#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hre h VAL 29 N 0.00 0.74 -0.21 0.00 3.04 -1.97 -1.08 116.25 116.77 3hre h VAL 29 Ca 0.00 -0.20 -0.00 0.00 -1.01 0.00 0.00 66.70 65.48 3hre h VAL 29 Cb 0.00 0.10 -0.01 0.00 -2.01 0.00 0.00 31.29 29.37 3hre h VAL 29 CO 0.00 0.11 0.12 1.56 -1.01 0.00 0.00 177.57 178.34 3hre h GLN 30 N 0.59 0.29 -0.60 4.17 1.08 -1.99 -1.06 115.11 117.59 3hre h GLN 30 Ca 0.43 -0.03 0.01 0.00 -1.45 0.00 0.00 58.65 57.61 3hre h GLN 30 Cb 0.59 -0.06 -0.03 0.00 -0.05 0.00 0.00 27.48 27.93 3hre h GLN 30 CO -0.35 0.27 0.39 1.96 -0.95 0.00 0.00 178.83 180.15 3hre h GLN 31 N 0.23 0.76 -0.58 1.46 4.20 -1.84 -1.59 115.11 117.75 3hre h GLN 31 Ca 0.07 -0.05 -0.04 0.00 0.06 0.00 0.00 58.65 58.70 3hre h GLN 31 Cb 0.07 -0.17 -0.03 0.00 0.30 0.00 0.00 27.48 27.65 3hre h GLN 31 CO -0.01 0.50 0.21 0.87 -0.67 0.00 0.00 178.83 179.73 3hre h LYS 32 N 0.78 0.87 -0.42 1.46 1.57 -0.96 -1.21 116.57 118.66 3hre h LYS 32 Ca 0.22 -0.17 -0.15 0.00 -1.87 0.00 0.00 60.65 58.68 3hre h LYS 32 Cb -0.06 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.10 3hre h LYS 32 CO -0.06 0.76 -0.33 -0.07 -0.57 0.00 0.00 179.45 179.19 3hre h LEU 33 N 0.80 1.01 -0.74 2.94 3.38 -1.00 -1.27 115.31 120.44 3hre h LEU 33 Ca 0.19 -0.44 -0.07 0.00 0.09 0.00 0.00 57.88 57.64 3hre h LEU 33 Cb 0.23 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 3hre h LEU 33 CO -0.01 1.24 0.12 0.00 0.09 0.00 0.00 178.44 179.88 3hre h ALA 34 N 0.80 0.95 -0.53 1.53 0.00 -1.22 -0.89 119.26 119.91 3hre h ALA 34 Ca 0.08 -0.26 -0.06 0.00 0.00 0.00 0.00 54.91 54.66 3hre h ALA 34 Cb 0.92 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 3hre h ALA 34 CO 0.09 0.66 0.09 0.00 0.00 0.00 0.00 179.25 180.08 3hre h ALA 35 N 1.10 0.70 -0.40 0.00 0.00 -1.10 -0.36 119.26 119.21 3hre h ALA 35 Ca 0.20 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 3hre h ALA 35 Cb 0.42 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 3hre h ALA 35 CO 0.01 0.44 0.20 1.25 0.00 0.00 0.00 179.25 181.15 3hre h LEU 36 N 0.76 0.51 -0.24 0.00 5.85 -0.95 -1.34 115.31 119.90 3hre h LEU 36 Ca 0.16 -0.11 0.02 0.00 0.84 0.00 0.00 57.88 58.79 3hre h LEU 36 Cb 0.40 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.28 3hre h LEU 36 CO 0.01 0.48 0.09 -0.08 -0.34 0.00 0.00 178.44 178.60 3hre h GLU 37 N 0.51 0.19 -0.59 1.25 4.81 -0.89 -0.29 114.58 119.57 3hre h GLU 37 Ca 0.14 -0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.40 3hre h GLU 37 Cb 0.10 -0.04 -0.05 0.00 0.63 0.00 0.00 28.75 29.38 3hre h GLU 37 CO -0.02 0.13 0.32 -0.22 -0.73 0.00 0.00 179.01 178.49 3hre h LYS 38 N 0.20 0.60 -0.79 1.92 3.64 -0.76 -1.89 116.57 119.48 3hre h LYS 38 Ca 0.11 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.43 3hre h LYS 38 Cb 0.07 -0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 31.72 3hre h LYS 38 CO -0.11 0.39 0.40 1.03 -2.27 0.00 0.00 179.45 178.90 3hre h SER 39 N 0.61 1.01 0.53 4.20 0.87 -0.82 -2.87 113.55 117.08 3hre h SER 39 Ca 0.26 -0.10 -0.04 0.00 -1.23 0.00 0.00 61.79 60.68 3hre h SER 39 Cb 0.14 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 61.84 3hre h SER 39 CO -0.16 0.83 -0.19 0.77 -0.53 0.00 0.00 176.83 177.55 3hre h SER 40 N 1.12 0.00 0.00 6.23 4.64 -0.28 -3.47 113.55 121.79 3hre h SER 40 Ca 0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.60 3hre h SER 40 Cb 0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 3hre h SER 40 CO -0.04 0.19 0.00 0.61 -0.87 0.00 0.00 176.83 176.73 3hre n GLY 41 N -0.40 1.71 0.00 -0.77 0.00 -0.91 -4.98 105.19 99.84 3hre n GLY 41 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 3hre n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hre n GLY 42 N -2.00 4.84 3.05 -0.02 0.00 -1.25 -4.61 105.19 105.21 3hre n GLY 42 Ca 0.00 -1.95 -0.31 0.00 0.00 0.00 0.00 46.02 43.76 3hre n GLY 42 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3hre s ARG 43 N 2.20 2.49 -0.10 1.61 3.52 0.12 -4.80 118.95 123.98 3hre s ARG 43 Ca 0.00 -0.74 -0.01 0.00 -0.13 0.00 0.00 55.73 54.84 3hre s ARG 43 Cb 0.00 -2.36 -0.03 0.00 -1.56 0.00 0.00 34.95 31.00 3hre s ARG 43 CO 0.00 -0.28 -0.04 -1.17 -0.81 0.00 0.00 175.30 173.00 3hre s LEU 44 N 1.38 3.29 -0.09 -0.88 2.96 -1.26 -1.55 118.68 122.52 3hre s LEU 44 Ca 0.03 -0.02 0.02 0.00 -0.22 0.00 0.00 54.13 53.94 3hre s LEU 44 Cb -0.14 -1.75 0.02 0.00 0.50 0.00 0.00 46.19 44.82 3hre s LEU 44 CO -0.11 0.30 -0.12 -0.83 -1.32 0.00 0.00 176.35 174.27 3hre s GLY 45 N -0.43 0.89 -0.00 7.98 0.00 0.27 -4.53 107.32 111.49 3hre s GLY 45 Ca 0.07 -0.55 0.03 0.00 0.00 0.00 0.00 44.72 44.26 3hre s GLY 45 CO 0.02 0.29 -0.10 0.14 0.00 0.00 0.00 173.10 173.46 3hre s VAL 46 N 0.98 0.75 -0.14 1.40 1.01 0.33 -0.37 120.40 124.36 3hre s VAL 46 Ca -0.08 -0.44 -0.04 0.00 0.00 0.00 0.00 61.98 61.42 3hre s VAL 46 Cb -0.15 -0.64 0.07 0.00 0.00 0.00 0.00 36.38 35.67 3hre s VAL 46 CO -0.00 0.19 0.25 0.00 0.00 0.00 0.00 175.10 175.53 3hre s ALA 47 N -0.27 -0.48 -0.05 5.51 0.00 -0.61 -1.17 121.76 124.69 3hre s ALA 47 Ca 0.03 0.75 0.04 0.00 0.00 0.00 0.00 51.96 52.78 3hre s ALA 47 Cb -0.04 -1.09 -0.03 0.00 0.00 0.00 0.00 23.12 21.97 3hre s ALA 47 CO -0.00 -0.77 -0.14 -1.17 0.00 0.00 0.00 175.76 173.67 3hre s LEU 48 N 2.39 2.72 -0.16 0.00 2.96 0.18 -0.96 118.68 125.82 3hre s LEU 48 Ca 0.03 -0.21 0.00 0.00 -0.22 0.00 0.00 54.13 53.74 3hre s LEU 48 Cb -0.13 -1.55 0.03 0.00 0.50 0.00 0.00 46.19 45.04 3hre s LEU 48 CO -0.09 0.34 -0.12 -0.63 -1.32 0.00 0.00 176.35 174.52 3hre s ILE 49 N -0.67 1.49 -0.44 6.68 1.01 -0.01 -2.38 121.20 126.87 3hre s ILE 49 Ca 0.10 -0.68 -0.16 0.00 0.00 0.00 0.00 60.65 59.92 3hre s ILE 49 Cb -0.11 -1.47 0.04 0.00 0.01 0.00 0.00 42.46 40.94 3hre s ILE 49 CO 0.01 0.36 0.39 -0.62 0.00 0.00 0.00 174.94 175.08 3hre s ASP 50 N 1.50 6.15 0.00 3.58 -1.08 -0.17 -1.12 116.67 125.52 3hre s ASP 50 Ca 0.03 -1.03 0.15 0.00 -0.52 0.00 0.00 52.55 51.18 3hre s ASP 50 Cb -0.14 -2.19 0.78 0.00 -1.46 0.00 0.00 42.92 39.91 3hre s ASP 50 CO -0.10 -0.59 1.41 0.35 0.52 0.00 0.00 175.17 176.77 3hre n THR 51 N 5.26 0.52 -0.12 1.71 -2.24 -0.68 -0.23 114.28 118.49 3hre n THR 51 Ca -0.11 0.13 -0.05 0.00 -2.27 0.00 0.00 64.05 61.75 3hre n THR 51 Cb 0.46 -0.88 0.14 0.00 -2.10 0.00 0.00 70.33 67.95 3hre n THR 51 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hre h ALA 52 N 2.74 1.07 0.00 6.98 0.00 -1.82 -3.37 119.26 124.85 3hre h ALA 52 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3hre h ALA 52 Cb 0.13 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3hre h ALA 52 CO 0.00 0.59 -0.05 -0.40 0.00 0.00 0.00 179.25 179.38 3hre n ASP 53 N -4.21 0.00 -0.66 0.00 5.68 -1.12 -5.02 116.55 111.21 3hre n ASP 53 Ca 0.03 -1.10 -0.09 0.00 -0.50 0.00 0.00 54.79 53.13 3hre n ASP 53 Cb 0.31 -0.02 -0.04 0.00 -1.14 0.00 0.00 41.12 40.23 3hre n ASP 53 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 3hre n ASN 54 N 0.00 -4.82 -4.83 -1.12 3.02 0.68 -5.00 115.26 103.20 3hre n ASN 54 Ca 0.00 0.21 -0.31 0.00 -0.03 0.00 0.00 54.58 54.45 3hre n ASN 54 Cb 0.52 -3.08 0.04 0.00 -0.61 0.00 0.00 39.78 36.65 3hre n ASN 54 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 3hre s THR 55 N -2.06 4.16 0.07 3.41 -4.23 -1.17 -4.78 115.64 111.04 3hre s THR 55 Ca 0.00 0.73 0.02 0.00 -1.18 0.00 0.00 61.69 61.26 3hre s THR 55 Cb 0.00 -3.50 -0.04 0.00 1.34 0.00 0.00 72.50 70.31 3hre s THR 55 CO 0.00 -0.88 -0.06 -1.10 -0.54 0.00 0.00 174.62 172.03 3hre s GLN 56 N -4.97 0.70 -0.09 3.99 -0.21 -1.26 -1.00 119.66 116.82 3hre s GLN 56 Ca 0.58 -1.13 -0.00 0.00 0.02 0.00 0.00 55.36 54.83 3hre s GLN 56 Cb -0.13 -0.18 0.02 0.00 1.00 0.00 0.00 33.01 33.72 3hre s GLN 56 CO 0.53 -0.01 -0.06 0.08 -2.12 0.00 0.00 175.29 173.71 3hre s VAL 57 N -2.91 0.82 -0.02 1.09 1.01 -1.00 -4.97 120.40 114.41 3hre s VAL 57 Ca 0.04 -0.20 0.04 0.00 0.00 0.00 0.00 61.98 61.87 3hre s VAL 57 Cb 0.00 -0.85 -0.01 0.00 0.00 0.00 0.00 36.38 35.52 3hre s VAL 57 CO -0.04 0.32 -0.16 -0.76 0.00 0.00 0.00 175.10 174.47 3hre s LEU 59 N 1.49 1.96 -0.14 3.92 1.43 -1.26 -0.64 118.68 125.44 3hre s LEU 59 Ca -0.00 -0.30 -0.04 0.00 -1.03 0.00 0.00 54.13 52.75 3hre s LEU 59 Cb -0.13 -0.86 0.05 0.00 0.03 0.00 0.00 46.19 45.28 3hre s LEU 59 CO -0.04 0.17 0.08 -0.47 0.23 0.00 0.00 176.35 176.31 3hre s TYR 60 N -0.17 0.20 -1.39 0.29 5.04 -0.32 -4.73 117.35 116.26 3hre s TYR 60 Ca 0.02 -0.18 -0.06 0.00 -2.44 0.00 0.00 57.07 54.41 3hre s TYR 60 Cb -0.08 -0.65 0.03 0.00 0.35 0.00 0.00 41.96 41.61 3hre s TYR 60 CO 0.00 -0.43 0.47 0.54 -1.34 0.00 0.00 175.55 174.80 3hre n ARG 61 N 5.27 -3.85 0.31 4.97 1.74 -1.26 -0.51 116.66 123.33 3hre n ARG 61 Ca -0.06 0.69 0.18 0.00 -0.77 0.00 0.00 57.85 57.89 3hre n ARG 61 Cb 0.49 -5.45 1.02 0.00 -1.02 0.00 0.00 32.46 27.50 3hre n ARG 61 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 3hre h GLY 62 N -1.01 0.00 -1.52 -0.13 0.00 -1.85 -2.57 103.07 95.99 3hre h GLY 62 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.87 