#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qtr s ARG 2 N 0.00 4.68 -0.31 0.03 0.52 -0.49 -4.85 118.95 118.54 2qtr s ARG 2 Ca 0.00 1.65 -0.10 0.00 -0.52 0.00 0.00 55.73 56.76 2qtr s ARG 2 Cb 0.00 -3.27 -0.01 0.00 0.52 0.00 0.00 34.95 32.18 2qtr s ARG 2 CO 0.00 0.22 0.16 0.15 0.02 0.00 0.00 175.30 175.85 2qtr s LYS 3 N -0.72 3.41 -0.06 3.54 1.02 -1.26 -0.20 119.74 125.46 2qtr s LYS 3 Ca 0.46 -0.67 0.06 0.00 0.02 0.00 0.00 55.97 55.83 2qtr s LYS 3 Cb -0.28 -3.58 -0.01 0.00 -0.52 0.00 0.00 37.83 33.44 2qtr s LYS 3 CO 0.35 -0.39 -0.24 0.42 -0.92 0.00 0.00 175.35 174.57 2qtr s ILE 4 N 1.63 1.96 0.15 2.17 1.01 -0.86 -0.58 121.20 126.68 2qtr s ILE 4 Ca 0.05 -1.00 -0.05 0.00 0.00 0.00 0.00 60.65 59.65 2qtr s ILE 4 Cb -0.17 -1.66 -0.06 0.00 0.01 0.00 0.00 42.46 40.58 2qtr s ILE 4 CO 0.07 0.54 0.38 -0.83 0.00 0.00 0.00 174.94 175.10 2qtr s GLY 5 N -0.06 2.23 -0.06 6.18 0.00 -0.26 -0.58 107.32 114.77 2qtr s GLY 5 Ca -0.06 -0.56 0.01 0.00 0.00 0.00 0.00 44.72 44.11 2qtr s GLY 5 CO 0.04 -0.48 -0.05 -0.42 0.00 0.00 0.00 173.10 172.19 2qtr s ILE 6 N -1.67 0.66 -0.27 0.90 1.01 0.57 0.31 121.20 122.71 2qtr s ILE 6 Ca 0.41 -0.15 0.01 0.00 0.00 0.00 0.00 60.65 60.92 2qtr s ILE 6 Cb -0.12 -0.69 0.05 0.00 0.01 0.00 0.00 42.46 41.71 2qtr s ILE 6 CO 0.25 0.27 -0.08 -0.51 0.00 0.00 0.00 174.94 174.86 2qtr s ILE 7 N 1.16 2.45 0.39 2.92 2.07 -0.14 -0.64 121.20 129.41 2qtr s ILE 7 Ca -0.07 -1.48 -0.01 0.00 -1.41 0.00 0.00 60.65 57.68 2qtr s ILE 7 Cb -0.14 -2.39 -0.03 0.00 0.13 0.00 0.00 42.46 40.03 2qtr s ILE 7 CO -0.01 -0.00 0.62 -0.83 -1.91 0.00 0.00 174.94 172.81 2qtr s GLY 8 N 1.17 1.41 0.00 1.50 0.00 -1.26 -0.67 107.32 109.47 2qtr s GLY 8 Ca -0.06 -0.84 0.00 0.00 0.00 0.00 0.00 44.72 43.82 2qtr s GLY 8 CO -0.04 -0.74 0.00 0.61 0.00 0.00 0.00 173.10 172.93 2qtr n GLY 9 N -1.94 -0.74 0.10 0.20 0.00 -0.75 -4.89 105.19 97.16 2qtr n GLY 9 Ca -0.03 -1.16 -0.12 0.00 0.00 0.00 0.00 46.02 44.71 2qtr n GLY 9 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2qtr n THR 10 N -0.55 1.62 -3.54 2.61 -1.04 -1.26 -0.85 114.28 111.26 2qtr n THR 10 Ca 0.00 -0.76 -0.26 0.00 -2.04 0.00 0.00 64.05 61.00 2qtr n THR 10 Cb 0.00 -1.15 0.05 0.00 -1.82 0.00 0.00 70.33 67.41 2qtr n THR 10 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 2qtr n PHE 11 N -3.12 -2.11 -3.32 -1.42 3.01 -1.26 -4.77 117.46 104.47 2qtr n PHE 11 Ca -0.24 0.60 -0.26 0.00 1.01 0.00 0.00 57.45 58.56 2qtr n PHE 11 Cb 1.06 -3.62 -0.08 0.00 -0.01 0.00 0.00 39.48 36.83 2qtr n PHE 11 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 2qtr n ASP 12 N -2.76 2.02 -4.97 4.37 2.03 -1.26 -3.35 116.55 112.63 2qtr n ASP 12 Ca -0.09 -3.07 -0.21 0.00 0.52 0.00 0.00 54.79 51.93 2qtr n ASP 12 Cb 0.60 -0.66 0.01 0.00 -0.72 0.00 0.00 41.12 40.35 2qtr n ASP 12 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 2qtr s PRO 13 N -1.82 2.96 0.55 -0.67 0.04 -1.26 -4.71 135.00 130.09 2qtr s PRO 13 Ca 0.37 -0.71 -0.17 0.00 0.04 0.00 0.00 61.00 60.53 2qtr s PRO 13 Cb 0.15 -2.62 -0.06 0.00 0.04 0.00 0.00 34.50 32.02 2qtr s PRO 13 CO -0.06 -0.28 1.05 -1.25 0.04 0.00 0.00 177.00 176.49 2qtr s PRO 14 N -4.50 3.52 0.31 0.56 0.04 -1.21 -4.66 135.00 129.06 2qtr s PRO 14 Ca 0.50 1.24 -0.03 0.00 0.04 0.00 0.00 61.00 62.74 2qtr s PRO 14 Cb -0.10 -2.06 0.01 0.00 0.04 0.00 0.00 34.50 32.39 2qtr s PRO 14 CO 0.36 -0.65 0.46 -2.39 0.04 0.00 0.00 177.00 174.83 2qtr n HIS 15 N -1.65 -1.45 0.29 0.56 1.44 -1.26 -4.79 115.22 108.37 2qtr n HIS 15 Ca 0.09 -1.97 0.16 0.00 -2.01 0.00 0.00 57.72 53.99 2qtr n HIS 15 Cb 0.53 0.53 0.89 0.00 0.12 0.00 0.00 29.99 32.05 2qtr n HIS 15 CO 0.00 0.00 0.00 1.88 -2.81 0.00 0.00 176.34 175.41 2qtr h TYR 16 N 1.87 0.00 -0.39 -1.40 0.99 -1.65 -1.55 116.97 114.84 2qtr h TYR 16 Ca -0.24 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.47 2qtr h TYR 16 Cb 1.03 0.00 -0.02 0.00 1.00 0.00 0.00 36.73 38.75 2qtr h TYR 16 CO 0.00 0.05 0.20 0.78 -0.00 0.00 0.00 178.16 179.19 2qtr h GLY 17 N 0.60 0.60 0.95 3.88 0.00 -1.88 0.15 103.07 107.38 2qtr h GLY 17 Ca -0.00 -0.29 -0.03 0.00 0.00 0.00 0.00 47.33 47.01 2qtr h GLY 17 CO 0.01 0.28 0.17 0.45 0.00 0.00 0.00 176.54 177.45 2qtr h HIS 18 N 0.50 0.67 -0.47 5.60 3.86 -1.67 -1.75 115.15 121.89 2qtr h HIS 18 Ca 0.14 -0.05 -0.10 0.00 -1.16 0.00 0.00 60.37 59.20 2qtr h HIS 18 Cb 0.10 -0.20 -0.01 0.00 1.06 0.00 0.00 27.41 28.36 2qtr h HIS 18 CO -0.02 0.58 -0.09 -0.07 0.86 0.00 0.00 177.93 179.19 2qtr h LEU 19 N 0.57 0.89 0.13 2.43 3.38 -1.31 -1.95 115.31 119.45 2qtr h LEU 19 Ca 0.15 -0.35 -0.01 0.00 0.09 0.00 0.00 57.88 57.76 2qtr h LEU 19 Cb 0.20 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.71 2qtr h LEU 19 CO -0.01 1.04 -0.06 0.25 0.09 0.00 0.00 178.44 179.74 2qtr h LEU 20 N 0.73 -0.15 -0.74 1.67 5.85 -0.63 -0.82 115.31 121.22 2qtr h LEU 20 Ca 0.12 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.79 2qtr h LEU 20 Cb 0.64 0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.67 2qtr h LEU 20 CO 0.04 -0.04 0.47 0.40 -0.34 0.00 0.00 178.44 178.97 2qtr h ILE 21 N -0.25 1.20 -0.58 4.05 5.03 -1.29 0.11 117.51 125.78 2qtr h ILE 21 Ca -0.02 -0.41 -0.03 0.00 -0.12 0.00 0.00 64.86 64.28 2qtr h ILE 21 Cb 0.19 0.14 -0.03 0.00 -3.03 0.00 0.00 36.82 34.10 2qtr h ILE 21 CO 0.03 0.20 0.24 0.00 -0.68 0.00 0.00 178.15 177.94 2qtr h ALA 22 N 1.25 0.75 -0.37 1.87 0.00 -1.19 -1.62 119.26 119.94 2qtr h ALA 22 Ca 0.27 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 2qtr h ALA 22 Cb -0.07 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 2qtr h ALA 22 CO -0.05 0.36 0.00 -0.97 0.00 0.00 0.00 179.25 178.58 2qtr h ASN 23 N 0.79 0.65 -0.40 0.00 -1.24 -0.70 -0.88 115.58 113.79 2qtr h ASN 23 Ca 0.19 -0.31 0.01 0.00 0.71 0.00 0.00 56.30 56.91 2qtr h ASN 23 Cb 0.19 -0.17 -0.03 0.00 0.73 0.00 0.00 38.32 39.04 2qtr h ASN 23 CO -0.02 0.80 0.24 -0.33 -1.29 0.00 0.00 177.43 176.83 2qtr h GLU 24 N 0.48 0.47 -0.26 6.67 4.39 -0.61 -2.15 114.58 123.58 2qtr h GLU 24 Ca 0.11 -0.03 -0.15 0.00 0.34 0.00 0.00 59.36 59.63 2qtr h GLU 24 Cb 0.46 -0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 29.01 2qtr h GLU 24 CO 0.02 0.31 -0.43 0.28 -1.16 0.00 0.00 179.01 178.03 2qtr h VAL 25 N 0.49 1.30 -0.59 3.13 2.07 -1.26 -0.51 116.25 120.88 2qtr h VAL 25 Ca 0.16 -1.63 0.12 0.00 0.82 0.00 0.00 66.70 66.16 2qtr h VAL 25 Cb -0.01 1.70 -0.09 0.00 -1.52 0.00 0.00 31.29 31.37 2qtr h VAL 25 CO -0.07 0.52 0.05 0.22 0.02 