#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 3.64 -0.17 0.03 3.52 -1.25 -4.94 118.95 119.78 2qtr s ARG 2 Ca 0.00 -1.30 -0.29 0.00 -0.13 0.00 0.00 55.73 54.00 2qtr s ARG 2 Cb 0.00 -5.33 -0.00 0.00 -1.56 0.00 0.00 34.95 28.05 2qtr s ARG 2 CO 0.00 -2.17 1.10 0.15 -0.81 0.00 0.00 175.30 173.57 2qtr s LYS 3 N 4.62 4.30 -0.04 5.12 1.02 -1.26 -2.27 119.74 131.23 2qtr s LYS 3 Ca 0.46 1.47 0.06 0.00 0.02 0.00 0.00 55.97 57.97 2qtr s LYS 3 Cb -0.00 -3.64 -0.01 0.00 -0.52 0.00 0.00 37.83 33.66 2qtr s LYS 3 CO -0.08 -0.56 -0.21 0.42 -0.92 0.00 0.00 175.35 174.00 2qtr s ILE 4 N 2.89 1.75 0.13 2.17 1.01 -0.95 -0.69 121.20 127.51 2qtr s ILE 4 Ca 0.49 -0.91 -0.06 0.00 0.00 0.00 0.00 60.65 60.17 2qtr s ILE 4 Cb -0.18 -1.48 -0.06 0.00 0.01 0.00 0.00 42.46 40.75 2qtr s ILE 4 CO 0.12 0.49 0.39 -0.83 0.00 0.00 0.00 174.94 175.11 2qtr s GLY 5 N -0.17 2.26 -0.08 6.18 0.00 0.21 -0.81 107.32 114.91 2qtr s GLY 5 Ca -0.01 -0.51 -0.01 0.00 0.00 0.00 0.00 44.72 44.19 2qtr s GLY 5 CO 0.02 -0.40 -0.02 -0.42 0.00 0.00 0.00 173.10 172.29 2qtr s ILE 6 N -1.61 0.52 -0.36 0.90 1.01 -0.17 -0.05 121.20 121.44 2qtr s ILE 6 Ca 0.39 0.02 -0.06 0.00 0.00 0.00 0.00 60.65 61.01 2qtr s ILE 6 Cb -0.12 -0.64 0.06 0.00 0.01 0.00 0.00 42.46 41.77 2qtr s ILE 6 CO 0.23 0.28 0.14 -0.51 0.00 0.00 0.00 174.94 175.08 2qtr s ILE 7 N 1.87 3.66 0.41 2.92 2.07 0.29 -1.08 121.20 131.35 2qtr s ILE 7 Ca 0.04 -1.40 -0.21 0.00 -1.41 0.00 0.00 60.65 57.68 2qtr s ILE 7 Cb -0.12 -3.19 -0.11 0.00 0.13 0.00 0.00 42.46 39.16 2qtr s ILE 7 CO -0.06 -0.33 0.93 -0.83 -1.91 0.00 0.00 174.94 172.74 2qtr s GLY 8 N 1.62 2.40 -0.02 1.50 0.00 -1.26 -1.19 107.32 110.37 2qtr s GLY 8 Ca 0.01 0.37 -0.30 0.00 0.00 0.00 0.00 44.72 44.79 2qtr s GLY 8 CO 0.01 0.65 1.29 -0.32 0.00 0.00 0.00 173.10 174.73 2qtr s GLY 9 N -2.16 -0.40 -0.14 0.20 0.00 -0.63 -4.88 107.32 99.30 2qtr s GLY 9 Ca 0.61 0.66 -0.01 0.00 0.00 0.00 0.00 44.72 45.98 2qtr s GLY 9 CO 0.14 0.50 0.26 2.41 0.00 0.00 0.00 173.10 176.40 2qtr n THR 10 N -0.52 1.67 -3.39 0.90 -1.04 -1.26 -1.53 114.28 109.12 2qtr n THR 10 Ca -0.08 -0.67 -0.17 0.00 -2.04 0.00 0.00 64.05 61.09 2qtr n THR 10 Cb 0.63 -1.49 0.04 0.00 -1.82 0.00 0.00 70.33 67.68 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 -3.33 -2.39 -3.29 -1.42 3.01 -1.26 -4.76 117.46 104.03 2qtr n PHE 11 Ca -0.33 0.80 -0.25 0.00 1.01 0.00 0.00 57.45 58.67 2qtr n PHE 11 Cb 1.04 -3.78 -0.07 0.00 -0.01 0.00 0.00 39.48 36.65 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 -2.62 1.55 -4.99 4.37 2.03 -1.26 -3.35 116.55 112.28 2qtr n ASP 12 Ca -0.08 -2.98 -0.19 0.00 0.52 0.00 0.00 54.79 52.06 2qtr n ASP 12 Cb 0.59 -0.65 0.02 0.00 -0.72 0.00 0.00 41.12 40.36 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 -1.66 2.71 0.44 -0.67 0.04 -1.26 -4.74 135.00 129.85 2qtr s PRO 13 Ca 0.37 -0.98 -0.23 0.00 0.04 0.00 0.00 61.00 60.20 2qtr s PRO 13 Cb 0.16 -2.62 -0.08 0.00 0.04 0.00 0.00 34.50 32.00 2qtr s PRO 13 CO -0.07 -0.48 1.09 -1.25 0.04 0.00 0.00 177.00 176.33 2qtr s PRO 14 N -4.56 3.95 0.14 0.56 0.04 -1.21 -4.69 135.00 129.23 2qtr s PRO 14 Ca 0.55 1.59 0.01 0.00 0.04 0.00 0.00 61.00 63.20 2qtr s PRO 14 Cb -0.10 -2.42 -0.00 0.00 0.04 0.00 0.00 34.50 32.01 2qtr s PRO 14 CO 0.36 -0.35 0.16 -2.39 0.04 0.00 0.00 177.00 174.82 2qtr n HIS 15 N -0.36 -0.60 0.26 0.56 1.44 -1.26 -4.76 115.22 110.50 2qtr n HIS 15 Ca 0.07 -1.06 0.12 0.00 -2.01 0.00 0.00 57.72 54.83 2qtr n HIS 15 Cb 0.49 0.18 0.69 0.00 0.12 0.00 0.00 29.99 31.47 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 1.43 0.00 -0.75 -1.40 0.99 -1.59 -2.42 116.97 113.23 2qtr h TYR 16 Ca -0.10 0.00 -0.06 0.00 2.00 0.00 0.00 58.73 60.57 2qtr h TYR 16 Cb 0.49 0.00 -0.03 0.00 1.00 0.00 0.00 36.73 38.19 2qtr h TYR 16 CO 0.00 0.13 0.25 0.78 -0.00 0.00 0.00 178.16 179.32 2qtr h GLY 17 N 0.97 1.25 0.94 3.88 0.00 -1.91 0.25 103.07 108.45 2qtr h GLY 17 Ca -0.00 -0.73 -0.05 0.00 0.00 0.00 0.00 47.33 46.55 2qtr h GLY 17 CO 0.02 0.68 0.07 0.45 0.00 0.00 0.00 176.54 177.76 2qtr h HIS 18 N 1.12 0.72 -0.33 5.60 3.86 -1.84 -1.68 115.15 122.59 2qtr h HIS 18 Ca 0.24 -0.10 -0.08 0.00 -1.16 0.00 0.00 60.37 59.28 2qtr h HIS 18 Cb 0.29 -0.20 -0.01 0.00 1.06 0.00 0.00 27.41 28.56 2qtr h HIS 18 CO 0.02 0.70 -0.10 -0.07 0.86 0.00 0.00 177.93 179.34 2qtr h LEU 19 N 0.53 0.66 0.04 2.43 3.38 -1.38 -2.11 115.31 118.86 2qtr h LEU 19 Ca 0.12 -0.38 0.01 0.00 0.09 0.00 0.00 57.88 57.73 2qtr h LEU 19 Cb 0.37 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 2qtr h LEU 19 CO 0.01 0.89 -0.10 0.25 0.09 0.00 0.00 178.44 179.57 2qtr h LEU 20 N 0.43 -0.28 -1.11 1.67 5.85 -0.42 0.10 115.31 121.55 2qtr h LEU 20 Ca 0.08 0.04 -0.08 0.00 0.84 0.00 0.00 57.88 58.76 2qtr h LEU 20 Cb 0.61 0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.74 2qtr h LEU 20 CO 0.04 -0.15 -0.24 0.16 -0.34 0.00 0.00 178.44 177.91 2qtr h ILE 21 N -0.19 1.25 -0.35 4.05 3.07 -1.31 -0.17 117.51 123.86 2qtr h ILE 21 Ca 0.03 -1.15 -0.04 0.00 1.55 0.00 0.00 64.86 65.24 2qtr h ILE 21 Cb 0.22 1.36 -0.01 0.00 -0.27 0.00 0.00 36.82 38.12 2qtr h ILE 21 CO -0.07 0.36 0.05 0.00 -1.05 0.00 0.00 178.15 177.44 2qtr h ALA 22 N 1.45 0.46 -0.48 0.16 0.00 -1.03 -1.87 119.26 117.95 2qtr h ALA 22 Ca 0.05 -0.21 -0.12 0.00 0.00 0.00 0.00 54.91 54.64 2qtr h ALA 22 Cb 0.59 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 2qtr h ALA 22 CO 0.04 0.17 -0.16 -0.97 0.00 0.00 0.00 179.25 178.33 2qtr h ASN 23 N 0.41 0.97 -0.70 0.00 -1.24 -0.67 -1.09 115.58 113.28 2qtr h ASN 23 Ca 0.11 -0.38 -0.06 0.00 0.71 0.00 0.00 56.30 56.68 2qtr h ASN 23 Cb 0.36 -0.27 -0.03 0.00 0.73 0.00 0.00 38.32 39.11 2qtr h ASN 23 CO 0.01 1.13 0.21 -0.33 -1.29 0.00 0.00 177.43 177.16 2qtr h GLU 24 N 0.81 1.09 -0.17 6.67 4.39 -0.96 -2.15 114.58 124.27 2qtr h GLU 24 Ca 0.12 -0.24 -0.22 0.00 0.34 0.00 0.00 59.36 59.36 2qtr h GLU 24 Cb 0.72 -0.16 0.01 0.00 -0.10 0.00 0.00 28.75 29.23 2qtr h GLU 24 CO 0.06 0.94 -0.75 0.28 -1.16 0.00 0.00 179.01 178.38 2qtr h VAL 25 N 1.03 1.28 -0.33 3.13 2.07 -1.26 -0.66 116.25 121.52 2qtr h VAL 25 Ca 0.22 -1.94 0.07 0.00 0.82 0.00 0.00 66.70 65.87 2qtr h VAL 25 Cb 0.31 1.95 -0.07 0.00 -1.52 0.00 0.00 31.29 31.96 2qtr h VAL 25 CO -0.01 0.62 -0.15 0.22 0.02 0.00 0.00 177.57 178.27 2qtr h TYR 26 N 0.54 -0.37 -0.15 1.57 3.20 -1.02 -0.86 116.97 119.89 2qtr h TYR 26 Ca -0.05 0.04 -0.11 0.00 3.14 0.00 0.00 58.73 61.75 2qtr h TYR 26 Cb 1.38 0.21 0.00 0.00 1.54 0.00 0.00 36.73 39.86 2qtr h TYR 26 CO 0.09 -0.22 -0.32 0.45 -1.64 0.00 0.00 178.16 176.51 2qtr h HIS 27 N -0.10 0.61 -0.75 -3.82 3.86 -1.36 -0.93 115.15 112.65 2qtr h HIS 27 Ca 0.17 -0.23 -0.02 0.00 -1.16 0.00 0.00 60.37 59.13 2qtr h HIS 27 Cb 0.35 -0.11 -0.04 0.00 1.06 0.00 0.00 27.41 28.67 2qtr h HIS 27 CO -0.36 0.95 0.40 0.00 0.86 0.00 0.00 177.93 179.78 2qtr h ALA 28 N 0.55 0.97 -0.67 2.45 0.00 -0.92 -2.98 119.26 118.66 2qtr h ALA 28 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2qtr h ALA 28 Cb 0.92 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.41 2qtr h ALA 28 CO 0.07 0.49 0.00 1.28 0.00 0.00 0.00 179.25 181.09 2qtr n LEU 29 N -4.44 3.81 -3.85 0.00 4.77 -0.34 -4.98 117.00 111.96 2qtr n LEU 29 Ca 0.07 -1.98 -0.25 0.00 -0.03 0.00 0.00 56.01 53.82 2qtr n LEU 29 Cb 0.10 -0.45 0.00 0.00 -2.33 0.00 0.00 43.42 40.74 2qtr n LEU 29 CO 0.38 0.95 -0.17 -3.20 -1.33 0.00 0.00 177.39 174.02 2qtr n ASN 30 N 1.50 -1.01 -4.81 -1.43 4.05 -0.91 -4.95 115.26 107.70 2qtr n ASN 30 Ca 0.23 -0.95 -0.31 0.00 0.45 0.00 0.00 54.58 54.00 2qtr n ASN 30 Cb 0.60 -3.40 0.05 0.00 1.23 0.00 0.00 39.78 38.26 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 -6.83 3.14 0.09 1.20 1.43 -0.40 -4.89 118.68 112.42 2qtr s LEU 31 Ca 0.04 1.67 -0.02 0.00 -1.03 0.00 0.00 54.13 54.79 2qtr s LEU 31 Cb -0.02 -4.50 -0.25 0.00 0.03 0.00 0.00 46.19 41.46 2qtr s LEU 31 CO 0.86 -1.53 1.19 -0.08 0.23 0.00 0.00 176.35 177.01 2qtr h GLU 32 N -0.71 0.23 -1.76 1.70 4.81 -1.24 -3.48 114.58 114.14 2qtr h GLU 32 Ca -0.44 -0.38 0.28 0.00 -0.13 0.00 0.00 59.36 58.69 2qtr h GLU 32 Cb 1.21 0.14 -0.11 0.00 0.63 0.00 0.00 28.75 30.63 2qtr h GLU 32 CO 0.56 1.17 0.71 -1.83 -0.73 0.00 0.00 179.01 178.88 2qtr s GLU 33 N -2.73 0.67 -0.09 1.92 -1.05 -1.26 -4.99 118.70 111.17 2qtr s GLU 33 Ca -0.03 -0.37 0.01 0.00 -0.15 0.00 0.00 54.97 54.43 2qtr s GLU 33 Cb 0.08 0.23 0.02 0.00 -0.44 0.00 0.00 34.13 34.01 2qtr s GLU 33 CO 0.87 -0.31 -0.12 0.08 0.95 0.00 0.00 175.26 176.73 2qtr s VAL 34 N -2.72 1.19 -0.19 1.83 1.01 -0.12 -0.62 120.40 120.78 2qtr s VAL 34 Ca 0.14 -0.47 -0.11 0.00 0.00 0.00 0.00 61.98 61.54 2qtr s VAL 34 Cb 0.03 -1.12 -0.05 0.00 0.00 0.00 0.00 36.38 35.24 2qtr s VAL 34 CO -0.02 0.38 0.17 0.26 0.00 0.00 0.00 175.10 175.89 2qtr s TRP 35 N 1.03 3.42 -0.21 5.22 0.51 0.92 -1.79 118.94 128.03 2qtr s TRP 35 Ca -0.07 0.39 -0.18 0.00 -2.12 0.00 0.00 56.10 54.11 2qtr s TRP 35 Cb -0.15 -2.21 -0.03 0.00 -0.81 0.00 0.00 33.47 30.27 2qtr s TRP 35 CO -0.01 0.26 0.51 -0.06 -0.51 0.00 0.00 176.95 177.14 2qtr s PHE 36 N 0.44 3.35 -0.62 -1.98 0.40 0.11 -0.55 117.98 119.13 2qtr s PHE 36 Ca 0.10 0.74 -0.03 0.00 -0.60 0.00 0.00 56.93 57.13 2qtr s PHE 36 Cb -0.12 -2.67 0.16 0.00 0.51 0.00 0.00 43.02 40.90 2qtr s PHE 36 CO -0.00 -0.13 0.44 -1.17 0.70 0.00 0.00 175.22 175.05 2qtr s LEU 37 N 1.75 5.32 0.25 -0.37 2.96 -0.34 -1.14 118.68 127.12 2qtr s LEU 37 Ca 0.23 -2.77 -0.30 0.00 -0.22 0.00 0.00 54.13 51.07 2qtr s LEU 37 Cb -0.15 -1.87 -0.09 0.00 0.50 0.00 0.00 46.19 44.57 2qtr s LEU 37 CO 0.09 -0.40 1.07 -2.16 -1.32 0.00 0.00 176.35 173.63 2qtr s PRO 38 N 0.06 4.67 0.57 0.98 0.04 -1.26 -1.60 135.00 138.46 2qtr s PRO 38 Ca 0.16 1.72 -0.06 0.00 0.04 0.00 0.00 61.00 62.86 2qtr s PRO 38 Cb -0.20 -3.23 -0.01 0.00 0.04 0.00 0.00 34.50 31.10 2qtr s PRO 38 CO -0.04 0.24 0.89 0.54 0.04 0.00 0.00 177.00 178.68 2qtr s ASN 39 N -0.77 5.83 -0.12 6.66 6.03 -0.58 -4.36 114.94 127.64 2qtr s ASN 39 Ca 0.45 0.87 -0.05 0.00 -1.03 0.00 0.00 52.86 53.10 2qtr s ASN 39 Cb -0.30 -1.95 -0.03 0.00 -3.03 0.00 0.00 41.25 35.94 2qtr s ASN 39 CO 0.38 -0.92 0.02 -0.61 -2.03 0.00 0.00 177.10 173.94 2qtr h GLN 40 N -0.10 0.00 -4.06 3.55 5.75 -1.85 -3.46 115.11 114.94 2qtr h GLN 40 Ca -0.46 0.00 -0.48 0.00 -0.15 0.00 0.00 58.65 57.56 2qtr h GLN 40 Cb 1.23 0.00 -0.37 0.00 1.07 0.00 0.00 27.48 29.42 2qtr h GLN 40 CO 0.61 0.10 -0.79 0.42 -2.65 0.00 0.00 178.83 176.52 2qtr s ILE 41 N -1.78 0.77 0.11 2.39 1.01 -1.25 -4.94 121.20 117.51 2qtr s ILE 41 Ca -0.06 -0.15 -0.31 0.00 0.00 0.00 0.00 60.65 60.13 2qtr s ILE 41 Cb 0.00 -0.82 -0.09 0.00 0.01 0.00 0.00 42.46 41.57 2qtr s ILE 41 CO 0.12 0.31 1.55 -2.84 0.00 0.00 0.00 174.94 174.09 2qtr s PRO 42 N 1.61 4.23 0.41 2.79 0.02 -1.26 -0.45 135.00 142.35 2qtr s PRO 42 Ca 0.01 2.27 0.18 0.00 0.02 0.00 0.00 61.00 63.49 2qtr s PRO 42 Cb -0.13 -3.37 1.10 0.00 0.02 0.00 0.00 34.50 32.13 2qtr s PRO 42 CO -0.05 -0.62 1.82 -1.35 -0.33 0.00 0.00 177.00 176.46 2qtr h PRO 43 N 7.44 0.38 -0.19 5.54 0.11 -1.91 -1.20 132.00 142.17 2qtr h PRO 43 Ca -0.42 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.67 2qtr h PRO 43 Cb 1.20 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.23 2qtr h PRO 43 CO 0.91 0.25 0.00 -2.39 -0.21 0.00 0.00 178.00 176.56 2qtr n HIS 44 N -4.55 0.23 -2.41 0.65 1.44 -1.26 -4.21 115.22 105.12 2qtr n HIS 44 Ca 0.22 -0.12 -0.11 0.00 -2.01 0.00 0.00 57.72 55.71 2qtr n HIS 44 Cb 0.79 0.00 0.04 0.00 0.12 0.00 0.00 29.99 30.94 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 0.94 2.56 0.23 -1.40 5.02 -0.46 -4.87 118.16 120.19 2qtr n LYS 45 Ca 0.17 -3.77 0.16 0.00 -2.02 0.00 0.00 58.31 52.86 2qtr n LYS 45 Cb 0.49 -1.88 0.75 0.00 -0.02 0.00 0.00 35.03 34.38 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 2.31 0.00 -0.50 1.97 4.20 -1.71 -2.09 115.11 119.29 2qtr h GLN 46 Ca 0.10 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.81 2qtr h GLN 46 Cb 1.41 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.19 2qtr h GLN 46 CO 0.44 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 179.01 2qtr n GLY 47 N -0.53 2.22 3.85 3.46 0.00 -1.26 -4.98 105.19 107.95 2qtr n GLY 47 Ca -0.00 -0.64 -0.34 0.00 0.00 0.00 0.00 46.02 45.04 2qtr n GLY 47 