#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qtr n ARG 2 N 0.00 -1.54 -2.98 3.17 3.00 -1.26 -3.95 116.66 113.10 2qtr n ARG 2 Ca 0.00 1.58 -0.42 0.00 -0.00 0.00 0.00 57.85 59.02 2qtr n ARG 2 Cb 0.00 -4.84 -0.05 0.00 0.00 0.00 0.00 32.46 27.57 2qtr n ARG 2 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 2qtr s LYS 3 N -2.57 4.02 -0.02 -0.14 1.02 -1.26 -1.41 119.74 119.38 2qtr s LYS 3 Ca 0.12 0.61 0.05 0.00 0.02 0.00 0.00 55.97 56.77 2qtr s LYS 3 Cb -0.03 -3.70 -0.01 0.00 -0.52 0.00 0.00 37.83 33.57 2qtr s LYS 3 CO 0.60 -0.59 -0.19 0.42 -0.92 0.00 0.00 175.35 174.67 2qtr s ILE 4 N 2.81 1.51 0.01 2.17 1.01 -0.98 -0.49 121.20 127.25 2qtr s ILE 4 Ca 0.31 -0.80 -0.01 0.00 0.00 0.00 0.00 60.65 60.15 2qtr s ILE 4 Cb -0.15 -1.27 -0.04 0.00 0.01 0.00 0.00 42.46 41.02 2qtr s ILE 4 CO 0.11 0.43 0.16 -0.83 0.00 0.00 0.00 174.94 174.80 2qtr s GLY 5 N -0.29 2.13 -0.07 6.18 0.00 -0.69 -0.75 107.32 113.82 2qtr s GLY 5 Ca 0.04 -0.82 0.01 0.00 0.00 0.00 0.00 44.72 43.94 2qtr s GLY 5 CO 0.00 -0.74 -0.08 -0.42 0.00 0.00 0.00 173.10 171.87 2qtr s ILE 6 N -1.33 0.90 -0.31 0.90 -1.09 0.34 -0.16 121.20 120.44 2qtr s ILE 6 Ca 0.28 -0.30 0.00 0.00 -2.23 0.00 0.00 60.65 58.40 2qtr s ILE 6 Cb -0.13 -0.88 0.07 0.00 -1.58 0.00 0.00 42.46 39.94 2qtr s ILE 6 CO 0.20 0.32 0.01 -0.51 -1.23 0.00 0.00 174.94 173.72 2qtr s ILE 7 N 1.06 2.73 0.33 2.92 2.07 -0.40 -0.54 121.20 129.36 2qtr s ILE 7 Ca -0.08 -1.67 -0.10 0.00 -1.41 0.00 0.00 60.65 57.40 2qtr s ILE 7 Cb -0.14 -2.68 -0.07 0.00 0.13 0.00 0.00 42.46 39.70 2qtr s ILE 7 CO -0.01 -0.23 0.67 -0.83 -1.91 0.00 0.00 174.94 172.63 2qtr s GLY 8 N 1.25 2.06 -0.09 1.50 0.00 -1.26 -1.41 107.32 109.37 2qtr s GLY 8 Ca -0.02 -0.26 -0.32 0.00 0.00 0.00 0.00 44.72 44.12 2qtr s GLY 8 CO -0.03 -0.10 1.40 -0.32 0.00 0.00 0.00 173.10 174.05 2qtr s GLY 9 N -2.84 -0.37 -0.08 0.20 0.00 -0.88 -4.91 107.32 98.43 2qtr s GLY 9 Ca 0.49 0.60 0.04 0.00 0.00 0.00 0.00 44.72 45.85 2qtr s GLY 9 CO 0.26 3.05 0.50 2.41 0.00 0.00 0.00 173.10 179.33 2qtr n THR 10 N -0.71 1.69 -3.29 0.90 -1.04 -1.26 -1.47 114.28 109.10 2qtr n THR 10 Ca -0.03 -0.73 -0.12 0.00 -2.04 0.00 0.00 64.05 61.13 2qtr n THR 10 Cb 0.61 -1.36 0.03 0.00 -1.82 0.00 0.00 70.33 67.79 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 -3.25 -2.56 -3.22 -1.42 3.01 -1.26 -4.75 117.46 104.02 2qtr n PHE 11 Ca -0.25 0.91 -0.24 0.00 1.01 0.00 0.00 57.45 58.88 2qtr n PHE 11 Cb 1.05 -3.88 -0.07 0.00 -0.01 0.00 0.00 39.48 36.57 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 -2.46 0.69 -4.96 4.37 2.03 -1.26 -3.51 116.55 111.44 2qtr n ASP 12 Ca -0.07 -2.81 -0.22 0.00 0.52 0.00 0.00 54.79 52.22 2qtr n ASP 12 Cb 0.57 -0.64 -0.00 0.00 -0.72 0.00 0.00 41.12 40.33 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 -1.40 3.19 0.41 -0.67 0.04 -1.26 -4.75 135.00 130.55 2qtr s PRO 13 Ca 0.36 -0.65 -0.24 0.00 0.04 0.00 0.00 61.00 60.51 2qtr s PRO 13 Cb 0.17 -2.69 -0.08 0.00 0.04 0.00 0.00 34.50 31.94 2qtr s PRO 13 CO -0.10 -0.02 1.12 -1.25 0.04 0.00 0.00 177.00 176.79 2qtr s PRO 14 N -4.34 4.05 0.16 0.56 0.04 -1.23 -4.62 135.00 129.62 2qtr s PRO 14 Ca 0.44 1.69 0.02 0.00 0.04 0.00 0.00 61.00 63.20 2qtr s PRO 14 Cb -0.10 -2.58 -0.01 0.00 0.04 0.00 0.00 34.50 31.86 2qtr s PRO 14 CO 0.35 -0.29 0.16 -2.39 0.04 0.00 0.00 177.00 174.87 2qtr n HIS 15 N -0.08 -0.52 0.31 0.56 1.44 -1.26 -4.75 115.22 110.92 2qtr n HIS 15 Ca 0.05 -1.28 0.20 0.00 -2.01 0.00 0.00 57.72 54.68 2qtr n HIS 15 Cb 0.48 0.17 0.96 0.00 0.12 0.00 0.00 29.99 31.73 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 1.50 0.00 -0.55 -1.40 0.99 -1.56 -2.29 116.97 113.66 2qtr h TYR 16 Ca -0.12 0.00 -0.07 0.00 2.00 0.00 0.00 58.73 60.55 2qtr h TYR 16 Cb 0.57 0.00 -0.02 0.00 1.00 0.00 0.00 36.73 38.28 2qtr h TYR 16 CO 0.00 0.00 0.08 0.78 -0.00 0.00 0.00 178.16 179.02 2qtr h GLY 17 N 1.00 0.98 0.92 3.88 0.00 -1.89 0.15 103.07 108.11 2qtr h GLY 17 Ca -0.00 -0.66 -0.03 0.00 0.00 0.00 0.00 47.33 46.64 2qtr h GLY 17 CO 0.00 0.61 0.11 0.45 0.00 0.00 0.00 176.54 177.71 2qtr h HIS 18 N 0.80 0.59 -0.56 5.60 3.86 -1.81 -3.03 115.15 120.60 2qtr h HIS 18 Ca 0.16 -0.06 -0.11 0.00 -1.16 0.00 0.00 60.37 59.20 2qtr h HIS 18 Cb 0.42 -0.17 -0.02 0.00 1.06 0.00 0.00 27.41 28.70 2qtr h HIS 18 CO 0.03 0.57 -0.09 -0.07 0.86 0.00 0.00 177.93 179.24 2qtr h LEU 19 N 0.43 1.04 0.00 2.43 4.07 -1.43 -2.17 115.31 119.69 2qtr h LEU 19 Ca 0.12 -0.34 0.00 0.00 0.08 0.00 0.00 57.88 57.73 2qtr h LEU 19 Cb 0.26 -0.28 0.00 0.00 1.08 0.00 0.00 40.66 41.72 2qtr h LEU 19 CO -0.00 1.14 0.00 -0.11 -1.08 0.00 0.00 178.44 178.39 2qtr n LEU 20 N -4.16 0.08 -3.24 1.67 -0.00 0.52 -1.20 117.00 110.66 2qtr n LEU 20 Ca 0.02 0.70 -0.02 0.00 -0.00 0.00 0.00 56.01 56.71 2qtr n LEU 20 Cb 0.39 -0.22 -0.04 0.00 -0.00 0.00 0.00 43.42 43.55 2qtr n LEU 20 CO 0.45 -0.22 0.05 -0.51 -0.00 0.00 0.00 177.39 177.16 2qtr s ILE 21 N -1.83 -0.82 0.12 1.96 2.07 -1.26 -0.72 121.20 120.73 2qtr s ILE 21 Ca 0.00 -0.05 -0.17 0.00 -1.41 0.00 0.00 60.65 59.02 2qtr s ILE 21 Cb 0.00 -0.93 -0.03 0.00 0.13 0.00 0.00 42.46 41.63 2qtr s ILE 21 CO 0.00 -0.07 1.64 0.00 -1.91 0.00 0.00 174.94 174.59 2qtr h ALA 22 N 8.08 0.45 -0.14 1.50 0.00 -1.26 -1.40 119.26 126.48 2qtr h ALA 22 Ca -0.19 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.54 2qtr h ALA 22 Cb 1.16 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.81 2qtr h ALA 22 CO 0.26 0.08 -0.02 -0.97 0.00 0.00 0.00 179.25 178.60 2qtr h ASN 23 N 0.40 0.27 -0.56 0.00 -1.24 -0.38 -1.40 115.58 112.67 2qtr h ASN 23 Ca 0.11 -0.35 0.05 0.00 0.71 0.00 0.00 56.30 56.82 2qtr h ASN 23 Cb 0.25 -0.07 -0.05 0.00 0.73 0.00 0.00 38.32 39.18 2qtr h ASN 23 CO -0.00 0.55 0.29 -0.33 -1.29 0.00 0.00 177.43 176.64 2qtr h GLU 24 N -0.02 0.53 -0.14 6.67 4.39 -0.88 -1.37 114.58 123.77 2qtr h GLU 24 Ca 0.04 -0.03 -0.18 0.00 0.34 0.00 0.00 59.36 59.53 2qtr h GLU 24 Cb 0.43 -0.12 -0.00 0.00 -0.10 0.00 0.00 28.75 28.96 2qtr h GLU 24 CO 0.01 0.35 -0.65 0.28 -1.16 0.00 0.00 179.01 177.84 2qtr h VAL 25 N 0.54 1.34 -0.27 3.13 2.07 -1.28 0.21 116.25 122.00 2qtr h VAL 25 Ca 0.25 -1.96 0.05 0.00 0.82 0.00 0.00 66.70 65.86 2qtr h VAL 25 Cb 0.16 1.93 -0.04 0.00 -1.52 0.00 0.00 31.29 31.82 2qtr h VAL 25 CO -0.17 0.60 -0.01 0.22 0.02 0.00 0.00 177.57 178.23 2qtr h TYR 26 N 0.38 -0.04 -0.09 1.57 3.20 -0.71 -1.56 116.97 119.72 