0.00 0.00 177.57 178.31 2qtr h TYR 26 N 0.49 0.05 0.02 1.57 3.20 -0.98 -1.05 116.97 120.27 2qtr h TYR 26 Ca 0.02 0.04 -0.18 0.00 3.14 0.00 0.00 58.73 61.75 2qtr h TYR 26 Cb 1.03 0.07 0.02 0.00 1.54 0.00 0.00 36.73 39.39 2qtr h TYR 26 CO 0.08 -0.11 -0.71 0.45 -1.64 0.00 0.00 178.16 176.23 2qtr h HIS 27 N 0.17 0.68 -0.71 -3.82 3.86 -1.33 -1.45 115.15 112.54 2qtr h HIS 27 Ca 0.31 -0.38 -0.02 0.00 -1.16 0.00 0.00 60.37 59.11 2qtr h HIS 27 Cb 0.48 -0.07 -0.03 0.00 1.06 0.00 0.00 27.41 28.85 2qtr h HIS 27 CO -0.31 1.22 0.36 0.00 0.86 0.00 0.00 177.93 180.06 2qtr h ALA 28 N 0.30 1.30 -0.47 2.45 0.00 -0.87 -2.91 119.26 119.06 2qtr h ALA 28 Ca -0.09 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2qtr h ALA 28 Cb 1.43 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.93 2qtr h ALA 28 CO 0.14 0.55 0.00 1.28 0.00 0.00 0.00 179.25 181.22 2qtr n LEU 29 N -4.35 3.36 -3.84 0.00 4.77 -0.42 -4.99 117.00 111.55 2qtr n LEU 29 Ca 0.07 -1.80 -0.29 0.00 -0.03 0.00 0.00 56.01 53.96 2qtr n LEU 29 Cb 0.12 -0.31 0.01 0.00 -2.33 0.00 0.00 43.42 40.91 2qtr n LEU 29 CO 0.38 0.80 -0.16 -3.20 -1.33 0.00 0.00 177.39 173.89 2qtr n ASN 30 N 1.18 -2.58 -4.84 -1.43 4.05 -0.83 -4.95 115.26 105.86 2qtr n ASN 30 Ca 0.18 -1.02 -0.32 0.00 0.45 0.00 0.00 54.58 53.87 2qtr n ASN 30 Cb 0.53 -3.16 0.01 0.00 1.23 0.00 0.00 39.78 38.39 2qtr n ASN 30 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 2qtr s LEU 31 N -6.78 3.35 0.17 1.20 1.43 -0.61 -4.90 118.68 112.53 2qtr s LEU 31 Ca 0.22 1.59 0.04 0.00 -1.03 0.00 0.00 54.13 54.94 2qtr s LEU 31 Cb -0.08 -4.50 -0.00 0.00 0.03 0.00 0.00 46.19 41.63 2qtr s LEU 31 CO 0.88 -1.01 1.38 -0.08 0.23 0.00 0.00 176.35 177.75 2qtr h GLU 32 N 0.01 0.15 -1.91 1.70 4.81 -1.18 -3.48 114.58 114.68 2qtr h GLU 32 Ca -0.45 -0.17 0.22 0.00 -0.13 0.00 0.00 59.36 58.82 2qtr h GLU 32 Cb 1.20 0.05 -0.13 0.00 0.63 0.00 0.00 28.75 30.50 2qtr h GLU 32 CO 0.60 0.93 0.64 -2.00 -0.73 0.00 0.00 179.01 178.45 2qtr s GLU 33 N -3.17 0.71 -0.09 1.92 2.56 -1.26 -4.99 118.70 114.39 2qtr s GLU 33 Ca -0.02 -0.34 0.03 0.00 0.00 0.00 0.00 54.97 54.63 2qtr s GLU 33 Cb 0.10 0.27 0.01 0.00 2.00 0.00 0.00 34.13 36.52 2qtr s GLU 33 CO 0.82 -0.32 -0.17 0.08 -0.56 0.00 0.00 175.26 175.11 2qtr s VAL 34 N -2.84 1.58 -0.20 3.70 1.01 -0.48 -1.10 120.40 122.07 2qtr s VAL 34 Ca 0.10 -0.72 -0.09 0.00 0.00 0.00 0.00 61.98 61.27 2qtr s VAL 34 Cb 0.00 -1.40 -0.05 0.00 0.00 0.00 0.00 36.38 34.93 2qtr s VAL 34 CO -0.04 0.45 0.11 0.26 0.00 0.00 0.00 175.10 175.89 2qtr s TRP 35 N 0.63 3.33 -0.16 5.22 0.51 0.15 -1.65 118.94 126.98 2qtr s TRP 35 Ca -0.14 0.21 -0.21 0.00 -2.12 0.00 0.00 56.10 53.84 2qtr s TRP 35 Cb -0.16 -2.14 -0.03 0.00 -0.81 0.00 0.00 33.47 30.32 2qtr s TRP 35 CO 0.04 0.20 0.64 -0.06 -0.51 0.00 0.00 176.95 177.26 2qtr s PHE 36 N 0.47 3.43 -0.53 -1.98 0.40 0.72 -0.96 117.98 119.53 2qtr s PHE 36 Ca 0.06 1.00 -0.01 0.00 -0.60 0.00 0.00 56.93 57.39 2qtr s PHE 36 Cb -0.12 -2.78 0.14 0.00 0.51 0.00 0.00 43.02 40.76 2qtr s PHE 36 CO -0.00 -0.09 0.31 -1.17 0.70 0.00 0.00 175.22 174.97 2qtr s LEU 37 N 1.56 5.00 0.11 -0.37 2.96 0.16 -0.71 118.68 127.39 2qtr s LEU 37 Ca 0.31 -2.64 -0.30 0.00 -0.22 0.00 0.00 54.13 51.28 2qtr s LEU 37 Cb -0.16 -1.78 -0.06 0.00 0.50 0.00 0.00 46.19 44.69 2qtr s LEU 37 CO 0.12 -0.38 1.09 -2.16 -1.32 0.00 0.00 176.35 173.70 2qtr s PRO 38 N 0.25 4.56 0.56 0.98 0.04 -1.26 -1.82 135.00 138.33 2qtr s PRO 38 Ca 0.14 1.65 -0.14 0.00 0.04 0.00 0.00 61.00 62.70 2qtr s PRO 38 Cb -0.22 -3.33 -0.06 0.00 0.04 0.00 0.00 34.50 30.93 2qtr s PRO 38 CO -0.03 -0.00 1.00 0.54 0.04 0.00 0.00 177.00 178.55 2qtr s ASN 39 N 0.35 6.43 -0.13 6.66 2.20 -0.03 -4.50 114.94 125.93 2qtr s ASN 39 Ca 0.52 1.49 -0.22 0.00 -0.94 0.00 0.00 52.86 53.71 2qtr s ASN 39 Cb -0.27 -2.49 -0.20 0.00 -2.00 0.00 0.00 41.25 36.29 2qtr s ASN 39 CO 0.32 -0.72 0.62 -0.61 -2.94 0.00 0.00 177.10 173.76 2qtr h GLN 40 N 0.33 -0.01 -3.73 3.55 5.75 -1.92 -3.45 115.11 115.63 2qtr h GLN 40 Ca -0.45 0.00 -0.37 0.00 -0.15 0.00 0.00 58.65 57.68 2qtr h GLN 40 Cb 1.19 0.00 -0.35 0.00 1.07 0.00 0.00 27.48 29.39 2qtr h GLN 40 CO 0.62 0.74 -0.75 0.42 -2.65 0.00 0.00 178.83 177.21 2qtr s ILE 41 N -2.16 0.23 0.28 2.39 1.01 -1.26 -4.92 121.20 116.78 2qtr s ILE 41 Ca -0.15 0.08 -0.30 0.00 0.00 0.00 0.00 60.65 60.29 2qtr s ILE 41 Cb -0.02 -0.34 -0.10 0.00 0.01 0.00 0.00 42.46 42.01 2qtr s ILE 41 CO 0.53 0.17 1.46 -2.16 0.00 0.00 0.00 174.94 174.95 2qtr s PRO 42 N 1.20 4.23 0.28 2.79 0.04 -1.26 -0.11 135.00 142.16 2qtr s PRO 42 Ca -0.07 2.38 0.09 0.00 0.04 0.00 0.00 61.00 63.44 2qtr s PRO 42 Cb -0.13 -3.07 0.39 0.00 0.04 0.00 0.00 34.50 31.72 2qtr s PRO 42 CO -0.02 -0.45 1.64 -1.00 0.04 0.00 0.00 177.00 177.20 2qtr h PRO 43 N 4.64 0.06 -2.00 0.56 0.13 -1.91 -3.41 132.00 130.07 2qtr h PRO 43 Ca -0.47 -0.04 -0.44 0.00 -0.87 0.00 0.00 66.00 64.18 2qtr h PRO 43 Cb 1.22 0.00 -0.32 0.00 0.13 0.00 0.00 31.00 32.04 2qtr h PRO 43 CO 0.76 0.62 -0.78 -1.01 -0.23 0.00 0.00 178.00 177.35 2qtr s HIS 44 N -3.75 0.11 -0.03 1.56 3.76 -1.26 -5.02 115.29 110.66 2qtr s HIS 44 Ca -0.02 -1.45 -0.06 0.00 -0.15 0.00 0.00 55.06 53.37 2qtr s HIS 44 Cb 0.13 -0.52 0.01 0.00 1.11 0.00 0.00 32.58 33.30 2qtr s HIS 44 CO 0.77 -0.96 0.14 0.21 -0.85 0.00 0.00 174.74 174.05 2qtr s LYS 45 N 0.75 0.32 0.26 1.40 2.47 -1.26 -5.12 119.74 118.56 2qtr s LYS 45 Ca 0.26 -0.07 -0.30 0.00 -1.56 0.00 0.00 55.97 54.29 2qtr s LYS 45 Cb -0.06 0.14 -0.13 0.00 -1.46 0.00 0.00 37.83 36.32 2qtr s LYS 45 CO -0.09 -0.06 1.28 0.00 0.16 0.00 0.00 175.35 176.64 2qtr n GLN 46 N 2.28 1.84 -1.75 4.03 0.00 -1.26 -4.84 117.38 117.68 2qtr n GLN 46 Ca -0.17 0.65 -0.42 0.00 0.00 0.00 0.00 57.00 57.06 2qtr n GLN 46 Cb 0.57 -2.22 -0.01 0.00 0.00 0.00 0.00 30.24 28.58 2qtr n GLN 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2qtr n GLY 47 N 1.65 1.27 3.59 2.61 0.00 -1.26 -4.98 105.19 108.07 2qtr n GLY 47 Ca 0.10 0.42 -0.05 0.00 0.00 0.00 0.00 46.02 46.50 2qtr n GLY 47 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2qtr s ARG 48 N -0.95 0.41 -0.46 1.61 1.70 -1.26 -5.11 118.95 114.90 2qtr s ARG 48 Ca 0.61 -0.16 -0.29 0.00 -0.47 0.00 0.00 55.73 55.42 2qtr s ARG 48 Cb -0.50 0.18 0.03 0.00 -0.57 0.00 0.00 34.95 34.09 2qtr s ARG 48 CO 0.53 -0.18 1.16 1.21 -1.08 0.00 0.00 175.30 176.93 2qtr s ASN 49 N -2.31 6.64 0.20 -2.89 2.47 -1.26 -5.00 114.94 112.79 2qtr s ASN 49 Ca 0.09 0.56 -0.23 0.00 0.42 