185 Ca 0.18 -0.39 0.10 0.00 -0.15 0.00 0.00 55.06 54.80 2br7 s HIS 185 Cb -0.01 -1.27 -0.04 0.00 1.11 0.00 0.00 32.58 32.37 2br7 s HIS 185 CO 0.13 0.02 -0.22 0.71 -0.85 0.00 0.00 174.74 174.53 2br7 s TYR 186 N -0.63 2.04 0.31 1.40 2.02 -1.26 -5.04 117.35 116.19 2br7 s TYR 186 Ca 0.09 -0.41 0.04 0.00 -0.37 0.00 0.00 57.07 56.42 2br7 s TYR 186 Cb -0.09 -1.05 0.64 0.00 -0.40 0.00 0.00 41.96 41.06 2br7 s TYR 186 CO 0.00 0.36 1.84 0.77 -1.57 0.00 0.00 175.55 176.95 2br7 h SER 187 N 3.52 0.84 0.43 2.29 0.02 -2.00 -2.41 113.55 116.23 2br7 h SER 187 Ca -0.46 0.05 -0.07 0.00 -0.84 0.00 0.00 61.79 60.47 2br7 h SER 187 Cb 1.20 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 63.61 2br7 h SER 187 CO 0.46 0.43 -0.32 0.00 -1.14 0.00 0.00 176.83 176.26 2br7 h PRO 190 N 6.76 0.00 -6.40 0.00 0.13 -1.90 -3.38 132.00 127.22 2br7 h PRO 190 Ca -0.36 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.25 2br7 h PRO 190 Cb 1.16 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.28 2br7 h PRO 190 CO 0.49 0.07 -0.21 -1.83 -0.23 0.00 0.00 178.00 176.30 2br7 s GLU 191 N -3.78 3.59 0.20 0.86 1.03 -1.26 -5.02 118.70 114.31 2br7 s GLU 191 Ca -0.00 -0.12 -0.30 0.00 0.03 0.00 0.00 54.97 54.57 2br7 s GLU 191 Cb 0.10 -2.71 -0.09 0.00 -0.80 0.00 0.00 34.13 30.63 2br7 s GLU 191 CO 0.56 0.27 1.35 -1.25 -1.33 0.00 0.00 175.26 174.87 2br7 s PRO 192 N -3.50 4.35 -0.09 -4.83 0.04 -1.26 -4.62 135.00 125.09 2br7 s PRO 192 Ca 0.42 2.12 -0.01 0.00 0.04 0.00 0.00 61.00 63.57 2br7 s PRO 192 Cb -0.11 -3.18 -0.03 0.00 0.04 0.00 0.00 34.50 31.22 2br7 s PRO 192 CO 0.30 -0.32 -0.05 0.71 0.04 0.00 0.00 177.00 177.69 2br7 s TYR 193 N 0.21 3.01 -0.09 0.56 1.51 0.67 0.52 117.35 123.75 2br7 s TYR 193 Ca 0.58 0.02 0.00 0.00 -1.01 0.00 0.00 57.07 56.66 2br7 s TYR 193 Cb -0.38 -1.77 -0.03 0.00 -0.11 0.00 0.00 41.96 39.68 2br7 s TYR 193 CO 0.38 0.31 -0.09 0.96 -1.11 0.00 0.00 175.55 176.01 2br7 s ILE 194 N -0.65 3.52 0.08 2.71 -5.25 -1.26 0.91 121.20 121.27 2br7 s ILE 194 Ca 0.10 -0.53 0.01 0.00 -0.99 0.00 0.00 60.65 59.24 2br7 s ILE 194 Cb -0.12 -2.45 -0.04 0.00 2.95 0.00 0.00 42.46 42.80 2br7 s ILE 194 CO 0.02 0.57 -0.05 1.51 -1.79 0.00 0.00 174.94 175.19 2br7 s ASP 195 N -0.41 0.91 -0.28 4.36 1.47 0.44 -4.25 116.67 118.91 2br7 s ASP 195 Ca 0.06 -0.99 -0.05 0.00 1.18 0.00 0.00 52.55 52.75 2br7 s ASP 195 Cb -0.12 0.13 0.02 0.00 -0.34 0.00 0.00 42.92 42.60 2br7 s ASP 195 CO 0.02 -0.50 0.04 -0.69 0.68 0.00 0.00 175.17 174.72 2br7 s VAL 196 N -3.64 3.65 -0.54 2.11 1.01 0.50 -0.82 120.40 122.67 2br7 s VAL 196 Ca 0.09 -0.82 -0.24 0.00 0.00 0.00 0.00 61.98 61.02 2br7 s VAL 196 Cb 0.06 -2.89 0.04 0.00 0.00 0.00 0.00 36.38 33.59 2br7 s VAL 196 CO -0.06 0.09 0.92 0.21 0.00 0.00 0.00 175.10 176.26 2br7 s ASN 197 N 1.44 6.35 -0.35 3.32 2.47 0.82 0.15 114.94 129.14 2br7 s ASN 197 Ca 0.02 -0.32 -0.25 0.00 0.42 0.00 0.00 52.86 52.73 2br7 s ASN 197 Cb -0.17 -2.43 0.01 0.00 -1.45 0.00 0.00 41.25 37.21 2br7 s ASN 197 CO 0.01 -1.18 0.85 -0.22 -3.72 0.00 0.00 177.10 172.84 2br7 s LEU 198 N 3.84 4.06 -0.39 3.21 2.96 0.14 -2.00 118.68 130.50 2br7 s LEU 198 Ca 0.30 0.55 -0.04 0.00 -0.22 0.00 0.00 54.13 54.72 2br7 s LEU 198 Cb -0.13 -3.16 0.10 0.00 0.50 0.00 0.00 46.19 43.50 2br7 s LEU 198 CO 0.20 -0.76 0.18 -0.69 -1.32 0.00 0.00 176.35 173.95 2br7 s VAL 199 N 3.24 3.38 -0.20 1.68 1.01 -0.57 -0.74 120.40 128.20 2br7 s VAL 199 Ca 0.35 -1.84 -0.08 0.00 0.00 0.00 0.00 61.98 60.41 2br7 s VAL 199 Cb -0.13 -3.22 -0.04 0.00 0.00 0.00 0.00 36.38 33.00 2br7 s VAL 199 CO 0.16 -0.57 0.08 0.54 0.00 0.00 0.00 175.10 175.31 2br7 s VAL 200 N 1.20 4.78 -0.19 2.92 0.11 -0.31 -1.92 120.40 127.00 2br7 s VAL 200 Ca 0.05 -0.03 -0.05 0.00 -2.93 0.00 0.00 61.98 59.02 2br7 s VAL 200 Cb -0.22 -3.18 -0.02 0.00 -1.53 0.00 0.00 36.38 31.43 2br7 s VAL 200 CO -0.03 0.42 -0.01 -0.75 -3.33 0.00 0.00 175.10 171.41 2br7 s LYS 201 N 0.67 3.63 0.00 1.54 2.20 0.68 -1.91 119.74 126.55 2br7 s LYS 201 Ca 0.04 -0.52 -0.15 0.00 -0.36 0.00 0.00 55.97 54.98 2br7 s LYS 201 Cb -0.13 -3.03 0.02 0.00 -1.51 0.00 0.00 37.83 33.19 2br7 s LYS 201 CO 0.02 0.08 0.32 -0.59 -0.36 0.00 0.00 175.35 174.82 2br7 s PHE 202 N 0.80 -0.18 0.26 4.03 -0.12 -0.85 0.85 117.98 122.78 2br7 s PHE 202 Ca -0.00 0.22 0.01 0.00 -0.05 0.00 0.00 56.93 57.11 2br7 s PHE 202 Cb -0.14 0.11 -0.05 0.00 -0.63 0.00 0.00 43.02 42.31 2br7 s PHE 202 CO 0.02 -0.43 0.12 -0.98 -0.05 0.00 0.00 175.22 173.90 2br7 s ARG 203 N -1.67 1.43 0.31 1.99 1.70 -0.57 -1.79 118.95 120.36 2br7 s ARG 203 Ca -0.11 -1.79 -0.18 0.00 -0.47 0.00 0.00 55.73 53.19 2br7 s ARG 203 Cb -0.04 -0.15 -0.09 0.00 -0.57 0.00 0.00 34.95 34.11 2br7 s ARG 203 CO 0.02 -0.35 0.77 -1.83 -1.08 0.00 0.00 175.30 172.83 2br7 s GLU 204 N -3.99 4.13 0.00 3.89 -1.05 -0.68 0.39 118.70 121.38 2br7 s GLU 204 Ca 0.37 0.81 0.28 0.00 -0.15 0.00 0.00 54.97 56.29 2br7 s GLU 204 Cb 0.07 -2.54 1.67 0.00 -0.44 0.00 0.00 34.13 32.89 2br7 s GLU 204 CO 0.14 0.20 2.02 -2.13 0.95 0.00 0.00 175.26 176.44