#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2brx s MET 1 N 0.00 1.76 -0.25 -1.40 -1.94 -1.26 -5.00 119.30 111.20 2brx s MET 1 Ca 0.00 -1.74 -0.05 0.00 -1.71 0.00 0.00 55.69 52.19 2brx s MET 1 Cb 0.00 -1.81 0.00 0.00 2.01 0.00 0.00 34.83 35.03 2brx s MET 1 CO 0.00 0.32 0.01 0.50 -0.01 0.00 0.00 175.02 175.84 2brx s ARG 2 N -3.54 3.20 -0.01 2.03 3.52 -1.26 -0.43 118.95 122.45 2brx s ARG 2 Ca 0.30 -0.76 0.08 0.00 -0.13 0.00 0.00 55.73 55.22 2brx s ARG 2 Cb -0.05 -3.16 -0.02 0.00 -1.56 0.00 0.00 34.95 30.16 2brx s ARG 2 CO 0.16 -0.32 -0.24 0.42 -0.81 0.00 0.00 175.30 174.50 2brx s ILE 3 N 1.47 1.92 -0.21 4.11 1.01 0.96 0.06 121.20 130.52 2brx s ILE 3 Ca 0.04 -1.06 -0.03 0.00 0.00 0.00 0.00 60.65 59.60 2brx s ILE 3 Cb -0.16 -1.60 -0.01 0.00 0.01 0.00 0.00 42.46 40.71 2brx s ILE 3 CO -0.01 0.52 -0.07 -0.69 0.00 0.00 0.00 174.94 174.70 2brx s VAL 4 N -0.59 3.18 -0.22 2.92 1.01 -0.63 -1.23 120.40 124.85 2brx s VAL 4 Ca 0.09 -0.56 -0.08 0.00 0.00 0.00 0.00 61.98 61.43 2brx s VAL 4 Cb -0.09 -2.43 -0.04 0.00 0.00 0.00 0.00 36.38 33.82 2brx s VAL 4 CO -0.01 0.45 0.10 -0.36 0.00 0.00 0.00 175.10 175.28 2brx s PHE 5 N 1.35 3.23 -0.42 5.22 0.08 0.43 -0.67 117.98 127.19 2brx s PHE 5 Ca 0.04 0.01 -0.07 0.00 0.12 0.00 0.00 56.93 57.04 2brx s PHE 5 Cb -0.14 -2.18 0.10 0.00 -0.57 0.00 0.00 43.02 40.23 2brx s PHE 5 CO -0.04 0.01 0.25 0.34 -0.10 0.00 0.00 175.22 175.68 2brx s ASP 6 N 0.89 5.50 -0.35 1.36 2.15 0.24 -1.25 116.67 125.21 2brx s ASP 6 Ca 0.05 -1.75 -0.16 0.00 0.43 0.00 0.00 52.55 51.12 2brx s ASP 6 Cb -0.13 -1.93 -0.01 0.00 -0.30 0.00 0.00 42.92 40.55 2brx s ASP 6 CO 0.03 -0.56 0.43 -0.63 -0.17 0.00 0.00 175.17 174.26 2brx s ILE 7 N 1.32 5.10 0.52 4.11 1.01 -0.57 -0.35 121.20 132.35 2brx s ILE 7 Ca 0.05 0.16 -0.22 0.00 0.00 0.00 0.00 60.65 60.64 2brx s ILE 7 Cb -0.24 -3.89 -0.07 0.00 0.01 0.00 0.00 42.46 38.28 2brx s ILE 7 CO -0.01 -0.16 1.17 0.61 0.00 0.00 0.00 174.94 176.56 2brx n GLY 8 N 4.89 0.26 0.23 6.18 0.00 0.84 -1.55 105.19 116.03 2brx n GLY 8 Ca -0.07 0.02 -0.09 0.00 0.00 0.00 0.00 46.02 45.88 2brx n GLY 8 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2brx h GLY 9 N 1.27 0.80 2.00 -0.02 0.00 -1.89 -2.54 103.07 102.69 2brx h GLY 9 Ca -0.49 -0.48 -0.01 0.00 0.00 0.00 0.00 47.33 46.35 2brx h GLY 9 CO 0.56 0.45 -0.04 1.76 0.00 0.00 0.00 176.54 179.27 2brx h SER 10 N 0.63 0.00 -0.08 0.19 0.02 -1.86 0.51 113.55 112.95 2brx h SER 10 Ca 0.15 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 60.94 2brx h SER 10 Cb 0.29 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.84 2brx h SER 10 CO -0.00 0.04 -0.59 0.58 -1.14 0.00 0.00 176.83 175.72 2brx h VAL 11 N 0.00 1.36 0.00 2.27 2.07 -1.82 -1.66 116.25 118.47 2brx h VAL 11 Ca -0.00 -1.92 -0.21 0.00 0.82 0.00 0.00 66.70 65.40 2brx h VAL 11 Cb 0.07 2.25 -0.03 0.00 -1.52 0.00 0.00 31.29 32.06 2brx h VAL 11 CO 0.01 0.58 -0.98 0.25 0.02 0.00 0.00 177.57 177.44 2brx h LEU 12 N 0.15 0.00 -6.50 2.57 6.46 -1.09 -3.40 115.31 113.50 2brx h LEU 12 Ca -0.05 0.00 -0.59 0.00 -0.12 0.00 0.00 57.88 57.12 2brx h LEU 12 Cb 1.25 0.00 -0.39 0.00 -0.73 0.00 0.00 40.66 40.79 2brx h LEU 12 CO 0.12 0.98 -0.90 -0.69 -0.62 0.00 0.00 178.44 177.33 2brx s VAL 13 N -2.73 0.72 0.13 1.05 1.01 0.17 -2.06 120.40 118.69 2brx s VAL 13 Ca 0.01 -2.82 -0.14 0.00 0.00 0.00 0.00 61.98 59.04 2brx s VAL 13 Cb 0.10 -1.50 -0.02 0.00 0.00 0.00 0.00 36.38 34.96 2brx s VAL 13 CO 0.82 -1.18 1.55 -0.65 0.00 0.00 0.00 175.10 175.64 2brx h PRO 14 N 5.73 0.78 0.00 2.72 0.11 -1.49 -2.93 132.00 136.92 2brx h PRO 14 Ca 0.23 -0.29 0.00 0.00 0.11 0.00 0.00 66.00 66.05 2brx h PRO 14 Cb 0.89 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.95 2brx h PRO 14 CO 0.42 0.89 0.00 -1.91 -0.21 0.00 0.00 178.00 177.19 2brx n GLU 15 N -4.35 0.00 -4.17 1.05 4.07 -1.26 -4.59 120.64 111.40 2brx n GLU 15 Ca -0.01 0.00 -0.26 0.00 -0.06 0.00 0.00 57.16 56.83 2brx n GLU 15 Cb 0.35 -0.04 -0.05 0.00 -0.06 0.00 0.00 31.44 31.64 2brx n GLU 15 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 2brx n ASN 16 N -3.23 3.08 -4.70 4.31 3.02 -1.26 -4.58 115.26 111.89 2brx n ASN 16 Ca 0.00 -2.81 -0.42 0.00 -0.03 0.00 0.00 54.58 51.32 2brx n ASN 16 Cb 0.00 0.31 -0.03 0.00 -0.61 0.00 0.00 39.78 39.45 2brx n ASN 16 CO 0.00 0.00 0.00 -2.84 -2.62 0.00 0.00 177.26 171.80 2brx s PRO 17 N -3.48 4.31 -0.92 3.52 0.02 -1.26 -4.40 135.00 132.79 2brx s PRO 17 Ca 0.01 1.98 -0.24 0.00 0.02 0.00 0.00 61.00 62.77 2brx s PRO 17 Cb 0.00 -3.43 0.02 0.00 0.02 0.00 0.00 34.50 31.11 2brx s PRO 17 CO 0.00 -0.49 1.57 0.34 -0.33 0.00 0.00 177.00 178.10 2brx s ASP 18 N 1.51 6.05 0.25 2.53 -1.08 -0.88 -4.86 116.67 120.18 2brx s ASP 18 Ca 0.64 -1.01 -0.05 0.00 -0.52 0.00 0.00 52.55 51.61 2brx s ASP 18 Cb -0.33 -2.56 0.31 0.00 -1.46 0.00 0.00 42.92 38.87 2brx s ASP 18 CO 0.28 -1.91 1.89 0.40 0.52 0.00 0.00 175.17 176.35 2brx h ILE 19 N 6.80 1.14 -0.19 4.11 2.04 -1.90 -1.86 117.51 127.66 2brx h ILE 19 Ca 0.08 -0.40 -0.00 0.00 1.00 0.00 0.00 64.86 65.54 2brx h ILE 19 Cb 1.02 -0.12 -0.01 0.00 -0.74 0.00 0.00 36.82 36.98 2brx h ILE 19 CO 1.34 0.21 0.11 0.44 0.00 0.00 0.00 178.15 180.25 2brx h ASP 20 N 1.16 0.23 -0.53 1.72 3.32 -2.00 -1.16 116.42 119.16 2brx h ASP 20 Ca 0.38 -0.06 -0.03 0.00 0.02 0.00 0.00 57.03 57.33 2brx h ASP 20 Cb 0.03 -0.06 -0.03 0.00 0.22 0.00 0.00 39.33 39.50 2brx h ASP 20 CO -0.13 0.23 0.22 0.15 -1.72 0.00 0.00 179.24 177.99 2brx h PHE 21 N 0.21 0.84 -0.32 4.55 3.57 -1.90 -1.43 116.94 122.46 2brx h PHE 21 Ca 0.07 -0.05 -0.06 0.00 3.53 0.00 0.00 57.97 61.46 2brx h PHE 21 Cb 0.04 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 38.51 2brx h PHE 21 CO -0.05 0.65 -0.03 0.82 -2.23 0.00 0.00 178.31 177.48 2brx h ILE 22 N 0.83 1.27 -0.19 1.41 2.04 -1.09 0.69 117.51 122.46 2brx h ILE 22 Ca 0.20 -1.02 0.04 0.00 1.00 0.00 0.00 64.86 65.07 2brx h ILE 22 Cb 0.17 1.29 -0.03 0.00 -0.74 0.00 0.00 36.82 37.50 2brx h ILE 22 CO -0.02 0.33 -0.03 0.50 0.00 0.00 0.00 178.15 178.94 2brx h LYS 23 N 0.38 0.02 0.19 2.37 1.63 -0.86 -1.16 116.57 119.15 2brx h LYS 23 Ca 0.09 -0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.88 2brx h LYS 23 Cb 0.49 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.12 2brx h LYS 23 CO 0.02 0.02 -0.09 0.93 -3.45 0.00 0.00 179.45 176.88 2brx h GLU 24 N 0.02 -0.24 -0.51 1.90 5.08 -1.13 -2.15 114.58 117.55 2brx h GLU 24 Ca 0.09 0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.48 2brx h GLU 24 Cb 0.13 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.41 2brx h GLU 24 CO -0.18 0.06 0.34 0.97 -1.00 0.00 0.00 179.01 179.21 2brx h ILE 25 N -0.57 1.10 -0.27 3.13 6.09 -0.86 0.03 117.51 126.16 2brx h ILE 25 Ca -0.03 -0.22 -0.06 0.00 -1.37 0.00 0.00 64.86 63.18 2brx h ILE 25 Cb 0.42 0.39 -0.01 0.00 0.47 0.00 0.00 36.82 38.10 2brx h ILE 25 CO 0.04 0.12 -0.07 0.00 -3.07 0.00 0.00 178.15 175.17 2brx h ALA 26 N 1.69 0.38 -0.13 0.18 0.00 -1.16 -0.50 119.26 119.71 2brx h ALA 26 Ca 0.20 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 2brx h ALA 26 Cb -0.00 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2brx h ALA 26 CO -0.05 0.19 0.05 -0.92 0.00 0.00 0.00 179.25 178.53 2brx h TYR 27 N 0.28 