3hre h GLY 62 CO 0.53 0.00 0.00 1.22 0.00 0.00 0.00 176.54 178.29 3hre n ASP 63 N -3.56 2.96 -4.86 0.19 8.00 -1.26 -1.04 116.55 116.99 3hre n ASP 63 Ca -0.03 -1.91 -0.33 0.00 0.71 0.00 0.00 54.79 53.23 3hre n ASP 63 Cb 0.10 -0.23 -0.06 0.00 -0.02 0.00 0.00 41.12 40.92 3hre n ASP 63 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3hre s GLU 64 N -1.04 3.93 0.28 -1.24 2.02 -0.97 -4.92 118.70 116.76 3hre s GLU 64 Ca 0.27 0.47 -0.25 0.00 0.02 0.00 0.00 54.97 55.48 3hre s GLU 64 Cb 0.15 -2.69 -0.09 0.00 0.10 0.00 0.00 34.13 31.59 3hre s GLU 64 CO 0.20 0.33 0.88 1.03 0.02 0.00 0.00 175.26 177.71 3hre s ARG 65 N -2.57 4.53 0.02 1.61 0.52 -1.26 -4.09 118.95 117.72 3hre s ARG 65 Ca 0.46 1.22 0.02 0.00 -0.52 0.00 0.00 55.73 56.91 3hre s ARG 65 Cb -0.12 -2.90 -0.02 0.00 0.52 0.00 0.00 34.95 32.43 3hre s ARG 65 CO 0.20 0.35 -0.06 -0.06 0.02 0.00 0.00 175.30 175.75 3hre s PHE 66 N -1.52 0.50 0.06 -0.53 0.40 -0.26 -4.95 117.98 111.69 3hre s PHE 66 Ca 0.46 -0.36 -0.31 0.00 -0.60 0.00 0.00 56.93 56.12 3hre s PHE 66 Cb -0.19 -0.31 -0.08 0.00 0.51 0.00 0.00 43.02 42.95 3hre s PHE 66 CO 0.24 -0.08 1.58 -2.14 0.70 0.00 0.00 175.22 175.53 3hre s PRO 67 N -1.07 4.22 0.21 0.24 0.02 -1.26 -2.38 135.00 134.97 3hre s PRO 67 Ca -0.07 2.24 0.01 0.00 0.02 0.00 0.00 61.00 63.20 3hre s PRO 67 Cb -0.07 -3.54 0.16 0.00 0.02 0.00 0.00 34.50 31.07 3hre s PRO 67 CO -0.00 -0.68 1.51 0.52 -0.33 0.00 0.00 177.00 178.03 3hre h MET 68 N 8.03 0.38 0.00 5.54 2.86 -1.62 -3.48 114.93 126.63 3hre h MET 68 Ca -0.42 -0.26 0.00 0.00 -2.06 0.00 0.00 59.70 56.96 3hre h MET 68 Cb 1.20 0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.90 3hre h MET 68 CO 0.92 0.87 0.00 0.00 1.06 0.00 0.00 176.91 179.76 3hre h GLY 70 N 0.00 0.00 2.00 0.00 0.00 -1.81 -1.79 103.07 101.47 3hre h GLY 70 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 3hre h GLY 70 CO 0.00 0.00 -0.00 -0.91 0.00 0.00 0.00 176.54 175.63 3hre h THR 71 N 0.00 0.01 0.00 4.70 1.35 -1.36 -0.98 112.91 116.62 3hre h THR 71 Ca 0.00 -0.27 0.00 0.00 -0.55 0.00 0.00 66.41 65.59 3hre h THR 71 Cb 0.10 1.27 0.00 0.00 -1.73 0.00 0.00 68.15 67.79 3hre h THR 71 CO 0.00 0.00 0.00 0.77 -0.25 0.00 0.00 175.52 176.04 3hre h SER 72 N 0.00 0.00 0.13 5.36 4.64 -1.48 -2.68 113.55 119.51 3hre h SER 72 Ca -0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 3hre h SER 72 Cb 0.27 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.36 3hre h SER 72 CO 0.00 0.00 -0.06 0.11 -0.87 0.00 0.00 176.83 176.01 3hre h LYS 73 N 0.00 0.00 -0.41 4.77 1.57 -1.39 -1.96 116.57 119.16 3hre h LYS 73 Ca 0.00 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.73 3hre h LYS 73 Cb 0.35 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.64 3hre h LYS 73 CO 0.00 0.06 0.08 0.28 -0.57 0.00 0.00 179.45 179.30 3hre h VAL 74 N 0.00 1.24 -0.65 0.50 2.07 -1.67 -0.79 116.25 116.95 3hre h VAL 74 Ca -0.00 -0.85 -0.06 0.00 0.82 0.00 0.00 66.70 66.61 3hre h VAL 74 Cb 0.14 1.01 -0.03 0.00 -1.52 0.00 0.00 31.29 30.89 3hre h VAL 74 CO 0.01 0.29 0.15 -0.03 0.02 0.00 0.00 177.57 178.02 3hre h MET 75 N 0.52 1.05 -0.27 1.57 1.85 -1.55 -0.23 114.93 117.87 3hre h MET 75 Ca 0.12 -0.25 -0.04 0.00 -0.61 0.00 0.00 59.70 58.92 3hre h MET 75 Cb 0.35 -0.14 -0.01 0.00 0.43 0.00 0.00 31.60 32.24 3hre h MET 75 CO 0.01 0.94 0.03 0.00 -0.40 0.00 0.00 176.91 177.49 3hre h ALA 76 N 1.06 0.35 -0.56 0.39 0.00 -1.35 -0.23 119.26 118.93 3hre h ALA 76 Ca 0.20 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 3hre h ALA 76 Cb 0.37 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 3hre h ALA 76 CO 0.00 0.06 0.20 0.00 0.00 0.00 0.00 179.25 179.51 3hre h ALA 77 N 0.85 0.73 -0.75 0.00 0.00 -1.03 -2.39 119.26 116.66 3hre h ALA 77 Ca 0.08 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 3hre h ALA 77 Cb 0.37 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 3hre h ALA 77 CO 0.01 0.36 0.39 0.00 0.00 0.00 0.00 179.25 180.01 3hre h ALA 78 N 1.06 1.27 -0.80 0.00 0.00 -0.92 -0.83 119.26 119.04 3hre h ALA 78 Ca 0.18 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 3hre h ALA 78 Cb 0.23 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 3hre h ALA 78 CO -0.01 0.58 0.33 0.00 0.00 0.00 0.00 179.25 180.15 3hre h ALA 79 N 1.38 1.08 -0.27 0.00 0.00 -0.70 0.11 119.26 120.85 3hre h ALA 79 Ca 0.26 -0.19 -0.16 0.00 0.00 0.00 0.00 54.91 54.83 3hre h ALA 79 Cb 0.06 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 3hre h ALA 79 CO -0.04 0.66 -0.47 0.28 0.00 0.00 0.00 179.25 179.68 3hre h VAL 80 N 1.16 1.29 -0.56 0.00 2.07 -1.03 -1.63 116.25 117.56 3hre h VAL 80 Ca 0.27 -1.67 -0.00 0.00 0.82 0.00 0.00 66.70 66.12 3hre h VAL 80 Cb 0.20 1.59 -0.03 0.00 -1.52 0.00 0.00 31.29 31.52 3hre h VAL 80 CO -0.02 0.53 0.34 -0.07 0.02 0.00 0.00 177.57 178.37 3hre h LEU 81 N 0.57 0.68 -0.74 2.57 3.38 -0.65 -0.67 115.31 120.45 3hre h LEU 81 Ca 0.03 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 3hre h LEU 81 Cb 1.03 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.57 3hre h LEU 81 CO 0.10 0.54 0.43 0.50 0.09 0.00 0.00 178.44 180.10 3hre h LYS 82 N 0.76 1.02 -0.99 1.13 1.63 -0.79 -2.07 116.57 117.25 3hre h LYS 82 Ca 0.20 -0.11 0.03 0.00 -0.85 0.00 0.00 60.65 59.92 3hre h LYS 82 Cb -0.01 -0.21 -0.05 0.00 -0.60 0.00 0.00 32.23 31.36 3hre h LYS 82 CO -0.04 0.74 0.65 1.96 -3.45 0.00 0.00 179.45 179.32 3hre h GLN 83 N 1.02 1.25 0.00 1.90 4.20 -0.61 -1.64 115.11 121.23 3hre h GLN 83 Ca 0.26 -0.08 0.00 0.00 0.06 0.00 0.00 58.65 58.90 3hre h GLN 83 Cb -0.00 -0.28 0.00 0.00 0.30 0.00 0.00 27.48 27.50 3hre h GLN 83 CO -0.05 0.83 0.00 -1.13 -0.67 0.00 0.00 178.83 177.81 3hre n SER 84 N -4.43 0.10 0.22 1.46 3.41 -0.32 -1.25 113.62 112.81 3hre n SER 84 Ca 0.13 0.53 0.09 0.00 -0.26 0.00 0.00 58.87 59.36 3hre n SER 84 Cb 0.06 -0.55 0.49 0.00 -0.26 0.00 0.00 64.21 63.95 3hre n SER 84 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3hre h GLU 85 N 0.00 0.00 0.00 4.33 5.08 -1.09 -3.31 114.58 119.60 3hre h GLU 85 Ca 0.00 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.24 3hre h GLU 85 Cb 0.16 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 3hre h GLU 85 CO 0.00 0.24 -1.46 0.25 -1.00 0.00 0.00 179.01 177.04 3hre n THR 86 N -3.48 0.46 -3.00 1.13 -2.24 -0.77 -4.74 114.28 101.63 3hre n THR 86 Ca -0.00 -0.18 -0.44 0.00 -2.27 0.00 0.00 64.05 61.16 3hre n THR 86 Cb 0.41 -0.78 -0.01 0.00 -2.10 0.00 0.00 70.33 67.85 3hre n THR 86 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3hre s GLN 87 N -2.16 3.99 0.46 -0.78 -0.21 -0.38 -4.90 119.66 115.67 3hre s GLN 87 Ca -0.11 -2.48 0.27 0.00 0.02 0.00 0.00 55.36 53.06 3hre s GLN 87 Cb 0.03 -4.95 1.31 0.00 1.00 0.00 0.00 33.01 30.40 3hre s GLN 87 CO 0.19 -1.69 1.76 0.87 -2.12 0.00 0.00 175.29 174.30 3hre h LYS 88 N 7.46 0.20 -0.56 2.91 1.57 -1.84 -1.12 116.57 125.19 3hre h LYS 88 Ca 0.26 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.03 3hre h LYS 88 Cb 0.91 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.17 3hre h LYS 88 CO 1.17 0.13 0.00 1.04 -0.57 0.00 0.00 179.45 181.22 3hre n GLN 89 N -4.46 2.82 -0.29 3.15 3.00 -1.26 -4.69 117.38 115.65 3hre n GLN 89 Ca 0.27 -2.41 0.06 0.00 -0.01 0.00 0.00 57.00 54.91 3hre n GLN 89 Cb 1.09 -1.45 0.20 0.00 0.00 0.00 0.00 30.24 30.09 3hre n GLN 89 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.06 178.31 3hre h LEU 90 N 3.29 0.51 -2.51 1.08 5.85 -1.52 -1.80 115.31 120.22 3hre h LEU 90 Ca 0.00 0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.80 3hre h LEU 90 Cb 0.89 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.93 3hre h LEU 90 CO 0.01 0.23 -0.00 -0.07 -0.34 0.00 0.00 178.44 178.27 3hre h LEU 91 N 0.62 0.00 -2.40 2.25 3.38 -1.84 -2.04 115.31 115.29 3hre h LEU 91 Ca 0.44 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.41 3hre h LEU 91 Cb 0.59 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.34 3hre h LEU 91 CO -0.34 0.00 0.00 0.59 0.09 0.00 0.00 178.44 178.78 3hre n ASN 92 N -3.11 3.56 -4.68 -0.43 3.02 -0.68 -0.89 115.26 112.05 3hre n ASN 92 Ca -0.02 -1.99 -0.42 0.00 -0.03 0.00 0.00 54.58 52.11 3hre n ASN 92 Cb 0.14 -0.30 -0.03 0.00 -0.61 0.00 0.00 39.78 38.98 3hre n ASN 92 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 3hre s GLN 93 N -1.39 4.23 0.31 3.52 0.74 -0.77 -4.81 119.66 121.49 3hre s GLN 93 Ca 0.41 2.03 -0.29 0.00 0.05 0.00 0.00 55.36 57.56 3hre s GLN 93 Cb 0.23 -3.73 -0.10 0.00 1.10 0.00 0.00 33.01 30.52 3hre s GLN 93 CO 0.32 -0.69 1.22 -2.14 -0.55 0.00 0.00 175.29 173.44 3hre s PRO 94 N 3.08 4.48 -0.09 1.67 0.02 -1.26 -2.36 135.00 140.53 3hre s PRO 94 Ca 0.67 2.04 0.03 0.00 0.02 0.00 0.00 61.00 63.75 3hre s PRO 94 Cb -0.32 -3.12 0.01 0.00 0.02 0.00 0.00 34.50 31.09 3hre s PRO 94 CO 0.26 -0.01 -0.18 0.08 -0.33 0.00 0.00 177.00 176.82 3hre s VAL 95 N -1.14 1.64 0.17 3.83 1.01 0.12 -4.93 120.40 121.10 3hre s VAL 95 Ca 0.47 -0.76 -0.31 0.00 0.00 0.00 0.00 61.98 61.39 