0.00 0.00 52.86 53.70 2qtr s ASN 49 Cb -0.01 -2.55 -0.08 0.00 -1.45 0.00 0.00 41.25 37.16 2qtr s ASN 49 CO -0.05 -1.23 0.76 -0.63 -3.72 0.00 0.00 177.10 172.23 2qtr s ILE 50 N 4.46 4.45 0.36 -5.21 1.01 -1.26 -5.02 121.20 120.00 2qtr s ILE 50 Ca 0.49 1.52 -0.28 0.00 0.00 0.00 0.00 60.65 62.38 2qtr s ILE 50 Cb -0.08 -4.00 -0.12 0.00 0.01 0.00 0.00 42.46 38.28 2qtr s ILE 50 CO 0.30 0.35 1.36 0.41 0.00 0.00 0.00 174.94 177.37 2qtr n THR 51 N 1.13 2.06 -0.98 2.92 -1.04 -1.26 -4.90 114.28 112.21 2qtr n THR 51 Ca -0.04 -0.50 -0.35 0.00 -2.04 0.00 0.00 64.05 61.13 2qtr n THR 51 Cb 0.50 -1.72 0.09 0.00 -1.82 0.00 0.00 70.33 67.37 2qtr n THR 51 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 2qtr n SER 52 N 0.58 -2.46 -0.16 8.00 3.41 -1.26 -4.75 113.62 116.98 2qtr n SER 52 Ca 0.04 0.40 -0.10 0.00 -0.26 0.00 0.00 58.87 58.94 2qtr n SER 52 Cb 0.37 -1.13 -0.00 0.00 -0.26 0.00 0.00 64.21 63.19 2qtr n SER 52 CO 0.00 0.00 0.00 -0.37 -0.16 0.00 0.00 175.04 174.51 2qtr h VAL 53 N -1.07 1.26 -0.88 -3.33 -1.51 -1.91 -2.31 116.25 106.49 2qtr h VAL 53 Ca -0.44 -1.00 0.04 0.00 -1.23 0.00 0.00 66.70 64.07 2qtr h VAL 53 Cb 1.31 0.99 -0.05 0.00 -2.13 0.00 0.00 31.29 31.41 2qtr h VAL 53 CO 0.35 0.35 0.58 1.05 -1.23 0.00 0.00 177.57 178.67 2qtr h GLU 54 N 0.66 1.05 -0.17 5.19 9.09 -1.99 -0.46 114.58 127.95 2qtr h GLU 54 Ca 0.14 -0.06 -0.20 0.00 0.05 0.00 0.00 59.36 59.28 2qtr h GLU 54 Cb 0.46 -0.24 0.00 0.00 -1.65 0.00 0.00 28.75 27.32 2qtr h GLU 54 CO 0.02 0.70 -0.69 0.77 0.05 0.00 0.00 179.01 179.86 2qtr h SER 55 N 1.08 0.82 0.04 3.06 0.02 -1.89 -1.83 113.55 114.85 2qtr h SER 55 Ca 0.35 -0.50 -0.09 0.00 -0.84 0.00 0.00 61.79 60.72 2qtr h SER 55 Cb 0.05 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.33 2qtr h SER 55 CO -0.11 1.28 -0.26 0.03 -1.14 0.00 0.00 176.83 176.63 2qtr h ARG 56 N 0.50 0.36 -0.20 3.45 3.08 -0.89 -1.48 114.38 119.20 2qtr h ARG 56 Ca -0.03 -0.13 -0.07 0.00 0.07 0.00 0.00 59.98 59.83 2qtr h ARG 56 Cb 1.29 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 31.31 2qtr h ARG 56 CO 0.14 0.59 -0.13 -0.07 -1.07 0.00 0.00 179.97 179.42 2qtr h LEU 57 N 0.32 0.47 -0.63 3.04 3.38 -1.00 0.94 115.31 121.84 2qtr h LEU 57 Ca 0.05 -0.44 0.06 0.00 0.09 0.00 0.00 57.88 57.64 2qtr h LEU 57 Cb 0.62 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 41.19 2qtr h LEU 57 CO 0.04 0.81 0.33 1.56 0.09 0.00 0.00 178.44 181.27 2qtr h GLN 58 N 0.14 0.59 -0.44 1.13 1.08 -1.08 0.51 115.11 117.04 2qtr h GLN 58 Ca 0.04 -0.04 -0.07 0.00 -1.45 0.00 0.00 58.65 57.13 2qtr h GLN 58 Cb 0.65 -0.13 -0.02 0.00 -0.05 0.00 0.00 27.48 27.93 2qtr h GLN 58 CO 0.04 0.39 -0.00 0.52 -0.95 0.00 0.00 178.83 178.83 2qtr h MET 59 N 0.61 0.79 -0.79 1.46 2.86 -1.13 -1.44 114.93 117.28 2qtr h MET 59 Ca 0.28 -0.25 -0.01 0.00 -2.06 0.00 0.00 59.70 57.66 2qtr h MET 59 Cb 0.20 -0.07 -0.04 0.00 0.06 0.00 0.00 31.60 31.75 2qtr h MET 59 CO -0.19 0.85 0.44 1.25 1.06 0.00 0.00 176.91 180.32 2qtr h LEU 60 N 0.63 0.97 -0.37 1.22 5.85 0.25 -0.88 115.31 122.98 2qtr h LEU 60 Ca 0.13 -0.07 -0.03 0.00 0.84 0.00 0.00 57.88 58.74 2qtr h LEU 60 Cb 0.49 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.26 2qtr h LEU 60 CO 0.02 0.77 0.11 -0.33 -0.34 0.00 0.00 178.44 178.68 2qtr h GLU 61 N 1.10 0.58 -0.81 1.25 5.08 0.36 -1.26 114.58 120.89 2qtr h GLU 61 Ca 0.28 -0.13 0.01 0.00 -1.00 0.00 0.00 59.36 58.53 2qtr h GLU 61 Cb 0.01 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.13 2qtr h GLU 61 CO -0.05 0.60 0.53 -0.07 -1.00 0.00 0.00 179.01 179.02 2qtr h LEU 62 N 0.45 0.91 -1.04 1.33 3.38 -0.85 0.75 115.31 120.24 2qtr h LEU 62 Ca 0.12 -0.02 -0.09 0.00 0.09 0.00 0.00 57.88 57.98 2qtr h LEU 62 Cb 0.26 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 2qtr h LEU 62 CO -0.00 0.65 -0.43 0.00 0.09 0.00 0.00 178.44 178.75 2qtr h ALA 63 N 1.31 1.11 0.00 1.53 0.00 -0.92 -3.35 119.26 118.94 2qtr h ALA 63 Ca 0.30 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2qtr h ALA 63 Cb -0.10 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.63 2qtr h ALA 63 CO -0.08 0.53 -0.56 0.25 0.00 0.00 0.00 179.25 179.40 2qtr n THR 64 N -3.77 0.00 -0.32 0.00 -2.24 -0.50 -4.79 114.28 102.67 2qtr n THR 64 Ca -0.01 -0.30 0.14 0.00 -2.27 0.00 0.00 64.05 61.61 2qtr n THR 64 Cb 0.49 0.83 0.32 0.00 -2.10 0.00 0.00 70.33 69.88 2qtr n THR 64 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 2qtr h GLU 65 N 0.00 0.49 0.00 -0.78 4.11 0.37 -1.99 114.58 116.78 2qtr h GLU 65 Ca 0.00 -0.03 -0.00 0.00 0.07 0.00 0.00 59.36 59.40 2qtr h GLU 65 Cb 0.19 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.33 2qtr h GLU 65 CO 0.00 0.32 -0.38 0.00 0.07 0.00 0.00 179.01 179.03 2qtr h ALA 66 N 1.70 0.81 -1.64 1.06 0.00 -1.84 -3.43 119.26 115.91 2qtr h ALA 66 Ca 0.58 -0.01 -0.56 0.00 0.00 0.00 0.00 54.91 54.91 2qtr h ALA 66 Cb 1.06 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.77 2qtr h ALA 66 CO -0.48 0.02 0.90 -1.21 0.00 0.00 0.00 179.25 178.47 2qtr s GLU 67 N -3.26 3.51 0.52 0.00 0.41 -0.75 -4.89 118.70 114.24 2qtr s GLU 67 Ca 0.04 0.21 0.25 0.00 -0.41 0.00 0.00 54.97 55.06 2qtr s GLU 67 Cb 0.07 -4.01 1.42 0.00 -1.78 0.00 0.00 34.13 29.83 2qtr s GLU 67 CO 0.72 -1.61 2.09 1.49 -0.49 0.00 0.00 175.26 177.45 2qtr h GLU 68 N 9.46 0.00 -0.00 1.61 4.81 -1.85 -2.13 114.58 126.49 2qtr h GLU 68 Ca -0.25 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.98 2qtr h GLU 68 Cb 1.06 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.44 2qtr h GLU 68 CO 1.16 0.11 -0.06 0.72 -0.73 0.00 0.00 179.01 180.21 2qtr n HIS 69 N -3.82 0.00 -4.74 0.92 8.25 -1.26 -4.79 115.22 109.77 2qtr n HIS 69 Ca -0.02 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.11 2qtr n HIS 69 Cb 0.21 -0.31 -0.14 0.00 1.12 0.00 0.00 29.99 30.87 2qtr n HIS 69 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 2qtr s PHE 70 N -2.69 2.83 0.34 4.41 2.99 -0.80 -1.38 117.98 123.67 2qtr s PHE 70 Ca 0.24 -0.44 0.03 0.00 0.00 0.00 0.00 56.93 56.76 2qtr s PHE 70 Cb 0.20 -1.80 -0.04 0.00 0.00 0.00 0.00 43.02 41.37 2qtr s PHE 70 CO 0.50 -0.06 0.11 0.45 -0.00 0.00 0.00 175.22 176.22 2qtr s SER 71 N 0.02 2.13 -0.12 1.36 0.15 -0.66 -4.82 113.70 111.76 2qtr s SER 71 Ca -0.03 -1.53 0.01 0.00 0.70 0.00 0.00 55.95 55.10 2qtr s SER 71 Cb -0.14 0.27 -0.01 0.00 -1.71 0.00 0.00 66.02 64.43 2qtr s SER 71 CO 0.04 -0.81 -0.15 -0.63 1.20 0.00 0.00 173.24 172.89 2qtr s ILE 72 N -3.41 2.86 -0.28 6.45 1.01 -1.26 -0.20 121.20 126.37 2qtr s ILE 72 Ca 0.32 -0.73 -0.08 0.00 0.00 0.00 0.00 60.65 60.16 2qtr s ILE 72 Cb 0.06 -2.18 -0.01 0.00 0.01 0.00 0.00 42.46 40.33 2qtr s ILE 72 CO 0.15 0.53 0.09 0.00 0.00 0.00 0.00 174.94 175.72 2qtr n LEU 74 N 4.92 4.56 -0.28 0.00 4.32 -1.26 -4.04 117.00 125.21 2qtr n LEU 74 Ca -0.15 -2.31 0.05 0.00 -0.02 0.00 0.00 56.01 53.58 2qtr n LEU 74 Cb 0.50 -0.63 0.19 0.00 -1.62 0.00 0.00 43.42 41.86 2qtr n LEU 74 CO 0.32 0.55 1.09 -0.08 -1.22 0.00 0.00 177.39 178.05 2qtr h GLU 75 N 3.08 0.61 0.00 3.23 4.57 -1.94 -1.50 114.58 122.64 2qtr h GLU 75 Ca 0.00 -0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 58.13 2qtr h GLU 75 Cb 1.59 -0.14 -0.00 0.00 -0.16 0.00 0.00 28.75 30.04 2qtr h GLU 75 CO 0.36 0.41 -0.05 0.93 -1.18 0.00 0.00 179.01 179.48 2qtr h GLU 76 N 0.63 0.00 0.00 1.92 5.08 -1.82 -2.66 114.58 117.74 2qtr h GLU 76 Ca 0.42 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.78 2qtr h GLU 76 Cb 0.54 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.79 2qtr h GLU 76 CO -0.33 0.05 0.00 1.28 -1.00 0.00 0.00 179.01 179.01 2qtr n LEU 77 N -3.16 0.00 -0.16 1.33 4.77 -0.57 -3.28 117.00 115.93 2qtr n LEU 77 Ca 0.01 0.34 0.14 0.00 -0.03 0.00 0.00 56.01 56.47 2qtr n LEU 77 Cb 0.34 -0.34 0.62 0.00 -2.33 0.00 0.00 43.42 41.70 2qtr n LEU 77 CO 0.29 -0.02 0.88 -1.54 -1.33 0.00 0.00 177.39 175.67 2qtr n SER 78 N -1.34 0.61 -4.16 -1.43 3.41 -1.00 -4.90 113.62 104.80 2qtr n SER 78 Ca 0.12 -0.78 -0.14 0.00 -0.26 0.00 0.00 58.87 57.81 2qtr n SER 78 Cb 0.26 -0.04 -0.10 0.00 -0.26 0.00 0.00 64.21 64.07 2qtr n SER 78 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2qtr s ARG 79 N -2.35 1.30 0.82 4.33 1.70 -1.21 -5.14 118.95 118.41 2qtr s ARG 79 Ca 0.32 -1.70 -0.11 0.00 -0.47 0.00 0.00 55.73 53.77 2qtr s ARG 79 Cb 0.20 0.14 0.09 0.00 -0.57 0.00 0.00 34.95 34.81 2qtr s ARG 79 CO 0.45 -0.39 1.14 0.15 -1.08 0.00 0.00 175.30 175.56 2qtr s LYS 80 N -4.07 1.73 0.52 3.89 1.02 -1.26 -4.93 119.74 116.64 2qtr s LYS 80 Ca 0.39 1.45 0.09 0.00 0.02 0.00 0.00 55.97 57.91 2qtr s LYS 80 Cb 0.07 -1.82 0.05 0.00 -0.52 0.00 0.00 37.83 35.62 2qtr s LYS 80 CO 0.14 -2.08 0.67 0.20 -0.92 0.00 0.00 175.35 173.36 2qtr s GLY 81 N -2.80 1.87 0.39 -3.33 0.00 -1.26 -4.58 107.32 97.61 2qtr s GLY 81 Ca 0.66 -1.92 -0.27 0.00 0.00 0.00 0.00 44.72 43.19 2qtr s GLY 81 CO 0.54 -1.65 1.33 -1.05 0.00 0.00 0.00 173.10 172.26 2qtr n PRO 82 N -2.05 2.15 -2.98 2.90 -0.02 -1.26 -4.91 135.00 128.82 2qtr n PRO 82 Ca 0.11 0.76 -0.44 0.00 -2.02 0.00 0.00 63.50 61.91 2qtr n PRO 82 Cb 0.61 -2.43 -0.02 0.00 -0.02 0.00 0.00 33.50 31.63 2qtr n PRO 82 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 2qtr s SER 83 N -0.39 6.71 0.08 2.55 0.01 0.84 -4.90 113.70 118.60 2qtr s SER 83 Ca 0.58 -2.26 -0.30 0.00 1.31 0.00 0.00 55.95 55.27 2qtr s SER 83 Cb -0.52 -2.37 -0.06 0.00 0.21 0.00 0.00 66.02 63.28 2qtr s SER 83 CO 0.60 -0.96 1.17 -0.31 0.41 0.00 0.00 173.24 174.16 2qtr s TYR 84 N 2.20 3.47 0.29 2.43 1.51 -1.26 -4.44 117.35 121.55 2qtr s TYR 84 Ca 0.32 1.37 -0.02 0.00 -1.01 0.00 0.00 57.07 57.74 2qtr s TYR 84 Cb -0.05 -3.38 0.45 0.00 -0.11 0.00 0.00 41.96 38.87 2qtr s TYR 84 CO -0.08 -1.10 1.94 1.15 -1.11 0.00 0.00 175.55 176.34 2qtr h THR 85 N 4.39 1.16 -0.43 -0.71 2.02 -1.95 -2.09 112.91 115.30 2qtr h THR 85 Ca -0.42 -0.39 0.04 0.00 0.77 0.00 0.00 66.41 66.42 2qtr h THR 85 Cb 1.21 -0.07 -0.04 0.00 -1.74 0.00 0.00 68.15 67.51 2qtr h THR 85 CO 0.79 0.21 0.18 0.22 0.37 0.00 0.00 175.52 177.29 2qtr h TYR 86 N 1.12 0.33 -0.32 3.16 3.20 -1.92 0.14 116.97 122.68 2qtr h TYR 86 Ca 0.35 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 62.19 2qtr h TYR 86 Cb 0.01 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.18 2qtr h TYR 86 CO -0.00 0.15 -0.02 -0.44 -1.64 0.00 0.00 178.16 176.20 2qtr h ASP 87 N 0.37 0.48 -0.10 -2.11 3.45 -1.78 0.67 116.42 117.40 2qtr h ASP 87 Ca 0.19 -0.09 -0.04 0.00 0.43 0.00 0.00 57.03 57.52 2qtr h ASP 87 Cb 0.15 -0.12 -0.00 0.00 -0.56 0.00 0.00 39.33 38.79 2qtr h ASP 87 CO -0.17 0.56 -0.09 0.74 -1.57 0.00 0.00 179.24 178.71 2qtr h THR 88 N 0.48 1.36 0.00 0.35 2.02 -0.76 -2.88 112.91 113.48 2qtr h THR 88 Ca 0.10 -1.23 -0.08 0.00 0.77 0.00 0.00 66.41 65.97 2qtr h THR 88 Cb 0.35 1.95 -0.01 0.00 -1.74 0.00 0.00 68.15 68.70 2qtr h THR 88 CO 0.01 0.35 -0.36 0.24 0.37 0.00 0.00 175.52 176.13 2qtr h MET 89 N -0.16 0.00 -0.65 6.66 2.86 -0.55 -0.67 114.93 122.42 2qtr h MET 89 Ca 0.02 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.60 2qtr h MET 89 Cb 0.60 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.23 2qtr h MET 89 CO 0.02 0.36 0.19 1.25 1.06 0.00 0.00 176.91 179.80 2qtr h LEU 90 N 0.00 0.96 -0.23 1.22 7.12 -0.87 -0.34 115.31 123.17 2qtr h LEU 90 Ca -0.00 -0.22 -0.09 0.00 0.13 0.00 0.00 57.88 57.70 2qtr h LEU 90 Cb 0.98 -0.25 -0.00 0.00 -0.53 0.00 0.00 40.66 40.85 2qtr h LEU 90 CO 0.05 0.92 -0.19 -0.61 -0.13 0.00 0.00 178.44 178.48 2qtr h GLN 91 N 0.95 0.54 -0.29 1.25 5.75 -1.20 -2.99 115.11 119.12 2qtr h GLN 91 Ca 0.21 -0.27 -0.15 0.00 -0.15 0.00 0.00 58.65 58.29 2qtr h GLN 91 Cb 0.32 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.86 2qtr h GLN 91 CO -0.00 0.85 -0.42 -0.07 -2.65 0.00 0.00 178.83 176.53 2qtr h LEU 92 N 0.24 0.77 -0.78 -2.39 3.38 -1.01 -1.28 115.31 114.23 2qtr h LEU 92 Ca 0.04 -0.36 -0.09 0.00 0.09 0.00 0.00 57.88 57.57 2qtr h LEU 92 Cb 0.73 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 2qtr h LEU 92 CO 0.05 1.09 -0.04 0.71 0.09 0.00 0.00 178.44 180.33 2qtr h THR 93 N 0.58 1.26 -0.21 0.22 1.35 -1.13 0.14 112.91 115.12 2qtr h THR 93 Ca 0.04 -1.12 -0.14 0.00 -0.55 0.00 0.00 66.41 64.65 2qtr h THR 93 Cb 0.97 0.92 -0.01 0.00 -1.73 0.00 0.00 68.15 68.30 2qtr h THR 93 CO 0.09 0.39 -0.45 0.11 -0.25 0.00 0.00 175.52 175.41 2qtr h LYS 94 N 0.80 0.52 -0.04 4.72 1.57 -1.45 -2.90 116.57 119.79 2qtr h LYS 94 Ca 0.14 -0.28 -0.18 0.00 -1.87 0.00 0.00 60.65 58.46 2qtr h LYS 94 Cb 0.54 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.86 2qtr h LYS 94 CO 0.03 0.87 -0.77 -0.22 -0.57 0.00 0.00 179.45 178.79 2qtr h LYS 95 N 0.42 0.30 -2.43 3.15 3.64 -0.72 -3.37 116.57 117.57 2qtr h LYS 95 Ca 0.03 -0.27 -0.60 0.00 -1.27 0.00 0.00 60.65 58.54 2qtr h LYS 95 Cb 0.96 0.06 -0.41 0.00 -0.41 0.00 0.00 32.23 32.43 2qtr h LYS 95 CO 0.08 0.93 -0.67 0.66 -2.27 0.00 0.00 179.45 178.19 2qtr n TYR 96 N -3.78 2.78 0.31 1.91 4.02 0.46 -4.95 117.16 