0.19 -0.65 0.00 3.20 -0.80 -1.63 116.97 117.57 2brx h TYR 27 Ca 0.07 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.92 2brx h TYR 27 Cb 0.55 -0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.73 2brx h TYR 27 CO 0.05 0.27 0.40 1.96 -1.64 0.00 0.00 178.16 179.20 2brx h GLN 28 N 0.06 0.88 -0.96 1.82 4.20 -0.96 -1.11 115.11 119.04 2brx h GLN 28 Ca 0.04 -0.08 0.01 0.00 0.06 0.00 0.00 58.65 58.69 2brx h GLN 28 Cb 0.16 -0.19 -0.05 0.00 0.30 0.00 0.00 27.48 27.71 2brx h GLN 28 CO -0.00 0.62 0.63 -0.07 -0.67 0.00 0.00 178.83 179.34 2brx h LEU 29 N 0.88 1.09 -0.07 1.46 3.38 -0.97 0.29 115.31 121.36 2brx h LEU 29 Ca 0.23 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.18 2brx h LEU 29 Cb -0.04 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.44 2brx h LEU 29 CO -0.04 0.78 0.04 0.74 0.09 0.00 0.00 178.44 180.04 2brx h THR 30 N 1.28 1.08 -0.10 0.22 2.02 -0.38 -1.03 112.91 116.01 2brx h THR 30 Ca 0.36 -0.23 0.01 0.00 0.77 0.00 0.00 66.41 67.31 2brx h THR 30 Cb -0.12 1.10 -0.01 0.00 -1.74 0.00 0.00 68.15 67.38 2brx h THR 30 CO -0.08 0.07 0.05 0.11 0.37 0.00 0.00 175.52 176.03 2brx h LYS 31 N 0.03 0.10 -0.51 6.66 1.79 -0.69 -2.05 116.57 121.89 2brx h LYS 31 Ca 0.03 -0.01 0.07 0.00 -2.18 0.00 0.00 60.65 58.56 2brx h LYS 31 Cb 0.08 -0.02 -0.03 0.00 -1.58 0.00 0.00 32.23 30.68 2brx h LYS 31 CO -0.00 0.07 0.35 0.28 -1.08 0.00 0.00 179.45 179.06 2brx h VAL 32 N 0.10 0.95 0.00 0.50 2.07 -0.83 0.55 116.25 119.60 2brx h VAL 32 Ca 0.04 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.42 2brx h VAL 32 Cb 0.01 0.50 0.00 0.00 -1.52 0.00 0.00 31.29 30.28 2brx h VAL 32 CO -0.03 0.07 0.00 -1.54 0.02 0.00 0.00 177.57 176.10 2brx n SER 33 N -4.47 0.00 0.07 0.57 3.41 -0.40 -0.71 113.62 112.08 2brx n SER 33 Ca 0.07 0.17 -0.06 0.00 -0.26 0.00 0.00 58.87 58.79 2brx n SER 33 Cb 0.28 -0.37 0.11 0.00 -0.26 0.00 0.00 64.21 63.97 2brx n SER 33 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2brx h GLU 34 N 0.00 0.32 0.00 4.33 5.08 -0.55 -3.34 114.58 120.42 2brx h GLU 34 Ca 0.00 -0.21 -0.08 0.00 -1.00 0.00 0.00 59.36 58.07 2brx h GLU 34 Cb 0.31 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 2brx h GLU 34 CO 0.00 0.81 -1.68 -0.25 -1.00 0.00 0.00 179.01 176.89 2brx n ASP 35 N -3.91 2.06 -4.41 1.42 8.00 -1.04 -5.05 116.55 113.62 2brx n ASP 35 Ca -0.03 0.00 -0.20 0.00 0.71 0.00 0.00 54.79 55.27 2brx n ASP 35 Cb 0.60 1.28 -0.10 0.00 -0.02 0.00 0.00 41.12 42.88 2brx n ASP 35 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 2brx s HIS 36 N -2.66 1.87 -0.24 1.24 3.76 0.11 -4.49 115.29 114.87 2brx s HIS 36 Ca -0.05 -0.82 -0.21 0.00 -0.15 0.00 0.00 55.06 53.82 2brx s HIS 36 Cb 0.06 -1.12 -0.02 0.00 1.11 0.00 0.00 32.58 32.62 2brx s HIS 36 CO 0.52 0.13 0.67 -1.21 -0.85 0.00 0.00 174.74 174.00 2brx s GLU 37 N -3.80 4.14 0.00 1.40 2.02 0.42 -4.12 118.70 118.77 2brx s GLU 37 Ca 0.31 0.64 0.04 0.00 0.02 0.00 0.00 54.97 55.98 2brx s GLU 37 Cb 0.06 -3.64 -0.03 0.00 0.10 0.00 0.00 34.13 30.62 2brx s GLU 37 CO 0.12 -0.40 -0.10 0.08 0.02 0.00 0.00 175.26 174.98 2brx s VAL 38 N 2.47 3.40 -0.02 2.63 1.01 -1.26 -0.03 120.40 128.60 2brx s VAL 38 Ca 0.28 -0.85 -0.02 0.00 0.00 0.00 0.00 61.98 61.39 2brx s VAL 38 Cb -0.16 -2.45 0.01 0.00 0.00 0.00 0.00 36.38 33.78 2brx s VAL 38 CO 0.09 0.41 0.06 0.00 0.00 0.00 0.00 175.10 175.66 2brx s ALA 39 N -0.94 -0.15 0.04 5.51 0.00 -0.37 -4.14 121.76 121.71 2brx s ALA 39 Ca 0.16 0.16 0.06 0.00 0.00 0.00 0.00 51.96 52.33 2brx s ALA 39 Cb -0.11 -0.09 -0.02 0.00 0.00 0.00 0.00 23.12 22.89 2brx s ALA 39 CO 0.06 -0.03 -0.16 0.08 0.00 0.00 0.00 175.76 175.70 2brx s VAL 40 N 0.00 1.31 -0.07 0.00 1.01 0.00 -0.43 120.40 122.22 2brx s VAL 40 Ca -0.00 -1.07 0.01 0.00 0.00 0.00 0.00 61.98 60.92 2brx s VAL 40 Cb -0.01 -1.16 0.02 0.00 0.00 0.00 0.00 36.38 35.23 2brx s VAL 40 CO 0.00 0.07 -0.09 -0.69 0.00 0.00 0.00 175.10 174.39 2brx s VAL 41 N -0.83 0.95 0.06 2.92 1.01 -0.38 0.02 120.40 124.15 2brx s VAL 41 Ca 0.04 -0.35 0.06 0.00 0.00 0.00 0.00 61.98 61.72 2brx s VAL 41 Cb -0.08 -0.91 -0.04 0.00 0.00 0.00 0.00 36.38 35.35 2brx s VAL 41 CO 0.01 0.32 -0.10 -0.69 0.00 0.00 0.00 175.10 174.64 2brx s VAL 42 N 0.91 3.35 0.47 2.92 1.01 -0.01 -1.51 120.40 127.54 2brx s VAL 42 Ca -0.10 -1.08 -0.01 0.00 0.00 0.00 0.00 61.98 60.78 2brx s VAL 42 Cb -0.15 -2.50 0.10 0.00 0.00 0.00 0.00 36.38 33.83 2brx s VAL 42 CO 0.01 0.25 0.64 0.61 0.00 0.00 0.00 175.10 176.61 2brx n GLY 43 N 1.16 0.45 0.13 4.51 0.00 -0.60 -4.46 105.19 106.38 2brx n GLY 43 Ca -0.15 -1.97 -0.22 0.00 0.00 0.00 0.00 46.02 43.69 2brx n GLY 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2brx n GLY 44 N 0.20 -0.57 7.00 -0.02 0.00 -1.26 -4.39 105.19 106.14 2brx n GLY 44 Ca 0.10 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.95 2brx n GLY 44 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2brx n GLY 45 N 1.87 -0.01 0.10 -0.02 0.00 -1.25 -3.52 105.19 102.35 2brx n GLY 45 Ca -0.36 -0.97 -0.09 0.00 0.00 0.00 0.00 46.02 44.60 2brx n GLY 45 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2brx h LYS 46 N 0.00 0.02 -0.62 1.61 1.63 -1.76 -2.70 116.57 114.75 2brx h LYS 46 Ca 0.00 -0.00 0.10 0.00 -0.85 0.00 0.00 60.65 59.90 2brx h LYS 46 Cb 0.00 -0.00 -0.08 0.00 -0.60 0.00 0.00 32.23 31.55 2brx h LYS 46 CO 0.00 0.01 0.21 1.25 -3.45 0.00 0.00 179.45 177.47 2brx h LEU 47 N 0.02 0.17 -0.68 5.20 5.85 -1.81 -1.02 115.31 123.03 2brx h LEU 47 Ca 0.08 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.90 2brx h LEU 47 Cb 0.12 0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.21 2brx h LEU 47 CO -0.17 0.10 0.44 0.00 -0.34 0.00 0.00 178.44 178.46 2brx h ALA 48 N 1.45 0.86 -0.15 1.25 0.00 -1.55 -1.94 119.26 119.19 2brx h ALA 48 Ca 0.32 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 55.12 2brx h ALA 48 Cb 0.43 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 2brx h ALA 48 CO -0.34 0.30 -0.17 0.00 0.00 0.00 0.00 179.25 179.04 2brx h ARG 49 N 0.92 0.25 -0.12 0.00 3.08 -0.96 0.68 114.38 118.23 2brx h ARG 49 Ca 0.25 -0.06 -0.03 0.00 0.07 0.00 0.00 59.98 60.20 2brx h ARG 49 Cb -0.08 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 29.93 2brx h ARG 49 CO -0.05 0.42 -0.04 0.87 -1.07 0.00 0.00 179.97 180.09 2brx h LYS 50 N 0.23 0.25 -0.20 0.04 1.57 -0.54 -0.39 116.57 117.52 2brx h LYS 50 Ca 0.04 -0.10 -0.11 0.00 -1.87 0.00 0.00 60.65 58.61 2brx h LYS 50 Cb 0.44 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.73 2brx h LYS 50 CO 0.03 0.57 -0.37 1.88 -0.57 0.00 0.00 179.45 180.98 2brx h TYR 51 N -0.08 0.51 -0.36 -1.35 -1.99 -1.16 -1.91 116.97 110.63 2brx h TYR 51 Ca 0.03 -0.13 -0.07 0.00 2.00 0.00 0.00 58.73 60.56 2brx h TYR 51 Cb 0.48 -0.11 -0.01 0.00 2.00 0.00 0.00 36.73 39.09 2brx h TYR 51 CO 0.06 0.75 -0.03 0.82 -0.00 0.00 0.00 178.16 179.76 2brx h ILE 52 N 0.37 1.27 -0.81 -2.88 2.04 -0.83 -2.50 117.51 114.17 2brx h ILE 52 Ca 0.04 -1.05 0.01 0.00 1.00 0.00 0.00 64.86 64.87 2brx h ILE 52 Cb 0.82 1.22 -0.04 0.00 -0.74 0.00 0.00 36.82 38.08 2brx h ILE 52 CO 0.07 0.35 0.53 -0.08 0.00 0.00 0.00 178.15 179.02 2brx h GLU 53 N 0.46 1.04 -0.50 2.37 4.81 -0.80 -0.80 114.58 121.17 2brx h GLU 53 Ca 0.10 