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qtr s ARG 48 N -1.11 3.93 -0.68 1.61 1.81 -0.79 -5.03 118.95 118.69 2qtr s ARG 48 Ca 0.37 0.44 -0.24 0.00 -1.72 0.00 0.00 55.73 54.58 2qtr s ARG 48 Cb 0.20 -2.79 0.05 0.00 -0.45 0.00 0.00 34.95 31.97 2qtr s ARG 48 CO 0.27 0.39 1.09 -0.80 -0.68 0.00 0.00 175.30 175.57 2qtr s ASN 49 N -1.99 6.18 0.01 0.23 0.01 -1.26 -5.01 114.94 113.11 2qtr s ASN 49 Ca 0.43 -0.72 -0.01 0.00 -0.71 0.00 0.00 52.86 51.84 2qtr s ASN 49 Cb -0.13 -2.48 -0.04 0.00 0.41 0.00 0.00 41.25 39.01 2qtr s ASN 49 CO 0.20 -1.59 0.17 -0.63 -1.51 0.00 0.00 177.10 173.74 2qtr s ILE 50 N 4.72 5.28 0.58 0.60 1.01 -1.26 -5.07 121.20 127.06 2qtr s ILE 50 Ca 0.28 -0.28 -0.20 0.00 0.00 0.00 0.00 60.65 60.45 2qtr s ILE 50 Cb -0.13 -3.49 -0.03 0.00 0.01 0.00 0.00 42.46 38.82 2qtr s ILE 50 CO 0.13 0.28 1.34 -0.89 0.00 0.00 0.00 174.94 175.80 2qtr s THR 51 N -1.35 2.02 0.76 2.92 2.01 -1.26 -4.93 115.64 115.82 2qtr s THR 51 Ca 0.28 0.02 -0.15 0.00 0.31 0.00 0.00 61.69 62.15 2qtr s THR 51 Cb -0.13 -3.01 0.02 0.00 0.01 0.00 0.00 72.50 69.40 2qtr s THR 51 CO 0.20 -0.00 0.94 -1.54 -0.69 0.00 0.00 174.62 173.54 2qtr n SER 52 N -1.35 0.27 -0.19 3.53 3.41 -1.26 -4.73 113.62 113.30 2qtr n SER 52 Ca 0.12 0.61 -0.02 0.00 -0.26 0.00 0.00 58.87 59.33 2qtr n SER 52 Cb 0.46 -1.40 0.08 0.00 -0.26 0.00 0.00 64.21 63.09 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 -0.54 0.85 -0.28 -3.33 2.07 -1.92 -0.84 116.25 112.27 2qtr h VAL 53 Ca -0.47 -0.15 0.05 0.00 0.82 0.00 0.00 66.70 66.95 2qtr h VAL 53 Cb 1.32 0.37 -0.05 0.00 -1.52 0.00 0.00 31.29 31.41 2qtr h VAL 53 CO 0.45 0.08 -0.04 -0.08 0.02 0.00 0.00 177.57 178.01 2qtr h GLU 54 N 0.45 0.04 -0.11 1.57 4.81 -1.99 0.35 114.58 119.70 2qtr h GLU 54 Ca 0.27 -0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 59.34 2qtr h GLU 54 Cb 0.27 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.63 2qtr h GLU 54 CO -0.24 0.03 -0.62 0.77 -0.73 0.00 0.00 179.01 178.21 2qtr h SER 55 N 0.04 0.44 -0.47 1.04 0.02 -1.81 -1.91 113.55 110.90 2qtr h SER 55 Ca 0.13 -0.25 -0.11 0.00 -0.84 0.00 0.00 61.79 60.72 2qtr h SER 55 Cb 0.19 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.59 2qtr h SER 55 CO -0.26 0.95 -0.14 0.03 -1.14 0.00 0.00 176.83 176.27 2qtr h ARG 56 N 0.28 0.92 -0.67 3.45 3.08 -0.81 -1.23 114.38 119.40 2qtr h ARG 56 Ca -0.01 -0.37 -0.02 0.00 0.07 0.00 0.00 59.98 59.66 2qtr h ARG 56 Cb 1.16 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 31.13 2qtr h ARG 56 CO 0.11 1.02 0.34 1.25 -1.07 0.00 0.00 179.97 181.62 2qtr h LEU 57 N 0.77 0.87 -0.52 3.04 6.46 -0.88 0.13 115.31 125.17 2qtr h LEU 57 Ca 0.12 -0.12 -0.01 0.00 -0.12 0.00 0.00 57.88 57.75 2qtr h LEU 57 Cb 0.70 -0.22 -0.03 0.00 -0.73 0.00 0.00 40.66 40.38 2qtr h LEU 57 CO 0.05 0.74 0.31 1.56 -0.62 0.00 0.00 178.44 180.47 2qtr h GLN 58 N 0.93 0.72 -0.67 1.25 4.20 -1.10 -0.13 115.11 120.31 2qtr h GLN 58 Ca 0.23 -0.07 -0.08 0.00 0.06 0.00 0.00 58.65 58.79 2qtr h GLN 58 Cb 0.08 -0.15 -0.03 0.00 0.30 0.00 0.00 27.48 27.69 2qtr h GLN 58 CO -0.03 0.53 0.11 0.52 -0.67 0.00 0.00 178.83 179.29 2qtr h MET 59 N 0.70 1.11 -0.67 1.46 2.86 -0.93 -1.93 114.93 117.52 2qtr h MET 59 Ca 0.19 -0.29 -0.07 0.00 -2.06 0.00 0.00 59.70 57.46 2qtr h MET 59 Cb 0.01 -0.13 -0.03 0.00 0.06 0.00 0.00 31.60 31.51 2qtr h MET 59 CO -0.03 1.01 0.13 1.25 1.06 0.00 0.00 176.91 180.33 2qtr h LEU 60 N 1.03 1.03 -0.40 1.22 5.85 -0.32 0.61 115.31 124.34 2qtr h LEU 60 Ca 0.20 -0.23 -0.01 0.00 0.84 0.00 0.00 57.88 58.68 2qtr h LEU 60 Cb 0.44 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 2qtr h LEU 60 CO 0.01 1.01 0.20 -0.33 -0.34 0.00 0.00 178.44 178.99 2qtr h GLU 61 N 1.02 0.57 -0.81 1.25 4.39 -0.86 -1.99 114.58 118.15 2qtr h GLU 61 Ca 0.21 -0.08 -0.01 0.00 0.34 0.00 0.00 59.36 59.81 2qtr h GLU 61 Cb 0.41 -0.10 -0.04 0.00 -0.10 0.00 0.00 28.75 28.91 2qtr h GLU 61 CO 0.01 0.49 0.45 -0.07 -1.16 0.00 0.00 179.01 178.74 2qtr h LEU 62 N 0.51 1.01 -1.29 1.33 3.38 -0.87 -0.71 115.31 118.66 2qtr h LEU 62 Ca 0.14 -0.09 -0.07 0.00 0.09 0.00 0.00 