2qtr h TYR 26 Ca -0.02 0.02 -0.09 0.00 3.14 0.00 0.00 58.73 61.79 2qtr h TYR 26 Cb 1.22 0.06 0.00 0.00 1.54 0.00 0.00 36.73 39.55 2qtr h TYR 26 CO 0.05 -0.06 -0.29 0.45 -1.64 0.00 0.00 178.16 176.68 2qtr h HIS 27 N 0.07 0.46 -0.87 -3.82 3.86 -1.21 -1.56 115.15 112.07 2qtr h HIS 27 Ca 0.13 -0.19 0.03 0.00 -1.16 0.00 0.00 60.37 59.18 2qtr h HIS 27 Cb 0.17 -0.08 -0.05 0.00 1.06 0.00 0.00 27.41 28.52 2qtr h HIS 27 CO -0.22 0.90 0.57 0.00 0.86 0.00 0.00 177.93 180.05 2qtr h ALA 28 N 0.47 1.43 -0.39 2.45 0.00 -0.84 -2.97 119.26 119.41 2qtr h ALA 28 Ca -0.01 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2qtr h ALA 28 Cb 0.91 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.38 2qtr h ALA 28 CO 0.06 0.49 0.00 1.28 0.00 0.00 0.00 179.25 181.09 2qtr n LEU 29 N -4.43 3.20 -3.68 0.00 4.77 -0.60 -4.99 117.00 111.27 2qtr n LEU 29 Ca 0.11 -1.68 -0.29 0.00 -0.03 0.00 0.00 56.01 54.12 2qtr n LEU 29 Cb 0.08 -0.26 0.04 0.00 -2.33 0.00 0.00 43.42 40.95 2qtr n LEU 29 CO 0.35 0.74 -0.08 0.59 -1.33 0.00 0.00 177.39 177.66 2qtr n ASN 30 N 1.12 -4.72 -4.89 -1.43 3.02 -0.86 -4.95 115.26 102.54 2qtr n ASN 30 Ca 0.16 -0.99 -0.29 0.00 -0.03 0.00 0.00 54.58 53.43 2qtr n ASN 30 Cb 0.51 -3.50 0.00 0.00 -0.61 0.00 0.00 39.78 36.18 2qtr n ASN 30 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2qtr s LEU 31 N -6.46 3.45 0.12 3.41 1.43 -0.65 -4.87 118.68 115.11 2qtr s LEU 31 Ca 0.41 1.19 -0.08 0.00 -1.03 0.00 0.00 54.13 54.62 2qtr s LEU 31 Cb -0.14 -4.19 -0.10 0.00 0.03 0.00 0.00 46.19 41.80 2qtr s LEU 31 CO 0.85 -0.71 1.32 -0.08 0.23 0.00 0.00 176.35 177.97 2qtr h GLU 32 N 0.05 0.60 -1.98 1.70 4.81 -1.13 -3.48 114.58 115.15 2qtr h GLU 32 Ca -0.46 -0.54 0.30 0.00 -0.13 0.00 0.00 59.36 58.54 2qtr h GLU 32 Cb 1.20 0.13 -0.08 0.00 0.63 0.00 0.00 28.75 30.63 2qtr h GLU 32 CO 0.62 1.16 0.81 -1.83 -0.73 0.00 0.00 179.01 179.04 2qtr s GLU 33 N -3.54 0.58 -0.07 1.92 -1.05 -1.26 -5.01 118.70 110.27 2qtr s GLU 33 Ca -0.08 -0.36 0.02 0.00 -0.15 0.00 0.00 54.97 54.41 2qtr s GLU 33 Cb 0.09 0.17 0.01 0.00 -0.44 0.00 0.00 34.13 33.96 2qtr s GLU 33 CO 0.88 -0.27 -0.14 0.08 0.95 0.00 0.00 175.26 176.77 2qtr s VAL 34 N -2.23 1.26 -0.20 1.83 1.01 -0.50 -1.70 120.40 119.87 2qtr s VAL 34 Ca 0.22 -0.54 -0.08 0.00 0.00 0.00 0.00 61.98 61.58 2qtr s VAL 34 Cb 0.01 -1.14 -0.04 0.00 0.00 0.00 0.00 36.38 35.20 2qtr s VAL 34 CO -0.01 0.38 0.08 0.26 0.00 0.00 0.00 175.10 175.82 2qtr s TRP 35 N 0.67 3.26 -0.18 5.22 0.51 0.77 -1.92 118.94 127.28 2qtr s TRP 35 Ca -0.14 0.08 -0.19 0.00 -2.12 0.00 0.00 56.10 53.73 2qtr s TRP 35 Cb -0.16 -2.12 -0.03 0.00 -0.81 0.00 0.00 33.47 30.35 2qtr s TRP 35 CO 0.04 0.12 0.53 -0.06 -0.51 0.00 0.00 176.95 177.07 2qtr s PHE 36 N 0.55 3.40 -0.55 -1.98 0.40 0.64 -1.28 117.98 119.15 2qtr s PHE 36 Ca 0.04 0.83 -0.02 0.00 -0.60 0.00 0.00 56.93 57.19 2qtr s PHE 36 Cb -0.13 -2.68 0.14 0.00 0.51 0.00 0.00 43.02 40.87 2qtr s PHE 36 CO 0.01 -0.06 0.35 -1.17 0.70 0.00 0.00 175.22 175.04 2qtr s LEU 37 N 1.48 5.08 0.19 -0.37 2.96 -0.50 -0.82 118.68 126.70 2qtr s LEU 37 Ca 0.26 -2.69 -0.30 0.00 -0.22 0.00 0.00 54.13 51.18 2qtr s LEU 37 Cb -0.15 -1.81 -0.08 0.00 0.50 0.00 0.00 46.19 44.65 2qtr s LEU 37 CO 0.10 -0.38 1.13 -2.16 -1.32 0.00 0.00 176.35 173.72 2qtr s PRO 38 N 0.18 4.56 0.57 0.98 0.04 -1.26 -2.08 135.00 138.00 2qtr s PRO 38 Ca 0.15 1.78 -0.07 0.00 0.04 0.00 0.00 61.00 62.89 2qtr s PRO 38 Cb -0.22 -3.26 -0.01 0.00 0.04 0.00 0.00 34.50 31.05 2qtr s PRO 38 CO -0.03 0.03 0.91 0.54 0.04 0.00 0.00 177.00 178.49 2qtr s ASN 39 N -0.10 5.90 -0.20 6.66 6.03 -0.54 -4.37 114.94 128.32 2qtr s ASN 39 Ca 0.50 0.94 -0.18 0.00 -1.03 0.00 0.00 52.86 53.09 2qtr s ASN 39 Cb -0.31 -2.03 -0.15 0.00 -3.03 0.00 0.00 41.25 35.74 2qtr s ASN 39 CO 0.36 -0.91 0.08 1.67 -2.03 0.00 0.00 177.10 176.28 2qtr n GLN 40 N -2.55 0.54 -3.98 3.55 7.27 -1.26 -4.80 117.38 116.14 2qtr n GLN 40 Ca 0.04 0.55 -0.30 0.00 0.07 0.00 0.00 57.00 57.35 2qtr n GLN 40 Cb 0.56 -1.72 -0.16 0.00 2.41 0.00 0.00 30.24 31.33 2qtr n GLN 40 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 2qtr s ILE 41 N -2.35 1.57 0.06 1.69 1.01 -1.26 -4.93 121.20 116.99 2qtr s ILE 41 Ca -0.26 -0.95 -0.35 0.00 0.00 0.00 0.00 60.65 59.09 2qtr s ILE 41 Cb 0.05 -1.66 -0.14 0.00 0.01 0.00 0.00 42.46 40.73 2qtr s ILE 41 CO 0.49 0.17 1.64 -2.65 0.00 0.00 0.00 174.94 174.59 2qtr n PRO 42 N 4.71 1.97 0.29 2.79 -0.02 -1.26 -0.99 135.00 142.49 2qtr n PRO 42 Ca -0.14 0.72 0.16 0.00 -2.02 0.00 0.00 63.50 62.21 2qtr n PRO 42 Cb 0.47 -2.48 0.86 0.00 -0.02 0.00 0.00 33.50 32.32 2qtr n PRO 42 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 2qtr h PRO 43 N 6.71 0.00 -0.29 0.52 0.13 -1.92 -2.61 132.00 134.54 2qtr h PRO 43 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2qtr h PRO 43 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 2qtr h PRO 43 CO 0.89 0.06 0.00 -2.39 -0.23 0.00 0.00 178.00 176.33 2qtr n HIS 44 N -3.45 0.38 -2.80 1.56 1.44 -1.26 -4.43 115.22 106.66 2qtr n HIS 44 Ca -0.02 -0.33 -0.02 0.00 -2.01 0.00 0.00 57.72 55.34 2qtr n HIS 44 Cb 0.19 -0.01 0.05 0.00 0.12 0.00 0.00 29.99 30.33 2qtr n HIS 44 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 2qtr n LYS 45 N 0.76 1.58 0.26 -1.40 5.02 -1.00 -4.92 118.16 118.46 2qtr n LYS 45 Ca 0.12 -3.44 0.15 0.00 -2.02 0.00 0.00 58.31 53.11 2qtr n LYS 45 Cb 0.43 -1.52 0.84 0.00 -0.02 0.00 0.00 35.03 34.76 2qtr n LYS 45 CO 0.00 0.00 0.00 1.96 -0.52 0.00 0.00 177.40 178.84 2qtr h GLN 46 N 2.71 0.00 -0.02 1.97 4.20 -1.73 -2.01 115.11 120.23 2qtr h GLN 46 Ca -0.13 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.58 2qtr h GLN 46 Cb 1.25 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.03 2qtr h GLN 46 CO 0.26 0.00 -0.07 0.41 -0.67 0.00 0.00 178.83 178.76 2qtr n GLY 47 N -1.39 0.33 3.75 3.46 0.00 -1.26 -4.94 105.19 105.15 2qtr n GLY 47 Ca -0.01 -0.55 -0.40 0.00 0.00 0.00 0.00 46.02 45.05 2qtr n GLY 47 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2qtr s ARG 48 N -2.09 4.69 -0.38 1.61 6.06 -0.76 -5.01 118.95 123.07 2qtr s ARG 48 Ca 0.31 1.33 -0.26 0.00 -2.50 0.00 0.00 55.73 54.61 2qtr s ARG 48 Cb 0.20 -3.31 0.02 0.00 0.06 0.00 0.00 34.95 31.92 2qtr s ARG 48 CO 0.36 0.42 0.92 -0.80 -2.50 0.00 0.00 175.30 173.70 2qtr s ASN 49 N -0.71 6.64 0.32 -2.12 0.01 -1.26 -5.02 114.94 112.79 2qtr s ASN 49 Ca 0.41 0.49 