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.24 2brx h GLU 53 Cb 0.51 -0.24 -0.02 0.00 0.63 0.00 0.00 28.75 29.63 2brx h GLU 53 CO 0.02 0.69 0.21 0.28 -0.73 0.00 0.00 179.01 179.49 2brx h VAL 54 N 1.07 1.20 -0.42 0.32 2.07 -1.13 -2.19 116.25 117.17 2brx h VAL 54 Ca 0.30 -0.61 -0.04 0.00 0.82 0.00 0.00 66.70 67.16 2brx h VAL 54 Cb -0.10 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 30.34 2brx h VAL 54 CO -0.07 0.24 0.08 0.00 0.02 0.00 0.00 177.57 177.84 2brx h ALA 55 N 1.06 1.36 -0.52 1.67 0.00 -0.91 -2.41 119.26 119.51 2brx h ALA 55 Ca 0.17 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 2brx h ALA 55 Cb 0.17 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 2brx h ALA 55 CO -0.02 0.45 0.20 1.49 0.00 0.00 0.00 179.25 181.38 2brx h GLU 56 N 0.61 0.75 0.00 0.00 4.57 -0.70 -1.07 114.58 118.73 2brx h GLU 56 Ca 0.14 -0.11 -0.02 0.00 -1.18 0.00 0.00 59.36 58.18 2brx h GLU 56 Cb 0.27 -0.13 -0.00 0.00 -0.16 0.00 0.00 28.75 28.72 2brx h GLU 56 CO 0.00 0.62 -0.12 0.87 -1.18 0.00 0.00 179.01 179.21 2brx h LYS 57 N 0.74 0.00 -0.67 1.92 1.57 -0.89 -0.04 116.57 119.20 2brx h LYS 57 Ca 0.18 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 2brx h LYS 57 Cb 0.16 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.47 2brx h LYS 57 CO -0.02 0.12 0.00 1.19 -0.57 0.00 0.00 179.45 180.17 2brx n PHE 58 N -3.52 1.33 -3.09 -1.35 3.01 -0.48 -4.94 117.46 108.44 2brx n PHE 58 Ca -0.01 -0.56 -0.22 0.00 1.01 0.00 0.00 57.45 57.67 2brx n PHE 58 Cb 0.26 -0.18 0.01 0.00 -0.01 0.00 0.00 39.48 39.56 2brx n PHE 58 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 2brx n ASN 59 N 1.24 -4.88 -4.72 4.37 3.02 -0.03 -4.95 115.26 109.31 2brx n ASN 59 Ca 0.25 -0.27 -0.31 0.00 -0.03 0.00 0.00 54.58 54.22 2brx n ASN 59 Cb 0.80 -4.00 0.13 0.00 -0.61 0.00 0.00 39.78 36.10 2brx n ASN 59 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2brx s SER 60 N -2.62 3.72 0.89 6.41 1.04 -0.78 -4.97 113.70 117.39 2brx s SER 60 Ca 0.30 1.88 -0.11 0.00 0.48 0.00 0.00 55.95 58.51 2brx s SER 60 Cb -0.15 -2.48 0.12 0.00 0.10 0.00 0.00 66.02 63.62 2brx s SER 60 CO 0.37 -2.54 1.10 -0.94 0.98 0.00 0.00 173.24 172.22 2brx s SER 61 N -3.14 3.41 0.37 7.02 1.04 -1.26 -4.83 113.70 116.31 2brx s SER 61 Ca 0.63 1.83 0.12 0.00 0.48 0.00 0.00 55.95 59.01 2brx s SER 61 Cb -0.19 -2.43 0.72 0.00 0.10 0.00 0.00 66.02 64.21 2brx s SER 61 CO 0.57 -2.73 1.83 -0.08 0.98 0.00 0.00 173.24 173.81 2brx h GLU 62 N -1.61 0.05 -0.35 4.02 4.57 -2.00 -2.43 114.58 116.84 2brx h GLU 62 Ca -0.47 -0.02 -0.10 0.00 -1.18 0.00 0.00 59.36 57.59 2brx h GLU 62 Cb 1.27 -0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.84 2brx h GLU 62 CO 0.49 0.39 -0.19 1.15 -1.18 0.00 0.00 179.01 179.67 2brx h THR 63 N 0.05 1.29 -0.23 0.32 2.02 -2.00 -2.32 112.91 112.03 2brx h THR 63 Ca 0.00 -1.32 -0.11 0.00 0.77 0.00 0.00 66.41 65.76 2brx h THR 63 Cb 0.62 1.39 -0.01 0.00 -1.74 0.00 0.00 68.15 68.41 2brx h THR 63 CO 0.05 0.43 -0.32 0.15 0.37 0.00 0.00 175.52 176.20 2brx h PHE 64 N 0.53 0.54 -0.73 3.16 3.57 -1.89 -1.98 116.94 120.14 2brx h PHE 64 Ca 0.08 -0.13 -0.00 0.00 3.53 0.00 0.00 57.97 61.44 2brx h PHE 64 Cb 0.74 -0.13 -0.04 0.00 2.79 0.00 0.00 35.95 39.31 2brx h PHE 64 CO 0.06 0.74 0.44 0.87 -2.23 0.00 0.00 178.31 178.20 2brx h LYS 65 N 0.41 0.99 -0.81 1.11 1.57 -1.29 -0.83 116.57 117.72 2brx h LYS 65 Ca 0.05 -0.09 -0.02 0.00 -1.87 0.00 0.00 60.65 58.72 2brx h LYS 65 Cb 0.76 -0.21 -0.04 0.00 0.08 0.00 0.00 32.23 32.83 2brx h LYS 65 CO 0.06 0.70 0.44 -0.44 -0.57 0.00 0.00 179.45 179.64 2brx h ASP 66 N 1.00 1.02 -0.05 0.86 3.32 -1.00 0.66 116.42 122.24 2brx h ASP 66 Ca 0.26 -0.10 -0.04 0.00 0.02 0.00 0.00 57.03 57.17 2brx h ASP 66 Cb -0.04 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.24 2brx h ASP 66 CO -0.05 0.83 -0.05 -0.26 -1.72 0.00 0.00 179.24 177.99 2brx h PHE 67 N 1.13 0.26 -0.07 4.55 0.04 -0.60 0.26 116.94 122.51 2brx h PHE 67 Ca 0.28 -0.02 -0.11 0.00 2.80 0.00 0.00 57.97 60.92 2brx h PHE 67 Cb 0.05 -0.08 0.01 0.00 2.20 0.00 0.00 35.95 38.12 2brx h PHE 67 CO 0.01 0.32 -0.40 0.82 -0.60 0.00 0.00 178.31 178.46 2brx h ILE 68 N 0.25 1.41 -0.66 -0.55 2.04 -0.30 -1.91 117.51 117.79 2brx h ILE 68 Ca 0.06 -1.80 0.04 0.00 1.00 0.00 0.00 64.86 64.16 2brx h ILE 68 Cb 0.27 2.34 -0.04 0.00 -0.74 0.00 0.00 36.82 38.64 2brx h ILE 68 CO 0.01 0.52 0.44 1.23 0.00 0.00 0.00 178.15 180.35 2brx h GLY 69 N -0.08 0.88 0.94 5.37 0.00 -0.23 -1.78 103.07 108.16 2brx h GLY 69 Ca -0.03 -0.30 -0.08 0.00 0.00 0.00 0.00 47.33 46.92 2brx h GLY 69 CO 0.08 0.25 -0.07 -2.22 0.00 0.00 0.00 176.54 174.58 2brx h ILE 70 N 0.75 1.27 -0.99 2.60 2.04 -0.42 -2.30 117.51 120.46 2brx h ILE 70 Ca 0.27 -1.13 0.06 0.00 1.00 0.00 0.00 64.86 65.06 2brx h ILE 70 Cb 0.12 1.27 -0.07 0.00 -0.74 0.00 0.00 36.82 37.40 2brx h ILE 70 CO -0.08 0.37 0.64 -0.61 0.00 0.00 0.00 178.15 178.47 2brx h GLN 71 N 0.49 1.13 -0.22 2.37 5.75 -0.53 -2.39 115.11 121.72 2brx h GLN 71 Ca 0.09 -0.07 -0.07 0.00 -0.15 0.00 0.00 58.65 58.45 2brx h GLN 71 Cb 0.58 -0.26 -0.01 0.00 1.07 0.00 0.00 27.48 28.86 2brx h GLN 71 CO 0.03 0.75 -0.14 0.82 -2.65 0.00 0.00 178.83 177.64 2brx h ILE 72 N 1.17 1.31 -0.71 2.39 1.08 -1.26 -2.70 117.51 118.79 2brx h ILE 72 Ca 0.42 -1.25 0.07 0.00 -0.39 0.00 0.00 64.86 63.72 2brx h ILE 72 Cb 0.15 1.64 -0.04 0.00 -3.07 0.00 0.00 36.82 35.50 2brx h ILE 72 CO -0.17 0.38 0.46 0.71 -0.69 0.00 0.00 178.15 178.85 2brx h THR 73 N 0.19 0.99 0.00 -0.27 1.35 -1.00 0.21 112.91 114.37 2brx h THR 73 Ca 0.05 -0.23 -0.08 0.00 -0.55 0.00 0.00 66.41 65.59 2brx h THR 73 Cb 0.66 0.24 -0.01 0.00 -1.73 0.00 0.00 68.15 67.31 2brx h THR 73 CO 0.04 0.12 -0.37 0.03 -0.25 0.00 0.00 175.52 175.09 2brx h ARG 74 N 0.68 0.00 -0.13 4.72 3.08 -1.32 -0.11 114.38 121.30 2brx h ARG 74 Ca 0.31 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.32 2brx h ARG 74 Cb 0.34 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.38 2brx h ARG 74 CO -0.10 0.37 -0.08 0.00 -1.07 0.00 0.00 179.97 179.09 2brx h ALA 75 N 1.63 0.19 -0.54 0.04 0.00 -0.36 -2.71 119.26 117.51 2brx h ALA 75 Ca -0.00 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 2brx h ALA 75 Cb 0.87 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.59 2brx h ALA 75 CO 0.05 -0.00 0.31 -0.91 0.00 0.00 0.00 179.25 178.69 2brx h ASN 76 N -0.07 0.66 -0.39 0.00 2.35 -0.59 -2.37 115.58 115.16 2brx h ASN 76 Ca 0.03 -0.07 0.10 0.00 -0.55 0.00 0.00 56.30 55.81 2brx h ASN 76 Cb 0.56 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.74 2brx h ASN 76 CO 0.02 0.54 0.28 0.00 -1.65 0.00 0.00 177.43 176.62 2brx h ALA 77 N 1.14 2.30 0.00 -0.83 0.00 -0.96 0.96 119.26 121.88 2brx h ALA 77 Ca 0.19 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.00 2brx h ALA 77 Cb 0.02 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2brx h ALA 77 CO -0.03 -0.41 -0.41 0.52 0.00 0.00 0.00 179.25 178.92 2brx h MET 78 N 0.06 0.00 -0.27 0.00 2.86 -1.09 -0.73 114.93 115.76 2brx h MET 78 Ca 0.19 0.00 -0.13 0.00 -2.06 0.00 0.00 59.70 57.69 2brx h MET 78 Cb 0.67 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.32 2brx h MET 78 CO -0.01 0.41 -0.39 -0.07 1.06 0.00 0.00 176.91 177.91 2brx h LEU 79 N 0.00 