57.88 57.94 2qtr h LEU 62 Cb 0.11 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 2qtr h LEU 62 CO -0.02 0.81 -0.34 0.00 0.09 0.00 0.00 178.44 178.98 2qtr h ALA 63 N 1.24 1.29 -0.02 1.53 0.00 -0.64 -3.22 119.26 119.44 2qtr h ALA 63 Ca 0.29 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2qtr h ALA 63 Cb 0.02 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2qtr h ALA 63 CO -0.05 0.43 -0.01 0.25 0.00 0.00 0.00 179.25 179.87 2qtr n THR 64 N -3.92 0.00 -0.27 0.00 -2.24 -0.77 -4.77 114.28 102.31 2qtr n THR 64 Ca -0.02 -0.50 -0.02 0.00 -2.27 0.00 0.00 64.05 61.25 2qtr n THR 64 Cb 0.40 1.27 0.04 0.00 -2.10 0.00 0.00 70.33 69.95 2qtr n THR 64 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 2qtr h GLU 65 N 2.53 -0.07 -0.01 -0.78 4.81 -1.14 -1.71 114.58 118.20 2qtr h GLU 65 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2qtr h GLU 65 Cb 0.54 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.94 2qtr h GLU 65 CO 0.00 -0.05 0.00 0.00 -0.73 0.00 0.00 179.01 178.23 2qtr n ALA 66 N -3.27 2.62 -2.86 2.92 0.00 -1.26 -4.78 120.51 113.88 2qtr n ALA 66 Ca 0.08 -0.34 -0.44 0.00 0.00 0.00 0.00 53.44 52.74 2qtr n ALA 66 Cb 0.38 -1.31 -0.06 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 -1.99 3.09 0.56 0.00 0.41 -0.64 -4.93 118.70 115.20 2qtr s GLU 67 Ca 0.42 -1.04 0.25 0.00 -0.41 0.00 0.00 54.97 54.19 2qtr s GLU 67 Cb 0.21 -4.14 1.58 0.00 -1.78 0.00 0.00 34.13 30.00 2qtr s GLU 67 CO 0.34 -1.27 2.15 1.49 -0.49 0.00 0.00 175.26 177.49 2qtr h GLU 68 N 9.01 0.00 -0.02 1.61 4.57 -1.86 -2.09 114.58 125.80 2qtr h GLU 68 Ca -0.28 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.90 2qtr h GLU 68 Cb 1.09 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.68 2qtr h GLU 68 CO 0.99 0.00 -0.01 0.72 -1.18 0.00 0.00 179.01 179.52 2qtr n HIS 69 N -4.08 0.00 -4.44 0.92 8.25 -1.26 -4.90 115.22 109.71 2qtr n HIS 69 Ca -0.00 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.14 2qtr n HIS 69 Cb 0.21 -0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.21 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 -2.02 2.87 0.29 4.41 2.99 -0.79 -0.95 117.98 124.78 2qtr s PHE 70 Ca 0.33 -0.06 -0.09 0.00 0.00 0.00 0.00 56.93 57.11 2qtr s PHE 70 Cb 0.20 -1.59 0.00 0.00 0.00 0.00 0.00 43.02 41.64 2qtr s PHE 70 CO 0.33 0.37 0.48 -1.54 -0.00 0.00 0.00 175.22 174.86 2qtr s SER 71 N -1.50 0.26 -0.08 1.36 1.04 -0.74 -4.89 113.70 109.14 2qtr s SER 71 Ca 0.18 -1.15 0.02 0.00 0.48 0.00 0.00 55.95 55.48 2qtr s SER 71 Cb -0.11 0.62 -0.02 0.00 0.10 0.00 0.00 66.02 66.61 2qtr s SER 71 CO 0.08 -1.22 -0.15 -0.63 0.98 0.00 0.00 173.24 172.30 2qtr s ILE 72 N -3.58 2.95 -0.23 -1.02 1.01 -1.26 0.05 121.20 119.12 2qtr s ILE 72 Ca 0.25 -0.74 -0.05 0.00 0.00 0.00 0.00 60.65 60.12 2qtr s ILE 72 Cb -0.00 -2.18 -0.01 0.00 0.01 0.00 0.00 42.46 40.27 2qtr s ILE 72 CO 0.13 0.56 -0.01 0.00 0.00 0.00 0.00 174.94 175.62 2qtr n LEU 74 N 4.83 5.05 -0.35 0.00 4.32 -1.26 -4.09 117.00 125.50 2qtr n LEU 74 Ca -0.18 -2.56 0.13 0.00 -0.02 0.00 0.00 56.01 53.38 2qtr n LEU 74 Cb 0.51 -0.66 0.31 0.00 -1.62 0.00 0.00 43.42 41.96 2qtr n LEU 74 CO 0.29 0.57 1.19 -0.08 -1.22 0.00 0.00 177.39 178.14 2qtr h GLU 75 N 3.42 0.73 0.00 3.23 4.57 -1.94 -1.90 114.58 122.69 2qtr h GLU 75 Ca 0.00 -0.04 -0.07 0.00 -1.18 0.00 0.00 59.36 58.07 2qtr h GLU 75 Cb 1.77 -0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 30.18 2qtr h GLU 75 CO 0.42 0.48 -0.47 0.93 -1.18 0.00 0.00 179.01 179.20 2qtr h GLU 76 N 0.75 0.00 0.00 1.92 5.08 -1.82 -3.00 114.58 117.52 2qtr h GLU 76 Ca 0.57 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.93 2qtr h GLU 76 Cb 0.88 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.13 2qtr h GLU 76 CO -0.38 0.27 0.00 1.28 -1.00 0.00 0.00 179.01 179.18 2qtr n LEU 77 N -3.11 0.56 -0.08 1.33 4.77 -0.73 -2.48 117.00 117.26 2qtr n LEU 77 Ca 0.01 0.61 0.14 0.00 -0.03 0.00 0.00 56.01 56.74 2qtr n LEU 77 Cb 0.66 -0.49 0.68 0.00 -2.33 0.00 0.00 43.42 41.94 2qtr n LEU 77 CO 0.39 -0.37 0.93 -1.20 -1.33 0.00 0.00 177.39 175.81 2qtr n