0.07 0.00 -0.71 0.00 0.00 52.86 53.12 2qtr s ASN 49 Cb -0.24 -2.46 -0.06 0.00 0.41 0.00 0.00 41.25 38.90 2qtr s ASN 49 CO 0.29 -0.88 -0.05 0.27 -1.51 0.00 0.00 177.10 175.21 2qtr s ILE 50 N 3.50 1.81 0.45 0.60 -4.36 -1.26 -5.11 121.20 116.82 2qtr s ILE 50 Ca 0.37 -2.12 -0.25 0.00 -0.26 0.00 0.00 60.65 58.39 2qtr s ILE 50 Cb -0.12 -2.59 -0.09 0.00 1.25 0.00 0.00 42.46 40.91 2qtr s ILE 50 CO 0.20 -0.21 1.26 0.41 0.24 0.00 0.00 174.94 176.83 2qtr n THR 51 N -0.69 2.78 -1.45 8.37 -1.04 -1.26 -4.92 114.28 116.07 2qtr n THR 51 Ca -0.05 -0.50 -0.36 0.00 -2.04 0.00 0.00 64.05 61.10 2qtr n THR 51 Cb 0.64 -1.55 0.07 0.00 -1.82 0.00 0.00 70.33 67.67 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 -0.00 0.46 -0.28 8.00 3.41 -1.26 -4.72 113.62 119.22 2qtr n SER 52 Ca 0.07 0.71 0.03 0.00 -0.26 0.00 0.00 58.87 59.42 2qtr n SER 52 Cb 0.41 -1.39 0.16 0.00 -0.26 0.00 0.00 64.21 63.13 2qtr n SER 52 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 2qtr h VAL 53 N -0.02 0.88 -0.45 -3.33 2.07 -1.91 -0.25 116.25 113.25 2qtr h VAL 53 Ca -0.48 -0.25 0.01 0.00 0.82 0.00 0.00 66.70 66.80 2qtr h VAL 53 Cb 1.35 0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 31.17 2qtr h VAL 53 CO 0.48 0.13 0.29 -0.33 0.02 0.00 0.00 177.57 178.16 2qtr h GLU 54 N 0.73 0.57 -0.14 1.57 3.07 -1.99 0.56 114.58 118.96 2qtr h GLU 54 Ca 0.39 -0.03 -0.06 0.00 -0.50 0.00 0.00 59.36 59.16 2qtr h GLU 54 Cb 0.39 -0.13 -0.00 0.00 -0.84 0.00 0.00 28.75 28.17 2qtr h GLU 54 CO -0.26 0.38 -0.15 0.77 -1.40 0.00 0.00 179.01 178.35 2qtr h SER 55 N 0.59 0.37 -0.66 1.42 0.02 -1.77 -2.06 113.55 111.46 2qtr h SER 55 Ca 0.17 -0.49 0.04 0.00 -0.84 0.00 0.00 61.79 60.67 2qtr h SER 55 Cb -0.05 -0.10 -0.05 0.00 0.14 0.00 0.00 62.40 62.34 2qtr h SER 55 CO -0.05 0.78 0.39 0.03 -1.14 0.00 0.00 176.83 176.85 2qtr h ARG 56 N -0.03 0.73 -0.68 3.45 3.08 -0.88 0.50 114.38 120.54 2qtr h ARG 56 Ca 0.02 -0.04 -0.08 0.00 0.07 0.00 0.00 59.98 59.95 2qtr h ARG 56 Cb 0.68 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 30.54 2qtr h ARG 56 CO 0.04 0.48 0.12 1.25 -1.07 0.00 0.00 179.97 180.79 2qtr h LEU 57 N 0.75 1.08 -0.45 3.04 5.85 -0.91 -0.77 115.31 123.90 2qtr h LEU 57 Ca 0.28 -0.25 -0.02 0.00 0.84 0.00 0.00 57.88 58.72 2qtr h LEU 57 Cb 0.09 -0.29 -0.02 0.00 0.37 0.00 0.00 40.66 40.82 2qtr h LEU 57 CO -0.14 1.06 0.20 -0.61 -0.34 0.00 0.00 178.44 178.61 2qtr h GLN 58 N 1.05 0.66 -0.85 1.25 5.75 -0.53 0.37 115.11 122.81 2qtr h GLN 58 Ca 0.21 -0.11 -0.02 0.00 -0.15 0.00 0.00 58.65 58.58 2qtr h GLN 58 Cb 0.43 -0.11 -0.04 0.00 1.07 0.00 0.00 27.48 28.83 2qtr h GLN 58 CO 0.01 0.58 0.44 0.52 -2.65 0.00 0.00 178.83 177.73 2qtr h MET 59 N 0.59 1.20 -0.45 1.69 2.86 -0.69 -1.36 114.93 118.77 2qtr h MET 59 Ca 0.15 -0.16 -0.06 0.00 -2.06 0.00 0.00 59.70 57.58 2qtr h MET 59 Cb 0.15 -0.23 -0.02 0.00 0.06 0.00 0.00 31.60 31.57 2qtr h MET 59 CO -0.02 0.91 0.06 1.25 1.06 0.00 0.00 176.91 180.17 2qtr h LEU 60 N 1.20 0.72 -0.69 1.22 5.85 -0.73 -0.92 115.31 121.96 2qtr h LEU 60 Ca 0.29 -0.27 0.02 0.00 0.84 0.00 0.00 57.88 58.77 2qtr h LEU 60 Cb 0.08 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 40.87 2qtr h LEU 60 CO -0.04 0.81 0.44 -0.33 -0.34 0.00 0.00 178.44 178.98 2qtr h GLU 61 N 0.61 0.85 -0.15 1.25 5.08 -0.60 -1.15 114.58 120.48 2qtr h GLU 61 Ca 0.14 -0.05 -0.07 0.00 -1.00 0.00 0.00 59.36 58.37 2qtr h GLU 61 Cb 0.40 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 2qtr h GLU 61 CO 0.01 0.56 -0.23 -0.07 -1.00 0.00 0.00 179.01 178.28 2qtr h LEU 62 N 0.88 0.26 -0.43 1.33 3.38 -1.02 0.02 115.31 119.73 2qtr h LEU 62 Ca 0.27 -0.07 -0.17 0.00 0.09 0.00 0.00 57.88 57.99 2qtr h LEU 62 Cb -0.03 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 2qtr h LEU 62 CO -0.09 0.50 -0.78 0.00 0.09 0.00 0.00 178.44 178.16 2qtr h ALA 63 N 1.52 0.67 -0.41 1.53 0.00 -0.46 -3.30 119.26 118.80 2qtr h ALA 63 Ca 0.04 -0.68 0.00 0.00 0.00 0.00 0.00 54.91 54.27 2qtr h ALA 63 Cb 0.55 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.24 2qtr h ALA 63 CO 0.04 0.90 0.00 0.25 0.00 0.00 0.00 179.25 180.44 2qtr n THR 64 N -3.68 0.89 0.01 0.00 -2.24 -0.50 -4.81 114.28 103.95 2qtr n THR 64 Ca -0.02 -0.95 -0.07 0.00 -2.27 0.00 0.00 64.05 60.75 2qtr n THR 64 Cb 0.75 0.58 -0.04 0.00 -2.10 0.00 0.00 70.33 69.52 2qtr n THR 64 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2qtr h GLU 65 N 2.68 -0.25 -0.80 -0.78 5.08 -1.08 -3.03 114.58 116.41 2qtr h GLU 65 Ca 0.00 0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.36 2qtr h GLU 65 Cb 0.78 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.08 2qtr h GLU 65 CO 0.00 -0.17 0.02 0.00 -1.00 0.00 0.00 179.01 177.86 2qtr n ALA 66 N -2.73 3.27 -3.49 3.43 0.00 -1.26 -4.73 120.51 115.00 2qtr n ALA 66 Ca -0.03 -1.01 -0.42 0.00 0.00 0.00 0.00 53.44 51.98 2qtr n ALA 66 Cb 0.16 -1.08 -0.08 0.00 0.00 0.00 0.00 19.45 18.46 2qtr n ALA 66 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2qtr s GLU 67 N -1.89 2.61 0.61 0.00 0.41 -1.15 -4.96 118.70 114.34 2qtr s GLU 67 Ca 0.28 -1.77 0.40 0.00 -0.41 0.00 0.00 54.97 53.47 2qtr s GLU 67 Cb 0.22 -4.02 2.04 0.00 -1.78 0.00 0.00 34.13 30.59 2qtr s GLU 67 CO 0.08 -1.23 2.22 0.93 -0.49 0.00 0.00 175.26 176.77 2qtr h GLU 68 N 8.54 0.00 -0.02 1.61 4.39 -1.86 -2.20 114.58 125.05 2qtr h GLU 68 Ca -0.23 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.47 2qtr h GLU 68 Cb 1.08 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.73 2qtr h GLU 68 CO 0.90 0.00 -0.11 0.72 -1.16 0.00 0.00 179.01 179.36 2qtr n HIS 69 N -3.03 0.00 -4.78 4.33 8.25 -1.26 -4.88 115.22 113.85 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 0.14 -0.03 -0.12 0.00 1.12 0.00 0.00 29.99 31.10 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 -2.18 2.80 0.25 4.41 2.99 -0.83 -1.40 117.98 124.03 2qtr s PHE 70 Ca 0.31 -0.08 -0.06 0.00 0.00 0.00 0.00 56.93 57.11 2qtr s PHE 70 Cb 0.20 -1.66 -0.02 0.00 0.00 0.00 0.00 43.02 41.54 2qtr s PHE 70 CO 0.40 0.25 0.34 -1.54 -0.00 0.00 0.00 175.22 174.67 2qtr s SER 71 N -0.76 0.28 -0.10 1.36 1.04 -0.81 -4.87 113.70 109.84 2qtr s SER 71 Ca 0.12 -1.24 0.01 0.00 0.48 0.00 0.00 55.95 55.32 2qtr s SER 71 Cb -0.11 0.53 -0.02 0.00 0.10 0.00 0.00 66.02 66.52 2qtr s SER 71 CO 0.01 -1.06 -0.14 -0.63 0.98 0.00 0.00 173.24 172.40 2qtr s ILE 72 N -3.85 3.05 -0.28 -1.02 1.01 -1.26 -0.26 121.20 