0.66 -0.11 1.22 3.38 -0.77 -1.41 115.31 118.28 2brx h LEU 79 Ca -0.00 -0.29 -0.11 0.00 0.09 0.00 0.00 57.88 57.57 2brx h LEU 79 Cb 0.79 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.36 2brx h LEU 79 CO 0.05 0.97 -0.35 0.25 0.09 0.00 0.00 178.44 179.46 2brx h LEU 80 N 0.52 0.49 -1.26 1.67 6.46 -1.32 -1.37 115.31 120.50 2brx h LEU 80 Ca 0.05 -0.61 0.11 0.00 -0.12 0.00 0.00 57.88 57.31 2brx h LEU 80 Cb 0.90 -0.14 -0.06 0.00 -0.73 0.00 0.00 40.66 40.62 2brx h LEU 80 CO 0.08 1.01 0.56 0.40 -0.62 0.00 0.00 178.44 179.87 2brx h ILE 81 N -0.00 0.93 -0.13 4.05 2.04 -1.09 0.42 117.51 123.72 2brx h ILE 81 Ca -0.01 -0.27 -0.03 0.00 1.00 0.00 0.00 64.86 65.55 2brx h ILE 81 Cb 0.97 0.06 -0.00 0.00 -0.74 0.00 0.00 36.82 37.11 2brx h ILE 81 CO 0.07 0.15 -0.03 0.00 0.00 0.00 0.00 178.15 178.34 2brx h ALA 82 N 1.58 0.18 0.00 1.87 0.00 -1.13 -2.87 119.26 118.89 2brx h ALA 82 Ca 0.41 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 2brx h ALA 82 Cb 0.50 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 2brx h ALA 82 CO -0.18 -0.08 -0.06 0.00 0.00 0.00 0.00 179.25 178.94 2brx h ALA 83 N 0.71 1.16 -0.00 0.00 0.00 0.09 -2.23 119.26 118.98 2brx h ALA 83 Ca 0.03 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2brx h ALA 83 Cb 0.44 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2brx h ALA 83 CO 0.01 0.08 -0.27 1.28 0.00 0.00 0.00 179.25 180.35 2brx n LEU 84 N -3.39 0.45 0.00 0.00 4.77 0.13 -4.76 117.00 114.20 2brx n LEU 84 Ca -0.02 0.08 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 2brx n LEU 84 Cb 0.21 -0.28 0.00 0.00 -2.33 0.00 0.00 43.42 41.02 2brx n LEU 84 CO 0.27 0.10 0.00 0.54 -1.33 0.00 0.00 177.39 176.97 2brx n ARG 85 N -1.28 0.00 0.00 3.23 1.74 -0.84 -2.09 116.66 117.42 2brx n ARG 85 Ca 0.09 0.00 0.05 0.00 -0.77 0.00 0.00 57.85 57.22 2brx n ARG 85 Cb 0.33 0.00 0.30 0.00 -1.02 0.00 0.00 32.46 32.07 2brx n ARG 85 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2brx n GLU 86 N 14.00 0.33 0.03 5.56 4.71 -1.26 -2.43 120.64 141.57 2brx n GLU 86 Ca 0.00 0.00 0.11 0.00 -0.01 0.00 0.00 57.16 57.26 2brx n GLU 86 Cb 0.00 -1.49 -0.02 0.00 -1.01 0.00 0.00 31.44 28.92 2brx n GLU 86 CO 0.00 0.00 0.00 1.17 0.09 0.00 0.00 177.13 178.39 2brx n LYS 87 N -0.99 0.37 -3.08 3.49 3.00 -0.89 -4.96 118.16 115.11 2brx n LYS 87 Ca 0.08 -0.02 -0.25 0.00 -0.00 0.00 0.00 58.31 58.11 2brx n LYS 87 Cb 0.04 -1.61 -0.01 0.00 0.00 0.00 0.00 35.03 33.45 2brx n LYS 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2brx s ALA 88 N -3.26 3.58 0.02 3.14 0.00 -1.02 -0.98 121.76 123.23 2brx s ALA 88 Ca 0.01 -0.74 -0.30 0.00 0.00 0.00 0.00 51.96 50.93 2brx s ALA 88 Cb 0.14 -2.31 -0.04 0.00 0.00 0.00 0.00 23.12 20.91 2brx s ALA 88 CO 0.82 -0.15 1.11 -0.47 0.00 0.00 0.00 175.76 177.06 2brx s TYR 89 N -2.49 3.51 0.36 0.00 5.04 -0.00 -4.68 117.35 119.09 2brx s TYR 89 Ca 0.43 1.46 0.14 0.00 -2.44 0.00 0.00 57.07 56.66 2brx s TYR 89 Cb -0.10 -3.29 0.97 0.00 0.35 0.00 0.00 41.96 39.89 2brx s TYR 89 CO 0.40 -0.74 1.78 -1.35 -1.34 0.00 0.00 175.55 174.30 2brx h PRO 90 N 6.86 0.51 -6.27 4.97 0.11 -1.94 -3.44 132.00 132.81 2brx h PRO 90 Ca -0.40 -0.03 -0.58 0.00 0.11 0.00 0.00 66.00 65.09 2brx h PRO 90 Cb 1.21 -0.12 -0.09 0.00 0.11 0.00 0.00 31.00 32.11 2brx h PRO 90 CO 0.79 0.34 -0.62 0.14 -0.21 0.00 0.00 178.00 178.45 2brx s VAL 91 N -5.62 4.02 -0.16 3.15 -7.23 -1.26 -5.05 120.40 108.25 2brx s VAL 91 Ca -0.10 -1.34 -0.29 0.00 -1.81 0.00 0.00 61.98 58.44 2brx s VAL 91 Cb 0.25 -3.05 -0.03 0.00 0.56 0.00 0.00 36.38 34.11 2brx s VAL 91 CO 0.80 -0.15 1.54 -0.69 -0.31 0.00 0.00 175.10 176.29 2brx s VAL 92 N -1.81 3.80 0.15 1.32 1.01 -1.26 -4.62 120.40 119.00 2brx s VAL 92 Ca 0.29 0.94 -0.31 0.00 0.00 0.00 0.00 61.98 62.91 2brx s VAL 92 Cb -0.09 -3.70 -0.09 0.00 0.00 0.00 0.00 36.38 32.50 2brx s VAL 92 CO 0.21 -0.19 1.42 -0.69 0.00 0.00 0.00 175.10 175.85 2brx s VAL 93 N 4.41 3.07 -0.39 2.92 1.01 -0.52 -4.92 120.40 125.97 2brx s VAL 93 Ca 0.68 0.79 0.14 0.00 0.00 0.00 0.00 61.98 63.60 2brx s VAL 93 Cb -0.27 -3.51 -0.19 0.00 0.00 0.00 0.00 36.38 32.42 2brx s VAL 93 CO 0.26 0.08 0.48 -0.62 0.00 0.00 0.00 175.10 175.30 2brx n GLU 94 N 3.60 1.51 -4.00 2.72 1.02 -1.26 -3.98 120.64 120.25 2brx n GLU 94 Ca 0.11 -0.06 -0.08 0.00 -0.02 0.00 0.00 57.16 57.11 2brx n GLU 94 Cb 0.41 -1.25 -0.09 0.00 -0.02 0.00 0.00 31.44 30.50 2brx n GLU 94 CO 0.00 0.00 0.00 0.16 1.18 0.00 0.00 177.13 178.47 2brx s ASP 95 N -2.92 0.27 0.17 1.62 1.47 -1.26 -4.85 116.67 111.18 2brx s ASP 95 Ca 0.01 -0.89 -0.14 0.00 1.18 0.00 0.00 52.55 52.71 2brx s ASP 95 Cb 0.10 0.30 0.08 0.00 -0.34 0.00 0.00 42.92 43.06 2brx s ASP 95 CO 0.59 -0.70 1.83 -0.26 0.68 0.00 0.00 175.17 177.31 2brx h PHE 96 N 2.88 0.63 0.00 2.11 0.04 -1.98 -2.69 116.94 117.92 2brx h PHE 96 Ca -0.34 0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.43 2brx h PHE 96 Cb 1.18 -0.21 -0.00 0.00 2.20 0.00 0.00 35.95 39.12 2brx h PHE 96 CO 0.46 0.38 -0.10 -1.49 -0.60 0.00 0.00 178.31 176.96 2brx h TRP 97 N 0.67 0.00 -0.12 -0.55 4.06 -1.98 -0.50 115.95 117.53 2brx h TRP 97 Ca 0.20 0.00 -0.23 0.00 2.06 0.00 0.00 58.89 60.92 2brx h TRP 97 Cb -0.04 0.00 0.01 0.00 -1.00 0.00 0.00 29.16 28.13 2brx h TRP 97 CO -0.05 0.10 -0.83 1.49 -3.56 0.00 0.00 178.44 175.59 2brx h GLU 98 N 0.00 0.76 -0.72 0.49 4.57 -1.92 -0.97 114.58 116.79 2brx h GLU 98 Ca -0.00 -0.65 -0.04 0.00 -1.18 0.00 0.00 59.36 57.49 2brx h GLU 98 Cb 0.31 0.15 -0.03 0.00 -0.16 0.00 0.00 28.75 29.02 2brx h GLU 98 CO 0.01 1.26 0.31 0.00 -1.18 0.00 0.00 179.01 179.41 2brx h ALA 99 N 0.55 1.19 -0.61 2.92 0.00 -1.04 -1.98 119.26 120.29 2brx h ALA 99 Ca -0.07 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.68 2brx h ALA 99 Cb 1.46 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.94 2brx h ALA 99 CO 0.17 0.60 0.38 2.35 0.00 0.00 0.00 179.25 182.74 2brx h TRP 100 N 1.03 0.79 -0.84 0.00 7.01 -0.82 -2.08 115.95 121.04 2brx h TRP 100 Ca 0.24 0.00 -0.03 0.00 2.11 0.00 0.00 58.89 61.22 2brx h TRP 100 Cb 0.16 -0.26 -0.04 0.00 -2.10 0.00 0.00 29.16 26.92 2brx h TRP 100 CO 0.01 0.53 0.42 0.87 -2.79 0.00 0.00 178.44 177.49 2brx h LYS 101 N 0.82 1.19 -0.71 2.65 1.57 -0.51 -2.36 116.57 119.22 2brx h LYS 101 Ca 0.22 -0.16 -0.00 0.00 -1.87 0.00 0.00 60.65 58.84 2brx h LYS 101 Cb -0.04 -0.22 -0.03 0.00 0.08 0.00 0.00 32.23 32.01 2brx h LYS 101 CO -0.04 0.90 0.44 0.00 -0.57 0.00 0.00 179.45 180.18 2brx h ALA 102 N 1.23 0.91 -0.63 3.86 0.00 -0.96 -1.96 119.26 121.71 2brx h ALA 102 Ca 0.29 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.15 2brx h ALA 102 Cb 0.08 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.55 2brx h ALA 102 CO -0.04 0.37 0.39 0.28 0.00 0.00 0.00 179.25 180.25 2brx h VAL 103 N 0.97 1.08 -0.30 0.00 2.07 -1.02 -0.27 116.25 118.80 2brx h VAL 103 Ca 0.26 -0.26 -0.01 0.00 0.82 0.00 0.00 66.70 67.50 2brx h VAL 103 Cb -0.05 0.25 -0.02 0.00 -1.52 0.00 0.00 31.29 29.95 2brx h VAL 103 CO -0.05 0.14 0.12 1.56 0.02 0.00 0.00 177.57 179.36 2brx h GLN 104 N 0.77 0.41 -0.08 1.57 1.08 -0.90 -0.43 115.11 117.52 2brx h GLN 104 Ca 0.25 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.41 2brx h GLN 104 Cb 0.01 -0.08 0.00 0.00 -0.05 0.00 