117.91 2qtr n TYR 96 Ca -0.04 -4.08 0.19 0.00 -0.01 0.00 0.00 57.90 53.96 2qtr n TYR 96 Cb 0.73 -0.50 1.04 0.00 -0.02 0.00 0.00 39.34 40.59 2qtr n TYR 96 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 2qtr h PRO 97 N 4.58 0.00 -0.73 -0.72 0.13 -1.68 -2.30 132.00 131.27 2qtr h PRO 97 Ca 0.17 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.24 2qtr h PRO 97 Cb 0.73 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.82 2qtr h PRO 97 CO 0.73 0.01 0.09 -3.47 -0.23 0.00 0.00 178.00 175.13 2qtr n ASP 98 N -3.43 4.50 -4.22 1.44 4.64 -1.26 -4.89 116.55 113.33 2qtr n ASP 98 Ca -0.03 -2.81 -0.32 0.00 -1.38 0.00 0.00 54.79 50.25 2qtr n ASP 98 Cb 0.10 -0.67 -0.17 0.00 -1.04 0.00 0.00 41.12 39.34 2qtr n ASP 98 CO 0.00 0.00 0.00 -0.69 -0.82 0.00 0.00 177.20 175.69 2qtr s VAL 99 N -2.40 2.01 -0.41 5.18 1.01 -0.87 -1.39 120.40 123.53 2qtr s VAL 99 Ca 0.43 -1.00 -0.17 0.00 0.00 0.00 0.00 61.98 61.24 2qtr s VAL 99 Cb 0.33 -1.74 0.02 0.00 0.00 0.00 0.00 36.38 34.99 2qtr s VAL 99 CO 0.12 0.55 0.41 -1.58 0.00 0.00 0.00 175.10 174.60 2qtr s GLN 100 N 0.25 3.14 -0.05 2.72 0.74 0.72 -4.95 119.66 122.22 2qtr s GLN 100 Ca -0.16 -0.75 -0.23 0.00 0.05 0.00 0.00 55.36 54.27 2qtr s GLN 100 Cb -0.17 -3.95 -0.04 0.00 1.10 0.00 0.00 33.01 29.95 2qtr s GLN 100 CO 0.08 -0.80 0.68 -0.06 -0.55 0.00 0.00 175.29 174.64 2qtr s PHE 101 N 2.06 3.60 -0.33 1.67 0.40 -1.26 -2.04 117.98 122.08 2qtr s PHE 101 Ca 0.11 1.25 -0.03 0.00 -0.60 0.00 0.00 56.93 57.66 2qtr s PHE 101 Cb -0.17 -2.77 0.06 0.00 0.51 0.00 0.00 43.02 40.65 2qtr s PHE 101 CO 0.13 0.14 0.07 -1.01 0.70 0.00 0.00 175.22 175.25 2qtr s HIS 102 N 0.58 3.34 -0.40 0.36 3.76 0.26 -1.17 115.29 122.02 2qtr s HIS 102 Ca 0.36 -1.90 -0.21 0.00 -0.15 0.00 0.00 55.06 53.16 2qtr s HIS 102 Cb -0.18 -2.42 0.02 0.00 1.11 0.00 0.00 32.58 31.11 2qtr s HIS 102 CO 0.18 -0.83 0.69 0.12 -0.85 0.00 0.00 174.74 174.06 2qtr s PHE 103 N 1.26 3.08 -0.10 1.40 5.36 -0.39 -0.32 117.98 128.28 2qtr s PHE 103 Ca -0.01 0.21 -0.23 0.00 -0.96 0.00 0.00 56.93 55.94 2qtr s PHE 103 Cb -0.20 -3.36 -0.03 0.00 -0.34 0.00 0.00 43.02 39.08 2qtr s PHE 103 CO -0.01 -0.80 0.69 0.42 -1.46 0.00 0.00 175.22 174.06 2qtr s ILE 104 N 2.94 5.03 0.01 3.12 1.01 0.18 -0.67 121.20 132.82 2qtr s ILE 104 Ca 0.26 1.40 0.02 0.00 0.00 0.00 0.00 60.65 62.33 2qtr s ILE 104 Cb -0.14 -4.03 -0.01 0.00 0.01 0.00 0.00 42.46 38.30 2qtr s ILE 104 CO 0.18 0.21 -0.07 0.27 0.00 0.00 0.00 174.94 175.53 2qtr s ILE 105 N 1.10 0.54 0.84 2.92 -4.36 -0.48 -4.43 121.20 117.32 2qtr s ILE 105 Ca 0.36 -0.57 -0.11 0.00 -0.26 0.00 0.00 60.65 60.06 2qtr s ILE 105 Cb -0.17 -0.51 0.13 0.00 1.25 0.00 0.00 42.46 43.16 2qtr s ILE 105 CO 0.16 -0.04 1.18 -0.83 0.24 0.00 0.00 174.94 175.65 2qtr s GLY 106 N -0.67 1.70 0.30 6.27 0.00 -1.26 -1.50 107.32 112.16 2qtr s GLY 106 Ca -0.02 -1.04 0.05 0.00 0.00 0.00 0.00 44.72 43.71 2qtr s GLY 106 CO 0.00 -0.45 1.78 -1.33 0.00 0.00 0.00 173.10 173.10 2qtr h GLY 107 N -1.13 1.75 1.85 0.20 0.00 -1.08 -1.07 103.07 103.58 2qtr h GLY 107 Ca -0.44 -0.36 0.01 0.00 0.00 0.00 0.00 47.33 46.54 2qtr h GLY 107 CO 0.51 -0.03 0.06 1.29 0.00 0.00 0.00 176.54 178.37 2qtr h ASP 108 N 0.79 0.00 0.44 0.19 2.03 -1.87 -2.09 116.42 115.90 2qtr h ASP 108 Ca 0.56 0.00 -0.30 0.00 -0.73 0.00 0.00 57.03 56.56 2qtr h ASP 108 Cb 0.83 0.00 -0.04 0.00 -0.83 0.00 0.00 39.33 39.29 2qtr h ASP 108 CO -0.37 0.00 -1.72 -0.03 -1.03 0.00 0.00 179.24 176.09 2qtr h MET 109 N 0.00 0.07 -0.72 4.15 4.05 -1.55 -3.32 114.93 117.60 2qtr h MET 109 Ca 0.02 -0.12 0.07 0.00 -0.28 0.00 0.00 59.70 59.40 2qtr h MET 109 Cb 0.15 0.04 -0.06 0.00 -0.80 0.00 0.00 31.60 30.93 2qtr h MET 109 CO -0.00 0.70 0.40 0.28 0.23 0.00 0.00 176.91 178.52 2qtr h VAL 110 N 0.02 0.94 -0.56 -5.77 2.07 -1.14 -0.35 116.25 111.46 2qtr h VAL 110 Ca -0.30 -0.24 -0.01 0.00 0.82 0.00 0.00 66.70 66.96 2qtr h VAL 110 Cb 2.01 0.16 -0.03 0.00 -1.52 0.00 0.00 31.29 31.91 2qtr h VAL 110 CO 0.09 0.13 0.29 -0.33 0.02 0.00 0.00 177.57 177.77 2qtr h GLU 111 N 0.71 0.78 0.00 1.57 5.08 -1.68 -2.66 114.58 118.39 2qtr h GLU 111 Ca 0.34 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.61 2qtr h GLU 111 Cb 0.26 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.35 2qtr h GLU 111 CO -0.21 0.59 -0.07 0.98 -1.00 0.00 0.00 179.01 179.29 2qtr n TYR 112 N -4.38 0.66 -0.50 4.33 9.36 -0.25 -4.33 117.16 122.05 2qtr n TYR 112 Ca 0.05 0.19 0.41 0.00 3.32 0.00 0.00 57.90 61.88 2qtr n TYR 112 Cb 0.11 -0.80 0.70 0.00 -0.63 0.00 0.00 39.34 38.72 2qtr n TYR 112 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 2qtr h LEU 113 N 0.00 0.17 -2.16 2.98 3.38 -0.90 0.34 115.31 119.12 2qtr h LEU 113 Ca 0.00 0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.09 2qtr h LEU 113 Cb 0.68 0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.54 2qtr h LEU 113 CO 0.00 -0.18 0.00 -0.65 0.09 0.00 0.00 178.44 177.70 2qtr h PRO 114 N 0.03 0.00 -0.05 1.13 0.11 -1.83 -2.55 132.00 128.84 2qtr h PRO 114 Ca 0.86 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.97 2qtr h PRO 114 Cb 2.91 0.00 0.00 0.00 0.11 0.00 0.00 31.00 34.02 2qtr h PRO 114 CO -0.36 0.00 0.00 1.63 -0.21 0.00 0.00 178.00 179.06 2qtr n LYS 115 N -3.04 2.14 -2.46 1.05 4.76 0.12 -4.95 118.16 115.77 2qtr n LYS 115 Ca -0.01 -1.66 -0.40 0.00 -2.87 0.00 0.00 58.31 53.36 2qtr n LYS 115 Cb 0.19 -1.47 -0.04 0.00 -1.84 0.00 0.00 35.03 31.87 2qtr n LYS 115 CO 0.00 0.00 0.00 -1.58 -1.37 0.00 0.00 177.40 174.45 2qtr s TRP 116 N -1.97 3.55 0.19 2.13 0.52 -0.96 -4.95 118.94 117.44 2qtr s TRP 116 Ca 0.31 1.65 -0.33 0.00 0.02 0.00 0.00 56.10 57.75 2qtr s TRP 116 Cb 0.20 -3.31 -0.13 0.00 -1.15 0.00 0.00 33.47 29.09 2qtr s TRP 116 CO 0.31 -0.66 1.64 0.98 0.02 0.00 0.00 176.95 179.24 2qtr n TYR 117 N 1.51 2.50 -3.78 -1.98 -0.00 -1.26 -2.42 117.16 111.74 2qtr n TYR 117 Ca 0.00 0.17 -0.29 0.00 -0.00 0.00 0.00 57.90 57.78 2qtr n TYR 117 Cb 0.45 -2.60 0.03 0.00 -0.00 0.00 0.00 39.34 37.21 2qtr n TYR 117 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.86 175.15 2qtr n ASN 118 N 3.60 -4.98 -0.24 2.98 5.15 -1.26 -4.56 115.26 115.95 2qtr n ASN 118 Ca 0.16 -0.69 0.07 0.00 -0.60 0.00 0.00 54.58 53.52 2qtr n ASN 118 Cb 0.32 -3.98 0.33 0.00 -0.53 0.00 0.00 39.78 35.91 2qtr n ASN 118 CO 0.00 0.00 0.00 -0.29 1.40 0.00 0.00 177.26 178.37 2qtr h ILE 119 N -2.00 0.99 -0.19 -1.44 6.09 -1.80 -0.53 117.51 118.63 2qtr h ILE 119 Ca -0.56 -0.28 0.01 0.00 -1.37 