3hre s VAL 95 Cb -0.36 -1.45 -0.09 0.00 0.00 0.00 0.00 36.38 34.48 3hre s VAL 95 CO 0.48 0.47 1.37 -1.61 0.00 0.00 0.00 175.10 175.81 3hre s GLU 96 N 0.63 4.33 -0.31 2.72 2.02 -1.26 -1.58 118.70 125.26 3hre s GLU 96 Ca -0.14 2.12 -0.05 0.00 0.02 0.00 0.00 54.97 56.92 3hre s GLU 96 Cb -0.16 -3.20 0.03 0.00 0.10 0.00 0.00 34.13 30.90 3hre s GLU 96 CO 0.04 -0.37 0.05 0.42 0.02 0.00 0.00 175.26 175.42 3hre s ILE 97 N 0.53 3.50 0.14 -1.63 -1.09 -0.35 -4.96 121.20 117.35 3hre s ILE 97 Ca 0.61 -1.08 0.03 0.00 -2.23 0.00 0.00 60.65 57.98 3hre s ILE 97 Cb -0.38 -2.92 -0.04 0.00 -1.58 0.00 0.00 42.46 37.55 3hre s ILE 97 CO 0.35 -0.05 0.23 -0.54 -1.23 0.00 0.00 174.94 173.70 3hre s LYS 98 N 1.38 3.26 0.38 2.79 1.02 -1.26 -0.04 119.74 127.27 3hre s LYS 98 Ca -0.01 -0.67 0.13 0.00 0.02 0.00 0.00 55.97 55.44 3hre s LYS 98 Cb -0.19 -2.87 0.96 0.00 -0.52 0.00 0.00 37.83 35.21 3hre s LYS 98 CO 0.01 0.52 1.85 -1.35 -0.92 0.00 0.00 175.35 175.46 3hre h PRO 99 N 2.34 0.52 0.00 -1.68 0.11 -1.98 -0.42 132.00 130.89 3hre h PRO 99 Ca -0.48 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3hre h PRO 99 Cb 1.19 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3hre h PRO 99 CO 0.68 0.35 0.00 0.00 -0.21 0.00 0.00 178.00 178.81 3hre h ALA 100 N 1.61 1.00 0.00 -0.75 0.00 -2.03 -2.76 119.26 116.33 3hre h ALA 100 Ca 0.48 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.37 3hre h ALA 100 Cb 0.99 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.78 3hre h ALA 100 CO -0.21 0.00 -0.09 -0.44 0.00 0.00 0.00 179.25 178.50 3hre h ASP 101 N 0.00 0.00 -3.06 0.00 3.32 -1.46 -3.45 116.42 111.77 3hre h ASP 101 Ca 0.00 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.52 3hre h ASP 101 Cb 0.35 0.00 0.05 0.00 0.22 0.00 0.00 39.33 39.96 3hre h ASP 101 CO 0.00 0.09 0.84 -0.76 -1.72 0.00 0.00 179.24 177.70 3hre s LEU 102 N -6.27 4.37 0.00 1.55 1.43 -1.05 -4.77 118.68 113.94 3hre s LEU 102 Ca 0.06 2.68 0.00 0.00 -1.03 0.00 0.00 54.13 55.83 3hre s LEU 102 Cb 0.06 -3.61 0.00 0.00 0.03 0.00 0.00 46.19 42.67 3hre s LEU 102 CO 0.67 -0.80 0.00 1.33 0.23 0.00 0.00 176.35 177.78 3hre n VAL 103 N 3.24 0.00 0.09 -1.59 0.24 -1.26 -5.05 118.33 114.00 3hre n VAL 103 Ca 0.11 0.00 -0.03 0.00 -2.04 0.00 0.00 64.34 62.38 3hre n VAL 103 Cb 0.39 0.00 -0.06 0.00 -1.47 0.00 0.00 33.84 32.70 3hre n VAL 103 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 3hre h ASN 104 N 0.00 0.00 -2.20 -1.34 -1.07 -1.94 -3.44 115.58 105.59 3hre h ASN 104 Ca 0.00 0.00 -0.30 0.00 0.07 0.00 0.00 56.30 56.07 3hre h ASN 104 Cb 0.00 0.00 -0.33 0.00 -2.07 0.00 0.00 38.32 35.92 3hre h ASN 104 CO 0.00 0.79 -0.61 -0.47 0.07 0.00 0.00 177.43 177.21 3hre s TYR 105 N -2.81 -0.48 -0.45 4.14 6.14 -1.26 -5.06 117.35 117.56 3hre s TYR 105 Ca 0.02 0.09 0.09 0.00 0.64 0.00 0.00 57.07 57.92 3hre s TYR 105 Cb 0.09 -0.36 0.35 0.00 0.42 0.00 0.00 41.96 42.46 3hre s TYR 105 CO 0.79 -0.81 0.81 0.09 0.64 0.00 0.00 175.55 177.08 3hre n ASN 106 N 5.32 2.20 0.28 4.32 3.02 -1.26 -1.09 115.26 128.05 3hre n ASN 106 Ca -0.03 -3.26 0.12 0.00 -0.03 0.00 0.00 54.58 51.37 3hre n ASN 106 Cb 0.48 -0.60 0.77 0.00 -0.61 0.00 0.00 39.78 39.82 3hre n ASN 106 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 3hre h PRO 107 N 2.99 0.00 0.00 3.52 0.13 -1.93 -1.92 132.00 134.78 3hre h PRO 107 Ca 0.11 0.00 -0.40 0.00 -0.87 0.00 0.00 66.00 64.84 3hre h PRO 107 Cb 0.80 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.87 3hre h PRO 107 CO 0.62 0.03 -2.37 -0.89 -0.23 0.00 0.00 178.00 175.15 3hre n ILE 108 N -4.10 1.35 0.09 -3.56 2.08 -1.26 -4.57 119.36 109.39 3hre n ILE 108 Ca -0.03 -0.39 0.10 0.00 0.56 0.00 0.00 62.75 62.99 3hre n ILE 108 Cb 0.11 -1.71 0.57 0.00 -0.75 0.00 0.00 39.64 37.86 3hre n ILE 108 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3hre h ALA 109 N -0.67 2.00 0.00 -1.39 0.00 -1.96 -2.13 119.26 115.12 3hre h ALA 109 Ca -0.60 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.28 3hre h ALA 109 Cb 1.61 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.35 3hre h ALA 109 CO -0.31 -0.06 -0.09 1.05 0.00 0.00 0.00 179.25 179.85 3hre h GLU 110 N 0.22 0.00 0.00 0.00 4.11 -1.59 -1.10 114.58 116.22 3hre h GLU 110 Ca 0.13 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.53 3hre h GLU 110 Cb 0.24 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.49 3hre h GLU 110 CO -0.02 0.09 -0.15 0.87 0.07 0.00 0.00 179.01 179.86 3hre h LYS 111 N 0.00 0.00 -0.35 1.06 1.57 -1.64 -3.25 116.57 113.96 3hre h LYS 111 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3hre h LYS 111 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.51 3hre h LYS 111 CO 0.01 0.15 0.00 0.72 -0.57 0.00 0.00 179.45 179.76 3hre n HIS 112 N -3.24 0.66 -1.81 -1.35 8.25 -0.44 -5.01 115.22 112.28 3hre n HIS 112 Ca 0.01 -0.61 -0.41 0.00 -0.26 0.00 0.00 57.72 56.45 3hre n HIS 112 Cb 0.44 -0.12 -0.00 0.00 1.12 0.00 0.00 29.99 31.44 3hre n HIS 112 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3hre s VAL 113 N -1.54 2.07 -1.08 1.59 0.11 -1.05 -0.96 120.40 119.53 3hre s VAL 113 Ca 0.30 0.07 0.00 0.00 -2.93 0.00 0.00 61.98 59.42 3hre s VAL 113 Cb 0.19 -3.04 0.00 0.00 -1.53 0.00 0.00 36.38 32.00 3hre s VAL 113 CO 0.15 0.02 0.00 0.59 -3.33 0.00 0.00 175.10 172.52 3hre n ASN 114 N 0.41 -4.26 0.00 3.54 3.02 0.94 -4.94 115.26 113.97 3hre n ASN 114 Ca 0.01 0.25 0.00 0.00 -0.03 0.00 0.00 54.58 54.82 3hre n ASN 114 Cb 0.39 -2.66 0.00 0.00 -0.61 0.00 0.00 39.78 36.91 3hre n ASN 114 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hre n GLY 115 N -1.69 5.11 3.25 7.41 0.00 -0.13 -5.00 105.19 114.13 3hre n GLY 115 Ca -0.10 -1.33 -0.14 0.00 0.00 0.00 0.00 46.02 44.45 3hre n GLY 115 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hre s THR 116 N -0.74 0.86 0.02 2.61 -4.23 -1.25 -1.21 115.64 111.70 3hre s THR 116 Ca 0.00 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.52 3hre s THR 116 Cb 0.00 -2.02 -0.02 0.00 1.34 0.00 0.00 72.50 71.81 3hre s THR 116 CO 0.00 -0.58 -0.05 -0.04 -0.54 0.00 0.00 174.62 173.41 3hre s MET 117 N -3.85 0.35 0.61 3.99 -1.94 -0.61 -4.90 119.30 112.95 3hre s MET 117 Ca 0.21 -0.51 -0.08 0.00 -1.71 0.00 0.00 55.69 53.60 3hre s MET 117 Cb 0.05 -0.11 0.00 0.00 2.01 0.00 0.00 34.83 36.78 3hre s MET 117 CO 0.02 0.01 0.95 0.95 -0.01 0.00 0.00 175.02 176.94 3hre s THR 118 N -1.04 3.80 0.42 2.05 -4.23 -1.26 0.16 115.64 115.55 3hre s THR 118 Ca -0.09 0.20 0.11 0.00 -1.18 0.00 0.00 61.69 60.72 3hre s THR 118 Cb -0.07 -3.53 0.21 0.00 1.34 0.00 0.00 72.50 70.45 3hre s THR 118 CO -0.00 -0.59 2.00 -0.07 -0.54 0.00 0.00 174.62 175.42 3hre h LEU 119 N -0.26 0.22 -0.33 4.79 3.38 -1.26 0.58 115.31 122.42 3hre h LEU 119 Ca -0.45 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 57.45 3hre h LEU 119 Cb 1.25 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.93 3hre h LEU 119 CO 0.62 0.28 0.06 0.00 0.09 0.00 0.00 178.44 179.49 3hre h ALA 120 N 1.75 0.44 -0.57 1.53 0.00 -1.32 0.34 119.26 121.43 3hre h ALA 120 Ca 0.06 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 3hre h ALA 120 Cb 0.20 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 3hre h ALA 120 CO 0.01 0.13 0.17 0.93 0.00 0.00 0.00 179.25 180.49 3hre h GLU 121 N 0.38 0.86 -0.35 0.00 5.08 -1.59 -0.59 114.58 118.38 3hre h GLU 121 Ca 0.10 -0.16 -0.16 0.00 -1.00 0.00 0.00 59.36 58.14 3hre h GLU 121 Cb 0.34 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 3hre h GLU 121 CO 0.01 0.74 -0.41 -0.07 -1.00 0.00 0.00 179.01 178.28 3hre h LEU 122 N 0.83 0.92 -0.28 1.33 3.38 -0.70 -1.10 115.31 119.70 3hre h LEU 122 Ca 0.19 -0.43 -0.02 0.00 0.09 0.00 0.00 57.88 57.71 3hre h LEU 122 Cb 0.25 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 3hre h LEU 122 CO -0.01 1.21 0.08 0.28 0.09 0.00 0.00 178.44 180.09 3hre h SER 123 N 0.70 0.40 -0.77 -0.43 0.02 -0.50 0.18 113.55 113.15 3hre h SER 123 Ca 0.05 -0.21 -0.04 0.00 -0.84 0.00 0.00 61.79 60.76 3hre h SER 123 Cb 0.99 -0.11 -0.03 0.00 0.14 0.00 0.00 62.40 63.39 3hre h SER 123 CO 0.10 0.50 0.33 0.00 -1.14 0.00 0.00 176.83 176.62 3hre h ALA 124 N 0.92 1.00 -0.31 3.77 0.00 -1.07 -0.49 119.26 123.08 3hre h ALA 124 Ca 0.09 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 3hre h ALA 124 Cb 0.24 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3hre h ALA 124 CO -0.00 0.60 0.06 0.00 0.00 0.00 0.00 179.25 179.91 3hre h ALA 125 N 1.17 0.41 -0.36 0.00 0.00 -0.99 0.19 119.26 119.68 3hre h ALA 125 Ca 0.26 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3hre h ALA 125 Cb 0.18 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3hre h ALA 125 CO -0.03 0.10 0.19 0.00 0.00 0.00 0.00 179.25 179.51 3hre h ALA 126 N 0.89 0.46 -0.01 0.00 0.00 -0.76 -1.80 119.26 118.05 3hre h ALA 126 Ca 0.09 -0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.81 3hre h ALA 126 Cb 0.33 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 17.99 3hre h ALA 126 CO 0.00 -0.01 -0.42 -0.07 0.00 0.00 0.00 179.25 178.76 3hre h LEU 127 N 0.45 0.38 0.00 0.00 3.38 -1.01 -2.19 115.31 116.32 3hre h LEU 127 Ca 0.13 -0.76 -0.02 0.00 0.09 0.00 0.00 57.88 57.32 3hre h LEU 127 Cb 0.07 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 3hre h LEU 127 CO -0.02 1.09 -0.74 1.56 0.09 0.00 0.00 178.44 180.42 3hre h GLN 128 N -0.28 0.00 0.00 1.13 4.20 -0.70 -3.37 115.11 116.08 3hre h GLN 128 Ca -0.05 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.66 3hre h GLN 128 Cb 1.15 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.93 3hre h GLN 128 CO 0.08 0.06 0.00 0.66 -0.67 0.00 0.00 178.83 178.96 3hre n TYR 129 N -2.85 0.00 -3.02 2.96 4.02 -0.72 -1.90 117.16 115.66 3hre n TYR 129 Ca 0.00 0.00 -0.22 0.00 -0.01 0.00 0.00 57.90 57.67 3hre n TYR 129 Cb 0.58 0.00 0.04 0.00 -0.02 0.00 0.00 39.34 39.94 3hre n TYR 129 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 3hre n SER 130 N -0.36 -6.17 -4.66 7.72 2.88 -0.82 -4.91 113.62 107.31 3hre n SER 130 Ca 0.00 -0.29 -0.42 0.00 -1.33 0.00 0.00 58.87 56.83 3hre n SER 130 Cb 0.02 -4.97 -0.03 0.00 -0.75 0.00 0.00 64.21 58.48 3hre n SER 130 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 3hre s ASP 131 N -2.72 6.63 0.24 -3.46 -1.08 -0.96 -4.91 116.67 110.43 3hre s ASP 131 Ca 0.31 2.21 0.05 0.00 -0.52 0.00 0.00 52.55 54.60 3hre s ASP 131 Cb -0.13 -2.53 0.28 0.00 -1.46 0.00 0.00 42.92 39.07 3hre s ASP 131 CO 0.38 -0.96 1.58 0.78 0.52 0.00 0.00 175.17 177.47 3hre h ASN 132 N 9.69 0.24 -0.39 -0.34 2.35 -1.47 -1.97 115.58 123.70 3hre h ASN 132 Ca -0.39 -0.13 -0.16 0.00 -0.55 0.00 0.00 56.30 55.06 3hre h ASN 132 Cb 1.18 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 39.47 3hre h ASN 132 CO 0.96 0.78 -0.37 0.74 -1.65 0.00 0.00 177.43 177.88 3hre h THR 133 N 0.16 1.27 -0.38 2.81 2.02 -1.86 -1.37 112.91 115.55 3hre h THR 133 Ca -0.00 -1.54 -0.01 0.00 0.77 0.00 0.00 66.41 65.63 3hre h THR 133 Cb 1.08 1.35 -0.02 0.00 -1.74 0.00 0.00 68.15 68.83 3hre h THR 133 CO 0.09 0.52 0.22 0.00 0.37 0.00 0.00 175.52 176.72 3hre h ALA 134 N 0.79 0.49 -0.72 6.16 0.00 -1.85 -1.30 119.26 122.83 3hre h ALA 134 Ca 0.07 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 54.94 3hre h ALA 134 Cb 0.97 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.56 3hre h ALA 134 CO 0.09 0.00 0.44 1.98 0.00 0.00 0.00 179.25 181.77 3hre h MET 135 N 0.49 0.83 -0.35 0.00 -1.53 -1.24 -1.65 114.93 111.49 3hre h MET 135 Ca 0.14 -0.05 -0.02 0.00 -3.44 0.00 0.00 59.70 56.33 3hre h MET 135 Cb 0.04 -0.19 -0.02 0.00 -0.55 0.00 0.00 31.60 30.88 3hre h MET 135 CO -0.02 0.55 0.14 -0.91 0.14 0.00 0.00 176.91 176.81 3hre h ASN 136 N 0.86 0.43 0.12 1.39 2.35 -0.56 0.02 115.58 120.20 3hre h ASN 136 Ca 0.29 -0.04 -0.13 0.00 -0.55 0.00 0.00 56.30 55.88 3hre h ASN 136 Cb 0.05 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.30 3hre h ASN 136 CO -0.12 0.39 -0.45 0.11 -1.65 0.00 0.00 177.43 175.71 3hre h LYS 137 N 0.48 0.40 -0.22 0.81 1.79 -0.38 -0.30 116.57 119.15 3hre h LYS 137 Ca 0.12 -0.21 -0.04 0.00 -2.18 0.00 0.00 60.65 58.34 3hre h LYS 137 Cb 0.09 0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 30.74 3hre h LYS 137 CO -0.01 0.77 -0.01 -0.07 -1.08 0.00 0.00 179.45 179.05 3hre h LEU 138 N 0.32 0.39 -0.53 2.94 3.38 -0.47 -0.95 115.31 120.40 3hre h LEU 138 Ca 0.02 -0.32 0.02 0.00 0.09 0.00 0.00 57.88 57.69 3hre h LEU 138 Cb 0.92 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.53 3hre h LEU 138 CO 0.08 0.62 0.32 0.40 0.09 0.00 0.00 178.44 179.95 3hre h ILE 139 N 0.15 1.06 -0.83 1.22 2.04 -0.85 -2.28 117.51 118.02 3hre h ILE 139 Ca 0.06 -0.22 -0.03 0.00 1.00 0.00 0.00 64.86 65.67 3hre h ILE 139 Cb 0.43 0.37 -0.04 0.00 -0.74 0.00 0.00 36.82 36.84 3hre h ILE 139 CO 0.01 0.12 0.40 0.00 0.00 0.00 0.00 178.15 178.68 3hre h ALA 140 N 1.23 1.07 -0.54 1.87 0.00 -0.92 -0.20 119.26 121.78 3hre h ALA 140 Ca 0.21 -0.16 0.04 0.00 0.00 0.00 0.00 54.91 55.00 3hre h ALA 140 Cb 0.01 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.44 3hre h ALA 140 CO -0.09 0.63 0.36 0.37 0.00 0.00 0.00 179.25 180.52 3hre h GLN 141 N 1.18 0.58 -0.03 0.00 5.75 -0.71 -0.89 115.11 120.99 3hre h GLN 141 Ca 0.28 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.75 3hre h GLN 141 Cb 0.12 -0.13 0.00 0.00 1.07 0.00 0.00 27.48 28.54 3hre h GLN 141 CO -0.04 0.39 0.00 1.28 -2.65 0.00 0.00 178.83 177.81 3hre n LEU 142 N -4.47 0.84 0.00 -2.39 4.77 -0.78 -4.91 117.00 110.06 3hre n LEU 142 Ca 0.06 -0.30 0.00 0.00 -0.03 0.00 0.00 56.01 55.74 3hre n LEU 142 Cb 0.15 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 3hre n LEU 142 CO 0.35 0.15 0.00 0.61 -1.33 0.00 0.00 177.39 177.17 3hre n GLY 143 N 1.06 0.67 0.00 -0.72 0.00 -0.34 -4.03 105.19 101.82 3hre n GLY 143 Ca 0.20 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.98 3hre n GLY 143 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hre n GLY 144 N -2.62 2.09 0.39 -0.02 0.00 -0.16 -4.67 105.19 100.21 3hre n GLY 144 Ca 0.00 -2.17 0.17 0.00 0.00 0.00 0.00 46.02 44.02 3hre n GLY 144 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3hre h PRO 145 N 0.00 0.41 0.00 1.61 0.11 -1.85 0.29 132.00 132.57 3hre h PRO 145 Ca 0.00 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.09 3hre h PRO 145 Cb 0.00 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 31.02 3hre h PRO 145 CO 0.00 0.27 -0.00 0.78 -0.21 0.00 0.00 178.00 178.84 3hre h GLY 146 N 0.42 0.00 1.84 -0.55 0.00 -1.86 -1.05 103.07 101.87 3hre h GLY 146 Ca 0.43 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.66 3hre h GLY 146 CO -0.15 0.00 -0.38 -1.33 0.00 0.00 0.00 176.54 174.68 3hre h GLY 147 N 0.00 0.19 0.92 4.60 0.00 -1.07 0.61 103.07 108.33 3hre h GLY 147 Ca -0.00 -0.17 -0.15 0.00 0.00 0.00 0.00 47.33 47.01 3hre h GLY 147 CO 0.00 0.16 -0.52 -2.08 0.00 0.00 0.00 176.54 174.10 3hre h VAL 148 N 0.15 1.35 -0.78 4.60 2.07 -1.24 -2.65 116.25 119.75 3hre h VAL 148 Ca 0.02 -1.81 -0.04 0.00 0.82 0.00 0.00 66.70 65.68 3hre h VAL 148 Cb 0.74 2.13 -0.03 0.00 -1.52 0.00 0.00 31.29 32.60 3hre h VAL 148 CO 0.06 0.55 0.32 0.74 0.02 0.00 0.00 177.57 179.26 3hre h THR 149 N 0.19 1.25 -0.65 2.57 2.02 -1.21 -1.85 112.91 115.23 3hre h THR 149 Ca -0.03 -0.78 -0.02 0.00 0.77 0.00 0.00 66.41 66.34 3hre h THR 149 Cb 1.15 0.31 -0.03 0.00 -1.74 0.00 0.00 68.15 67.84 3hre h THR 149 CO 0.11 0.32 0.31 0.00 0.37 0.00 0.00 175.52 176.63 3hre h ALA 150 N 1.23 1.33 -0.45 6.16 0.00 -0.84 -0.42 119.26 126.27 3hre h ALA 150 Ca 0.26 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 3hre h ALA 150 Cb 0.19 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 3hre h ALA 150 CO -0.02 0.52 -0.01 0.35 0.00 0.00 0.00 179.25 180.09 3hre h PHE 151 N 0.91 0.88 -0.48 0.00 3.57 -1.07 -0.73 116.94 120.04 3hre h PHE 151 Ca 0.23 -0.16 0.06 0.00 3.53 0.00 0.00 57.97 61.63 3hre h PHE 151 Cb 0.10 -0.23 -0.05 0.00 2.79 0.00 0.00 35.95 38.56 3hre h PHE 151 CO 0.01 0.86 0.17 0.00 -2.23 0.00 0.00 178.31 177.12 3hre h ALA 152 N 0.90 0.58 -0.62 2.41 0.00 -0.53 -1.23 119.26 120.78 3hre h ALA 152 Ca 0.13 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 3hre h ALA 152 Cb 0.52 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 3hre h ALA 152 CO 0.03 -0.22 0.23 0.00 0.00 0.00 0.00 179.25 179.28 3hre h ARG 153 N 0.35 0.91 0.00 0.00 2.47 -0.80 -0.56 114.38 116.75 3hre h ARG 153 Ca 0.23 -0.15 -0.01 0.00 -1.26 0.00 0.00 59.98 58.78 3hre h ARG 153 Cb 0.23 -0.15 -0.00 0.00 -1.65 0.00 0.00 29.97 28.39 3hre h ARG 153 CO -0.23 0.76 -0.06 0.00 0.56 0.00 0.00 179.97 181.00 3hre h ALA 154 N 1.36 1.20 -0.54 0.04 0.00 0.04 -2.14 119.26 119.22 3hre h ALA 154 Ca 0.21 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3hre h ALA 154 Cb 0.20 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3hre h ALA 154 CO -0.02 0.07 0.00 0.44 0.00 0.00 0.00 179.25 179.74 3hre n ILE 155 N -3.44 1.52 -0.53 0.00 -5.35 -0.84 -4.96 119.36 105.77 3hre n ILE 155 Ca -0.02 -1.20 0.00 0.00 -0.27 0.00 0.00 62.75 61.26 3hre n ILE 155 Cb 0.19 0.25 0.00 0.00 -1.74 0.00 0.00 39.64 38.33 3hre n ILE 155 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3hre n GLY 156 N 0.85 0.74 3.44 3.28 0.00 -0.81 -5.03 105.19 107.65 3hre n GLY 156 Ca 0.21 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.79 3hre n GLY 156 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3hre s ASP 157 N -2.07 6.20 0.00 1.61 -1.08 -0.27 -4.90 116.67 116.16 3hre s ASP 157 Ca 0.00 -0.99 0.23 0.00 -0.52 0.00 0.00 52.55 51.27 3hre s ASP 157 Cb 0.00 -2.25 0.53 0.00 -1.46 0.00 0.00 42.92 39.73 3hre s ASP 157 CO 0.00 -0.79 1.45 -0.62 0.52 0.00 0.00 175.17 175.73 3hre n GLU 158 N 5.84 2.18 -0.12 4.34 1.02 -1.26 -3.19 120.64 129.45 3hre n GLU 158 Ca -0.08 -1.76 -0.24 0.00 -0.02 0.00 0.00 57.16 55.06 3hre n GLU 158 Cb 0.45 -1.47 -0.10 0.00 -0.02 0.00 0.00 31.44 30.31 3hre n GLU 158 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 3hre n THR 159 N 1.02 1.37 -1.60 