0.00 27.48 27.36 2brx h GLN 104 CO -0.10 0.34 0.00 1.28 -0.95 0.00 0.00 178.83 179.40 2brx n LEU 105 N -4.42 0.94 -2.25 1.46 4.77 -0.58 -4.91 117.00 112.00 2brx n LEU 105 Ca 0.01 -0.38 -0.16 0.00 -0.03 0.00 0.00 56.01 55.45 2brx n LEU 105 Cb 0.12 -0.05 0.03 0.00 -2.33 0.00 0.00 43.42 41.19 2brx n LEU 105 CO 0.36 0.19 0.00 0.29 -1.33 0.00 0.00 177.39 176.90 2brx n LYS 106 N -0.18 -3.60 -4.52 3.23 4.76 -0.17 -5.02 118.16 112.66 2brx n LYS 106 Ca 0.16 0.66 -0.27 0.00 -2.87 0.00 0.00 58.31 55.99 2brx n LYS 106 Cb 0.22 -5.00 -0.13 0.00 -1.84 0.00 0.00 35.03 28.28 2brx n LYS 106 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 2brx s LYS 107 N -5.38 1.39 -0.36 1.97 -0.14 -0.22 -4.99 119.74 112.01 2brx s LYS 107 Ca 0.22 -1.14 -0.29 0.00 -1.36 0.00 0.00 55.97 53.40 2brx s LYS 107 Cb -0.10 -1.66 0.02 0.00 -1.68 0.00 0.00 37.83 34.41 2brx s LYS 107 CO 0.28 0.41 1.07 0.42 -0.76 0.00 0.00 175.35 176.77 2brx s ILE 108 N -0.97 4.44 0.07 2.17 1.01 -0.16 -3.71 121.20 124.06 2brx s ILE 108 Ca 0.10 1.55 -0.27 0.00 0.00 0.00 0.00 60.65 62.03 2brx s ILE 108 Cb -0.10 -4.45 -0.06 0.00 0.01 0.00 0.00 42.46 37.86 2brx s ILE 108 CO 0.04 -0.62 0.83 -2.16 0.00 0.00 0.00 174.94 173.03 2brx s PRO 109 N 3.83 4.56 -0.22 2.79 0.04 -1.26 -0.82 135.00 143.92 2brx s PRO 109 Ca 0.45 1.19 0.01 0.00 0.04 0.00 0.00 61.00 62.69 2brx s PRO 109 Cb -0.11 -3.36 0.03 0.00 0.04 0.00 0.00 34.50 31.10 2brx s PRO 109 CO 0.20 0.27 -0.14 0.08 0.04 0.00 0.00 177.00 177.45 2brx s VAL 110 N -0.08 2.30 0.28 -0.36 1.01 -1.26 -0.82 120.40 121.48 2brx s VAL 110 Ca 0.41 -1.14 0.07 0.00 0.00 0.00 0.00 61.98 61.32 2brx s VAL 110 Cb -0.21 -2.12 -0.03 0.00 0.00 0.00 0.00 36.38 34.01 2brx s VAL 110 CO 0.25 0.31 0.25 -0.04 0.00 0.00 0.00 175.10 175.87 2brx s MET 111 N 1.25 2.90 0.00 2.72 -1.94 0.10 -1.44 119.30 122.90 2brx s MET 111 Ca 0.00 -1.11 0.00 0.00 -1.71 0.00 0.00 55.69 52.87 2brx s MET 111 Cb -0.16 -2.57 0.00 0.00 2.01 0.00 0.00 34.83 34.11 2brx s MET 111 CO -0.09 0.28 0.00 0.41 -0.01 0.00 0.00 175.02 175.61 2brx n GLY 112 N -1.29 4.87 3.84 -0.03 0.00 -1.26 -0.83 105.19 110.50 2brx n GLY 112 Ca -0.05 -1.74 -0.30 0.00 0.00 0.00 0.00 46.02 43.93 2brx n GLY 112 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2brx s GLY 113 N 0.00 1.74 0.00 -0.02 0.00 -1.26 -4.73 107.32 103.05 2brx s GLY 113 Ca 0.00 -1.18 0.00 0.00 0.00 0.00 0.00 44.72 43.54 2brx s GLY 113 CO 0.00 -0.36 0.00 -1.30 0.00 0.00 0.00 173.10 171.44 2brx n THR 114 N -4.08 0.00 -3.68 0.90 -2.24 -1.26 -4.95 114.28 98.96 2brx n THR 114 Ca 0.15 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.79 2brx n THR 114 Cb 0.59 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.74 2brx n THR 114 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 2brx s HIS 115 N -1.00 -0.53 0.75 4.78 5.04 -1.26 -5.11 115.29 117.96 2brx s HIS 115 Ca 0.00 1.20 -0.15 0.00 -1.54 0.00 0.00 55.06 54.56 2brx s HIS 115 Cb 0.00 0.21 0.01 0.00 0.04 0.00 0.00 32.58 32.84 2brx s HIS 115 CO 0.00 -0.34 0.83 -2.30 -2.34 0.00 0.00 174.74 170.59 2brx n PRO 116 N 2.31 0.35 0.00 2.88 -0.02 -1.26 -2.76 135.00 136.49 2brx n PRO 116 Ca -0.15 0.17 0.00 0.00 -2.02 0.00 0.00 63.50 61.50 2brx n PRO 116 Cb 0.56 -2.11 0.00 0.00 -0.02 0.00 0.00 33.50 31.93 2brx n PRO 116 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2brx n GLY 117 N 1.21 3.14 3.39 -1.23 0.00 -1.26 -5.02 105.19 105.43 2brx n GLY 117 Ca 0.12 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.92 2brx n GLY 117 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2brx s HIS 118 N -1.87 2.00 0.38 1.61 -3.43 -1.11 -5.03 115.29 107.83 2brx s HIS 118 Ca 0.00 -0.44 0.07 0.00 -0.80 0.00 0.00 55.06 53.89 2brx s HIS 118 Cb 0.00 -0.93 -0.00 0.00 -1.43 0.00 0.00 32.58 30.22 2brx s HIS 118 CO 0.00 0.49 0.50 0.95 -2.00 0.00 0.00 174.74 174.68 2brx s THR 119 N -2.46 3.49 0.46 -5.38 -4.23 -1.26 -4.82 115.64 101.43 2brx s THR 119 Ca 0.23 -1.04 0.33 0.00 -1.18 0.00 0.00 61.69 60.04 2brx s THR 119 Cb -0.04 -3.19 0.36 0.00 1.34 0.00 0.00 72.50 70.97 2brx s THR 119 CO 0.10 -0.08 2.16 0.71 -0.54 0.00 0.00 174.62 176.97 2brx h THR 120 N 0.81 0.32 -0.64 3.99 1.35 -1.93 -1.10 112.91 115.71 2brx h THR 120 Ca -0.43 -0.32 -0.04 0.00 -0.55 0.00 0.00 66.41 65.08 2brx h THR 120 Cb 1.27 1.23 -0.03 0.00 -1.73 0.00 0.00 68.15 68.89 2brx h THR 120 CO 0.50 0.05 0.25 0.44 -0.25 0.00 0.00 175.52 176.51 2brx h ASP 121 N 0.00 0.89 -0.44 5.36 3.45 -1.97 0.21 116.42 123.92 2brx h ASP 121 Ca -0.00 -0.18 -0.07 0.00 0.43 0.00 0.00 57.03 57.21 2brx h ASP 121 Cb 0.23 -0.23 -0.02 0.00 -0.56 0.00 0.00 39.33 38.75 2brx h ASP 121 CO 0.01 0.82 0.03 0.00 -1.57 0.00 0.00 179.24 178.53 2brx h ALA 122 N 1.10 1.10 -0.15 3.45 0.00 -1.57 -1.05 119.26 122.14 2brx h ALA 122 Ca 0.21 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 2brx h ALA 122 Cb 0.22 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2brx h ALA 122 CO -0.02 0.58 0.02 0.28 0.00 0.00 0.00 179.25 180.11 2brx h VAL 123 N 0.78 1.23 -0.68 0.00 2.07 -0.98 -1.10 116.25 117.57 2brx h VAL 123 Ca 0.16 -0.74 -0.06 0.00 0.82 0.00 0.00 66.70 66.88 2brx h VAL 123 Cb 0.42 1.43 -0.03 0.00 -1.52 0.00 0.00 31.29 31.60 2brx h VAL 123 CO 0.02 0.22 0.20 0.00 0.02 0.00 0.00 177.57 178.02 2brx h ALA 124 N 0.80 1.07 -0.27 1.67 0.00 -0.82 0.88 119.26 122.60 2brx h ALA 124 Ca 0.05 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 2brx h ALA 124 Cb 0.32 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2brx h ALA 124 CO 0.00 0.63 0.06 0.00 0.00 0.00 0.00 179.25 179.94 2brx h ALA 125 N 1.21 0.35 0.00 0.00 0.00 -1.12 0.23 119.26 119.93 2brx h ALA 125 Ca 0.22 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 2brx h ALA 125 Cb 0.30 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2brx h ALA 125 CO -0.01 0.01 -0.37 -0.07 0.00 0.00 0.00 179.25 178.82 2brx h LEU 126 N 0.26 0.00 -0.12 0.00 3.38 -1.00 -1.29 115.31 116.54 2brx h LEU 126 Ca 0.08 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.90 2brx h LEU 126 Cb 0.29 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.05 2brx h LEU 126 CO 0.00 0.37 -0.53 0.25 0.09 0.00 0.00 178.44 178.63 2brx h LEU 127 N 0.00 0.68 -0.93 1.67 7.12 -0.43 -0.43 115.31 122.99 2brx h LEU 127 Ca -0.00 -0.63 -0.04 0.00 0.13 0.00 0.00 57.88 57.34 2brx h LEU 127 Cb 0.69 -0.20 -0.03 0.00 -0.53 0.00 0.00 40.66 40.59 2brx h LEU 127 CO 0.05 1.19 0.32 0.00 -0.13 0.00 0.00 178.44 179.87 2brx h ALA 128 N 0.50 1.16 -0.35 1.25 0.00 -0.33 -0.21 119.26 121.27 2brx h ALA 128 Ca -0.03 -0.17 -0.17 0.00 0.00 0.00 0.00 54.91 54.54 2brx h ALA 128 Cb 1.16 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.65 2brx h ALA 128 CO 0.11 0.62 -0.44 1.49 0.00 0.00 0.00 179.25 181.03 2brx h GLU 129 N 1.08 0.92 -0.42 0.00 4.81 -1.18 0.26 114.58 120.05 2brx h GLU 129 Ca 0.25 -0.52 -0.12 0.00 -0.13 0.00 0.00 59.36 58.84 2brx h GLU 129 Cb 0.17 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.57 2brx h GLU 129 CO -0.03 1.17 -0.21 0.35 -0.73 0.00 0.00 179.01 179.56 2brx h PHE 130 N 0.74 1.02 -0.01 0.92 3.57 -0.73 -2.85 116.94 119.60 2brx h PHE 130 Ca 0.05 -0.26 0.00 0.00 3.53 0.00 0.00 57.97 61.29 2brx h PHE 130 Cb 1.04 