SER 78 N -2.08 0.32 -4.01 -1.43 7.64 -1.11 -4.83 113.62 108.11 2qtr n SER 78 Ca 0.04 -0.51 -0.14 0.00 1.01 0.00 0.00 58.87 59.27 2qtr n SER 78 Cb 0.28 -0.12 -0.12 0.00 -1.01 0.00 0.00 64.21 63.24 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 -2.45 0.45 0.63 1.43 1.70 -1.04 -5.13 118.95 114.54 2qtr s ARG 79 Ca 0.31 -0.52 -0.08 0.00 -0.47 0.00 0.00 55.73 54.97 2qtr s ARG 79 Cb 0.20 -0.28 0.01 0.00 -0.57 0.00 0.00 34.95 34.31 2qtr s ARG 79 CO 0.46 0.06 0.96 0.15 -1.08 0.00 0.00 175.30 175.85 2qtr s LYS 80 N -1.02 2.89 0.30 3.89 3.01 -1.26 -4.84 119.74 122.70 2qtr s LYS 80 Ca -0.06 0.13 0.00 0.00 -1.01 0.00 0.00 55.97 55.03 2qtr s LYS 80 Cb -0.07 -2.19 0.00 0.00 -1.01 0.00 0.00 37.83 34.56 2qtr s LYS 80 CO 0.00 -0.81 0.00 0.41 0.51 0.00 0.00 175.35 175.46 2qtr n GLY 81 N -2.72 -2.29 3.66 -3.33 0.00 -1.26 -4.88 105.19 94.37 2qtr n GLY 81 Ca 0.05 -1.54 -0.47 0.00 0.00 0.00 0.00 46.02 44.07 2qtr n GLY 81 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2qtr n PRO 82 N -0.65 2.00 -2.90 1.61 -0.04 -1.26 -3.74 135.00 130.03 2qtr n PRO 82 Ca 0.00 0.72 -0.44 0.00 -0.04 0.00 0.00 63.50 63.75 2qtr n PRO 82 Cb 0.00 -2.48 -0.00 0.00 -0.04 0.00 0.00 33.50 30.98 2qtr n PRO 82 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2qtr s SER 83 N 1.07 6.97 0.03 3.54 0.01 0.40 -4.91 113.70 120.81 2qtr s SER 83 Ca 0.81 -2.77 -0.30 0.00 1.31 0.00 0.00 55.95 54.99 2qtr s SER 83 Cb -0.72 -2.42 -0.06 0.00 0.21 0.00 0.00 66.02 63.03 2qtr s SER 83 CO 0.40 -0.85 1.33 -0.31 0.41 0.00 0.00 173.24 174.22 2qtr s TYR 84 N 2.09 3.10 0.45 2.43 1.51 -1.26 -4.46 117.35 121.20 2qtr s TYR 84 Ca 0.43 1.00 0.12 0.00 -1.01 0.00 0.00 57.07 57.60 2qtr s TYR 84 Cb -0.02 -3.58 1.03 0.00 -0.11 0.00 0.00 41.96 39.27 2qtr s TYR 84 CO -0.01 -2.04 2.07 1.15 -1.11 0.00 0.00 175.55 175.61 2qtr h THR 85 N 4.71 1.02 -0.46 -0.71 2.02 -1.94 -2.40 112.91 115.16 2qtr h THR 85 Ca -0.39 -0.12 0.02 0.00 0.77 0.00 0.00 66.41 66.69 2qtr h THR 85 Cb 1.19 0.64 -0.03 0.00 -1.74 0.00 0.00 68.15 68.21 2qtr h THR 85 CO 0.87 0.06 0.27 0.22 0.37 0.00 0.00 175.52 177.32 2qtr h TYR 86 N 0.35 0.50 -0.68 3.16 3.20 -1.91 0.63 116.97 122.23 2qtr h TYR 86 Ca 0.14 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.96 2qtr h TYR 86 Cb 0.11 -0.16 -0.03 0.00 1.54 0.00 0.00 36.73 38.19 2qtr h TYR 86 CO -0.00 0.29 0.17 -0.44 -1.64 0.00 0.00 178.16 176.54 2qtr h ASP 87 N 0.54 1.01 -0.30 -2.11 3.45 -1.83 -1.11 116.42 116.07 2qtr h ASP 87 Ca 0.18 -0.20 -0.04 0.00 0.43 0.00 0.00 57.03 57.40 2qtr h ASP 87 Cb 0.02 -0.26 -0.01 0.00 -0.56 0.00 0.00 39.33 38.51 2qtr h ASP 87 CO -0.09 0.96 0.03 0.74 -1.57 0.00 0.00 179.24 179.31 2qtr h THR 88 N 1.02 1.25 0.00 0.35 2.02 -1.19 -2.82 112.91 113.54 2qtr h THR 88 Ca 0.22 -0.87 -0.07 0.00 0.77 0.00 0.00 66.41 66.45 2qtr h THR 88 Cb 0.34 1.22 -0.01 0.00 -1.74 0.00 0.00 68.15 67.97 2qtr h THR 88 CO -0.00 0.28 -0.35 0.24 0.37 0.00 0.00 175.52 176.07 2qtr h MET 89 N 0.33 0.00 -0.37 6.66 2.86 -0.71 0.13 114.93 123.82 2qtr h MET 89 Ca 0.09 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.72 2qtr h MET 89 Cb 0.39 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.03 2qtr h MET 89 CO 0.01 0.35 0.19 -0.07 1.06 0.00 0.00 176.91 178.44 2qtr h LEU 90 N 0.00 0.47 -0.23 1.22 3.38 -1.11 -0.57 115.31 118.47 2qtr h LEU 90 Ca -0.00 -0.11 -0.05 0.00 0.09 0.00 0.00 57.88 57.81 2qtr h LEU 90 Cb 0.90 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.53 2qtr h LEU 90 CO 0.05 0.45 -0.05 1.56 0.09 0.00 0.00 178.44 180.53 2qtr h GLN 91 N 0.46 0.44 -0.26 1.13 1.08 -1.17 -2.87 115.11 113.91 2qtr h GLN 91 Ca 0.13 -0.17 -0.10 0.00 -1.45 0.00 0.00 58.65 57.06 2qtr h GLN 91 Cb 0.09 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.48 2qtr h GLN 91 CO -0.02 0.67 -0.27 -0.07 -0.95 0.00 0.00 178.83 178.20 2qtr h LEU 92 N 0.17 0.53 -0.61 1.46 3.38 -0.90 -1.16 115.31 118.18 2qtr h LEU 92 Ca 0.06 -0.19 -0.13 0.00 0.09 0.00 0.00 57.88 57.71 2qtr h LEU 92 Cb 0.51 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 2qtr h LEU 92 CO 0.02 0.78 -0.29 