118.59 2qtr s ILE 72 Ca 0.31 -0.69 -0.09 0.00 0.00 0.00 0.00 60.65 60.18 2qtr s ILE 72 Cb 0.02 -2.25 -0.03 0.00 0.01 0.00 0.00 42.46 40.21 2qtr s ILE 72 CO 0.13 0.55 0.14 0.00 0.00 0.00 0.00 174.94 175.76 2qtr n LEU 74 N 5.00 4.28 -0.18 0.00 4.77 -1.26 -4.10 117.00 125.51 2qtr n LEU 74 Ca -0.15 -2.17 -0.01 0.00 -0.03 0.00 0.00 56.01 53.65 2qtr n LEU 74 Cb 0.51 -0.59 0.09 0.00 -2.33 0.00 0.00 43.42 41.10 2qtr n LEU 74 CO 0.33 0.58 0.95 -0.08 -1.33 0.00 0.00 177.39 177.83 2qtr h GLU 75 N 3.08 0.31 0.00 3.23 4.57 -1.93 -2.37 114.58 121.47 2qtr h GLU 75 Ca 0.00 -0.02 -0.12 0.00 -1.18 0.00 0.00 59.36 58.05 2qtr h GLU 75 Cb 1.45 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 29.95 2qtr h GLU 75 CO 0.30 0.21 -0.55 0.93 -1.18 0.00 0.00 179.01 178.72 2qtr h GLU 76 N 0.32 0.00 0.00 1.92 5.08 -1.82 -2.91 114.58 117.18 2qtr h GLU 76 Ca 0.28 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.64 2qtr h GLU 76 Cb 0.36 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.61 2qtr h GLU 76 CO -0.32 0.55 0.00 1.28 -1.00 0.00 0.00 179.01 179.52 2qtr n LEU 77 N -3.54 0.00 -1.15 1.33 4.77 -0.92 -2.94 117.00 114.55 2qtr n LEU 77 Ca -0.00 0.38 0.11 0.00 -0.03 0.00 0.00 56.01 56.47 2qtr n LEU 77 Cb 0.63 -0.38 0.26 0.00 -2.33 0.00 0.00 43.42 41.61 2qtr n LEU 77 CO 0.40 -0.07 0.73 -1.20 -1.33 0.00 0.00 177.39 175.92 2qtr n SER 78 N -1.38 3.40 -3.91 -1.43 7.64 -1.03 -4.93 113.62 111.98 2qtr n SER 78 Ca 0.09 -1.98 -0.10 0.00 1.01 0.00 0.00 58.87 57.89 2qtr n SER 78 Cb 0.23 -0.32 -0.10 0.00 -1.01 0.00 0.00 64.21 63.00 2qtr n SER 78 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2qtr s ARG 79 N -1.35 0.44 0.66 1.43 1.70 -1.15 -5.10 118.95 115.58 2qtr s ARG 79 Ca 0.41 -0.50 -0.11 0.00 -0.47 0.00 0.00 55.73 55.06 2qtr s ARG 79 Cb 0.23 0.17 -0.02 0.00 -0.57 0.00 0.00 34.95 34.77 2qtr s ARG 79 CO 0.31 -0.10 1.05 0.15 -1.08 0.00 0.00 175.30 175.63 2qtr s LYS 80 N -1.51 3.26 0.30 3.89 1.02 -1.26 -4.96 119.74 120.48 2qtr s LYS 80 Ca -0.14 0.78 0.00 0.00 0.02 0.00 0.00 55.97 56.63 2qtr s LYS 80 Cb -0.08 -2.04 0.00 0.00 -0.52 0.00 0.00 37.83 35.19 2qtr s LYS 80 CO 0.00 -0.83 0.00 0.41 -0.92 0.00 0.00 175.35 174.02 2qtr n GLY 81 N -2.51 -2.48 3.76 -3.33 0.00 -1.26 -4.91 105.19 94.47 2qtr n GLY 81 Ca 0.07 -1.64 -0.41 0.00 0.00 0.00 0.00 46.02 44.03 2qtr n GLY 81 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2qtr s PRO 82 N -0.60 4.11 -1.25 1.61 0.04 -1.26 -4.21 135.00 133.43 2qtr s PRO 82 Ca 0.00 2.60 -0.13 0.00 0.04 0.00 0.00 61.00 63.51 2qtr s PRO 82 Cb 0.00 -3.00 0.16 0.00 0.04 0.00 0.00 34.50 31.69 2qtr s PRO 82 CO 0.00 -0.63 1.64 0.43 0.04 0.00 0.00 177.00 178.49 2qtr n SER 83 N 1.74 5.10 -4.74 6.66 7.64 -0.16 -4.93 113.62 124.94 2qtr n SER 83 Ca 0.06 -3.01 -0.41 0.00 1.01 0.00 0.00 58.87 56.52 2qtr n SER 83 Cb 0.38 -1.56 -0.03 0.00 -1.01 0.00 0.00 64.21 61.99 2qtr n SER 83 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 2qtr s TYR 84 N 1.41 3.42 0.30 1.43 1.51 -1.26 -4.27 117.35 119.90 2qtr s TYR 84 Ca 0.43 1.46 0.01 0.00 -1.01 0.00 0.00 57.07 57.96 2qtr s TYR 84 Cb 0.03 -3.43 0.48 0.00 -0.11 0.00 0.00 41.96 38.93 2qtr s TYR 84 CO 0.01 -1.17 1.84 1.15 -1.11 0.00 0.00 175.55 176.27 2qtr h THR 85 N 3.60 1.21 -0.31 -0.71 2.02 -1.94 -2.91 112.91 113.88 2qtr h THR 85 Ca -0.45 -0.82 0.04 0.00 0.77 0.00 0.00 66.41 65.95 2qtr h THR 85 Cb 1.21 0.82 -0.04 0.00 -1.74 0.00 0.00 68.15 68.40 2qtr h THR 85 CO 0.73 0.29 0.08 0.22 0.37 0.00 0.00 175.52 177.22 2qtr h TYR 86 N 0.66 0.15 -0.83 3.16 3.20 -1.92 0.18 116.97 121.56 2qtr h TYR 86 Ca 0.14 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.00 2qtr h TYR 86 Cb 0.33 -0.02 -0.04 0.00 1.54 0.00 0.00 36.73 38.54 2qtr h TYR 86 CO 0.02 0.05 0.40 -0.44 -1.64 0.00 0.00 178.16 176.55 2qtr h ASP 87 N 0.21 1.09 -0.10 -2.11 3.45 -1.90 -0.24 116.42 116.80 2qtr h ASP 87 Ca 0.14 -0.13 -0.01 0.00 0.43 0.00 0.00 57.03 57.46 2qtr h ASP 87 Cb 0.13 -0.28 -0.00 0.00 -0.56 0.00 0.00 39.33 38.62 2qtr h ASP 87 CO -0.16 0.92 0.04 0.74 -1.57 0.00 0.00 179.24 179.20 2qtr h THR 88 N 1.18 1.15 0.00 0.35 2.02 -1.25 -2.85 112.91 113.51 2qtr h THR 88 Ca 0.29 -0.44 -0.08 0.00 0.77 0.00 0.00 66.41 66.95 2qtr h THR 88 Cb 0.12 1.25 -0.01 0.00 -1.74 0.00 0.00 68.15 67.77 2qtr h THR 88 CO -0.04 0.13 -0.36 0.24 0.37 0.00 0.00 175.52 175.86 2qtr h MET 89 N 0.01 0.00 -0.48 6.66 2.86 -0.73 -0.90 114.93 122.35 2qtr h MET 89 Ca 0.03 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.61 2qtr h MET 89 Cb 0.17 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.81 2qtr h MET 89 CO -0.00 0.36 0.06 1.25 1.06 0.00 0.00 176.91 179.64 2qtr h LEU 90 N 0.00 0.78 -0.34 1.22 5.85 -0.94 -0.54 115.31 121.34 2qtr h LEU 90 Ca -0.00 -0.27 -0.14 0.00 0.84 0.00 0.00 57.88 58.31 2qtr h LEU 90 Cb 0.78 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.59 2qtr h LEU 90 CO 0.05 0.85 -0.33 -0.61 -0.34 0.00 0.00 178.44 178.06 2qtr h GLN 91 N 0.67 0.82 -0.32 1.25 5.75 -1.26 -2.66 115.11 119.37 2qtr h GLN 91 Ca 0.14 -0.43 -0.08 0.00 -0.15 0.00 0.00 58.65 58.13 2qtr h GLN 91 Cb 0.42 0.01 -0.02 0.00 1.07 0.00 0.00 27.48 28.97 2qtr h GLN 91 CO 0.01 1.07 -0.15 -0.07 -2.65 0.00 0.00 178.83 177.04 2qtr h LEU 92 N 0.61 0.55 -0.93 -2.39 3.38 -1.05 -0.81 115.31 114.66 2qtr h LEU 92 Ca 0.05 -0.16 -0.10 0.00 0.09 0.00 0.00 57.88 57.76 2qtr h LEU 92 Cb 0.91 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.50 2qtr h LEU 92 CO 0.08 0.72 -0.33 0.74 0.09 0.00 0.00 178.44 179.74 2qtr h THR 93 N 0.51 1.28 0.02 0.22 2.02 -1.06 -0.03 112.91 115.87 2qtr h THR 93 Ca 0.09 -1.39 -0.23 0.00 0.77 0.00 0.00 66.41 65.65 2qtr h THR 93 Cb 0.56 1.51 0.00 0.00 -1.74 0.00 0.00 68.15 68.48 2qtr h THR 93 CO 0.04 0.43 -0.96 0.11 0.37 0.00 0.00 175.52 175.50 2qtr h LYS 94 N 0.33 0.36 0.00 6.66 1.57 -1.08 -3.00 116.57 121.40 2qtr h LYS 94 Ca 0.04 -0.40 -0.08 0.00 -1.87 0.00 0.00 60.65 58.33 2qtr h LYS 94 Cb 0.75 0.12 -0.01 0.00 0.08 0.00 0.00 32.23 33.16 2qtr h LYS 94 CO 0.06 1.09 -0.39 0.87 -0.57 0.00 0.00 179.45 180.51 2qtr h LYS 95 N 0.19 0.00 -2.07 3.15 1.57 -0.94 -3.37 116.57 115.10 2qtr h LYS 95 Ca -0.08 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 58.13 2qtr h LYS 95 Cb 1.61 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 33.52 2qtr h LYS 95 CO 0.16 0.39 -0.93 0.66 -0.57 0.00 0.00 179.45 179.16 2qtr n TYR 