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 39.55 2brx h PHE 130 CO 0.07 1.04 0.00 1.28 -2.23 0.00 0.00 178.31 178.47 2brx n LEU 131 N -4.19 0.50 -3.11 0.59 4.77 -0.12 -4.88 117.00 110.55 2brx n LEU 131 Ca -0.01 -0.17 -0.21 0.00 -0.03 0.00 0.00 56.01 55.58 2brx n LEU 131 Cb 0.44 -0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.54 2brx n LEU 131 CO 0.46 0.09 -0.05 0.29 -1.33 0.00 0.00 177.39 176.84 2brx n LYS 132 N -0.60 -3.68 -1.58 3.23 5.02 -0.68 -4.87 118.16 115.01 2brx n LYS 132 Ca 0.22 0.64 -0.39 0.00 -2.02 0.00 0.00 58.31 56.76 2brx n LYS 132 Cb 0.19 -5.38 0.04 0.00 -0.02 0.00 0.00 35.03 29.85 2brx n LYS 132 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2brx n ALA 133 N -3.32 -0.16 0.10 7.82 0.00 0.85 -4.93 120.51 120.86 2brx n ALA 133 Ca -0.07 0.05 -0.17 0.00 0.00 0.00 0.00 53.44 53.26 2brx n ALA 133 Cb 0.58 -2.03 -0.14 0.00 0.00 0.00 0.00 19.45 17.86 2brx n ALA 133 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2brx h ASP 134 N 0.68 0.45 -4.66 0.00 5.19 -0.70 -3.47 116.42 113.91 2brx h ASP 134 Ca -0.47 -0.52 -0.28 0.00 -0.62 0.00 0.00 57.03 55.15 2brx h ASP 134 Cb 1.37 -0.15 -0.22 0.00 0.18 0.00 0.00 39.33 40.51 2brx h ASP 134 CO 0.51 1.41 -0.74 -0.22 -3.12 0.00 0.00 179.24 177.09 2brx s LEU 135 N -7.14 2.23 -0.19 1.55 0.20 -1.11 -4.45 118.68 109.78 2brx s LEU 135 Ca -0.06 -0.50 0.00 0.00 0.69 0.00 0.00 54.13 54.27 2brx s LEU 135 Cb 0.07 -0.18 0.04 0.00 -0.43 0.00 0.00 46.19 45.69 2brx s LEU 135 CO 0.88 -0.17 -0.08 -0.22 -0.29 0.00 0.00 176.35 176.47 2brx s LEU 136 N -1.41 2.03 -0.27 -0.68 2.96 -0.68 -1.60 118.68 119.04 2brx s LEU 136 Ca -0.09 -0.80 -0.07 0.00 -0.22 0.00 0.00 54.13 52.95 2brx s LEU 136 Cb -0.09 -1.11 -0.01 0.00 0.50 0.00 0.00 46.19 45.48 2brx s LEU 136 CO 0.00 -0.16 0.06 -0.69 -1.32 0.00 0.00 176.35 174.24 2brx s VAL 137 N 1.49 4.02 -0.37 1.68 1.01 0.15 -0.52 120.40 127.85 2brx s VAL 137 Ca -0.00 -0.46 -0.10 0.00 0.00 0.00 0.00 61.98 61.42 2brx s VAL 137 Cb -0.16 -2.96 0.04 0.00 0.00 0.00 0.00 36.38 33.30 2brx s VAL 137 CO -0.08 0.23 0.19 -0.69 0.00 0.00 0.00 175.10 174.76 2brx s VAL 138 N 1.54 4.37 -0.42 2.92 1.01 0.11 0.79 120.40 130.72 2brx s VAL 138 Ca 0.05 -0.99 -0.15 0.00 0.00 0.00 0.00 61.98 60.88 2brx s VAL 138 Cb -0.16 -3.48 0.03 0.00 0.00 0.00 0.00 36.38 32.77 2brx s VAL 138 CO 0.02 -0.27 0.32 -0.63 0.00 0.00 0.00 175.10 174.54 2brx s ILE 139 N 1.51 5.21 0.00 2.22 1.01 0.53 -1.53 121.20 130.15 2brx s ILE 139 Ca 0.01 -0.78 0.00 0.00 0.00 0.00 0.00 60.65 59.88 2brx s ILE 139 Cb -0.20 -3.96 0.00 0.00 0.01 0.00 0.00 42.46 38.31 2brx s ILE 139 CO 0.05 -0.38 0.00 1.07 0.00 0.00 0.00 174.94 175.69 2brx n THR 140 N 5.16 0.00 1.19 2.92 5.66 -0.71 -0.11 114.28 128.39 2brx n THR 140 Ca -0.11 0.00 0.13 0.00 -3.05 0.00 0.00 64.05 61.01 2brx n THR 140 Cb 0.46 -0.08 0.26 0.00 -1.55 0.00 0.00 70.33 69.42 2brx n THR 140 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 2brx n ASN 141 N 0.00 2.01 -4.37 1.09 3.02 -1.26 -3.44 115.26 112.30 2brx n ASN 141 Ca 0.00 -1.56 -0.24 0.00 -0.03 0.00 0.00 54.58 52.75 2brx n ASN 141 Cb 0.00 0.12 -0.12 0.00 -0.61 0.00 0.00 39.78 39.17 2brx n ASN 141 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2brx s VAL 142 N -2.19 2.05 0.55 2.41 0.11 -1.26 -4.86 120.40 117.21 2brx s VAL 142 Ca 0.28 -1.93 0.27 0.00 -2.93 0.00 0.00 61.98 57.68 2brx s VAL 142 Cb 0.20 -1.94 0.40 0.00 -1.53 0.00 0.00 36.38 33.51 2brx s VAL 142 CO 0.40 -0.20 1.97 0.44 -3.33 0.00 0.00 175.10 174.39 2brx h ASP 143 N 3.32 0.00 0.00 3.54 3.32 -1.92 -3.09 116.42 121.59 2brx h ASP 143 Ca -0.44 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.61 2brx h ASP 143 Cb 1.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.75 2brx h ASP 143 CO 0.48 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.61 2brx n GLY 144 N -1.59 -0.78 3.35 2.75 0.00 -1.26 -3.90 105.19 103.76 2brx n GLY 144 Ca 0.10 -0.29 -0.45 0.00 0.00 0.00 0.00 46.02 45.38 2brx n GLY 144 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2brx s VAL 145 N -4.00 5.15 0.00 1.61 1.01 -1.26 -4.99 120.40 117.92 2brx s VAL 145 Ca 0.00 -1.26 0.00 0.00 0.00 0.00 0.00 61.98 60.72 2brx s VAL 145 Cb 0.00 -4.17 0.00 0.00 0.00 0.00 0.00 36.38 32.21 2brx s VAL 145 CO 0.00 -0.69 0.00 -1.22 0.00 0.00 0.00 175.10 173.19 2brx n TYR 146 N 5.20 -2.00 -0.15 5.22 4.02 -1.26 -1.66 117.16 126.53 2brx n TYR 146 Ca -0.13 0.00 0.11 0.00 -0.01 0.00 0.00 57.90 57.88 2brx n TYR 146 Cb 0.42 0.00 0.21 0.00 -0.02 0.00 0.00 39.34 39.95 2brx n TYR 146 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2brx n ALA 156 N -3.00 0.37 -2.29 -0.72 0.00 -1.26 -4.71 120.51 108.90 2brx n ALA 156 Ca 0.00 0.47 -0.24 0.00 0.00 0.00 0.00 53.44 53.68 2brx n ALA 156 Cb 0.00 -0.42 -0.00 0.00 0.00 0.00 0.00 19.45 19.03 2brx n ALA 156 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2brx s LYS 157 N -4.92 2.34 -0.22 0.00 2.20 -1.26 -5.12 119.74 112.75 2brx s LYS 157 Ca -0.05 -1.82 -0.04 0.00 -0.36 0.00 0.00 55.97 53.69 2brx s LYS 157 Cb 0.15 -2.26 -0.01 0.00 -1.51 0.00 0.00 37.83 34.19 2brx s LYS 157 CO 0.35 -0.53 -0.02 0.21 -0.36 0.00 0.00 175.35 175.00 2brx s LYS 158 N -4.29 3.43 -0.13 4.03 2.20 -1.26 -4.98 119.74 118.74 2brx s LYS 158 Ca 0.43 -0.60 -0.27 0.00 -0.36 0.00 0.00 55.97 55.17 2brx s LYS 158 Cb -0.03 -3.06 -0.02 0.00 -1.51 0.00 0.00 37.83 33.22 2brx s LYS 158 CO 0.26 -0.18 0.90 0.42 -0.36 0.00 0.00 175.35 176.38 2brx s ILE 159 N 1.46 4.85 -0.16 5.43 1.01 -0.66 -4.96 121.20 128.17 2brx s ILE 159 Ca 0.05 1.79 -0.20 0.00 0.00 0.00 0.00 60.65 62.30 2brx s ILE 159 Cb -0.14 -4.21 -0.23 0.00 0.01 0.00 0.00 42.46 37.89 2brx s ILE 159 CO -0.02 0.03 0.40 0.11 0.00 0.00 0.00 174.94 175.46 2brx h LYS 160 N 7.19 0.09 -5.96 2.79 1.57 -1.88 -3.40 116.57 116.95 2brx h LYS 160 Ca -0.31 -0.15 -0.62 0.00 -1.87 0.00 0.00 60.65 57.70 2brx h LYS 160 Cb 1.14 0.05 -0.30 0.00 0.08 0.00 0.00 32.23 33.21 2brx h LYS 160 CO 0.84 1.07 -0.86 0.15 -0.57 0.00 0.00 179.45 180.08 2brx s LYS 161 N -2.39 1.90 0.27 3.15 -0.14 -1.26 -0.14 119.74 121.13 2brx s LYS 161 Ca -0.25 -0.77 -0.20 0.00 -1.36 0.00 0.00 55.97 53.40 2brx s LYS 161 Cb 0.04 -1.75 0.06 0.00 -1.68 0.00 0.00 37.83 34.50 2brx s LYS 161 CO 0.67 0.41 0.87 0.00 -0.76 0.00 0.00 175.35 176.54 2brx s MET 162 N -0.35 1.73 0.28 1.68 0.23 -1.04 -4.98 119.30 116.86 2brx s MET 162 Ca 0.04 -1.07 0.11 0.00 -1.03 0.00 0.00 55.69 53.75 2brx s MET 162 Cb -0.10 0.52 -0.05 0.00 -1.53 0.00 0.00 34.83 33.67 2brx s MET 162 CO 0.00 -0.81 -0.14 0.15 -2.03 0.00 0.00 175.02 172.20 2brx s LYS 163 N -2.72 1.86 0.27 3.16 1.02 -1.26 -1.52 119.74 120.56 2brx s LYS 163 Ca 0.16 -1.68 -0.00 0.00 0.02 0.00 0.00 55.97 54.47 2brx s LYS 163 Cb -0.04 -1.88 0.62 0.00 -0.52 0.00 0.00 37.83 36.01 2brx s LYS 163 CO 0.07 0.33 1.67 -1.35 -0.92 0.00 0.00 175.35 175.15 2brx h PRO 164 N 2.14 0.27 -0.41 -1.68 0.11 -1.89 0.47 132.00 131.01 2brx h PRO 164 Ca -0.41 -0.02 0.07 0.00 0.11 0.00 0.00 66.00 65.76 2brx h PRO 164 Cb 1.26 -0.06 -0.07 0.00 0.11 0.00 0.00 31.00 32.24 2brx h PRO 164 CO 0.61 0.18 0.01 0.93 -0.21 0.00 0.00 178.00 179.51 2brx h GLU 165 N 0.27 0.11 0.00 1.05 3.07 -1.95 0.10 114.58 117.23 2brx h GLU 165 Ca 0.50 -0.01 -0.04 0.00 -0.50 