0.00 0.00 64.86 62.66 2qtr h ILE 119 Cb 1.37 0.09 -0.01 0.00 0.47 0.00 0.00 36.82 38.74 2qtr h ILE 119 CO 0.64 0.15 0.09 -0.08 -3.07 0.00 0.00 178.15 175.89 2qtr h GLU 120 N 0.82 0.19 -0.00 2.19 4.81 -1.89 -1.98 114.58 118.72 2qtr h GLU 120 Ca 0.37 -0.01 -0.15 0.00 -0.13 0.00 0.00 59.36 59.44 2qtr h GLU 120 Cb 0.36 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.67 2qtr h GLU 120 CO -0.14 0.13 -0.71 0.00 -0.73 0.00 0.00 179.01 177.56 2qtr h ALA 121 N 1.09 0.82 -0.12 2.92 0.00 -1.80 -3.11 119.26 119.06 2qtr h ALA 121 Ca 0.08 -0.64 -0.06 0.00 0.00 0.00 0.00 54.91 54.28 2qtr h ALA 121 Cb 0.02 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2qtr h ALA 121 CO -0.05 0.88 -0.21 1.25 0.00 0.00 0.00 179.25 181.12 2qtr h LEU 122 N 0.01 0.20 -2.40 0.00 5.85 -0.83 -1.87 115.31 116.26 2qtr h LEU 122 Ca -0.01 -0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.66 2qtr h LEU 122 Cb 1.25 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 42.23 2qtr h LEU 122 CO 0.09 0.42 -0.03 -0.07 -0.34 0.00 0.00 178.44 178.51 2qtr h LEU 123 N 0.19 0.00 -0.31 2.25 3.38 -1.29 -0.26 115.31 119.27 2qtr h LEU 123 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2qtr h LEU 123 Cb 0.48 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.23 2qtr h LEU 123 CO 0.03 0.03 -0.18 0.47 0.09 0.00 0.00 178.44 178.88 2qtr n ASP 124 N -3.58 0.66 -0.06 -0.43 8.00 -0.71 -3.92 116.55 116.52 2qtr n ASP 124 Ca -0.03 -0.64 -0.04 0.00 0.71 0.00 0.00 54.79 54.80 2qtr n ASP 124 Cb 0.13 0.01 -0.13 0.00 -0.02 0.00 0.00 41.12 41.11 2qtr n ASP 124 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2qtr n LEU 125 N -0.89 0.00 -4.19 0.64 4.77 -0.15 -5.04 117.00 112.13 2qtr n LEU 125 Ca 0.13 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.99 2qtr n LEU 125 Cb 0.31 0.30 -0.10 0.00 -2.33 0.00 0.00 43.42 41.60 2qtr n LEU 125 CO 0.25 0.30 -0.26 0.68 -1.33 0.00 0.00 177.39 177.03 2qtr s VAL 126 N -2.59 0.10 -0.27 4.08 -7.23 -0.94 -4.63 120.40 108.93 2qtr s VAL 126 Ca -0.08 -1.97 -0.04 0.00 -1.81 0.00 0.00 61.98 58.09 2qtr s VAL 126 Cb 0.06 -2.34 0.02 0.00 0.56 0.00 0.00 36.38 34.68 2qtr s VAL 126 CO 0.67 -0.18 0.00 -0.89 -0.31 0.00 0.00 175.10 174.39 2qtr s THR 127 N -4.07 3.34 0.23 5.32 2.01 -0.31 -4.69 115.64 117.46 2qtr s THR 127 Ca 0.33 -0.90 -0.30 0.00 0.31 0.00 0.00 61.69 61.13 2qtr s THR 127 Cb 0.07 -2.72 -0.09 0.00 0.01 0.00 0.00 72.50 69.78 2qtr s THR 127 CO 0.08 0.13 1.11 -0.36 -0.69 0.00 0.00 174.62 174.90 2qtr s PHE 128 N 1.39 3.58 -0.24 4.92 0.08 -1.26 -1.26 117.98 125.19 2qtr s PHE 128 Ca 0.01 1.63 0.01 0.00 0.12 0.00 0.00 56.93 58.70 2qtr s PHE 128 Cb -0.17 -3.29 0.04 0.00 -0.57 0.00 0.00 43.02 39.03 2qtr s PHE 128 CO -0.01 -0.63 -0.11 0.08 -0.10 0.00 0.00 175.22 174.45 2qtr s VAL 129 N -0.68 2.43 -0.06 -0.44 1.01 0.15 -0.33 120.40 122.47 2qtr s VAL 129 Ca 0.47 -1.27 -0.12 0.00 0.00 0.00 0.00 61.98 61.06 2qtr s VAL 129 Cb -0.31 -2.28 -0.05 0.00 0.00 0.00 0.00 36.38 33.74 2qtr s VAL 129 CO 0.38 0.16 0.30 -0.83 0.00 0.00 0.00 175.10 175.11 2qtr s GLY 130 N 1.22 2.33 -0.00 4.51 0.00 0.19 -1.38 107.32 114.19 2qtr s GLY 130 Ca -0.03 -0.40 0.05 0.00 0.00 0.00 0.00 44.72 44.34 2qtr s GLY 130 CO -0.06 0.01 -0.15 0.54 0.00 0.00 0.00 173.10 173.44 2qtr s VAL 131 N -0.83 1.18 0.47 1.40 0.11 -0.56 -1.91 120.40 120.26 2qtr s VAL 131 Ca 0.20 -0.71 -0.24 0.00 -2.93 0.00 0.00 61.98 58.29 2qtr s VAL 131 Cb -0.15 -1.00 -0.08 0.00 -1.53 0.00 0.00 36.38 33.63 2qtr s VAL 131 CO 0.09 0.27 1.39 0.00 -3.33 0.00 0.00 175.10 173.52 2qtr n ALA 132 N 2.55 1.81 -3.76 1.54 0.00 -1.26 -0.58 120.51 120.81 2qtr n ALA 132 Ca -0.15 0.22 -0.15 0.00 0.00 0.00 0.00 53.44 53.36 2qtr n ALA 132 Cb 0.55 -2.36 -0.16 0.00 0.00 0.00 0.00 19.45 17.47 2qtr n ALA 132 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2qtr s ARG 133 N -2.52 -0.02 0.14 0.00 3.52 -1.26 -4.57 118.95 114.23 2qtr s ARG 133 Ca 0.64 0.23 -0.34 0.00 -0.13 0.00 0.00 55.73 56.12 2qtr s ARG 133 Cb -0.45 -0.25 -0.16 0.00 -1.56 0.00 0.00 34.95 32.53 2qtr s ARG 133 CO 0.55 -0.18 1.27 -2.30 -0.81 0.00 0.00 175.30 173.84 2qtr n PRO 134 N 4.26 1.25 -0.78 5.12 -0.02 -1.26 -1.74 135.00 141.83 2qtr n PRO 134 Ca -0.26 0.45 0.00 0.00 -2.02 0.00 0.00 63.50 61.67 2qtr n PRO 134 Cb 0.50 -2.03 0.00 0.00 -0.02 0.00 0.00 33.50 31.95 2qtr n PRO 134 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2qtr n GLY 135 N 2.31 0.81 3.16 -1.23 0.00 -1.26 -5.02 105.19 103.96 2qtr n GLY 135 Ca 0.16 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.97 2qtr n GLY 135 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2qtr s TYR 136 N -3.09 1.37 0.05 1.61 1.51 -0.71 -5.04 117.35 113.06 2qtr s TYR 136 Ca 0.00 -0.34 -0.18 0.00 -1.01 0.00 0.00 57.07 55.54 2qtr s TYR 136 Cb 0.00 -0.82 -0.06 0.00 -0.11 0.00 0.00 41.96 40.97 2qtr s TYR 136 CO 0.00 0.04 0.52 -1.59 -1.11 0.00 0.00 175.55 173.41 2qtr s LYS 137 N -1.04 4.12 0.03 -0.62 -2.85 -1.26 -4.59 119.74 113.53 2qtr s LYS 137 Ca 0.03 0.64 0.22 0.00 -1.00 0.00 0.00 55.97 55.86 2qtr s LYS 137 Cb -0.08 -3.23 -0.22 0.00 -2.06 0.00 0.00 37.83 32.24 2qtr s LYS 137 CO 0.01 0.65 0.63 -0.11 0.10 0.00 0.00 175.35 176.64 2qtr n LEU 138 N 1.72 0.30 -4.75 2.77 0.00 -1.26 -4.39 117.00 111.39 2qtr n LEU 138 Ca -0.11 0.12 -0.40 0.00 0.00 0.00 0.00 56.01 55.62 2qtr n LEU 138 Cb 0.51 0.02 0.02 0.00 0.00 0.00 0.00 43.42 43.98 2qtr n LEU 138 CO 0.40 -0.01 1.04 -2.11 0.00 0.00 0.00 177.39 176.71 2qtr n ARG 139 N -2.46 2.11 -3.51 1.96 1.85 -1.26 -4.97 116.66 110.38 2qtr n ARG 139 Ca -0.05 0.75 -0.11 0.00 -1.00 0.00 0.00 57.85 57.44 2qtr n ARG 139 Cb 0.62 -2.60 -0.03 0.00 -1.05 0.00 0.00 32.46 29.40 2qtr n ARG 139 CO 0.00 0.00 0.00 -0.08 -0.01 0.00 0.00 177.63 177.54 2qtr s THR 140 N -1.21 0.00 -1.62 8.89 -1.32 -1.26 -4.90 115.64 114.22 2qtr s THR 140 Ca 0.63 0.00 0.28 0.00 -1.21 0.00 0.00 61.69 61.40 2qtr s THR 140 Cb -0.45 -1.00 0.42 0.00 -1.51 0.00 0.00 72.50 69.96 2qtr s THR 140 CO 0.56 0.00 1.82 -0.81 -2.21 0.00 0.00 174.62 173.98 2qtr n PRO 141 N 0.14 0.67 -3.13 7.08 -0.04 -1.26 -4.86 135.00 133.59 2qtr n PRO 141 Ca -0.12 -0.25 -0.32 0.00 -0.04 0.00 0.00 63.50 62.78 2qtr n PRO 141 Cb 0.61 -1.49 -0.06 0.00 -0.04 0.00 0.00 33.50 32.51 2qtr n PRO 141 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 2qtr s TYR 142 N -2.50 3.38 -1.31 0.54 1.51 -1.26 -4.97 117.35 112.73 2qtr s TYR 142 Ca 0.28 1.19 -0.14 0.00 -1.01 0.00 0.00 57.07 57.39 2qtr