2.62 -1.04 -1.26 -5.01 114.28 110.37 3hre n THR 159 Ca 0.17 -0.41 -0.43 0.00 -2.04 0.00 0.00 64.05 61.35 3hre n THR 159 Cb 0.50 -1.68 -0.00 0.00 -1.82 0.00 0.00 70.33 67.34 3hre n THR 159 CO 0.00 0.00 0.00 0.33 -0.64 0.00 0.00 175.07 174.76 3hre n PHE 160 N -3.82 1.28 -3.70 -1.42 -0.00 -1.26 -4.73 117.46 103.80 3hre n PHE 160 Ca -0.47 0.63 -0.11 0.00 -0.00 0.00 0.00 57.45 57.50 3hre n PHE 160 Cb 0.88 -2.25 -0.12 0.00 -0.00 0.00 0.00 39.48 38.00 3hre n PHE 160 CO 0.00 0.00 0.00 -0.98 -0.00 0.00 0.00 176.76 175.78 3hre s ARG 161 N -1.75 0.33 -0.16 -4.13 1.70 -0.98 -4.93 118.95 109.04 3hre s ARG 161 Ca 0.60 0.71 -0.01 0.00 -0.47 0.00 0.00 55.73 56.56 3hre s ARG 161 Cb -0.63 -0.05 -0.01 0.00 -0.57 0.00 0.00 34.95 33.69 3hre s ARG 161 CO 0.59 -0.16 -0.13 -1.17 -1.08 0.00 0.00 175.30 173.35 3hre s LEU 162 N 1.40 2.62 -0.02 -1.89 2.96 -1.26 -2.87 118.68 119.62 3hre s LEU 162 Ca -0.09 -0.41 0.02 0.00 -0.22 0.00 0.00 54.13 53.43 3hre s LEU 162 Cb -0.09 -1.61 -0.03 0.00 0.50 0.00 0.00 46.19 44.96 3hre s LEU 162 CO -0.11 0.10 0.02 0.47 -1.32 0.00 0.00 176.35 175.50 3hre n ASP 163 N 3.99 4.48 -4.37 3.68 8.00 -1.26 -4.06 116.55 127.01 3hre n ASP 163 Ca -0.19 0.00 -0.19 0.00 0.71 0.00 0.00 54.79 55.13 3hre n ASP 163 Cb 0.52 0.70 -0.10 0.00 -0.02 0.00 0.00 41.12 42.22 3hre n ASP 163 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 3hre s ARG 164 N -2.08 1.49 0.54 -1.24 0.52 -1.26 -4.82 118.95 112.10 3hre s ARG 164 Ca -0.01 -1.80 0.02 0.00 -0.52 0.00 0.00 55.73 53.42 3hre s ARG 164 Cb 0.01 -0.57 0.10 0.00 0.52 0.00 0.00 34.95 35.01 3hre s ARG 164 CO 0.09 -0.21 0.74 0.25 0.02 0.00 0.00 175.30 176.19 3hre n THR 165 N -0.54 0.00 -3.01 0.02 -2.24 -1.26 -4.66 114.28 102.59 3hre n THR 165 Ca -0.02 -1.34 -0.38 0.00 -2.27 0.00 0.00 64.05 60.03 3hre n THR 165 Cb 0.66 -0.87 -0.06 0.00 -2.10 0.00 0.00 70.33 67.96 3hre n THR 165 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3hre s GLU 166 N -4.39 4.47 0.00 -0.78 0.41 -1.26 -1.52 118.70 115.63 3hre s GLU 166 Ca 0.51 1.08 0.25 0.00 -0.41 0.00 0.00 54.97 56.40 3hre s GLU 166 Cb -0.03 -3.13 0.35 0.00 -1.78 0.00 0.00 34.13 29.54 3hre s GLU 166 CO 0.33 0.51 1.34 -0.35 -0.49 0.00 0.00 175.26 176.60 3hre n PRO 167 N 1.30 1.85 0.28 0.39 -0.04 -1.26 -4.93 135.00 132.59 3hre n PRO 167 Ca -0.04 -1.44 0.19 0.00 -0.04 0.00 0.00 63.50 62.16 3hre n PRO 167 Cb 0.49 -1.47 0.91 0.00 -0.04 0.00 0.00 33.50 33.40 3hre n PRO 167 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 3hre h THR 168 N 3.52 0.00 0.00 0.52 1.35 -1.88 -2.44 112.91 113.99 3hre h THR 168 Ca 0.00 -0.18 0.00 0.00 -0.55 0.00 0.00 66.41 65.68 3hre h THR 168 Cb 0.82 1.10 0.00 0.00 -1.73 0.00 0.00 68.15 68.33 3hre h THR 168 CO 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.27 3hre n LEU 169 N -2.91 0.00 -1.25 3.87 -0.00 -0.57 -2.42 117.00 113.72 3hre n LEU 169 Ca -0.01 0.48 0.10 0.00 -0.00 0.00 0.00 56.01 56.58 3hre n LEU 169 Cb 0.16 -0.48 0.29 0.00 -0.00 0.00 0.00 43.42 43.39 3hre n LEU 169 CO 0.21 -0.32 0.75 0.59 -0.00 0.00 0.00 177.39 178.62 3hre n ASN 170 N -1.48 3.64 -0.01 1.45 3.02 -0.92 -4.54 115.26 116.43 3hre n ASN 170 Ca 0.03 -2.07 0.10 0.00 -0.03 0.00 0.00 54.58 52.60 3hre n ASN 170 Cb 0.11 -0.46 0.51 0.00 -0.61 0.00 0.00 39.78 39.34 3hre n ASN 170 CO 0.00 0.00 0.00 0.71 -2.62 0.00 0.00 177.26 175.35 3hre h THR 171 N 3.79 0.95 -6.00 3.41 1.35 -1.69 -1.80 112.91 112.92 3hre h THR 171 Ca 0.00 -0.12 -0.45 0.00 -0.55 0.00 0.00 66.41 65.28 3hre h THR 171 Cb 0.95 0.56 -0.08 0.00 -1.73 0.00 0.00 68.15 67.85 3hre h THR 171 CO 0.04 0.07 -0.70 0.00 -0.25 0.00 0.00 175.52 174.68 3hre n ALA 172 N -2.52 -1.18 -2.22 6.62 0.00 -1.26 -4.45 120.51 115.50 3hre n ALA 172 Ca 0.06 0.12 -0.42 0.00 0.00 0.00 0.00 53.44 53.20 3hre n ALA 172 Cb 0.27 -3.69 -0.03 0.00 0.00 0.00 0.00 19.45 16.00 3hre n ALA 172 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3hre s ILE 173 N -3.16 3.60 0.20 0.00 1.01 -1.26 -4.74 121.20 116.85 3hre s ILE 173 Ca 0.58 1.07 -0.32 0.00 0.00 0.00 0.00 60.65 61.97 3hre s ILE 173 Cb -0.30 -3.69 -0.13 0.00 0.01 0.00 0.00 42.46 38.35 3hre s ILE 173 CO 0.71 0.03 1.54 -2.65 0.00 0.00 0.00 174.94 174.57 3hre n PRO 174 N 4.78 2.22 0.00 2.79 -0.02 -1.26 -1.53 135.00 141.98 3hre n PRO 174 Ca 0.12 0.80 0.00 0.00 -2.02 0.00 0.00 63.50 62.40 3hre n PRO 174 Cb 0.43 -2.54 0.00 0.00 -0.02 0.00 0.00 33.50 31.37 3hre n PRO 174 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hre n GLY 175 N 2.94 2.26 3.65 -1.23 0.00 -1.26 -5.02 105.19 106.53 3hre n GLY 175 Ca 0.14 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.73 3hre n GLY 175 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3hre s ASP 176 N -2.89 7.00 0.00 1.61 -1.08 -0.58 -4.92 116.67 115.81 3hre s ASP 176 Ca 0.00 1.22 0.27 0.00 -0.52 0.00 0.00 52.55 53.52 3hre s ASP 176 Cb 0.00 -2.54 1.18 0.00 -1.46 0.00 0.00 42.92 40.10 3hre s ASP 176 CO 0.00 -0.79 1.87 -0.81 0.52 0.00 0.00 175.17 175.97 3hre n PRO 177 N 6.62 0.04 -1.89 4.34 -0.04 -1.26 -4.86 135.00 137.95 3hre n PRO 177 Ca 0.12 0.03 -0.41 0.00 -0.04 0.00 0.00 63.50 63.20 3hre n PRO 177 Cb 0.47 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.41 3hre n PRO 177 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 3hre s ARG 178 N -2.96 4.18 -1.41 0.54 0.52 -1.26 -3.15 118.95 115.42 3hre s ARG 178 Ca 0.14 2.46 -0.08 0.00 -0.52 0.00 0.00 55.73 57.73 3hre s ARG 178 Cb 0.18 -3.02 0.04 0.00 0.52 0.00 0.00 34.95 32.67 3hre s ARG 178 CO 0.49 -0.46 0.99 -0.25 0.02 0.00 0.00 175.30 176.08 3hre n ASP 179 N 1.03 -4.24 -4.45 0.23 8.00 -1.17 -4.90 116.55 111.04 3hre n ASP 179 Ca 0.03 -0.71 -0.22 0.00 0.71 0.00 0.00 54.79 54.60 3hre n ASP 179 Cb 0.40 -4.36 -0.11 0.00 -0.02 0.00 0.00 41.12 37.03 3hre n ASP 179 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3hre s THR 180 N -3.39 1.44 0.34 -3.53 -4.23 -1.14 -1.60 115.64 103.54 3hre s THR 180 Ca 0.45 -2.05 -0.15 0.00 -1.18 0.00 0.00 61.69 58.75 3hre s THR 180 Cb -0.21 -2.63 0.04 0.00 1.34 0.00 0.00 72.50 71.03 3hre s THR 180 CO 0.79 -0.15 0.71 0.28 -0.54 0.00 0.00 174.62 175.71 3hre s THR 181 N -3.13 0.00 0.10 3.99 -1.32 -1.00 -2.31 115.64 111.96 3hre s THR 181 Ca 0.33 -1.10 0.03 0.00 -1.21 0.00 0.00 61.69 59.73 3hre s THR 181 Cb 0.07 -2.58 -0.04 0.00 -1.51 0.00 0.00 72.50 68.43 3hre s THR 181 CO 0.14 0.00 0.13 0.42 -2.21 0.00 0.00 174.62 173.09 3hre s THR 182 N -2.92 4.73 0.26 5.08 -4.23 -1.26 -1.10 115.64 116.19 3hre s THR 182 Ca 0.17 -0.75 -0.02 0.00 -1.18 0.00 0.00 61.69 59.91 3hre s THR 182 Cb -0.04 -3.32 0.25 0.00 1.34 0.00 0.00 72.50 70.73 3hre s THR 182 CO 0.11 0.07 1.83 -0.65 -0.54 0.00 0.00 174.62 175.45 3hre h PRO 183 N 3.03 0.90 -0.17 3.99 0.11 -1.69 -1.04 132.00 137.14 3hre h PRO 183 Ca -0.47 -0.05 0.01 0.00 0.11 0.00 0.00 66.00 65.60 3hre h PRO 183 Cb 1.17 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 32.06 3hre h PRO 183 CO 0.67 0.60 0.09 -0.09 -0.21 0.00 0.00 178.00 179.06 3hre h ARG 184 N 0.93 0.19 -0.56 1.05 2.43 -1.40 -0.47 114.38 116.54 3hre h ARG 184 Ca 0.44 -0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.55 3hre h ARG 184 Cb 0.37 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.86 3hre h ARG 184 CO -0.24 0.12 0.16 0.00 -1.51 0.00 0.00 179.97 178.50 3hre h ALA 185 N 1.08 0.74 -0.26 2.80 0.00 -1.71 -2.02 119.26 119.88 3hre h ALA 185 Ca 0.07 -0.21 -0.11 0.00 0.00 0.00 0.00 54.91 54.66 3hre h ALA 185 Cb 0.00 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 3hre h ALA 185 CO -0.04 0.42 -0.31 1.98 0.00 0.00 0.00 179.25 181.30 3hre h MET 186 N 0.79 0.54 -0.37 0.00 1.85 -1.01 -1.01 114.93 115.73 3hre h MET 186 Ca 0.18 -0.23 -0.07 0.00 -0.61 0.00 0.00 59.70 58.96 3hre h MET 186 Cb 0.31 -0.02 -0.01 0.00 0.43 0.00 0.00 31.60 32.31 3hre h MET 186 CO -0.00 0.79 -0.05 0.00 -0.40 0.00 0.00 176.91 177.25 3hre h ALA 187 N 1.20 0.50 -0.35 0.39 0.00 -0.96 0.99 119.26 121.03 3hre h ALA 187 Ca 0.06 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.68 3hre h ALA 187 Cb 0.77 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 3hre h ALA 187 CO 0.06 0.32 0.21 0.37 0.00 0.00 0.00 179.25 180.21 3hre h GLN 188 N 0.49 0.48 -0.40 0.00 5.75 -1.20 -0.70 115.11 119.53 3hre h GLN 188 Ca 0.10 -0.05 -0.03 0.00 -0.15 0.00 0.00 58.65 58.52 3hre h GLN 188 Cb 0.54 -0.10 -0.02 0.00 1.07 0.00 0.00 27.48 28.97 3hre h GLN 188 CO 0.03 0.37 0.13 1.15 -2.65 0.00 0.00 178.83 177.86 3hre h THR 189 N 0.45 1.21 -0.62 2.39 2.02 -1.08 -1.20 112.91 116.08 3hre h THR 189 Ca 0.13 -0.68 -0.02 0.00 0.77 0.00 0.00 66.41 66.61 3hre h THR 189 Cb 0.02 0.91 -0.03 0.00 -1.74 0.00 0.00 68.15 67.30 3hre h THR 189 CO -0.02 0.24 0.31 0.25 0.37 0.00 0.00 175.52 176.67 3hre h LEU 190 N 0.50 0.77 -0.21 2.58 5.85 -0.54 0.13 115.31 124.39 3hre h LEU 190 Ca 0.13 -0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.77 3hre h LEU 190 Cb 0.24 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 3hre h LEU 190 CO -0.01 