0.71 0.09 0.00 0.00 178.44 179.75 2qtr h THR 93 N 0.45 1.28 -0.33 0.22 1.35 -1.13 -0.18 112.91 114.57 2qtr h THR 93 Ca 0.06 -1.43 -0.10 0.00 -0.55 0.00 0.00 66.41 64.39 2qtr h THR 93 Cb 0.70 1.30 -0.01 0.00 -1.73 0.00 0.00 68.15 68.42 2qtr h THR 93 CO 0.05 0.48 -0.19 0.11 -0.25 0.00 0.00 175.52 175.72 2qtr h LYS 94 N 0.67 0.71 0.00 4.72 1.57 -1.32 -3.01 116.57 119.91 2qtr h LYS 94 Ca 0.08 -0.33 -0.08 0.00 -1.87 0.00 0.00 60.65 58.45 2qtr h LYS 94 Cb 0.83 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.11 2qtr h LYS 94 CO 0.07 0.93 -0.37 -0.22 -0.57 0.00 0.00 179.45 179.29 2qtr h LYS 95 N 0.48 0.00 -2.51 3.15 3.64 -1.08 -3.33 116.57 116.92 2qtr h LYS 95 Ca 0.07 0.00 -0.60 0.00 -1.27 0.00 0.00 60.65 58.85 2qtr h LYS 95 Cb 0.74 0.00 -0.40 0.00 -0.41 0.00 0.00 32.23 32.16 2qtr h LYS 95 CO 0.06 0.37 -0.81 0.66 -2.27 0.00 0.00 179.45 177.46 2qtr n TYR 96 N -3.95 1.25 0.30 1.91 4.02 -0.09 -4.98 117.16 115.62 2qtr n TYR 96 Ca -0.02 -3.81 0.16 0.00 -0.01 0.00 0.00 57.90 54.22 2qtr n TYR 96 Cb 0.42 -0.26 0.74 0.00 -0.02 0.00 0.00 39.34 40.23 2qtr n TYR 96 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 176.86 174.50 2qtr h PRO 97 N 5.06 0.00 -0.88 -0.72 0.11 -1.65 -3.05 132.00 130.86 2qtr h PRO 97 Ca 0.19 0.00 -0.38 0.00 0.11 0.00 0.00 66.00 65.92 2qtr h PRO 97 Cb 0.81 0.00 -0.22 0.00 0.11 0.00 0.00 31.00 31.70 2qtr h PRO 97 CO 0.57 0.00 0.47 -0.40 -0.21 0.00 0.00 178.00 178.44 2qtr n ASP 98 N -2.70 4.28 -4.21 -2.05 5.75 -1.26 -4.94 116.55 111.41 2qtr n ASP 98 Ca -0.00 -3.43 -0.27 0.00 -0.01 0.00 0.00 54.79 51.08 2qtr n ASP 98 Cb 0.18 -0.80 -0.16 0.00 -1.03 0.00 0.00 41.12 39.32 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 -3.16 1.60 -0.34 2.12 1.01 -1.16 -3.83 120.40 116.65 2qtr s VAL 99 Ca 0.56 -0.86 -0.10 0.00 0.00 0.00 0.00 61.98 61.58 2qtr s VAL 99 Cb 0.46 -1.34 0.01 0.00 0.00 0.00 0.00 36.38 35.52 2qtr s VAL 99 CO 0.12 0.45 0.17 -1.58 0.00 0.00 0.00 175.10 174.27 2qtr s GLN 100 N -0.43 3.05 0.01 2.72 2.00 -0.96 -4.99 119.66 121.06 2qtr s GLN 100 Ca 0.07 -0.92 -0.27 0.00 -2.00 0.00 0.00 55.36 52.24 2qtr s GLN 100 Cb -0.08 -3.63 -0.04 0.00 0.80 0.00 0.00 33.01 30.05 2qtr s GLN 100 CO -0.00 -0.56 0.85 -0.06 -0.50 0.00 0.00 175.29 175.01 2qtr s PHE 101 N 1.57 3.68 -0.38 1.67 0.40 -1.26 -2.25 117.98 121.42 2qtr s PHE 101 Ca 0.03 1.54 -0.05 0.00 -0.60 0.00 0.00 56.93 57.85 2qtr s PHE 101 Cb -0.18 -2.95 0.08 0.00 0.51 0.00 0.00 43.02 40.48 2qtr s PHE 101 CO 0.06 0.12 0.16 -1.01 0.70 0.00 0.00 175.22 175.25 2qtr s HIS 102 N 0.51 3.39 -0.41 0.36 3.76 0.01 -1.09 115.29 121.82 2qtr s HIS 102 Ca 0.44 -1.89 -0.21 0.00 -0.15 0.00 0.00 55.06 53.25 2qtr s HIS 102 Cb -0.20 -2.75 0.02 0.00 1.11 0.00 0.00 32.58 30.75 2qtr s HIS 102 CO 0.24 -0.86 0.69 0.12 -0.85 0.00 0.00 174.74 174.08 2qtr s PHE 103 N 1.29 3.07 -0.14 1.40 5.36 -0.21 -1.00 117.98 127.75 2qtr s PHE 103 Ca 0.02 0.17 -0.27 0.00 -0.96 0.00 0.00 56.93 55.89 2qtr s PHE 103 Cb -0.22 -3.38 -0.01 0.00 -0.34 0.00 0.00 43.02 39.07 2qtr s PHE 103 CO -0.01 -0.82 0.90 0.42 -1.46 0.00 0.00 175.22 174.25 2qtr s ILE 104 N 2.94 4.85 0.00 3.12 1.01 -0.24 -0.45 121.20 132.44 2qtr s ILE 104 Ca 0.26 1.80 0.01 0.00 0.00 0.00 0.00 60.65 62.72 2qtr s ILE 104 Cb -0.14 -4.21 -0.01 0.00 0.01 0.00 0.00 42.46 38.12 2qtr s ILE 104 CO 0.19 0.03 -0.04 0.27 0.00 0.00 0.00 174.94 175.38 2qtr s ILE 105 N 2.01 0.33 0.80 2.92 -4.36 -0.29 -4.28 121.20 118.34 2qtr s ILE 105 Ca 0.43 -0.31 -0.11 0.00 -0.26 0.00 0.00 60.65 60.40 2qtr s ILE 105 Cb -0.17 -0.31 0.10 0.00 1.25 0.00 0.00 42.46 43.33 2qtr s ILE 105 CO 0.15 0.01 1.15 -0.83 0.24 0.00 0.00 174.94 175.66 2qtr s GLY 106 N -0.33 1.66 0.37 6.27 0.00 -1.26 -1.49 107.32 112.54 2qtr s GLY 106 Ca -0.01 -0.87 0.12 0.00 0.00 0.00 0.00 44.72 43.96 2qtr s GLY 106 CO -0.00 -0.35 1.85 -1.33 0.00 0.00 0.00 173.10 173.26 2qtr h GLY 107 N -1.02 1.17 1.65 0.20 0.00 -0.89 0.32 103.07 104.50 2qtr h GLY 107 Ca -0.45 -0.27 -0.07 0.00 0.00 0.00 0.00 47.33 46.55 2qtr h GLY 107 CO 0.58 0.03 -0.14 1.29 0.00 0.00 0.00 176.54 178.30 2qtr h