96 N -3.30 1.02 0.29 -1.35 4.02 -0.04 -4.99 117.16 112.81 2qtr n TYR 96 Ca 0.01 -3.77 0.19 0.00 -0.01 0.00 0.00 57.90 54.32 2qtr n TYR 96 Cb 0.62 -0.42 0.97 0.00 -0.02 0.00 0.00 39.34 40.49 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 4.04 0.00 -0.49 -0.72 0.13 -1.70 -2.25 132.00 131.01 2qtr h PRO 97 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 2qtr h PRO 97 Cb 0.80 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.93 2qtr h PRO 97 CO 0.59 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 177.96 2qtr n ASP 98 N -3.31 4.50 -4.58 1.44 5.75 -1.26 -4.93 116.55 114.16 2qtr n ASP 98 Ca -0.01 -2.65 -0.34 0.00 -0.01 0.00 0.00 54.79 51.78 2qtr n ASP 98 Cb 0.24 -0.55 -0.11 0.00 -1.03 0.00 0.00 41.12 39.68 2qtr n ASP 98 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 2qtr s VAL 99 N -2.20 4.35 -0.44 2.12 1.01 -0.85 -4.23 120.40 120.16 2qtr s VAL 99 Ca 0.46 -0.20 -0.15 0.00 0.00 0.00 0.00 61.98 62.10 2qtr s VAL 99 Cb 0.32 -2.92 0.05 0.00 0.00 0.00 0.00 36.38 33.83 2qtr s VAL 99 CO 0.17 0.49 0.35 -1.58 0.00 0.00 0.00 175.10 174.53 2qtr s GLN 100 N 0.25 2.94 0.16 2.72 0.74 -0.50 -5.00 119.66 120.97 2qtr s GLN 100 Ca 0.01 -1.24 -0.26 0.00 0.05 0.00 0.00 55.36 53.91 2qtr s GLN 100 Cb -0.13 -4.04 -0.08 0.00 1.10 0.00 0.00 33.01 29.86 2qtr s GLN 100 CO 0.02 -0.92 0.82 -0.06 -0.55 0.00 0.00 175.29 174.60 2qtr s PHE 101 N 1.63 3.89 -0.28 1.67 0.40 -1.26 -2.31 117.98 121.73 2qtr s PHE 101 Ca 0.04 1.68 0.03 0.00 -0.60 0.00 0.00 56.93 58.08 2qtr s PHE 101 Cb -0.22 -2.84 0.07 0.00 0.51 0.00 0.00 43.02 40.54 2qtr s PHE 101 CO 0.07 0.45 -0.07 -1.01 0.70 0.00 0.00 175.22 175.36 2qtr s HIS 102 N -0.92 3.36 -0.42 0.36 3.76 0.07 -1.65 115.29 119.85 2qtr s HIS 102 Ca 0.38 -2.47 -0.23 0.00 -0.15 0.00 0.00 55.06 52.59 2qtr s HIS 102 Cb -0.23 -2.14 0.02 0.00 1.11 0.00 0.00 32.58 31.34 2qtr s HIS 102 CO 0.27 -0.89 0.78 0.12 -0.85 0.00 0.00 174.74 174.17 2qtr s PHE 103 N 1.06 3.03 -0.21 1.40 5.36 -0.30 -0.51 117.98 127.81 2qtr s PHE 103 Ca -0.05 0.29 -0.25 0.00 -0.96 0.00 0.00 56.93 55.97 2qtr s PHE 103 Cb -0.20 -3.58 -0.01 0.00 -0.34 0.00 0.00 43.02 38.89 2qtr s PHE 103 CO -0.06 -0.90 0.82 0.42 -1.46 0.00 0.00 175.22 174.04 2qtr s ILE 104 N 3.23 4.86 0.05 3.12 1.01 0.30 -0.69 121.20 133.08 2qtr s ILE 104 Ca 0.30 1.57 0.04 0.00 0.00 0.00 0.00 60.65 62.57 2qtr s ILE 104 Cb -0.12 -4.12 -0.02 0.00 0.01 0.00 0.00 42.46 38.21 2qtr s ILE 104 CO 0.21 -0.03 -0.11 0.27 0.00 0.00 0.00 174.94 175.28 2qtr s ILE 105 N 2.55 0.86 0.73 2.92 -4.36 -0.40 -4.35 121.20 119.15 2qtr s ILE 105 Ca 0.36 -1.04 -0.08 0.00 -0.26 0.00 0.00 60.65 59.63 2qtr s ILE 105 Cb -0.16 -0.84 0.06 0.00 1.25 0.00 0.00 42.46 42.78 2qtr s ILE 105 CO 0.09 -0.17 1.06 -0.83 0.24 0.00 0.00 174.94 175.33 2qtr s GLY 106 N -1.35 1.66 0.29 6.27 0.00 -1.26 -1.49 107.32 111.43 2qtr s GLY 106 Ca -0.03 -0.83 0.04 0.00 0.00 0.00 0.00 44.72 43.90 2qtr s GLY 106 CO 0.01 -0.41 1.70 -1.33 0.00 0.00 0.00 173.10 173.08 2qtr h GLY 107 N -0.72 1.55 1.02 0.20 0.00 -1.32 -0.52 103.07 103.27 2qtr h GLY 107 Ca -0.45 -0.18 -0.01 0.00 0.00 0.00 0.00 47.33 46.69 2qtr h GLY 107 CO 0.62 -0.25 0.51 1.29 0.00 0.00 0.00 176.54 178.72 2qtr h ASP 108 N 0.43 1.05 0.66 0.19 2.03 -1.89 -2.38 116.42 116.52 2qtr h ASP 108 Ca 0.56 -0.07 -0.14 0.00 -0.73 0.00 0.00 57.03 56.64 2qtr h ASP 108 Cb 1.04 -0.27 -0.02 0.00 -0.83 0.00 0.00 39.33 39.25 2qtr h ASP 108 CO -0.51 0.82 -0.67 0.24 -1.03 0.00 0.00 179.24 178.09 2qtr h MET 109 N 1.20 0.01 -0.81 4.15 2.86 -1.51 -2.76 114.93 118.06 2qtr h MET 109 Ca 0.31 -0.01 0.04 0.00 -2.06 0.00 0.00 59.70 57.98 2qtr h MET 109 Cb -0.03 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 31.58 2qtr h MET 109 CO -0.06 0.67 0.51 0.28 1.06 0.00 0.00 176.91 179.38 2qtr h VAL 110 N 0.01 1.10 0.00 -2.22 2.07 -0.72 -1.13 116.25 115.36 2qtr h VAL 110 Ca -0.01 -0.34 -0.02 0.00 0.82 0.00 0.00 66.70 67.15 2qtr h VAL 110 Cb 1.18 0.04 -0.00 0.00 -1.52 0.00 0.00 31.29 30.98 2qtr h VAL 110 CO 0.09 0.18 -0.12 -0.33 0.02 0.00 0.00 177.57 177.41 2qtr h GLU 111 N 0.98 0.00 0.00 1.57 5.08 -1.32 -3.10 114.58 117.79 2qtr h GLU 111 Ca 0.33 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.69 2qtr h GLU 111 Cb 0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.30 2qtr h GLU 111 CO -0.13 0.12 -0.27 0.98 -1.00 0.00 0.00 179.01 178.70 2qtr n TYR 112 N -3.19 0.74 -0.36 4.33 9.36 -0.50 -4.43 117.16 123.10 2qtr n TYR 112 Ca 0.01 0.21 0.30 0.00 3.32 0.00 0.00 57.90 61.74 2qtr n TYR 112 Cb 0.44 -0.80 0.56 0.00 -0.63 0.00 0.00 39.34 38.91 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 0.39 -2.27 2.98 3.38 -1.28 0.12 115.31 118.63 2qtr h LEU 113 Ca 0.00 0.18 0.00 0.00 0.09 0.00 0.00 57.88 58.15 2qtr h LEU 113 Cb 0.73 0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.64 2qtr h LEU 113 CO 0.00 -0.20 0.00 -0.65 0.09 0.00 0.00 178.44 177.68 2qtr h PRO 114 N 0.19 0.00 0.00 1.13 0.11 -1.86 -1.29 132.00 130.28 2qtr h PRO 114 Ca 0.78 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.89 2qtr h PRO 114 Cb 2.06 0.00 0.00 0.00 0.11 0.00 0.00 31.00 33.17 2qtr h PRO 114 CO -0.57 0.00 -0.28 1.63 -0.21 0.00 0.00 178.00 178.58 2qtr n LYS 115 N -3.03 0.05 -2.22 1.05 5.02 0.43 -4.91 118.16 114.55 2qtr n LYS 115 Ca -0.01 0.02 -0.41 0.00 -2.02 0.00 0.00 58.31 55.89 2qtr n LYS 115 Cb 0.17 -1.54 -0.03 0.00 -0.02 0.00 0.00 35.03 33.61 2qtr n LYS 115 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 2qtr s TRP 116 N -3.02 3.25 0.17 2.13 0.52 -0.49 -4.96 118.94 116.53 2qtr s TRP 116 Ca 0.12 1.29 -0.32 0.00 0.02 0.00 0.00 56.10 57.20 2qtr s TRP 116 Cb 0.17 -3.59 -0.12 0.00 -1.15 0.00 0.00 33.47 28.78 2qtr s TRP 116 CO 0.63 -1.78 1.73 0.98 0.02 0.00 0.00 176.95 178.53 2qtr n TYR 117 N 2.22 2.62 -3.90 -1.98 -0.00 -1.26 -2.52 117.16 112.33 2qtr n TYR 117 Ca 0.05 0.03 -0.30 0.00 -0.00 0.00 0.00 57.90 57.67 2qtr n TYR 117 Cb 0.43 -2.67 0.03 0.00 -0.00 0.00 0.00 39.34 37.13 2qtr n TYR 117 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.86 176.95 2qtr n ASN 118 N 4.39 -4.86 -0.35 2.98 5.03 -1.26 -4.51 115.26 116.67 2qtr n ASN 118 Ca 0.17 -0.77 0.07 0.00 0.87 0.00 0.00 54.58 54.92 2qtr n ASN 118 Cb 0.34 -3.88 0.24 0.00 -1.02 0.00 0.00 39.78 35.46 2qtr n ASN 118 CO 0.00 0.00 0.00 -0.29 -1.83 0.00 0.00 177.26 175.14 2qtr h ILE 119 N -2.07 0.95 -0.56 2.41 6.09 -1.82 