0.64 0.08 -0.09 -0.34 0.00 0.00 178.44 178.72 3hre h ARG 191 N 0.86 0.31 -0.80 1.25 2.43 -0.78 -0.64 114.38 117.01 3hre h ARG 191 Ca 0.22 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.31 3hre h ARG 191 Cb 0.06 -0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 29.52 3hre h ARG 191 CO -0.03 0.38 0.43 1.96 -1.51 0.00 0.00 179.97 181.19 3hre h GLN 192 N 0.17 1.11 -0.16 0.20 1.08 -0.49 0.14 115.11 117.16 3hre h GLN 192 Ca 0.07 -0.13 -0.18 0.00 -1.45 0.00 0.00 58.65 56.95 3hre h GLN 192 Cb 0.19 -0.22 0.01 0.00 -0.05 0.00 0.00 27.48 27.41 3hre h GLN 192 CO -0.00 0.82 -0.61 -0.07 -0.95 0.00 0.00 178.83 178.02 3hre h LEU 193 N 1.12 0.82 0.00 1.46 3.38 -0.84 -2.64 115.31 118.61 3hre h LEU 193 Ca 0.28 -0.61 -0.18 0.00 0.09 0.00 0.00 57.88 57.46 3hre h LEU 193 Cb 0.04 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.52 3hre h LEU 193 CO -0.04 1.29 -1.90 0.35 0.09 0.00 0.00 178.44 178.22 3hre n THR 194 N -4.08 0.88 0.00 0.22 -2.24 -0.26 -4.66 114.28 104.13 3hre n THR 194 Ca -0.07 -0.68 0.00 0.00 -2.27 0.00 0.00 64.05 61.03 3hre n THR 194 Cb 0.66 -0.41 0.00 0.00 -2.10 0.00 0.00 70.33 68.48 3hre n THR 194 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3hre n LEU 195 N -2.64 0.00 0.00 3.22 4.77 0.31 -4.93 117.00 117.73 3hre n LEU 195 Ca -0.15 -0.09 0.00 0.00 -0.03 0.00 0.00 56.01 55.74 3hre n LEU 195 Cb 0.85 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.94 3hre n LEU 195 CO 0.44 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.11 3hre n GLY 196 N 1.73 1.88 1.04 -0.72 0.00 -0.27 -4.99 105.19 103.87 3hre n GLY 196 Ca 0.00 -1.92 -0.01 0.00 0.00 0.00 0.00 46.02 44.09 3hre n GLY 196 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3hre n HIS 197 N 0.00 0.60 0.16 1.61 8.25 -1.15 -4.68 115.22 120.01 3hre n HIS 197 Ca 0.00 -1.57 0.01 0.00 -0.26 0.00 0.00 57.72 55.90 3hre n HIS 197 Cb 0.00 -0.26 0.30 0.00 1.12 0.00 0.00 29.99 31.15 3hre n HIS 197 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3hre h ALA 198 N 1.29 1.26 -2.14 -1.41 0.00 -1.79 -3.44 119.26 113.03 3hre h ALA 198 Ca 0.05 -0.39 -0.58 0.00 0.00 0.00 0.00 54.91 53.98 3hre h ALA 198 Cb 1.20 -0.07 -0.11 0.00 0.00 0.00 0.00 17.79 18.81 3hre h ALA 198 CO 0.17 0.54 -0.68 -0.51 0.00 0.00 0.00 179.25 178.77 3hre s LEU 199 N -8.09 2.92 0.77 0.00 1.43 -1.26 -5.03 118.68 109.42 3hre s LEU 199 Ca -0.03 -0.87 -0.12 0.00 -1.03 0.00 0.00 54.13 52.09 3hre s LEU 199 Cb 0.14 -1.40 0.06 0.00 0.03 0.00 0.00 46.19 45.02 3hre s LEU 199 CO 0.74 -0.04 1.11 -0.83 0.23 0.00 0.00 176.35 177.56 3hre s GLY 200 N -3.62 1.82 0.19 -3.19 0.00 -1.26 -4.66 107.32 96.59 3hre s GLY 200 Ca 0.32 0.43 -0.17 0.00 0.00 0.00 0.00 44.72 45.30 3hre s GLY 200 CO 0.18 0.79 1.63 -2.09 0.00 0.00 0.00 173.10 173.61 3hre h GLU 201 N -0.99 -0.06 -0.63 2.90 4.81 -1.97 1.00 114.58 119.64 3hre h GLU 201 Ca -0.44 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 58.75 3hre h GLU 201 Cb 1.25 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.61 3hre h GLU 201 CO 0.50 -0.04 0.22 1.15 -0.73 0.00 0.00 179.01 180.11 3hre h THR 202 N -0.06 1.23 -0.30 0.32 2.02 -1.99 -1.59 112.91 112.53 3hre h THR 202 Ca 0.24 -0.75 -0.17 0.00 0.77 0.00 0.00 66.41 66.50 3hre h THR 202 Cb 0.44 0.51 -0.00 0.00 -1.74 0.00 0.00 68.15 67.35 3hre h THR 202 CO -0.56 0.29 -0.47 1.56 0.37 0.00 0.00 175.52 176.72 3hre h GLN 203 N 0.91 0.85 -0.33 6.66 7.50 -1.67 -0.93 115.11 128.11 3hre h GLN 203 Ca 0.21 -0.51 -0.00 0.00 0.50 0.00 0.00 58.65 58.84 3hre h GLN 203 Cb 0.22 0.05 -0.02 0.00 0.05 0.00 0.00 27.48 27.78 3hre h GLN 203 CO -0.01 1.15 0.19 -0.09 -1.50 0.00 0.00 178.83 178.56 3hre h ARG 204 N 0.63 0.45 -0.69 1.46 2.43 -0.64 -0.76 114.38 117.26 3hre h ARG 204 Ca 0.03 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.14 3hre h ARG 204 Cb 1.07 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 30.50 3hre h ARG 204 CO 0.11 0.37 0.38 0.00 -1.51 0.00 0.00 179.97 179.31 3hre h ALA 205 N 1.06 1.38 -0.50 2.80 0.00 -1.19 -1.10 119.26 121.72 3hre h ALA 205 Ca 0.12 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 3hre h ALA 205 Cb 0.04 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 3hre h ALA 205 CO -0.02 0.51 -0.00 0.37 0.00 0.00 0.00 179.25 180.11 3hre h GLN 206 N 0.95 0.88 -0.42 0.00 5.75 -0.62 0.11 115.11 121.76 3hre h GLN 206 Ca 0.24 -0.28 -0.03 0.00 -0.15 0.00 0.00 58.65 58.43 3hre h GLN 206 Cb 0.01 -0.08 -0.02 0.00 1.07 0.00 0.00 27.48 28.47 3hre h GLN 206 CO -0.04 0.91 0.14 1.25 -2.65 0.00 0.00 178.83 178.44 3hre h LEU 207 N 0.74 0.60 -0.64 -2.39 5.85 -0.74 -0.66 115.31 118.07 3hre h LEU 207 Ca 0.14 -0.19 -0.02 0.00 0.84 0.00 0.00 57.88 58.65 3hre h LEU 207 Cb 0.52 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.36 3hre h LEU 207 CO 0.03 0.63 0.33 0.58 -0.34 0.00 0.00 178.44 179.67 3hre h VAL 208 N 0.53 1.21 -0.53 1.05 2.07 -1.05 -0.77 116.25 118.76 3hre h VAL 208 Ca 0.14 -0.56 0.01 0.00 0.82 0.00 0.00 66.70 67.10 3hre h VAL 208 Cb 0.24 0.41 -0.03 0.00 -1.52 0.00 0.00 31.29 30.39 3hre h VAL 208 CO -0.01 0.24 0.35 0.74 0.02 0.00 0.00 177.57 178.91 3hre h THR 209 N 0.88 1.12 -0.28 2.57 2.02 -0.70 -0.20 112.91 118.32 3hre h THR 209 Ca 0.22 -0.24 -0.01 0.00 0.77 0.00 0.00 66.41 67.15 3hre h THR 209 Cb 0.08 0.36 -0.01 0.00 -1.74 0.00 0.00 68.15 66.83 3hre h THR 209 CO -0.03 0.13 0.14 -0.50 0.37 0.00 0.00 175.52 175.63 3hre h TRP 210 N 0.71 0.40 -0.77 3.16 6.55 -0.67 -2.22 115.95 123.10 3hre h TRP 210 Ca 0.20 -0.02 -0.02 0.00 0.95 0.00 0.00 58.89 60.00 3hre h TRP 210 Cb -0.07 -0.12 -0.04 0.00 -0.86 0.00 0.00 29.16 28.07 3hre h TRP 210 CO -0.04 0.36 0.40 -0.07 -1.05 0.00 0.00 178.44 178.03 3hre h LEU 211 N 0.33 0.99 -1.82 -4.49 3.38 -0.85 -2.06 115.31 110.79 3hre h LEU 211 Ca 0.10 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 3hre h LEU 211 Cb 0.10 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.59 3hre h LEU 211 CO -0.01 0.83 -0.13 0.11 0.09 0.00 0.00 178.44 179.33 3hre h LYS 212 N 1.08 0.00 -0.45 1.13 1.57 -0.88 -2.11 116.57 116.90 3hre h LYS 212 Ca 0.27 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.05 3hre h LYS 212 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.39 3hre h LYS 212 CO -0.04 0.13 0.00 0.41 -0.57 0.00 0.00 179.45 179.38 3hre n GLY 213 N -0.55 1.24 3.66 3.86 0.00 -0.79 -4.86 105.19 107.76 3hre n GLY 213 Ca -0.01 -0.54 -0.41 0.00 0.00 0.00 0.00 46.02 45.05 3hre n GLY 213 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3hre n ASN 214 N 0.93 1.97 -0.00 1.61 5.15 -0.83 -4.87 115.26 119.21 3hre n ASN 214 Ca 0.17 1.07 0.09 0.00 -0.60 0.00 0.00 54.58 55.31 3hre n ASN 214 Cb 0.42 -1.44 -0.12 0.00 -0.53 0.00 0.00 39.78 38.11 3hre n ASN 214 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 3hre n THR 215 N -0.39 0.00 -0.79 -0.44 -2.24 -0.80 -4.62 114.28 105.00 3hre n THR 215 Ca 0.08 -0.20 0.08 0.00 -2.27 0.00 0.00 64.05 61.74 3hre n THR 215 Cb 0.40 0.64 0.34 0.00 -2.10 0.00 0.00 70.33 69.62 3hre n THR 215 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3hre n THR 216 N -1.72 2.26 0.39 4.28 -2.24 -1.26 -4.68 114.28 111.31 3hre n THR 216 Ca 0.01 -1.42 0.05 0.00 -2.27 0.00 0.00 64.05 60.41 3hre n THR 216 Cb 0.37 -0.09 0.04 0.00 -2.10 0.00 0.00 70.33 68.55 3hre n THR 216 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hre n GLY 217 N 0.53 -0.50 0.31 3.38 0.00 -1.26 -4.71 105.19 102.94 3hre n GLY 217 Ca 0.25 -0.27 0.17 0.00 0.00 0.00 0.00 46.02 46.17 3hre n GLY 217 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hre h ALA 218 N 1.83 1.38 -0.01 4.61 0.00 -1.93 -2.42 119.26 122.73 3hre h ALA 218 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3hre h ALA 218 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3hre h ALA 218 CO 0.00 -0.00 -0.44 0.00 0.00 0.00 0.00 179.25 178.81 3hre n ALA 219 N -2.25 3.48 -2.02 0.00 0.00 -1.26 -3.35 120.51 115.10 3hre n ALA 219 Ca -0.03 -0.52 0.00 0.00 0.00 0.00 0.00 53.44 52.89 3hre n ALA 219 Cb 0.08 -0.95 0.00 0.00 0.00 0.00 0.00 19.45 18.58 3hre n ALA 219 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3hre n SER 220 N -0.52 0.00 -0.23 0.00 7.64 -0.91 -4.28 113.62 115.31 3hre n SER 220 Ca 0.10 0.00 0.03 0.00 1.01 0.00 0.00 58.87 60.01 3hre n SER 220 Cb 0.40 0.00 0.14 0.00 -1.01 0.00 0.00 64.21 63.74 3hre n SER 220 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 3hre h ILE 221 N 0.00 0.48 0.00 0.44 2.04 -1.78 -0.82 117.51 117.87 3hre h ILE 221 Ca 0.00 -0.06 -0.00 0.00 1.00 0.00 0.00 64.86 65.80 3hre h ILE 221 Cb 0.00 0.29 -0.00 0.00 -0.74 0.00 0.00 36.82 36.37 3hre h ILE 221 CO 0.00 0.03 -0.02 0.03 0.00 0.00 0.00 178.15 178.19 3hre h ARG 222 N 0.18 0.00 0.00 2.37 3.08 -1.85 -0.75 114.38 117.40 3hre h ARG 222 Ca 0.37 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.42 3hre h ARG 222 Cb 0.63 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.68 3hre h ARG 222 CO -0.54 0.02 0.00 0.00 -1.07 0.00 0.00 179.97 178.38 3hre h ALA 223 N 1.98 1.00 -0.24 0.04 0.00 -1.14 -2.56 119.26 118.33 3hre h ALA 223 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3hre h ALA 223 Cb 0.