s TYR 142 Cb 0.20 -2.52 -0.03 0.00 -0.11 0.00 0.00 41.96 39.50 2qtr s TYR 142 CO 0.49 0.09 2.31 -0.35 -1.11 0.00 0.00 175.55 176.98 2qtr n PRO 143 N -0.41 2.69 -3.45 -1.71 -0.04 -1.26 -4.94 135.00 125.88 2qtr n PRO 143 Ca 0.03 -2.27 -0.25 0.00 -0.04 0.00 0.00 63.50 60.97 2qtr n PRO 143 Cb 0.53 -3.04 -0.02 0.00 -0.04 0.00 0.00 33.50 30.93 2qtr n PRO 143 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 2qtr s ILE 144 N 3.36 5.11 -0.07 0.52 -4.36 -1.26 -4.66 121.20 119.84 2qtr s ILE 144 Ca 0.53 -0.36 -0.12 0.00 -0.26 0.00 0.00 60.65 60.44 2qtr s ILE 144 Cb 0.15 -3.81 -0.05 0.00 1.25 0.00 0.00 42.46 39.99 2qtr s ILE 144 CO -0.04 -0.44 0.29 -0.89 0.24 0.00 0.00 174.94 174.11 2qtr s THR 145 N -2.18 5.25 -0.08 8.37 2.01 0.55 -4.93 115.64 124.62 2qtr s THR 145 Ca 0.40 0.57 0.01 0.00 0.31 0.00 0.00 61.69 62.98 2qtr s THR 145 Cb -0.10 -3.59 -0.02 0.00 0.01 0.00 0.00 72.50 68.80 2qtr s THR 145 CO 0.33 0.56 -0.11 0.42 -0.69 0.00 0.00 174.62 175.13 2qtr s THR 146 N -0.76 3.31 -0.13 -0.82 -4.23 -1.26 0.54 115.64 112.29 2qtr s THR 146 Ca 0.19 -0.61 0.02 0.00 -1.18 0.00 0.00 61.69 60.12 2qtr s THR 146 Cb -0.14 -2.35 0.00 0.00 1.34 0.00 0.00 72.50 71.35 2qtr s THR 146 CO 0.08 0.57 -0.21 -0.69 -0.54 0.00 0.00 174.62 173.84 2qtr s VAL 147 N -0.41 2.27 -0.15 2.29 1.01 -0.80 -4.95 120.40 119.66 2qtr s VAL 147 Ca 0.05 -0.93 -0.27 0.00 0.00 0.00 0.00 61.98 60.83 2qtr s VAL 147 Cb -0.12 -1.91 -0.01 0.00 0.00 0.00 0.00 36.38 34.34 2qtr s VAL 147 CO 0.02 0.54 0.92 -1.61 0.00 0.00 0.00 175.10 174.98 2qtr s GLU 148 N 0.58 4.34 0.19 2.72 2.02 -1.26 -4.27 118.70 123.03 2qtr s GLU 148 Ca -0.12 1.21 0.04 0.00 0.02 0.00 0.00 54.97 56.11 2qtr s GLU 148 Cb -0.16 -3.57 -0.05 0.00 0.10 0.00 0.00 34.13 30.45 2qtr s GLU 148 CO 0.03 -0.35 -0.03 0.96 0.02 0.00 0.00 175.26 175.89 2qtr s ILE 149 N 2.20 1.02 -0.96 -1.63 -4.36 -1.26 -5.06 121.20 111.15 2qtr s ILE 149 Ca 0.43 -2.03 -0.24 0.00 -0.26 0.00 0.00 60.65 58.55 2qtr s ILE 149 Cb -0.17 -2.15 0.05 0.00 1.25 0.00 0.00 42.46 41.44 2qtr s ILE 149 CO 0.14 -0.48 1.40 -2.84 0.24 0.00 0.00 174.94 173.40 2qtr s PRO 150 N -3.83 3.50 0.32 0.37 0.02 -1.26 -4.90 135.00 129.21 2qtr s PRO 150 Ca 0.24 -0.95 -0.25 0.00 0.02 0.00 0.00 61.00 60.05 2qtr s PRO 150 Cb 0.05 -5.10 -0.15 0.00 0.02 0.00 0.00 34.50 29.32 2qtr s PRO 150 CO 0.05 -2.18 0.59 0.39 -0.33 0.00 0.00 177.00 175.52 2qtr n GLU 151 N 8.92 0.51 -3.66 5.54 1.02 -1.26 -5.01 120.64 126.69 2qtr n GLU 151 Ca 0.26 0.18 -0.22 0.00 -0.02 0.00 0.00 57.16 57.36 2qtr n GLU 151 Cb 0.50 -1.37 -0.18 0.00 -0.02 0.00 0.00 31.44 30.38 2qtr n GLU 151 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 2qtr s PHE 152 N -1.25 0.19 0.00 -0.32 5.99 -1.26 -4.98 117.98 116.35 2qtr s PHE 152 Ca 0.62 0.01 0.00 0.00 0.00 0.00 0.00 56.93 57.56 2qtr s PHE 152 Cb -0.73 -0.59 0.00 0.00 0.00 0.00 0.00 43.02 41.69 2qtr s PHE 152 CO 0.58 -0.31 1.04 0.00 -0.00 0.00 0.00 175.22 176.53 2qtr n ALA 153 N 5.27 2.62 -1.87 11.12 0.00 -1.26 -4.77 120.51 131.62 2qtr n ALA 153 Ca -0.05 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.00 2qtr n ALA 153 Cb 0.50 -1.02 -0.06 0.00 0.00 0.00 0.00 19.45 18.86 2qtr n ALA 153 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2qtr s VAL 154 N 0.14 4.23 0.04 0.00 0.11 -1.26 -5.06 120.40 118.60 2qtr s VAL 154 Ca 0.00 1.86 -0.01 0.00 -2.93 0.00 0.00 61.98 60.91 2qtr s VAL 154 Cb 0.00 -4.20 -0.03 0.00 -1.53 0.00 0.00 36.38 30.62 2qtr s VAL 154 CO 0.00 0.47 -0.03 -0.94 -3.33 0.00 0.00 175.10 171.26 2qtr s SER 155 N -1.23 0.40 0.26 3.54 1.04 -1.26 -4.82 113.70 111.63 2qtr s SER 155 Ca 0.40 -0.79 -0.02 0.00 0.48 0.00 0.00 55.95 56.02 2qtr s SER 155 Cb -0.24 0.15 0.33 0.00 0.10 0.00 0.00 66.02 66.36 2qtr s SER 155 CO 0.28 -0.47 1.76 0.28 0.98 0.00 0.00 173.24 176.08 2qtr h SER 156 N 3.79 0.78 -0.48 7.02 0.02 -1.88 -1.79 113.55 121.01 2qtr h SER 156 Ca -0.33 -0.18 -0.08 0.00 -0.84 0.00 0.00 61.79 60.36 2qtr h SER 156 Cb 1.17 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 63.48 2qtr h SER 156 CO 0.55 0.83 0.02 0.77 -1.14 0.00 0.00 176.83 177.86 2qtr h SER 157 N 0.76 0.87 -0.65 3.07 4.64 -1.95 0.35 113.55 120.64 2qtr h SER 157 Ca 0.15 -0.22 -0.05 0.00 -0.47 0.00 0.00 61.79 61.21 2qtr h SER 157 Cb 0.43 -0.23 -0.03 0.00 -0.31 0.00 0.00 62.40 62.27 2qtr h SER 157 CO 0.02 0.92 0.22 0.25 -0.87 0.00 0.00 176.83 177.37 2qtr h LEU 158 N 0.84 0.93 -0.47 5.97 6.46 -1.86 -1.96 115.31 125.21 2qtr h LEU 158 Ca 0.16 -0.20 -0.12 0.00 -0.12 0.00 0.00 57.88 57.60 2qtr h LEU 158 Cb 0.47 -0.24 -0.01 0.00 -0.73 0.00 0.00 40.66 40.15 2qtr h LEU 158 CO 0.02 0.88 -0.18 -0.07 -0.62 0.00 0.00 178.44 178.47 2qtr h LEU 159 N 0.93 0.98 -0.54 2.25 3.38 -0.86 -1.62 115.31 119.84 2qtr h LEU 159 Ca 0.21 -0.38 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 2qtr h LEU 159 Cb 0.27 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 2qtr h LEU 159 CO -0.01 1.14 0.30 0.03 0.09 0.00 0.00 178.44 179.99 2qtr h ARG 160 N 0.81 0.75 -0.65 1.13 3.08 -0.77 -1.00 114.38 117.74 2qtr h ARG 160 Ca 0.11 -0.09 -0.01 0.00 0.07 0.00 0.00 59.98 60.06 2qtr h ARG 160 Cb 0.75 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 30.62 2qtr h ARG 160 CO 0.06 0.58 0.35 1.49 -1.07 0.00 0.00 179.97 181.38 2qtr h GLU 161 N 0.72 0.91 -0.62 0.04 4.22 -1.25 -2.16 114.58 116.45 2qtr h GLU 161 Ca 0.19 -0.11 -0.07 0.00 0.08 0.00 0.00 59.36 59.45 2qtr h GLU 161 Cb 0.04 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.09 2qtr h GLU 161 CO -0.03 0.69 0.12 0.00 -2.18 0.00 0.00 179.01 177.61 2qtr h ARG 162 N 0.89 1.01 -0.14 1.92 3.08 -0.98 -0.68 114.38 119.48 2qtr h ARG 162 Ca 0.23 -0.26 -0.06 0.00 0.07 0.00 0.00 59.98 59.96 2qtr h ARG 162 Cb 0.05 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 29.97 2qtr h ARG 162 CO -0.04 0.93 -0.19 1.88 -1.07 0.00 0.00 179.97 181.49 2qtr h TYR 163 N 0.92 0.26 -0.28 3.04 -1.99 -0.99 0.38 116.97 118.30 2qtr h TYR 163 Ca 0.19 -0.04 -0.13 0.00 2.00 0.00 0.00 58.73 60.75 2qtr h TYR 163 Cb 0.40 -0.07 -0.00 0.00 2.00 0.00 0.00 36.73 39.06 2qtr h TYR 163 CO 0.03 0.42 -0.34 -0.22 -0.00 0.00 0.00 178.16 178.05 2qtr h LYS 164 N 0.22 0.73 -0.04 4.88 3.64 -1.01 -2.88 116.57 122.11 2qtr h LYS 164 Ca 0.04 -0.41 0.00 0.00 -1.27 0.00 0.00 60.65 59.01 2qtr h LYS 164 Cb 0.47 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.31 2qtr h LYS 164 CO 0.03 1.03 0.00 0.39 -2.27 0.00 0.00 179.45 178.63 2qtr n GLU 165 N -4.22 