0.62 117.51 123.13 2qtr h ILE 119 Ca -0.58 -0.35 -0.09 0.00 -1.37 0.00 0.00 64.86 62.47 2qtr h ILE 119 Cb 1.38 -0.14 -0.02 0.00 0.47 0.00 0.00 36.82 38.51 2qtr h ILE 119 CO 0.67 0.18 -0.01 -0.33 -3.07 0.00 0.00 178.15 175.59 2qtr h GLU 120 N 1.01 1.00 -0.18 2.19 4.39 -1.89 -1.00 114.58 120.09 2qtr h GLU 120 Ca 0.47 -0.33 -0.15 0.00 0.34 0.00 0.00 59.36 59.70 2qtr h GLU 120 Cb 0.43 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.98 2qtr h GLU 120 CO -0.23 1.00 -0.52 0.00 -1.16 0.00 0.00 179.01 178.10 2qtr h ALA 121 N 0.96 0.76 -0.26 3.43 0.00 -1.80 -3.05 119.26 119.30 2qtr h ALA 121 Ca 0.16 -0.50 -0.07 0.00 0.00 0.00 0.00 54.91 54.51 2qtr h ALA 121 Cb 0.56 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 2qtr h ALA 121 CO 0.03 0.68 -0.13 1.25 0.00 0.00 0.00 179.25 181.08 2qtr h LEU 122 N 0.40 0.42 -2.27 0.00 5.85 -0.58 -2.28 115.31 116.85 2qtr h LEU 122 Ca 0.01 -0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.63 2qtr h LEU 122 Cb 1.04 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.96 2qtr h LEU 122 CO 0.10 0.58 0.00 -0.07 -0.34 0.00 0.00 178.44 178.70 2qtr h LEU 123 N 0.40 0.00 -0.23 2.25 3.38 -1.07 -0.51 115.31 119.53 2qtr h LEU 123 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 2qtr h LEU 123 Cb 0.47 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.22 2qtr h LEU 123 CO 0.03 0.00 -0.39 0.47 0.09 0.00 0.00 178.44 178.63 2qtr n ASP 124 N -3.00 0.75 -0.04 -0.43 8.00 -0.86 -4.03 116.55 116.94 2qtr n ASP 124 Ca -0.01 -0.55 0.03 0.00 0.71 0.00 0.00 54.79 54.96 2qtr n ASP 124 Cb 0.16 0.20 -0.14 0.00 -0.02 0.00 0.00 41.12 41.32 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 -1.11 0.00 -4.12 0.64 4.77 -0.26 -5.03 117.00 111.88 2qtr n LEU 125 Ca 0.09 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.96 2qtr n LEU 125 Cb 0.34 0.16 -0.09 0.00 -2.33 0.00 0.00 43.42 41.50 2qtr n LEU 125 CO 0.31 0.16 -0.20 0.68 -1.33 0.00 0.00 177.39 177.01 2qtr s VAL 126 N -2.96 0.06 -0.28 4.08 -7.23 -0.83 -4.61 120.40 108.63 2qtr s VAL 126 Ca -0.07 -1.81 -0.05 0.00 -1.81 0.00 0.00 61.98 58.23 2qtr s VAL 126 Cb 0.09 -2.17 0.02 0.00 0.56 0.00 0.00 36.38 34.89 2qtr s VAL 126 CO 0.75 -0.26 0.03 -0.89 -0.31 0.00 0.00 175.10 174.42 2qtr s THR 127 N -4.07 3.52 0.28 5.32 2.01 -0.66 -4.64 115.64 117.41 2qtr s THR 127 Ca 0.28 -0.88 -0.29 0.00 0.31 0.00 0.00 61.69 61.11 2qtr s THR 127 Cb 0.06 -2.83 -0.09 0.00 0.01 0.00 0.00 72.50 69.65 2qtr s THR 127 CO 0.05 0.09 1.03 -0.36 -0.69 0.00 0.00 174.62 174.74 2qtr s PHE 128 N 1.42 3.69 -0.25 4.92 0.08 -1.26 -1.15 117.98 125.43 2qtr s PHE 128 Ca 0.01 1.77 0.02 0.00 0.12 0.00 0.00 56.93 58.85 2qtr s PHE 128 Cb -0.17 -3.14 0.05 0.00 -0.57 0.00 0.00 43.02 39.19 2qtr s PHE 128 CO -0.00 -0.16 -0.12 0.08 -0.10 0.00 0.00 175.22 174.92 2qtr s VAL 129 N -1.26 2.24 -0.08 -0.44 1.01 0.13 -0.99 120.40 121.01 2qtr s VAL 129 Ca 0.45 -1.47 -0.12 0.00 0.00 0.00 0.00 61.98 60.85 2qtr s VAL 129 Cb -0.28 -2.25 -0.05 0.00 0.00 0.00 0.00 36.38 33.80 2qtr s VAL 129 CO 0.35 0.07 0.28 -0.83 0.00 0.00 0.00 175.10 174.97 2qtr s GLY 130 N 1.15 2.30 0.00 4.51 0.00 0.12 -1.28 107.32 114.13 2qtr s GLY 130 Ca -0.06 -0.43 0.06 0.00 0.00 0.00 0.00 44.72 44.28 2qtr s GLY 130 CO -0.06 0.00 -0.18 -1.34 0.00 0.00 0.00 173.10 171.52 2qtr s VAL 131 N -0.73 1.44 0.64 1.40 -7.23 -0.56 -2.48 120.40 112.88 2qtr s VAL 131 Ca 0.19 -0.88 -0.18 0.00 -1.81 0.00 0.00 61.98 59.30 2qtr s VAL 131 Cb -0.14 -1.22 -0.02 0.00 0.56 0.00 0.00 36.38 35.57 2qtr s VAL 131 CO 0.08 0.32 1.28 0.00 -0.31 0.00 0.00 175.10 176.47 2qtr s ALA 132 N -0.54 2.41 -0.14 1.32 0.00 -1.26 -0.99 121.76 122.56 2qtr s ALA 132 Ca 0.07 1.18 -0.08 0.00 0.00 0.00 0.00 51.96 53.13 2qtr s ALA 132 Cb -0.07 -3.54 0.05 0.00 0.00 0.00 0.00 23.12 19.56 2qtr s ALA 132 CO 0.00 -1.52 0.33 0.50 0.00 0.00 0.00 175.76 175.07 2qtr s ARG 133 N -3.37 0.32 0.14 0.00 3.52 -1.26 -4.61 118.95 113.68 2qtr s ARG 133 Ca 0.82 0.64 -0.34 0.00 -0.13 0.00 0.00 55.73 56.71 2qtr s ARG 133 Cb -0.36 -0.03 -0.14 0.00 -1.56 0.00 0.00 34.95 32.85 2qtr s ARG 133 CO 0.38 -0.14 1.55 -2.30 -0.81 0.00 0.00 175.30 173.98 2qtr n PRO 134 N 4.06 1.98 -0.30 5.12 -0.02 -1.26 -1.50 135.00 143.08 2qtr n PRO 134 Ca -0.23 0.72 0.00 0.00 -2.02 0.00 0.00 63.50 61.97 2qtr n PRO 134 Cb 0.55 -2.47 0.00 0.00 -0.02 0.00 0.00 33.50 31.56 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 3.31 0.81 3.23 -1.23 0.00 -1.26 -4.93 105.19 105.12 2qtr n GLY 135 Ca 0.17 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.06 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 -2.69 1.18 0.06 1.61 1.51 -0.56 -5.03 117.35 113.43 2qtr s TYR 136 Ca 0.00 -0.85 0.07 0.00 -1.01 0.00 0.00 57.07 55.28 2qtr s TYR 136 Cb 0.00 -0.63 -0.03 0.00 -0.11 0.00 0.00 41.96 41.19 2qtr s TYR 136 CO 0.00 -0.03 -0.18 0.15 -1.11 0.00 0.00 175.55 174.38 2qtr s LYS 137 N -3.80 1.12 -1.51 -0.62 -0.14 -1.26 -4.56 119.74 108.97 2qtr s LYS 137 Ca 0.17 -0.97 -0.10 0.00 -1.36 0.00 0.00 55.97 53.71 2qtr s LYS 137 Cb 0.04 -1.25 -0.00 0.00 -1.68 0.00 0.00 37.83 34.94 2qtr s LYS 137 CO 0.00 0.30 2.64 1.28 -0.76 0.00 0.00 175.35 178.81 2qtr n LEU 138 N 1.54 8.13 -4.42 3.17 4.77 -1.26 -4.62 117.00 124.32 2qtr n LEU 138 Ca -0.19 -4.45 -0.36 0.00 -0.03 0.00 0.00 56.01 50.98 2qtr n LEU 138 Cb 0.54 -1.53 -0.13 0.00 -2.33 0.00 0.00 43.42 39.97 2qtr n LEU 138 CO 0.23 1.85 -0.31 -0.60 -1.33 0.00 0.00 177.39 177.22 2qtr s ARG 139 N 1.56 3.60 -0.14 3.23 6.06 -1.26 -5.08 118.95 126.91 2qtr s ARG 139 Ca 0.60 -0.51 -0.30 0.00 -2.50 0.00 0.00 55.73 53.02 2qtr s ARG 139 Cb 0.17 -3.23 0.12 0.00 0.06 0.00 0.00 34.95 32.06 2qtr s ARG 139 CO -0.07 -0.17 0.94 -0.08 -2.50 0.00 0.00 175.30 173.42 2qtr s THR 140 N 1.51 0.00 -0.90 4.11 -1.32 -1.26 -4.39 115.64 113.39 2qtr s THR 140 Ca 0.06 0.00 0.27 0.00 -1.21 0.00 0.00 61.69 60.80 2qtr s THR 140 Cb -0.15 -1.00 0.15 0.00 -1.51 0.00 0.00 72.50 69.99 2qtr s THR 140 CO 0.02 0.00 1.67 -0.81 -2.21 0.00 0.00 174.62 173.29 2qtr n PRO 141 N 0.83 0.09 -2.71 7.08 -0.04 -1.26 -4.90 135.00 134.09 2qtr n PRO 141 Ca -0.12 0.05 -0.32 0.00 -0.04 0.00 0.00 63.50 63.07 2qtr n PRO 141 Cb 0.58 -1.58 -0.04 0.00 -0.04 0.00 0.00 33.50 32.42 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 -3.04 3.42 -0.95 0.54 1.51 -1.26 -4.96 117.35 112.61 2qtr s TYR 142 Ca 0.11 1.34 -0.12 0.00 -1.01 0.00 0.00 