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3hre h ALA 223 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 3hre n GLY 224 N -0.03 1.07 3.79 0.00 0.00 -0.29 -4.94 105.19 104.79 3hre n GLY 224 Ca 0.00 -0.62 -0.30 0.00 0.00 0.00 0.00 46.02 45.11 3hre n GLY 224 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hre s LEU 225 N -1.63 3.85 0.45 0.99 1.43 -0.97 -3.43 118.68 119.37 3hre s LEU 225 Ca 0.35 -0.00 -0.23 0.00 -1.03 0.00 0.00 54.13 53.21 3hre s LEU 225 Cb 0.21 -2.51 -0.10 0.00 0.03 0.00 0.00 46.19 43.82 3hre s LEU 225 CO 0.30 0.16 1.00 -2.65 0.23 0.00 0.00 176.35 175.39 3hre n PRO 226 N 0.35 1.30 0.11 1.29 -0.02 -1.26 -4.89 135.00 131.88 3hre n PRO 226 Ca -0.08 0.47 0.05 0.00 -2.02 0.00 0.00 63.50 61.92 3hre n PRO 226 Cb 0.52 -2.07 0.51 0.00 -0.02 0.00 0.00 33.50 32.44 3hre n PRO 226 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 3hre h THR 227 N 1.40 1.07 0.00 3.45 2.02 -1.98 -2.44 112.91 116.42 3hre h THR 227 Ca -0.45 -0.14 -0.02 0.00 0.77 0.00 0.00 66.41 66.57 3hre h THR 227 Cb 1.34 0.72 -0.00 0.00 -1.74 0.00 0.00 68.15 68.47 3hre h THR 227 CO 0.56 0.07 -0.09 0.77 0.37 0.00 0.00 175.52 177.20 3hre h SER 228 N 0.33 0.00 -4.01 4.18 4.64 -2.00 -3.43 113.55 113.26 3hre h SER 228 Ca 0.09 0.00 -0.48 0.00 -0.47 0.00 0.00 61.79 60.93 3hre h SER 228 Cb -0.03 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.08 3hre h SER 228 CO -0.02 0.09 0.40 0.26 -0.87 0.00 0.00 176.83 176.69 3hre s TRP 229 N -4.09 3.17 0.10 4.77 0.52 -0.92 -4.67 118.94 117.82 3hre s TRP 229 Ca -0.02 1.62 0.08 0.00 0.02 0.00 0.00 56.10 57.80 3hre s TRP 229 Cb 0.12 -3.09 -0.04 0.00 -1.15 0.00 0.00 33.47 29.31 3hre s TRP 229 CO 0.56 -0.67 -0.17 0.95 0.02 0.00 0.00 176.95 177.63 3hre s THR 230 N -1.80 2.91 0.22 2.01 -4.23 -0.97 -4.98 115.64 108.80 3hre s THR 230 Ca 0.61 -1.42 -0.17 0.00 -1.18 0.00 0.00 61.69 59.54 3hre s THR 230 Cb -0.19 -2.32 0.02 0.00 1.34 0.00 0.00 72.50 71.34 3hre s THR 230 CO 0.24 0.14 0.53 0.00 -0.54 0.00 0.00 174.62 174.99 3hre s ALA 231 N -1.12 -0.77 0.02 3.99 0.00 -1.26 -0.01 121.76 122.60 3hre s ALA 231 Ca 0.18 -0.42 0.04 0.00 0.00 0.00 0.00 51.96 51.76 3hre s ALA 231 Cb -0.11 0.90 -0.02 0.00 0.00 0.00 0.00 23.12 23.90 3hre s ALA 231 CO 0.10 -0.84 -0.12 0.20 0.00 0.00 0.00 175.76 175.10 3hre s GLY 232 N -2.92 0.63 0.24 0.00 0.00 -0.41 -4.55 107.32 100.31 3hre s GLY 232 Ca 0.13 -0.64 -0.16 0.00 0.00 0.00 0.00 44.72 44.04 3hre s GLY 232 CO 0.01 -0.60 0.55 0.51 0.00 0.00 0.00 173.10 173.57 3hre s ASP 233 N -0.75 -0.18 -0.06 1.64 -4.77 -0.99 -1.50 116.67 110.06 3hre s ASP 233 Ca 0.02 -0.71 -0.02 0.00 -3.30 0.00 0.00 52.55 48.54 3hre s ASP 233 Cb -0.06 0.62 0.03 0.00 -1.09 0.00 0.00 42.92 42.41 3hre s ASP 233 CO 0.00 -1.16 0.02 -0.75 0.70 0.00 0.00 175.17 173.99 3hre s LYS 234 N -3.95 0.35 0.66 2.11 2.47 -0.26 -4.70 119.74 116.43 3hre s LYS 234 Ca 0.15 0.21 -0.06 0.00 -1.56 0.00 0.00 55.97 54.71 3hre s LYS 234 Cb -0.02 -0.80 0.04 0.00 -1.46 0.00 0.00 37.83 35.60 3hre s LYS 234 CO 0.05 -0.31 0.97 0.95 0.16 0.00 0.00 175.35 177.16 3hre s THR 235 N 2.03 2.68 -0.05 3.43 -4.23 -1.26 -1.68 115.64 116.56 3hre s THR 235 Ca 0.05 -0.22 -0.09 0.00 -1.18 0.00 0.00 61.69 60.25 3hre s THR 235 Cb -0.12 -3.12 0.02 0.00 1.34 0.00 0.00 72.50 70.61 3hre s THR 235 CO -0.04 -0.13 0.21 -0.83 -0.54 0.00 0.00 174.62 173.29 3hre s GLY 236 N -4.45 -0.11 -0.10 3.99 0.00 -0.34 -3.18 107.32 103.13 3hre s GLY 236 Ca 0.58 0.40 -0.06 0.00 0.00 0.00 0.00 44.72 45.64 3hre s GLY 236 CO 0.44 0.28 0.24 -0.45 0.00 0.00 0.00 173.10 173.62 3hre s SER 237 N -0.44 -0.26 0.00 1.64 0.15 -1.26 -0.65 113.70 112.88 3hre s SER 237 Ca -0.05 0.50 0.00 0.00 0.70 0.00 0.00 55.95 57.10 3hre s SER 237 Cb -0.04 0.44 0.00 0.00 -1.71 0.00 0.00 66.02 64.71 3hre s SER 237 CO 0.01 -0.13 0.00 0.61 1.20 0.00 0.00 173.24 174.93 3hre n GLY 238 N 3.72 2.50 3.59 9.45 0.00 -0.64 -4.57 105.19 119.25 3hre n GLY 238 Ca -0.20 -1.10 -0.28 0.00 0.00 0.00 0.00 46.02 44.44 3hre n GLY 238 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3hre s ASP 240 N -0.64 1.79 -1.74 1.61 1.01 -0.68 -2.54 116.67 115.47 3hre s ASP 240 Ca 0.00 1.27 -0.01 0.00 0.71 0.00 0.00 52.55 54.52 3hre s ASP 240 Cb 0.00 -1.98 0.00 0.00 1.01 0.00 0.00 42.92 41.95 3hre s ASP 240 CO 0.00 -3.66 0.10 -1.22 0.21 0.00 0.00 175.17 170.60 3hre n TYR 241 N -4.53 -1.15 -3.12 4.23 4.01 0.56 -1.99 117.16 115.16 3hre n TYR 241 Ca 0.04 0.09 -0.21 0.00 -0.16 0.00 0.00 57.90 57.66 3hre n TYR 241 Cb 0.56 -4.06 0.00 0.00 -0.31 0.00 0.00 39.34 35.54 3hre n TYR 241 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3hre n GLY 242 N -1.11 -0.49 3.68 2.72 0.00 -1.20 -0.40 105.19 108.39 3hre n GLY 242 Ca -0.22 0.08 -0.42 0.00 0.00 0.00 0.00 46.02 45.45 3hre n GLY 242 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hre s THR 243 N -2.90 3.39 -0.17 2.61 2.01 -0.84 -4.44 115.64 115.29 3hre s THR 243 Ca 0.30 0.73 -0.02 0.00 0.31 0.00 0.00 61.69 63.01 3hre s THR 243 Cb -0.16 -3.47 0.05 0.00 0.01 0.00 0.00 72.50 68.94 3hre s THR 243 CO 0.37 -0.02 0.02 -0.89 -0.69 0.00 0.00 174.62 173.41 3hre s THR 244 N 2.97 0.59 0.25 -0.82 2.01 0.20 -1.62 115.64 119.22 3hre s THR 244 Ca 0.71 -0.46 0.06 0.00 0.31 0.00 0.00 61.69 62.31 3hre s THR 244 Cb -0.35 -0.99 -0.05 0.00 0.01 0.00 0.00 72.50 71.11 3hre s THR 244 CO 0.30 -0.08 -0.06 0.20 -0.69 0.00 0.00 174.62 174.28 3hre s ASN 245 N 1.84 2.50 -0.28 3.53 0.01 0.17 -1.91 114.94 120.81 3hre s ASN 245 Ca 0.00 -1.17 -0.24 0.00 -0.71 0.00 0.00 52.86 50.75 3hre s ASN 245 Cb -0.16 -0.12 0.09 0.00 0.41 0.00 0.00 41.25 41.47 3hre s ASN 245 CO -0.07 -0.36 0.83 -0.62 -1.51 0.00 0.00 177.10 175.37 3hre s ASP 246 N -3.39 -0.66 -0.05 -1.22 2.15 -0.45 -1.20 116.67 111.85 3hre s ASP 246 Ca 0.28 1.24 0.02 0.00 0.43 0.00 0.00 52.55 54.53 3hre s ASP 246 Cb 0.03 1.26 0.01 0.00 -0.30 0.00 0.00 42.92 43.93 3hre s ASP 246 CO 0.10 -0.21 -0.12 0.27 -0.17 0.00 0.00 175.17 175.04 3hre s ILE 247 N 0.48 1.05 0.03 4.11 -4.36 -0.67 -1.02 121.20 120.81 3hre s ILE 247 Ca -0.00 -0.45 -0.05 0.00 -0.26 0.00 0.00 60.65 59.88 3hre s ILE 247 Cb -0.05 -0.95 -0.01 0.00 1.25 0.00 0.00 42.46 42.70 3hre s ILE 247 CO -0.04 0.33 0.08 0.00 0.24 0.00 0.00 174.94 175.56 3hre s ALA 248 N 0.51 -0.08 -0.18 2.27 0.00 0.61 -1.10 121.76 123.79 3hre s ALA 248 Ca -0.11 -0.49 -0.02 0.00 0.00 0.00 0.00 51.96 51.35 3hre s ALA 248 Cb -0.14 0.21 -0.01 0.00 0.00 0.00 0.00 23.12 23.18 3hre s ALA 248 CO 0.03 -0.28 -0.10 0.08 0.00 0.00 0.00 175.76 175.49 3hre s VAL 249 N -2.24 3.06 -0.02 0.00 1.01 -0.56 -0.81 120.40 120.84 3hre s VAL 249 Ca -0.08 -0.62 0.07 0.00 0.00 0.00 0.00 61.98 61.35 3hre s VAL 249 Cb -0.03 -2.34 -0.02 0.00 0.00 0.00 0.00 36.38 33.99 3hre s VAL 249 CO -0.03 0.48 -0.24 -0.63 0.00 0.00 0.00 175.10 174.68 3hre s ILE 250 N 1.00 1.86 -0.55 2.22 1.01 0.35 -1.29 121.20 125.81 3hre s ILE 250 Ca -0.01 -1.01 -0.01 0.00 0.00 0.00 0.00 60.65 59.62 3hre s ILE 250 Cb -0.15 -1.55 0.14 0.00 0.01 0.00 0.00 42.46 40.92 3hre s ILE 250 CO -0.01 0.53 0.34 0.26 0.00 0.00 0.00 174.94 176.06 3hre s TRP 251 N -0.54 3.43 0.66 3.97 0.51 0.99 -0.14 118.94 127.82 3hre s TRP 251 Ca 0.09 -2.74 -0.15 0.00 -2.12 0.00 0.00 56.10 51.18 3hre s TRP 251 Cb -0.09 -3.14 0.00 0.00 -0.81 0.00 0.00 33.47 29.43 3hre s TRP 251 CO -0.01 -0.86 1.11 -2.14 -0.51 0.00 0.00 176.95 174.55 3hre s PRO 252 N 0.20 2.76 0.05 4.98 0.02 -1.26 -2.29 135.00 139.47 3hre s PRO 252 Ca 0.15 1.40 -0.32 0.00 0.02 0.00 0.00 61.00 62.25 3hre s PRO 252 Cb -0.22 -1.94 -0.11 0.00 0.02 0.00 0.00 34.50 32.25 3hre s PRO 252 CO -0.03 -1.28 1.83 0.94 -0.33 0.00 0.00 177.00 178.13 3hre n GLN 254 N -2.45 2.54 -1.02 5.54 7.27 -1.26 -2.56 117.38 125.44 3hre n GLN 254 Ca 0.10 0.92 -0.01 0.00 0.07 0.00 0.00 57.00 58.09 3hre n GLN 254 Cb 0.52 -2.80 -0.00 0.00 2.41 0.00 0.00 30.24 30.37 3hre n GLN 254 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3hre n GLY 255 N 4.21 0.25 3.22 1.69 0.00 -1.26 -5.00 105.19 108.31 3hre n GLY 255 Ca 0.19 -0.02 -0.13 0.00 0.00 0.00 0.00 46.02 46.07 3hre n GLY 255 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3hre s ARG 256 N -1.33 1.22 0.64 1.61 1.70 -1.06 -5.15 118.95 116.58 3hre s ARG 256 Ca 0.00 -1.64 -0.18 0.00 -0.47 0.00 0.00 55.73 53.44 3hre s ARG 256 Cb 0.00 0.16 -0.01 0.00 -0.57 0.00 0.00 34.95 34.52 3hre s ARG 256 CO 0.00 -0.36 1.28 0.00 -1.08 0.00 0.00 175.30 175.14 3hre s ALA 257 N -4.07 2.40 0.79 7.88 0.00 -1.26 -4.26 121.76 123.25 3hre s ALA 257 Ca 0.38 1.19 -0.11 0.00 0.00 0.00 0.00 51.96 53.41 3hre s ALA 257 Cb 0.07 -3.54 0.07 0.00 0.00 0.00 0.00 23.12 19.72 3hre s ALA 257 CO 0.11 -1.53 1.12 -1.25 0.00 0.00 0.00 175.76 174.21 3hre s PRO 258 N -3.37 2.01 0.22 0.00 0.04 -1.26 -4.50 135.00 128.14 3hre s PRO 258 Ca 0.82 1.35 0.11 0.00 0.04 0.00 0.00 61.00 63.31 