0.00 0.00 59.36 59.31 2brx h GLU 165 Cb 0.95 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.83 2brx h GLU 165 CO -0.58 0.07 -0.21 1.49 -1.40 0.00 0.00 179.01 178.38 2brx h GLU 166 N 0.12 0.00 -0.08 2.33 4.81 -1.35 -2.77 114.58 117.63 2brx h GLU 166 Ca 0.20 0.00 -0.17 0.00 -0.13 0.00 0.00 59.36 59.26 2brx h GLU 166 Cb 0.28 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.66 2brx h GLU 166 CO -0.33 0.21 -0.68 1.25 -0.73 0.00 0.00 179.01 178.73 2brx h LEU 167 N 0.00 0.39 -1.16 1.64 5.85 0.10 -3.06 115.31 119.08 2brx h LEU 167 Ca -0.00 -0.24 -0.09 0.00 0.84 0.00 0.00 57.88 58.39 2brx h LEU 167 Cb 0.43 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.34 2brx h LEU 167 CO 0.03 0.95 -0.40 -0.07 -0.34 0.00 0.00 178.44 178.61 2brx h LEU 168 N 0.23 0.03 0.11 2.25 3.38 -0.99 -2.53 115.31 117.79 2brx h LEU 168 Ca -0.02 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 2brx h LEU 168 Cb 1.23 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.97 2brx h LEU 168 CO 0.11 0.43 -0.05 -0.33 0.09 0.00 0.00 178.44 178.69 2brx h GLU 169 N 0.02 -0.14 -0.97 1.13 5.08 -1.49 -2.31 114.58 115.90 2brx h GLU 169 Ca -0.00 0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.41 2brx h GLU 169 Cb 0.73 0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.95 2brx h GLU 169 CO 0.05 0.22 0.63 0.82 -1.00 0.00 0.00 179.01 179.73 2brx h ILE 170 N -0.53 1.15 0.00 3.13 5.03 -1.49 0.19 117.51 124.99 2brx h ILE 170 Ca -0.02 -0.41 -0.05 0.00 -0.12 0.00 0.00 64.86 64.26 2brx h ILE 170 Cb 0.43 -0.16 -0.01 0.00 -3.03 0.00 0.00 36.82 34.05 2brx h ILE 170 CO 0.03 0.22 -0.22 0.58 -0.68 0.00 0.00 178.15 178.07 2brx h VAL 171 N 1.21 0.93 0.00 1.67 2.07 -1.44 -2.63 116.25 118.06 2brx h VAL 171 Ca 0.39 -0.83 -0.19 0.00 0.82 0.00 0.00 66.70 66.89 2brx h VAL 171 Cb 0.03 1.48 -0.03 0.00 -1.52 0.00 0.00 31.29 31.25 2brx h VAL 171 CO -0.13 0.22 -1.34 1.23 0.02 0.00 0.00 177.57 177.57 2brx h GLY 172 N 0.93 0.00 -0.04 2.17 0.00 -0.62 -3.48 103.07 102.03 2brx h GLY 172 Ca -0.00 0.00 0.10 0.00 0.00 0.00 0.00 47.33 47.43 2brx h GLY 172 CO 0.03 0.00 -0.13 0.07 0.00 0.00 0.00 176.54 176.51 2brx h LYS 173 N 0.00 -0.00 0.00 4.80 2.10 -0.29 -3.51 116.57 119.67 2brx h LYS 173 Ca -0.16 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.49 2brx h LYS 173 Cb 1.67 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.00 2brx h LYS 173 CO 0.06 -0.00 0.00 0.43 -2.00 0.00 0.00 179.45 177.94 2brx n SER 182 N -5.37 -0.23 0.00 7.07 7.64 -1.26 -5.02 113.62 116.44 2brx n SER 182 Ca 0.05 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.93 2brx n SER 182 Cb 0.27 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.47 2brx n SER 182 CO 0.00 0.00 0.00 0.55 -3.01 0.00 0.00 175.04 172.58 2brx n VAL 183 N 0.00 0.00 -4.03 0.44 3.14 -1.26 -4.34 118.33 112.27 2brx n VAL 183 Ca 0.00 0.00 -0.18 0.00 -2.96 0.00 0.00 64.34 61.20 2brx n VAL 183 Cb 0.00 0.00 -0.16 0.00 -1.06 0.00 0.00 33.84 32.62 2brx n VAL 183 CO 0.00 0.00 0.00 -0.63 -6.46 0.00 0.00 176.83 169.74 2brx s ILE 184 N 0.00 0.32 0.39 1.55 1.01 -1.26 -5.03 121.20 118.18 2brx s ILE 184 Ca 0.00 -0.01 -0.27 0.00 0.00 0.00 0.00 60.65 60.37 2brx s ILE 184 Cb 0.00 -0.38 -0.11 0.00 0.01 0.00 0.00 42.46 41.98 2brx s ILE 184 CO 0.00 0.17 1.34 -0.67 0.00 0.00 0.00 174.94 175.78 2brx n ASP 185 N 4.04 2.97 -0.18 3.58 2.03 -1.26 -4.83 116.55 122.90 2brx n ASP 185 Ca -0.26 1.17 -0.01 0.00 0.52 0.00 0.00 54.79 56.21 2brx n ASP 185 Cb 0.51 -1.53 0.09 0.00 -0.72 0.00 0.00 41.12 39.46 2brx n ASP 185 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 2brx h PRO 186 N 2.44 0.31 -0.67 -0.67 0.11 -1.93 -0.68 132.00 130.91 2brx h PRO 186 Ca -0.48 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.59 2brx h PRO 186 Cb 1.28 -0.07 -0.03 0.00 0.11 0.00 0.00 31.00 32.28 2brx h PRO 186 CO 0.62 0.21 0.36 1.25 -0.21 0.00 0.00 178.00 180.22 2brx h LEU 187 N 0.32 0.83 -0.63 2.35 5.85 -1.95 0.08 115.31 122.15 2brx h LEU 187 Ca 0.28 -0.07 -0.09 0.00 0.84 0.00 0.00 57.88 58.84 2brx h LEU 187 Cb 0.36 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.16 2brx h LEU 187 CO -0.32 0.67 0.04 0.00 -0.34 0.00 0.00 178.44 178.49 2brx h ALA 188 N 1.46 0.85 -0.29 1.25 0.00 -1.62 -2.16 119.26 118.74 2brx h ALA 188 Ca 0.24 -0.30 -0.10 0.00 0.00 0.00 0.00 54.91 54.74 2brx h ALA 188 Cb 0.03 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 2brx h ALA 188 CO -0.04 0.66 -0.25 0.00 0.00 0.00 0.00 179.25 179.63 2brx h ALA 189 N 1.01 1.02 -0.62 0.00 0.00 -0.32 -1.22 119.26 119.12 2brx h ALA 189 Ca 0.18 -0.36 -0.09 0.00 0.00 0.00 0.00 54.91 54.65 2brx h ALA 189 Cb 0.52 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 2brx h ALA 189 CO 0.03 0.59 0.05 -0.22 0.00 0.00 0.00 179.25 179.69 2brx h LYS 190 N 0.51 1.06 -0.38 0.00 3.64 -0.78 -1.50 116.57 119.12 2brx h LYS 190 Ca 0.07 -0.31 -0.15 0.00 -1.27 0.00 0.00 60.65 58.99 2brx h LYS 190 Cb 0.70 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.41 2brx h LYS 190 CO 0.05 1.01 -0.36 0.82 -2.27 0.00 0.00 179.45 178.71 2brx h ILE 191 N 0.96 1.27 -0.15 2.00 2.04 -1.15 -0.06 117.51 122.43 2brx h ILE 191 Ca 0.18 -1.53 -0.07 0.00 1.00 0.00 0.00 64.86 64.44 2brx h ILE 191 Cb 0.50 1.36 -0.01 0.00 -0.74 0.00 0.00 36.82 37.92 2brx h ILE 191 CO 0.02 0.51 -0.24 0.40 0.00 0.00 0.00 178.15 178.84 2brx h ILE 192 N 0.73 1.24 0.00 -0.67 2.04 -1.09 -3.00 117.51 116.76 2brx h ILE 192 Ca 0.07 -1.09 -0.00 0.00 1.00 0.00 0.00 64.86 64.83 2brx h ILE 192 Cb 0.93 1.39 0.00 0.00 -0.74 0.00 0.00 36.82 38.40 2brx h ILE 192 CO 0.09 0.34 -0.00 0.00 0.00 0.00 0.00 178.15 178.57 2brx h ALA 193 N 1.52 -0.00 -0.00 1.87 0.00 -1.06 -0.80 119.26 120.78 2brx h ALA 193 Ca 0.04 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.48 2brx h ALA 193 Cb 0.56 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 2brx h ALA 193 CO 0.04 -0.02 0.00 0.07 0.00 0.00 0.00 179.25 179.34 2brx h ARG 194 N -0.95 0.00 0.00 0.00 0.11 -1.03 -2.68 114.38 109.82 2brx h ARG 194 Ca -0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2brx h ARG 194 Cb 0.94 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.02 2brx h ARG 194 CO 0.00 0.00 -0.99 0.43 0.10 0.00 0.00 179.97 179.51 2brx n SER 195 N -3.25 2.48 -2.11 0.08 7.64 -1.14 -5.03 113.62 112.29 2brx n SER 195 Ca -0.03 -0.20 -0.08 0.00 1.01 0.00 0.00 58.87 59.56 2brx n SER 195 Cb 0.07 1.21 0.04 0.00 -1.01 0.00 0.00 64.21 64.53 2brx n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2brx n GLY 196 N 1.82 0.09 3.62 0.23 0.00 -0.39 -4.98 105.19 105.58 2brx n GLY 196 Ca -0.00 -0.21 -0.43 0.00 0.00 0.00 0.00 46.02 45.37 2brx n GLY 196 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2brx s ILE 197 N -3.17 4.46 -0.08 -0.61 1.01 -0.71 -4.76 121.20 117.34 2brx s ILE 197 Ca 0.03 1.48 -0.31 0.00 0.00 0.00 0.00 60.65 61.85 2brx s ILE 197 Cb -0.01 -4.44 -0.09 0.00 0.01 0.00 0.00 42.46 37.93 2brx s ILE 197 CO 0.34 -0.62 2.03 1.17 0.00 0.00 0.00 174.94 177.87 2brx n LYS 198 N 7.07 2.39 -4.83 2.79 4.81 -1.26 -4.76 118.16 124.37 2brx n LYS 198 Ca 0.11 0.82 -0.29 0.00 -0.87 0.00 0.00 58.31 58.08 2brx n LYS 198 Cb 0.48 -2.96 -0.15 0.00 0.02 0.00 0.00 35.03 32.42 2brx n LYS 198 