57.07 57.40 2qtr s TYR 142 Cb 0.17 -2.67 -0.08 0.00 -0.11 0.00 0.00 41.96 39.26 2qtr s TYR 142 CO 0.62 -0.18 2.11 -0.35 -1.11 0.00 0.00 175.55 176.63 2qtr n PRO 143 N -1.15 2.04 -2.34 -1.71 -0.04 -1.26 -4.96 135.00 125.57 2qtr n PRO 143 Ca 0.05 -1.71 -0.30 0.00 -0.04 0.00 0.00 63.50 61.49 2qtr n PRO 143 Cb 0.54 -2.69 -0.01 0.00 -0.04 0.00 0.00 33.50 31.30 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 3.87 4.74 -0.17 0.52 -4.36 -1.26 -4.69 121.20 119.84 2qtr s ILE 144 Ca 0.48 0.73 -0.07 0.00 -0.26 0.00 0.00 60.65 61.53 2qtr s ILE 144 Cb 0.12 -3.81 -0.04 0.00 1.25 0.00 0.00 42.46 39.98 2qtr s ILE 144 CO 0.01 -0.87 0.08 -0.89 0.24 0.00 0.00 174.94 173.52 2qtr s THR 145 N -2.81 4.98 0.14 8.37 2.01 -0.17 -4.94 115.64 123.22 2qtr s THR 145 Ca 0.53 0.03 0.03 0.00 0.31 0.00 0.00 61.69 62.59 2qtr s THR 145 Cb -0.10 -3.23 -0.04 0.00 0.01 0.00 0.00 72.50 69.14 2qtr s THR 145 CO 0.43 0.50 0.22 0.42 -0.69 0.00 0.00 174.62 175.50 2qtr s THR 146 N 0.03 5.02 -0.04 -0.82 -4.23 -1.26 0.13 115.64 114.46 2qtr s THR 146 Ca 0.07 -0.80 -0.01 0.00 -1.18 0.00 0.00 61.69 59.77 2qtr s THR 146 Cb -0.12 -3.56 0.03 0.00 1.34 0.00 0.00 72.50 70.19 2qtr s THR 146 CO 0.00 -0.07 0.04 -0.69 -0.54 0.00 0.00 174.62 173.36 2qtr s VAL 147 N -1.71 0.05 -0.09 2.29 1.01 -1.04 -4.91 120.40 115.99 2qtr s VAL 147 Ca 0.33 0.29 -0.30 0.00 0.00 0.00 0.00 61.98 62.30 2qtr s VAL 147 Cb -0.11 -0.25 -0.02 0.00 0.00 0.00 0.00 36.38 36.00 2qtr s VAL 147 CO 0.26 0.18 1.16 -1.61 0.00 0.00 0.00 175.10 175.09 2qtr s GLU 148 N 1.85 4.35 0.15 2.72 2.02 -1.26 -4.47 118.70 124.06 2qtr s GLU 148 Ca 0.01 1.59 0.01 0.00 0.02 0.00 0.00 54.97 56.61 2qtr s GLU 148 Cb -0.12 -3.59 -0.04 0.00 0.10 0.00 0.00 34.13 30.48 2qtr s GLU 148 CO -0.03 -0.46 0.00 0.96 0.02 0.00 0.00 175.26 175.75 2qtr s ILE 149 N 2.40 0.56 -0.80 -1.63 -4.36 -1.26 -5.05 121.20 111.06 2qtr s ILE 149 Ca 0.53 -1.96 -0.25 0.00 -0.26 0.00 0.00 60.65 58.72 2qtr s ILE 149 Cb -0.22 -2.03 0.05 0.00 1.25 0.00 0.00 42.46 41.51 2qtr s ILE 149 CO 0.19 -0.54 1.25 -2.16 0.24 0.00 0.00 174.94 173.92 2qtr s PRO 150 N -3.93 3.29 0.32 0.37 0.04 -1.26 -4.94 135.00 128.89 2qtr s PRO 150 Ca 0.22 -0.65 -0.25 0.00 0.04 0.00 0.00 61.00 60.35 2qtr s PRO 150 Cb 0.06 -4.50 -0.15 0.00 0.04 0.00 0.00 34.50 29.95 2qtr s PRO 150 CO 0.02 -2.07 0.53 0.39 0.04 0.00 0.00 177.00 175.91 2qtr n GLU 151 N 8.76 0.42 -3.60 4.56 1.02 -1.26 -5.02 120.64 125.51 2qtr n GLU 151 Ca 0.10 0.15 -0.20 0.00 -0.02 0.00 0.00 57.16 57.18 2qtr n GLU 151 Cb 0.49 -1.31 -0.15 0.00 -0.02 0.00 0.00 31.44 30.45 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 -1.28 -0.07 -1.49 -0.32 5.99 -1.26 -5.00 117.98 114.55 2qtr s PHE 152 Ca 0.62 0.17 0.00 0.00 0.00 0.00 0.00 56.93 57.72 2qtr s PHE 152 Cb -0.73 -0.45 0.00 0.00 0.00 0.00 0.00 43.02 41.84 2qtr s PHE 152 CO 0.59 -0.44 0.67 0.00 -0.00 0.00 0.00 175.22 176.04 2qtr n ALA 153 N 5.31 2.38 -1.77 11.12 0.00 -1.26 -4.71 120.51 131.58 2qtr n ALA 153 Ca -0.05 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 52.99 2qtr n ALA 153 Cb 0.49 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.95 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 -1.49 2.52 0.03 0.00 0.11 -1.26 -5.00 120.40 115.32 2qtr s VAL 154 Ca 0.00 0.46 -0.11 0.00 -2.93 0.00 0.00 61.98 59.40 2qtr s VAL 154 Cb 0.00 -3.26 0.01 0.00 -1.53 0.00 0.00 36.38 31.60 2qtr s VAL 154 CO 0.00 0.06 0.23 -0.94 -3.33 0.00 0.00 175.10 171.11 2qtr s SER 155 N -0.76 -0.03 0.22 3.54 1.04 -1.26 -4.86 113.70 111.59 2qtr s SER 155 Ca 0.59 -0.25 -0.09 0.00 0.48 0.00 0.00 55.95 56.68 2qtr s SER 155 Cb -0.38 0.30 0.19 0.00 0.10 0.00 0.00 66.02 66.22 2qtr s SER 155 CO 0.49 -0.53 1.88 0.28 0.98 0.00 0.00 173.24 176.34 2qtr h SER 156 N 3.56 0.90 -0.85 7.02 0.02 -1.89 -0.97 113.55 121.34 2qtr h SER 156 Ca -0.32 -0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 60.59 2qtr h SER 156 Cb 1.19 -0.22 -0.04 0.00 0.14 0.00 0.00 62.40 63.47 2qtr h SER 156 CO 0.46 0.64 0.43 0.77 -1.14 0.00 0.00 176.83 177.99 2qtr h SER 157 N 1.06 1.09 -0.46 3.07 4.64 -1.95 0.49 113.55 121.50 2qtr h SER 157 Ca 0.30 -0.12 -0.09 0.00 -0.47 0.00 0.00 61.79 61.41 2qtr h SER 157 Cb -0.09 -0.28 -0.02 0.00 -0.31 0.00 0.00 62.40 61.70 2qtr h SER 157 CO -0.08 0.90 -0.06 0.25 -0.87 0.00 0.00 176.83 176.98 2qtr h LEU 158 N 1.20 0.90 -0.20 5.97 5.85 -1.85 -1.26 115.31 125.92 2qtr h LEU 158 Ca 0.29 -0.26 -0.05 0.00 0.84 0.00 0.00 57.88 58.70 2qtr h LEU 158 Cb 0.08 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.87 2qtr h LEU 158 CO -0.04 0.99 -0.07 -0.07 -0.34 0.00 0.00 178.44 178.91 2qtr h LEU 159 N 0.83 0.41 -0.78 2.25 3.38 -0.25 0.23 115.31 121.38 2qtr h LEU 159 Ca 0.14 -0.39 0.02 0.00 0.09 0.00 0.00 57.88 57.75 2qtr h LEU 159 Cb 0.57 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.17 2qtr h LEU 159 CO 0.03 0.70 0.51 0.03 0.09 0.00 0.00 178.44 179.80 2qtr h ARG 160 N 0.11 0.99 -0.41 1.13 3.08 0.05 0.67 114.38 120.00 2qtr h ARG 160 Ca 0.05 -0.06 -0.04 0.00 0.07 0.00 0.00 59.98 60.00 2qtr h ARG 160 Cb 0.53 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 30.34 2qtr h ARG 160 CO 0.02 0.65 0.09 1.49 -1.07 0.00 0.00 179.97 181.15 2qtr h GLU 161 N 1.02 0.66 -0.48 0.04 4.81 -1.12 -1.71 114.58 117.80 2qtr h GLU 161 Ca 0.30 -0.17 -0.08 0.00 -0.13 0.00 0.00 59.36 59.29 2qtr h GLU 161 Cb -0.06 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.22 2qtr h GLU 161 CO -0.09 0.69 -0.02 0.00 -0.73 0.00 0.00 179.01 178.86 2qtr h ARG 162 N 0.52 0.82 -0.57 1.92 3.08 -0.41 0.22 114.38 119.96 2qtr h ARG 162 Ca 0.13 -0.23 -0.05 0.00 0.07 0.00 0.00 59.98 59.90 2qtr h ARG 162 Cb 0.33 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.27 2qtr h ARG 162 CO 0.00 0.83 0.17 1.88 -1.07 0.00 0.00 179.97 181.79 2qtr h TYR 163 N 0.76 0.92 0.01 3.04 -1.99 -0.70 0.62 116.97 119.62 2qtr h TYR 163 Ca 0.14 -0.10 0.00 0.00 2.00 0.00 0.00 58.73 60.78 2qtr h TYR 163 Cb 0.48 -0.27 -0.00 0.00 2.00 0.00 0.00 36.73 38.95 2qtr h TYR 163 CO 0.03 0.78 -0.01 -0.22 -0.00 0.00 0.00 178.16 178.73 2qtr h LYS 164 N 0.80 -0.03 0.00 4.88 3.64 -0.89 -2.36 116.57 122.62 2qtr h LYS 164 Ca 0.18 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.56 2qtr h LYS 164 Cb 0.29 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.12 2qtr h LYS 164 CO -0.00 -0.02 0.00 0.39 -2.27 0.00 0.00 179.45 177.55 