3hre s PRO 258 Cb -0.37 -1.86 -0.04 0.00 0.04 0.00 0.00 34.50 32.27 3hre s PRO 258 CO 0.39 -1.85 -0.16 -0.51 0.04 0.00 0.00 177.00 174.91 3hre s LEU 259 N -5.87 2.72 -0.10 -3.56 1.43 0.80 -1.69 118.68 112.41 3hre s LEU 259 Ca 0.65 -0.80 0.03 0.00 -1.03 0.00 0.00 54.13 52.98 3hre s LEU 259 Cb -0.20 -1.36 0.01 0.00 0.03 0.00 0.00 46.19 44.67 3hre s LEU 259 CO 0.53 0.08 -0.18 -0.69 0.23 0.00 0.00 176.35 176.33 3hre s VAL 260 N -1.97 1.64 -0.03 -1.59 1.01 -0.28 -0.49 120.40 118.69 3hre s VAL 260 Ca 0.26 -0.75 0.01 0.00 0.00 0.00 0.00 61.98 61.49 3hre s VAL 260 Cb -0.07 -1.46 0.02 0.00 0.00 0.00 0.00 36.38 34.87 3hre s VAL 260 CO 0.14 0.47 -0.01 -0.22 0.00 0.00 0.00 175.10 175.48 3hre s LEU 261 N 0.68 1.23 -0.11 3.92 2.96 0.01 -0.83 118.68 126.55 3hre s LEU 261 Ca -0.13 -0.04 0.03 0.00 -0.22 0.00 0.00 54.13 53.77 3hre s LEU 261 Cb -0.16 -0.25 -0.01 0.00 0.50 0.00 0.00 46.19 46.27 3hre s LEU 261 CO 0.03 -0.09 -0.20 -0.69 -1.32 0.00 0.00 176.35 174.09 3hre s VAL 262 N 0.94 2.44 -0.18 1.68 1.01 -0.13 -0.29 120.40 125.88 3hre s VAL 262 Ca -0.10 -0.88 -0.02 0.00 0.00 0.00 0.00 61.98 60.98 3hre s VAL 262 Cb -0.13 -1.97 0.05 0.00 0.00 0.00 0.00 36.38 34.33 3hre s VAL 262 CO -0.01 0.55 0.00 0.42 0.00 0.00 0.00 175.10 176.06 3hre s THR 263 N 0.31 0.74 -0.03 3.92 -4.23 -0.18 -1.57 115.64 114.59 3hre s THR 263 Ca -0.15 -0.56 0.04 0.00 -1.18 0.00 0.00 61.69 59.84 3hre s THR 263 Cb -0.17 -1.10 -0.03 0.00 1.34 0.00 0.00 72.50 72.54 3hre s THR 263 CO 0.07 -0.06 -0.13 -0.31 -0.54 0.00 0.00 174.62 173.65 3hre s TYR 264 N 1.77 2.73 -0.10 3.99 2.02 0.50 -1.34 117.35 126.93 3hre s TYR 264 Ca -0.00 -0.14 -0.06 0.00 -0.37 0.00 0.00 57.07 56.50 3hre s TYR 264 Cb -0.16 -1.61 0.04 0.00 -0.40 0.00 0.00 41.96 39.82 3hre s TYR 264 CO -0.07 0.24 0.24 0.12 -1.57 0.00 0.00 175.55 174.50 3hre s PHE 265 N -0.80 -0.31 0.03 2.71 5.36 -0.80 -0.57 117.98 123.61 3hre s PHE 265 Ca 0.13 0.73 -0.03 0.00 -0.96 0.00 0.00 56.93 56.80 3hre s PHE 265 Cb -0.11 0.06 -0.02 0.00 -0.34 0.00 0.00 43.02 42.61 3hre s PHE 265 CO 0.02 -0.20 0.04 -0.08 -1.46 0.00 0.00 175.22 173.54 3hre s THR 266 N 0.90 0.14 0.32 0.12 -1.32 -0.60 -0.63 115.64 114.57 3hre s THR 266 Ca -0.06 -1.16 0.07 0.00 -1.21 0.00 0.00 61.69 59.33 3hre s THR 266 Cb -0.08 -0.82 -0.06 0.00 -1.51 0.00 0.00 72.50 70.04 3hre s THR 266 CO -0.06 -0.64 -0.05 -1.10 -2.21 0.00 0.00 174.62 170.56 3hre s GLN 267 N -2.48 1.68 0.28 7.08 -0.21 0.47 -0.71 119.66 125.77 3hre s GLN 267 Ca -0.06 -1.87 0.06 0.00 0.02 0.00 0.00 55.36 53.50 3hre s GLN 267 Cb -0.02 -1.35 0.40 0.00 1.00 0.00 0.00 33.01 33.04 3hre s GLN 267 CO -0.04 0.04 1.66 -1.35 -2.12 0.00 0.00 175.29 173.48 3hre h PRO 268 N 2.14 0.23 -5.81 2.91 0.11 -1.82 -3.45 132.00 126.31 3hre h PRO 268 Ca -0.41 -0.12 -0.58 0.00 0.11 0.00 0.00 66.00 64.99 3hre h PRO 268 Cb 1.24 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 32.28 3hre h PRO 268 CO 0.70 0.66 -0.15 -0.65 -0.21 0.00 0.00 178.00 178.35 3hre s GLN 269 N -4.03 4.26 0.29 1.05 -1.52 -1.26 -4.99 119.66 113.46 3hre s GLN 269 Ca -0.04 0.45 0.03 0.00 -1.95 0.00 0.00 55.36 53.85 3hre s GLN 269 Cb 0.13 -3.39 0.64 0.00 -0.22 0.00 0.00 33.01 30.17 3hre s GLN 269 CO 0.78 0.28 1.79 0.37 -0.25 0.00 0.00 175.29 178.25 3hre h GLN 270 N 6.24 0.76 -0.67 2.91 4.15 -1.91 -1.67 115.11 124.92 3hre h GLN 270 Ca -0.43 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 58.94 3hre h GLN 270 Cb 1.19 -0.17 0.00 0.00 0.21 0.00 0.00 27.48 28.71 3hre h GLN 270 CO 0.72 0.50 0.00 0.27 -1.93 0.00 0.00 178.83 178.40 3hre n ASN 271 N -4.76 4.35 -4.70 -0.69 6.94 -1.26 -0.32 115.26 114.81 3hre n ASN 271 Ca 0.21 -2.60 -0.37 0.00 -0.02 0.00 0.00 54.58 51.80 3hre n ASN 271 Cb 0.48 -0.60 0.06 0.00 -2.36 0.00 0.00 39.78 37.36 3hre n ASN 271 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3hre n ALA 272 N 0.57 0.97 -1.65 -2.53 0.00 -0.63 -4.87 120.51 112.38 3hre n ALA 272 Ca 0.21 0.01 -0.33 0.00 0.00 0.00 0.00 53.44 53.33 3hre n ALA 272 Cb 0.89 -2.28 0.02 0.00 0.00 0.00 0.00 19.45 18.08 3hre n ALA 272 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 3hre s GLU 273 N -3.20 3.25 0.56 0.00 -1.05 -1.26 -3.27 118.70 113.72 3hre s GLU 273 Ca 0.81 1.20 -0.19 0.00 -0.15 0.00 0.00 54.97 56.64 3hre s GLU 273 Cb -0.39 -2.02 -0.05 0.00 -0.44 0.00 0.00 34.13 31.23 3hre s GLU 273 CO 0.42 -0.87 1.13 -1.54 0.95 0.00 0.00 175.26 175.36 3hre s SER 274 N -2.85 5.62 -0.44 0.83 1.04 -1.26 -4.63 113.70 112.01 3hre s SER 274 Ca 0.63 2.16 0.09 0.00 0.48 0.00 0.00 55.95 59.32 3hre s SER 274 Cb -0.16 -2.58 0.32 0.00 0.10 0.00 0.00 66.02 63.70 3hre s SER 274 CO 0.39 -1.29 0.74 0.54 0.98 0.00 0.00 173.24 174.60 3hre n ARG 275 N -1.46 1.54 0.28 4.02 5.12 -1.26 -4.91 116.66 119.99 3hre n ARG 275 Ca 0.12 -3.78 0.11 0.00 -1.93 0.00 0.00 57.85 52.37 3hre n ARG 275 Cb 0.51 -1.77 0.77 0.00 -1.16 0.00 0.00 32.46 30.81 3hre n ARG 275 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3hre h ARG 276 N 3.29 0.00 -0.16 5.56 3.08 -1.94 -1.16 114.38 123.05 3hre h ARG 276 Ca 0.11 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.15 3hre h ARG 276 Cb 0.82 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.87 3hre h ARG 276 CO 0.59 0.00 0.08 0.38 -1.07 0.00 0.00 179.97 179.96 3hre h ASP 277 N 0.00 0.19 -0.41 7.04 2.03 -1.91 -1.30 116.42 122.06 3hre h ASP 277 Ca -0.00 -0.01 -0.11 0.00 -0.73 0.00 0.00 57.03 56.18 3hre h ASP 277 Cb 0.01 -0.05 -0.02 0.00 -0.83 0.00 0.00 39.33 38.44 3hre h ASP 277 CO 0.00 0.17 -0.15 0.58 -1.03 0.00 0.00 179.24 178.81 3hre h VAL 278 N 0.22 1.27 -0.37 4.15 2.07 -1.57 -0.17 116.25 121.85 3hre h VAL 278 Ca 0.06 -1.27 -0.08 0.00 0.82 0.00 0.00 66.70 66.24 3hre h VAL 278 Cb 0.02 1.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.84 3hre h VAL 278 CO -0.01 0.44 -0.07 -0.07 0.02 0.00 0.00 177.57 177.88 3hre h LEU 279 N 0.79 0.70 -0.59 2.57 3.38 -1.37 -0.55 115.31 120.24 3hre h LEU 279 Ca 0.12 -0.35 -0.00 0.00 0.09 0.00 0.00 57.88 57.74 3hre h LEU 279 Cb 0.67 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.20 3hre h LEU 279 CO 0.05 0.89 0.37 0.00 0.09 0.00 0.00 178.44 179.83 3hre h ALA 280 N 0.84 0.75 -0.80 1.53 0.00 -1.12 -0.85 119.26 119.60 3hre h ALA 280 Ca 0.10 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 3hre h ALA 280 Cb 0.57 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 3hre h ALA 280 CO 0.03 0.21 0.31 0.77 0.00 0.00 0.00 179.25 180.58 3hre h SER 281 N 0.79 1.10 -0.48 0.00 0.02 -0.83 -0.20 113.55 113.96 3hre h SER 281 Ca 0.21 -0.17 -0.06 0.00 -0.84 0.00 0.00 61.79 60.93 3hre h SER 281 Cb -0.04 -0.29 -0.02 0.00 0.14 0.00 0.00 62.40 62.19 3hre h SER 281 CO -0.04 0.98 0.08 0.00 -1.14 0.00 0.00 176.83 176.71 3hre h ALA 282 N 1.18 0.64 -0.53 3.77 0.00 -0.72 -1.59 119.26 122.01 3hre h ALA 282 Ca 0.26 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 3hre h ALA 282 Cb 0.22 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3hre h ALA 282 CO -0.02 0.36 0.06 0.00 0.00 0.00 0.00 179.25 179.65 3hre h ALA 283 N 0.96 1.12 -0.68 0.00 0.00 -0.81 -1.64 119.26 118.21 3hre h ALA 283 Ca 0.15 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 3hre h ALA 283 Cb 0.39 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 3hre h ALA 283 CO 0.01 0.57 0.21 -0.09 0.00 0.00 0.00 179.25 179.95 3hre h ARG 284 N 0.80 1.06 -0.28 0.00 2.43 -0.81 0.12 114.38 117.70 3hre h ARG 284 Ca 0.16 -0.23 -0.01 0.00 -0.81 0.00 0.00 59.98 59.09 3hre h ARG 284 Cb 0.39 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.78 3hre h ARG 284 CO 0.01 0.92 0.13 0.82 -1.51 0.00 0.00 179.97 180.34 3hre h ILE 285 N 1.00 1.16 -0.30 1.20 2.04 -0.93 -1.68 117.51 120.00 3hre h ILE 285 Ca 0.22 -0.45 0.00 0.00 1.00 0.00 0.00 64.86 65.62 3hre h ILE 285 Cb 0.31 0.95 -0.01 0.00 -0.74 0.00 0.00 36.82 37.32 3hre h ILE 285 CO -0.01 0.16 0.19 0.40 0.00 0.00 0.00 178.15 178.89 3hre h ILE 286 N 0.31 1.09 -0.47 -0.67 1.08 -0.91 -1.56 117.51 116.38 3hre h ILE 286 Ca 0.09 -0.21 -0.06 0.00 -0.39 0.00 0.00 64.86 64.30 3hre h ILE 286 Cb 0.13 0.70 -0.02 0.00 -3.07 0.00 0.00 36.82 34.56 3hre h ILE 286 CO -0.01 0.09 0.05 0.00 -0.69 0.00 0.00 178.15 177.59 3hre h ALA 287 N 1.08 1.21 0.00 1.87 0.00 -0.64 -2.62 119.26 120.17 3hre h ALA 287 Ca 0.11 -0.22 -0.10 0.00 0.00 0.00 0.00 54.91 54.69 3hre h ALA 287 Cb -0.01 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 3hre h ALA 287 CO -0.02 0.53 -0.50 1.05 0.00 0.00 0.00 179.25 180.30 3hre h GLU 288 N 0.71 0.00 -0.30 0.00 4.11 -1.21 -3.15 114.58 114.74 3hre h GLU 288 Ca 0.15 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.58 3hre h GLU 288 Cb 0.36 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.61 3hre h GLU 288 CO 0.01 0.45 0.00 0.41 0.07 0.00 0.00 179.01 179.95 3hre n GLY 289 N 1.22 0.55 0.05 1.06 0.00 -0.60 -5.10 105.19 102.38 3hre n GLY 289 Ca 0.02 -0.40 0.16 0.00 0.00 0.00 0.00 46.02 45.80 3hre n GLY 289 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22