1.26 -3.48 1.90 1.02 -0.29 -4.91 120.64 111.92 2qtr n GLU 165 Ca -0.04 -0.38 -0.25 0.00 -0.02 0.00 0.00 57.16 56.47 2qtr n GLU 165 Cb 0.51 -1.40 0.05 0.00 -0.02 0.00 0.00 31.44 30.58 2qtr n GLU 165 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2qtr n LYS 166 N -0.46 -6.53 -3.22 3.49 5.02 0.37 -4.99 118.16 111.83 2qtr n LYS 166 Ca 0.18 0.80 -0.23 0.00 -2.02 0.00 0.00 58.31 57.03 2qtr n LYS 166 Cb 0.18 -5.76 -0.00 0.00 -0.02 0.00 0.00 35.03 29.42 2qtr n LYS 166 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2qtr s LYS 167 N -6.19 3.34 0.42 1.97 1.02 0.11 -5.01 119.74 115.40 2qtr s LYS 167 Ca 0.52 -0.39 -0.25 0.00 0.02 0.00 0.00 55.97 55.87 2qtr s LYS 167 Cb -0.24 -2.62 -0.08 0.00 -0.52 0.00 0.00 37.83 34.37 2qtr s LYS 167 CO 0.64 -0.01 1.29 -0.08 -0.92 0.00 0.00 175.35 176.28 2qtr s THR 168 N -2.41 2.62 -0.02 2.17 -1.32 -1.26 -4.58 115.64 110.84 2qtr s THR 168 Ca 0.43 0.55 0.03 0.00 -1.21 0.00 0.00 61.69 61.48 2qtr s THR 168 Cb -0.10 -3.31 0.04 0.00 -1.51 0.00 0.00 72.50 67.62 2qtr s THR 168 CO 0.37 0.07 0.90 0.00 -2.21 0.00 0.00 174.62 173.75 2qtr n LYS 170 N -0.48 2.42 -0.91 0.00 4.81 -1.26 -1.97 118.16 120.76 2qtr n LYS 170 Ca 0.02 0.85 0.00 0.00 -0.87 0.00 0.00 58.31 58.32 2qtr n LYS 170 Cb 0.40 -2.56 0.00 0.00 0.02 0.00 0.00 35.03 32.89 2qtr n LYS 170 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 2qtr n TYR 171 N 1.47 0.00 -0.07 5.64 0.53 -1.26 -4.85 117.16 118.63 2qtr n TYR 171 Ca 0.07 0.00 -0.02 0.00 -1.02 0.00 0.00 57.90 56.93 2qtr n TYR 171 Cb 0.36 -0.73 -0.16 0.00 -1.03 0.00 0.00 39.34 37.78 2qtr n TYR 171 CO 0.00 0.00 0.00 1.28 -1.02 0.00 0.00 176.86 177.12 2qtr n LEU 172 N 0.00 0.00 -3.76 7.72 4.77 -0.83 -4.93 117.00 119.97 2qtr n LEU 172 Ca 0.00 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.88 2qtr n LEU 172 Cb 0.12 0.31 -0.06 0.00 -2.33 0.00 0.00 43.42 41.45 2qtr n LEU 172 CO 0.00 0.31 0.02 -1.48 -1.33 0.00 0.00 177.39 174.91 2qtr s LEU 173 N -5.10 0.94 0.33 2.23 2.34 -1.26 -1.63 118.68 116.54 2qtr s LEU 173 Ca -0.09 -0.51 -0.28 0.00 0.06 0.00 0.00 54.13 53.31 2qtr s LEU 173 Cb 0.09 1.41 -0.12 0.00 -0.56 0.00 0.00 46.19 47.00 2qtr s LEU 173 CO 0.84 -0.79 1.31 -2.65 -1.06 0.00 0.00 176.35 174.00 2qtr n PRO 174 N -0.14 2.12 -0.22 1.48 -0.02 -1.26 -4.82 135.00 132.14 2qtr n PRO 174 Ca -0.15 0.75 0.02 0.00 -2.02 0.00 0.00 63.50 62.10 2qtr n PRO 174 Cb 0.63 -2.34 0.14 0.00 -0.02 0.00 0.00 33.50 31.91 2qtr n PRO 174 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2qtr h GLU 175 N 2.81 0.30 -0.93 -0.52 5.08 -1.99 -0.49 114.58 118.84 2qtr h GLU 175 Ca -0.46 -0.02 0.08 0.00 -1.00 0.00 0.00 59.36 57.96 2qtr h GLU 175 Cb 1.28 -0.07 -0.07 0.00 0.50 0.00 0.00 28.75 30.40 2qtr h GLU 175 CO 0.65 0.20 0.58 0.87 -1.00 0.00 0.00 179.01 180.31 2qtr h LYS 176 N 0.30 1.00 -0.31 2.33 1.57 -1.92 0.67 116.57 120.22 2qtr h LYS 176 Ca 0.35 -0.06 -0.15 0.00 -1.87 0.00 0.00 60.65 58.93 2qtr h LYS 176 Cb 0.54 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.62 2qtr h LYS 176 CO -0.42 0.66 -0.40 0.28 -0.57 0.00 0.00 179.45 179.00 2qtr h VAL 177 N 1.03 1.29 0.35 0.50 2.07 -1.48 -2.20 116.25 117.81 2qtr h VAL 177 Ca 0.42 -1.58 -0.02 0.00 0.82 0.00 0.00 66.70 66.34 2qtr h VAL 177 Cb 0.25 1.48 0.00 0.00 -1.52 0.00 0.00 31.29 31.50 2qtr h VAL 177 CO -0.20 0.51 -0.17 1.56 0.02 0.00 0.00 177.57 179.30 2qtr h GLN 178 N 0.60 -0.45 -0.79 1.57 4.20 0.13 -1.06 115.11 119.32 2qtr h GLN 178 Ca 0.05 0.03 0.16 0.00 0.06 0.00 0.00 58.65 58.95 2qtr h GLN 178 Cb 0.95 0.10 -0.10 0.00 0.30 0.00 0.00 27.48 28.73 2qtr h GLN 178 CO 0.09 -0.27 0.31 0.28 -0.67 0.00 0.00 178.83 178.57 2qtr h VAL 179 N -0.52 0.60 -0.63 -0.54 2.07 -0.89 -0.81 116.25 115.55 2qtr h VAL 179 Ca -0.05 -0.14 -0.06 0.00 0.82 0.00 0.00 66.70 67.26 2qtr h VAL 179 Cb 0.39 0.14 -0.03 0.00 -1.52 0.00 0.00 31.29 30.28 2qtr h VAL 179 CO 0.08 0.08 0.15 0.22 0.02 0.00 0.00 177.57 178.11 2qtr h TYR 180 N 0.42 1.06 -0.42 1.57 3.20 -1.07 -1.44 116.97 120.29 2qtr h TYR 180 Ca 0.45 -0.13 -0.01 0.00 3.14 0.00 0.00 58.73 62.18 2qtr h TYR 180 Cb 0.73 -0.30 -0.02 0.00 1.54 0.00 0.00 36.73 38.68 2qtr h TYR 180 CO -0.17 0.89 0.23 0.82 -1.64 0.00 0.00 178.16 178.29 2qtr h ILE 181 N 0.93 1.15 -0.42 1.81 2.04 0.15 -2.54 117.51 120.64 2qtr h ILE 181 Ca 0.20 -0.40 -0.15 0.00 1.00 0.00 0.00 64.86 65.51 2qtr h ILE 181 Cb 0.36 0.65 -0.01 0.00 -0.74 0.00 0.00 36.82 37.09 2qtr h ILE 181 CO 0.00 0.16 -0.33 -0.33 0.00 0.00 0.00 178.15 177.65 2qtr h GLU 182 N 0.55 0.95 0.00 2.37 5.08 -1.21 -1.78 114.58 120.55 2qtr h GLU 182 Ca 0.15 -0.47 -0.00 0.00 -1.00 0.00 0.00 59.36 58.03 2qtr h GLU 182 Cb 0.05 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.30 2qtr h GLU 182 CO -0.02 1.13 -0.01 -0.09 -1.00 0.00 0.00 179.01 179.01 2qtr h ARG 183 N 0.79 0.00 -0.51 2.33 2.43 -1.10 -2.34 114.38 115.97 2qtr h ARG 183 Ca 0.08 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 2qtr h ARG 183 Cb 0.92 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.47 2qtr h ARG 183 CO 0.09 0.01 0.00 0.09 -1.51 0.00 0.00 179.97 178.65 2qtr n ASN 184 N -4.52 3.60 -2.42 -3.80 4.13 -0.97 -4.97 115.26 106.31 2qtr n ASN 184 Ca -0.03 -2.13 -0.15 0.00 1.68 0.00 0.00 54.58 53.95 2qtr n ASN 184 Cb 0.10 -0.39 -0.01 0.00 -1.54 0.00 0.00 39.78 37.95 2qtr n ASN 184 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2qtr n GLY 185 N 0.91 -0.48 3.77 7.41 0.00 -0.81 -4.94 105.19 111.06 2qtr n GLY 185 Ca 0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.87 2qtr n GLY 185 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qtr s LEU 186 N -5.73 3.55 -1.28 0.99 1.43 -0.73 -3.06 118.68 113.84 2qtr s LEU 186 Ca 0.00 2.07 0.00 0.00 -1.03 0.00 0.00 54.13 55.17 2qtr s LEU 186 Cb 0.00 -4.56 0.00 0.00 0.03 0.00 0.00 46.19 41.66 2qtr s LEU 186 CO 0.00 -1.45 0.00 -1.22 0.23 0.00 0.00 176.35 173.91 2qtr n TYR 187 N -1.92 -0.98 -3.55 0.29 4.01 -1.26 -1.40 117.16 112.35 2qtr n TYR 187 Ca 0.11 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.64 2qtr n TYR 187 Cb 0.52 -2.84 0.08 0.00 -0.31 0.00 0.00 39.34 36.78 2qtr n TYR 187 CO 0.00 0.00 0.00 -0.85 -0.46 0.00 0.00 176.86 175.55 2qtr n GLU 188 N -2.50 -7.23 0.00 -0.72 -0.00 -1.17 -2.50 120.64 106.52 2qtr n GLU 188 Ca -0.15 0.82 0.16 0.00 -0.00 0.00 0.00 57.16 57.98 2qtr n GLU 188 Cb 0.56 -5.84 0.89 0.00 -0.00 0.00 0.00 31.44 27.05 2qtr n GLU 188 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.13 176.00