2qtr n GLU 165 N -5.11 0.97 -3.32 1.90 1.02 0.03 -4.89 120.64 111.24 2qtr n GLU 165 Ca -0.07 0.00 -0.24 0.00 -0.02 0.00 0.00 57.16 56.83 2qtr n GLU 165 Cb 0.04 -1.21 0.05 0.00 -0.02 0.00 0.00 31.44 30.30 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 -0.71 -6.10 -3.76 3.49 4.76 0.34 -4.99 118.16 111.19 2qtr n LYS 166 Ca 0.10 0.84 -0.25 0.00 -2.87 0.00 0.00 58.31 56.14 2qtr n LYS 166 Cb 0.05 -5.78 -0.02 0.00 -1.84 0.00 0.00 35.03 27.43 2qtr n LYS 166 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 2qtr s LYS 167 N -6.02 3.48 0.38 1.97 1.02 0.19 -5.01 119.74 115.76 2qtr s LYS 167 Ca 0.44 -0.51 -0.27 0.00 0.02 0.00 0.00 55.97 55.65 2qtr s LYS 167 Cb -0.20 -2.85 -0.11 0.00 -0.52 0.00 0.00 37.83 34.16 2qtr s LYS 167 CO 0.55 0.39 1.39 -2.37 -0.92 0.00 0.00 175.35 174.38 2qtr n THR 168 N -1.06 2.18 -0.74 2.17 5.66 -1.26 -4.48 114.28 116.75 2qtr n THR 168 Ca -0.06 -0.50 0.02 0.00 -3.05 0.00 0.00 64.05 60.45 2qtr n THR 168 Cb 0.55 -1.77 0.02 0.00 -1.55 0.00 0.00 70.33 67.59 2qtr n THR 168 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2qtr n LYS 170 N -0.46 2.43 -0.03 0.00 4.81 -1.26 -1.94 118.16 121.72 2qtr n LYS 170 Ca 0.03 0.86 0.00 0.00 -0.87 0.00 0.00 58.31 58.33 2qtr n LYS 170 Cb 0.45 -2.58 0.00 0.00 0.02 0.00 0.00 35.03 32.92 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 1.79 0.00 0.07 5.64 0.53 -1.26 -4.86 117.16 119.08 2qtr n TYR 171 Ca 0.09 0.00 0.02 0.00 -1.02 0.00 0.00 57.90 56.99 2qtr n TYR 171 Cb 0.35 -0.22 -0.04 0.00 -1.03 0.00 0.00 39.34 38.40 2qtr n TYR 171 CO 0.00 0.00 0.00 -0.07 -1.02 0.00 0.00 176.86 175.77 2qtr h LEU 172 N 0.00 0.00 -7.36 7.72 3.38 -1.80 -3.46 115.31 113.79 2qtr h LEU 172 Ca 0.00 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 2qtr h LEU 172 Cb 0.00 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 40.61 2qtr h LEU 172 CO 0.00 0.50 -0.06 -1.48 0.09 0.00 0.00 178.44 177.49 2qtr s LEU 173 N -5.94 0.33 0.43 1.67 2.34 -1.26 -1.39 118.68 114.86 2qtr s LEU 173 Ca -0.01 -0.20 -0.24 0.00 0.06 0.00 0.00 54.13 53.74 2qtr s LEU 173 Cb 0.08 1.87 -0.10 0.00 -0.56 0.00 0.00 46.19 47.48 2qtr s LEU 173 CO 0.79 -0.81 1.11 -2.65 -1.06 0.00 0.00 176.35 173.73 2qtr n PRO 174 N -0.03 1.53 -0.29 1.48 -0.02 -1.26 -4.81 135.00 131.61 2qtr n PRO 174 Ca -0.17 0.55 0.06 0.00 -2.02 0.00 0.00 63.50 61.92 2qtr n PRO 174 Cb 0.63 -2.17 0.20 0.00 -0.02 0.00 0.00 33.50 32.14 2qtr n PRO 174 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2qtr h GLU 175 N 1.69 0.63 -0.40 -0.52 4.57 -1.99 -1.52 114.58 117.03 2qtr h GLU 175 Ca -0.46 -0.04 -0.07 0.00 -1.18 0.00 0.00 59.36 57.62 2qtr h GLU 175 Cb 1.32 -0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 29.75 2qtr h GLU 175 CO 0.58 0.42 -0.03 0.87 -1.18 0.00 0.00 179.01 179.66 2qtr h LYS 176 N 0.65 0.66 -0.47 1.92 1.57 -1.91 -0.78 116.57 118.21 2qtr h LYS 176 Ca 0.43 -0.17 -0.12 0.00 -1.87 0.00 0.00 60.65 58.93 2qtr h LYS 176 Cb 0.56 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.78 2qtr h LYS 176 CO -0.33 0.69 -0.17 0.28 -0.57 0.00 0.00 179.45 179.35 2qtr h VAL 177 N 0.62 1.27 -0.70 0.50 2.07 -1.64 -1.35 116.25 117.01 2qtr h VAL 177 Ca 0.12 -1.32 0.01 0.00 0.82 0.00 0.00 66.70 66.33 2qtr h VAL 177 Cb 0.43 1.14 -0.04 0.00 -1.52 0.00 0.00 31.29 31.30 2qtr h VAL 177 CO 0.02 0.45 0.46 1.56 0.02 0.00 0.00 177.57 180.09 2qtr h GLN 178 N 0.78 0.92 -0.19 1.57 4.20 -0.75 -0.61 115.11 121.04 2qtr h GLN 178 Ca 0.11 -0.06 -0.00 0.00 0.06 0.00 0.00 58.65 58.76 2qtr h GLN 178 Cb 0.74 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 28.31 2qtr h GLN 178 CO 0.06 0.61 0.11 0.28 -0.67 0.00 0.00 178.83 179.21 2qtr h VAL 179 N 0.95 1.11 -0.56 -0.54 2.07 -0.90 -1.51 116.25 116.87 2qtr h VAL 179 Ca 0.26 -0.29 0.03 0.00 0.82 0.00 0.00 66.70 67.52 2qtr h VAL 179 Cb -0.10 0.95 -0.04 0.00 -1.52 0.00 0.00 31.29 30.58 2qtr h VAL 179 CO -0.06 0.10 0.32 0.22 0.02 0.00 0.00 177.57 178.18 2qtr h TYR 180 N 0.21 0.60 -0.09 1.57 3.20 -0.91 -0.63 116.97 120.92 2qtr h TYR 180 Ca 0.07 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.95 2qtr h TYR 180 Cb 0.07 -0.19 -0.00 0.00 1.54 0.00 0.00 36.73 38.15 2qtr h TYR 180 CO -0.04 0.33 0.04 0.82 -1.64 0.00 0.00 178.16 177.68 2qtr h ILE 181 N 0.63 1.11 -0.54 1.81 2.04 -0.83 -1.83 117.51 119.89 2qtr h ILE 181 Ca 0.23 -0.31 -0.07 0.00 1.00 0.00 0.00 64.86 65.71 2qtr h ILE 181 Cb 0.06 1.15 -0.02 0.00 -0.74 0.00 0.00 36.82 37.27 2qtr h ILE 181 CO -0.12 0.09 0.06 -0.33 0.00 0.00 0.00 178.15 177.86 2qtr h GLU 182 N 0.03 0.91 -0.38 2.37 5.08 -1.16 -0.62 114.58 120.81 2qtr h GLU 182 Ca 0.03 -0.26 0.00 0.00 -1.00 0.00 0.00 59.36 58.14 2qtr h GLU 182 Cb 0.11 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 2qtr h GLU 182 CO -0.00 0.90 0.25 -0.09 -1.00 0.00 0.00 179.01 179.06 2qtr h ARG 183 N 0.79 0.50 -0.08 2.33 2.43 -1.07 -2.51 114.38 116.77 2qtr h ARG 183 Ca 0.16 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 2qtr h ARG 183 Cb 0.44 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.88 2qtr h ARG 183 CO 0.02 0.34 0.00 0.09 -1.51 0.00 0.00 179.97 178.90 2qtr n ASN 184 N -4.82 1.09 -1.88 -3.80 4.13 -0.70 -4.94 115.26 104.35 2qtr n ASN 184 Ca 0.00 -1.54 -0.19 0.00 1.68 0.00 0.00 54.58 54.53 2qtr n ASN 184 Cb 0.03 -0.05 -0.04 0.00 -1.54 0.00 0.00 39.78 38.17 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 1.05 0.66 3.71 7.41 0.00 -0.47 -4.97 105.19 112.57 2qtr n GLY 185 Ca 0.17 -0.07 -0.34 0.00 0.00 0.00 0.00 46.02 45.78 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 -5.05 3.24 -1.22 0.99 1.43 -0.37 -3.08 118.68 114.62 2qtr s LEU 186 Ca 0.00 2.35 0.00 0.00 -1.03 0.00 0.00 54.13 55.45 2qtr s LEU 186 Cb 0.00 -4.59 0.00 0.00 0.03 0.00 0.00 46.19 41.63 2qtr s LEU 186 CO 0.00 -2.42 0.00 -1.22 0.23 0.00 0.00 176.35 172.94 2qtr n TYR 187 N -2.97 -0.56 -1.86 0.29 4.01 -1.26 0.36 117.16 115.17 2qtr n TYR 187 Ca 0.13 0.00 -0.00 0.00 -0.16 0.00 0.00 57.90 57.87 2qtr n TYR 187 Cb 0.50 -2.43 -0.00 0.00 -0.31 0.00 0.00 39.34 37.11 2qtr n TYR 187 CO 0.00 0.00 0.00 -1.91 -0.46 0.00 0.00 176.86 174.49 2qtr n GLU 188 N -1.89 -0.03 0.00 -0.72 2.13 -1.18 -2.30 120.64 116.65 2qtr n GLU 188 Ca -0.12 0.09 0.00 0.00 0.66 0.00 0.00 57.16 57.79 2qtr n GLU 188 Cb 0.41 -3.61 0.00 0.00 0.27 0.00 0.00 31.44 28.51 2qtr n GLU 188 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15