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 2brx s THR 199 N 5.56 1.99 -0.12 3.15 2.01 0.34 -1.68 115.64 126.89 2brx s THR 199 Ca 0.94 -1.33 0.02 0.00 0.31 0.00 0.00 61.69 61.64 2brx s THR 199 Cb -0.49 -1.71 0.01 0.00 0.01 0.00 0.00 72.50 70.33 2brx s THR 199 CO 0.43 0.32 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.87 2brx s ILE 200 N -0.80 1.74 -0.27 1.82 1.01 0.32 -0.05 121.20 124.96 2brx s ILE 200 Ca 0.10 -0.79 -0.03 0.00 0.00 0.00 0.00 60.65 59.93 2brx s ILE 200 Cb -0.10 -1.56 0.03 0.00 0.01 0.00 0.00 42.46 40.84 2brx s ILE 200 CO 0.02 0.49 -0.00 -0.69 0.00 0.00 0.00 174.94 174.75 2brx s VAL 201 N 0.85 3.25 0.32 2.92 1.01 -0.01 0.06 120.40 128.79 2brx s VAL 201 Ca -0.08 -0.99 0.03 0.00 0.00 0.00 0.00 61.98 60.94 2brx s VAL 201 Cb -0.15 -2.70 -0.05 0.00 0.00 0.00 0.00 36.38 33.47 2brx s VAL 201 CO -0.00 0.10 0.08 0.27 0.00 0.00 0.00 175.10 175.55 2brx s ILE 202 N 1.37 0.92 0.41 2.22 -4.36 -0.58 -1.43 121.20 119.75 2brx s ILE 202 Ca -0.00 -2.00 0.06 0.00 -0.26 0.00 0.00 60.65 58.45 2brx s ILE 202 Cb -0.17 -2.68 0.06 0.00 1.25 0.00 0.00 42.46 40.92 2brx s ILE 202 CO -0.02 0.00 0.51 0.61 0.24 0.00 0.00 174.94 176.28 2brx n GLY 203 N -0.67 2.16 0.30 6.27 0.00 -1.17 -1.74 105.19 110.35 2brx n GLY 203 Ca -0.02 -2.22 0.13 0.00 0.00 0.00 0.00 46.02 43.92 2brx n GLY 203 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2brx h LYS 204 N 0.00 0.00 0.05 1.61 3.64 -1.85 -2.67 116.57 117.35 2brx h LYS 204 Ca -0.21 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.17 2brx h LYS 204 Cb 0.90 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.73 2brx h LYS 204 CO 0.31 0.00 -0.02 0.93 -2.27 0.00 0.00 179.45 178.39 2brx h GLU 205 N 0.00 -0.06 0.00 1.90 4.39 -1.94 -3.12 114.58 115.75 2brx h GLU 205 Ca 0.06 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.70 2brx h GLU 205 Cb 0.27 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.93 2brx h GLU 205 CO -0.00 0.27 -0.33 -0.44 -1.16 0.00 0.00 179.01 177.35 2brx h ASP 206 N -0.40 0.00 0.09 1.42 3.32 -1.91 -2.58 116.42 116.36 2brx h ASP 206 Ca -0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.04 2brx h ASP 206 Cb 0.36 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.91 2brx h ASP 206 CO 0.01 0.33 0.00 0.00 -1.72 0.00 0.00 179.24 177.86 2brx n ALA 207 N -2.43 1.77 1.28 3.45 0.00 -1.02 -2.13 120.51 121.43 2brx n ALA 207 Ca -0.02 -0.06 0.15 0.00 0.00 0.00 0.00 53.44 53.51 2brx n ALA 207 Cb 0.39 -1.17 0.70 0.00 0.00 0.00 0.00 19.45 19.37 2brx n ALA 207 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2brx n LYS 208 N -1.14 0.28 -3.00 0.00 5.02 -0.97 -4.14 118.16 114.22 2brx n LYS 208 Ca 0.06 -0.01 -0.17 0.00 -2.02 0.00 0.00 58.31 56.18 2brx n LYS 208 Cb 0.06 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 33.55 2brx n LYS 208 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2brx n ASP 209 N -1.35 -1.27 -0.10 4.39 -0.08 -0.90 -5.01 116.55 112.22 2brx n ASP 209 Ca 0.12 -2.93 -0.06 0.00 -1.51 0.00 0.00 54.79 50.41 2brx n ASP 209 Cb 0.28 0.47 0.02 0.00 2.34 0.00 0.00 41.12 44.23 2brx n ASP 209 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 2brx h LEU 210 N 4.14 0.05 -1.23 -2.67 3.38 -1.73 -2.55 115.31 114.70 2brx h LEU 210 Ca -0.01 0.05 0.44 0.00 0.09 0.00 0.00 57.88 58.46 2brx h LEU 210 Cb 0.95 0.06 -0.15 0.00 0.09 0.00 0.00 40.66 41.61 2brx h LEU 210 CO 0.38 0.06 0.74 0.15 0.09 0.00 0.00 178.44 179.86 2brx h PHE 211 N 0.22 0.65 0.00 1.13 3.57 -1.95 0.67 116.94 121.23 2brx h PHE 211 Ca 0.17 0.03 -0.14 0.00 3.53 0.00 0.00 57.97 61.55 2brx h PHE 211 Cb 0.18 -0.15 -0.03 0.00 2.79 0.00 0.00 35.95 38.74 2brx h PHE 211 CO -0.17 -0.35 -1.66 0.54 -2.23 0.00 0.00 178.31 174.44 2brx n ARG 212 N -4.95 0.64 -0.34 1.11 1.74 -1.05 -4.12 116.66 109.70 2brx n ARG 212 Ca 0.39 0.08 -0.02 0.00 -0.77 0.00 0.00 57.85 57.53 2brx n ARG 212 Cb 1.42 -1.70 0.13 0.00 -1.02 0.00 0.00 32.46 31.30 2brx n ARG 212 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 2brx h VAL 213 N 0.00 1.25 0.00 1.55 2.07 0.72 -0.39 116.25 121.45 2brx h VAL 213 Ca -0.17 -0.48 0.00 0.00 0.82 0.00 0.00 66.70 66.86 2brx h VAL 213 Cb 1.49 -0.10 0.00 0.00 -1.52 0.00 0.00 31.29 31.16 2brx h VAL 213 CO 0.03 0.25 0.00 2.30 0.02 0.00 0.00 177.57 180.16 2brx n ILE 214 N -4.38 0.43 1.42 4.57 -5.35 -0.74 -2.35 119.36 112.97 2brx n ILE 214 Ca 0.11 0.11 0.14 0.00 -0.27 0.00 0.00 62.75 62.83 2brx n ILE 214 Cb 0.03 -0.73 0.48 0.00 -1.74 0.00 0.00 39.64 37.69 2brx n ILE 214 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 2brx n LYS 215 N -1.45 1.39 -0.10 6.28 4.76 -0.20 -4.90 118.16 123.95 2brx n LYS 215 Ca 0.07 -0.81 0.00 0.00 -2.87 0.00 0.00 58.31 54.70 2brx n LYS 215 Cb 0.24 -1.48 0.00 0.00 -1.84 0.00 0.00 35.03 31.95 2brx n LYS 215 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2brx n GLY 216 N 1.23 0.58 3.44 0.72 0.00 -0.99 -5.02 105.19 105.15 2brx n GLY 216 Ca 0.17 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.75 2brx n GLY 216 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2brx s ASP 217 N -2.70 6.33 -0.05 1.61 2.15 -0.95 -4.94 116.67 118.13 2brx s ASP 217 Ca 0.00 -1.43 -0.30 0.00 0.43 0.00 0.00 52.55 51.25 2brx s ASP 217 Cb 0.00 -2.39 0.11 0.00 -0.30 0.00 0.00 42.92 40.34 2brx s ASP 217 CO 0.00 -1.26 1.02 -1.38 -0.17 0.00 0.00 175.17 173.38 2brx s HIS 218 N 3.36 -0.24 -0.71 -5.34 -3.43 -1.26 -3.68 115.29 104.00 2brx s HIS 218 Ca 0.24 0.11 0.01 0.00 -0.80 0.00 0.00 55.06 54.62 2brx s HIS 218 Cb -0.14 0.54 0.37 0.00 -1.43 0.00 0.00 32.58 31.92 2brx s HIS 218 CO 0.03 -0.45 1.62 0.09 -2.00 0.00 0.00 174.74 174.02 2brx n ASN 219 N -0.24 6.34 0.00 7.38 3.02 -1.26 -4.97 115.26 125.53 2brx n ASN 219 Ca -0.06 -3.77 0.00 0.00 -0.03 0.00 0.00 54.58 50.72 2brx n ASN 219 Cb 0.61 -0.84 0.00 0.00 -0.61 0.00 0.00 39.78 38.94 2brx n ASN 219 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2brx n GLY 220 N -0.44 5.07 3.41 7.41 0.00 -1.26 -4.78 105.19 114.59 2brx n GLY 220 Ca 0.46 -1.83 -0.33 0.00 0.00 0.00 0.00 46.02 44.33 2brx n GLY 220 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2brx s THR 221 N 1.98 2.86 -0.33 2.61 2.01 -0.52 -4.59 115.64 119.66 2brx s THR 221 Ca 0.00 -0.78 -0.02 0.00 0.31 0.00 0.00 61.69 61.21 2brx s THR 221 Cb 0.00 -2.13 0.07 0.00 0.01 0.00 0.00 72.50 70.45 2brx s THR 221 CO 0.00 0.57 0.06 -0.89 -0.69 0.00 0.00 174.62 173.67 2brx s THR 222 N -0.34 3.01 -0.38 -0.82 2.01 0.81 -0.83 115.64 119.10 2brx s THR 222 Ca 0.03 -1.64 -0.14 0.00 0.31 0.00 0.00 61.69 60.24 2brx s THR 222 Cb -0.13 -2.86 0.01 0.00 0.01 0.00 0.00 72.50 69.53 2brx s THR 222 CO 0.02 -0.30 0.29 -0.63 -0.69 0.00 0.00 174.62 173.31 2brx s ILE 223 N 1.19 5.26 -0.09 1.82 1.01 0.92 -2.49 121.20 128.82 2brx s ILE 223 Ca -0.00 -0.47 -0.27 0.00 0.00 0.00 0.00 60.65 59.91 2brx s ILE 223 Cb -0.20 -3.86 0.06 0.00 0.01 0.00 0.00 42.46 38.47 2brx s ILE 223 CO -0.02 -0.20 0.64 -1.83 0.00 0.00 0.00 174.94 173.52 2brx s GLU 224 N 1.73 0.95 0.00 2.79 -1.05 -0.58 -0.51 118.70 122.03 2brx s GLU 224 Ca 0.06 0.37 0.00 0.00 -0.15 0.00 0.00 54.97 55.25 2brx s GLU 224 Cb -0.18 0.45 0.00 0.00 -0.44 0.00 0.00 34.13 33.96 2brx s GLU 224 CO 0.10 -0.26 0.48 -2.30 0.95 0.00 0.00 175.26 174.24