ASP 108 N 0.59 0.41 0.83 0.19 -0.00 -1.89 -2.08 116.42 114.47 2qtr h ASP 108 Ca 0.48 -0.10 -0.20 0.00 -0.00 0.00 0.00 57.03 57.21 2qtr h ASP 108 Cb 0.93 -0.11 -0.02 0.00 -0.00 0.00 0.00 39.33 40.13 2qtr h ASP 108 CO -0.22 0.58 -0.92 0.24 -0.00 0.00 0.00 179.24 178.92 2qtr h MET 109 N 0.39 0.05 -0.59 4.15 2.86 -1.33 -3.02 114.93 117.45 2qtr h MET 109 Ca 0.07 -0.07 0.02 0.00 -2.06 0.00 0.00 59.70 57.67 2qtr h MET 109 Cb 0.49 0.02 -0.04 0.00 0.06 0.00 0.00 31.60 32.13 2qtr h MET 109 CO 0.03 0.93 0.37 0.28 1.06 0.00 0.00 176.91 179.58 2qtr h VAL 110 N 0.02 1.09 -0.17 -2.22 2.07 -0.90 -1.61 116.25 114.55 2qtr h VAL 110 Ca -0.02 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.25 2qtr h VAL 110 Cb 1.61 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 31.66 2qtr h VAL 110 CO 0.13 0.13 0.11 -0.33 0.02 0.00 0.00 177.57 177.63 2qtr h GLU 111 N 0.73 0.21 0.00 1.57 5.08 -1.36 -2.55 114.58 118.27 2qtr h GLU 111 Ca 0.23 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 2qtr h GLU 111 Cb -0.01 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.19 2qtr h GLU 111 CO -0.08 0.14 -0.37 0.98 -1.00 0.00 0.00 179.01 178.68 2qtr n TYR 112 N -4.51 0.02 -0.33 4.33 4.19 -0.68 -4.45 117.16 115.72 2qtr n TYR 112 Ca -0.00 0.01 0.26 0.00 3.31 0.00 0.00 57.90 61.47 2qtr n TYR 112 Cb 0.08 -0.33 0.50 0.00 0.49 0.00 0.00 39.34 40.08 2qtr n TYR 112 CO 0.00 0.00 0.00 -0.07 0.91 0.00 0.00 176.86 177.70 2qtr h LEU 113 N 0.00 0.48 -2.70 2.98 3.38 -0.91 0.35 115.31 118.88 2qtr h LEU 113 Ca 0.00 0.20 0.01 0.00 0.09 0.00 0.00 57.88 58.18 2qtr h LEU 113 Cb 0.51 0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.42 2qtr h LEU 113 CO 0.00 -0.20 0.06 -0.65 0.09 0.00 0.00 178.44 177.74 2qtr h PRO 114 N 0.26 0.00 -0.01 1.13 0.11 -1.83 -1.41 132.00 130.24 2qtr h PRO 114 Ca 0.76 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.87 2qtr h PRO 114 Cb 1.80 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.91 2qtr h PRO 114 CO -0.64 0.00 -0.37 1.63 -0.21 0.00 0.00 178.00 178.42 2qtr n LYS 115 N -3.27 1.01 -2.31 1.05 4.76 0.12 -4.93 118.16 114.59 2qtr n LYS 115 Ca -0.02 -0.73 -0.41 0.00 -2.87 0.00 0.00 58.31 54.28 2qtr n LYS 115 Cb 0.14 -1.48 -0.03 0.00 -1.84 0.00 0.00 35.03 31.81 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 -2.49 3.34 0.21 2.13 0.52 -0.53 -4.94 118.94 117.17 2qtr s TRP 116 Ca 0.22 1.54 -0.32 0.00 0.02 0.00 0.00 56.10 57.56 2qtr s TRP 116 Cb 0.19 -3.47 -0.12 0.00 -1.15 0.00 0.00 33.47 28.91 2qtr s TRP 116 CO 0.55 -1.18 1.66 0.98 0.02 0.00 0.00 176.95 178.98 2qtr n TYR 117 N 1.21 2.63 -3.48 -1.98 4.19 -1.26 -2.30 117.16 116.17 2qtr n TYR 117 Ca 0.00 0.13 -0.25 0.00 3.31 0.00 0.00 57.90 61.09 2qtr n TYR 117 Cb 0.43 -2.63 0.01 0.00 0.49 0.00 0.00 39.34 37.65 2qtr n TYR 117 CO 0.00 0.00 0.00 0.09 0.91 0.00 0.00 176.86 177.86 2qtr n ASN 118 N 3.58 -4.49 -0.32 2.98 4.13 -1.26 -4.62 115.26 115.26 2qtr n ASN 118 Ca 0.15 -0.50 0.07 0.00 1.68 0.00 0.00 54.58 55.99 2qtr n ASN 118 Cb 0.33 -3.65 0.24 0.00 -1.54 0.00 0.00 39.78 35.16 2qtr n ASN 118 CO 0.00 0.00 0.00 -0.29 0.28 0.00 0.00 177.26 177.25 2qtr h ILE 119 N -1.38 0.80 -0.35 2.41 6.09 -1.78 -0.08 117.51 123.22 2qtr h ILE 119 Ca -0.50 -0.26 0.04 0.00 -1.37 0.00 0.00 64.86 62.77 2qtr h ILE 119 Cb 1.33 -0.03 -0.04 0.00 0.47 0.00 0.00 36.82 38.56 2qtr h ILE 119 CO 0.59 0.14 0.13 -0.33 -3.07 0.00 0.00 178.15 175.60 2qtr h GLU 120 N 0.76 0.27 -0.15 2.19 4.39 -1.88 -1.68 114.58 118.48 2qtr h GLU 120 Ca 0.48 -0.02 -0.17 0.00 0.34 0.00 0.00 59.36 60.00 2qtr h GLU 120 Cb 0.61 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.20 2qtr h GLU 120 CO -0.33 0.18 -0.60 0.00 -1.16 0.00 0.00 179.01 177.10 2qtr h ALA 121 N 1.22 0.67 -0.54 3.43 0.00 -1.74 -3.07 119.26 119.23 2qtr h ALA 121 Ca 0.16 -0.54 0.02 0.00 0.00 0.00 0.00 54.91 54.55 2qtr h ALA 121 Cb 0.12 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 2qtr h ALA 121 CO -0.16 0.71 0.36 1.25 0.00 0.00 0.00 179.25 181.41 2qtr h LEU 122 N 0.38 0.58 -2.51 0.00 5.85 -0.70 -2.08 115.31 116.83 2qtr h LEU 122 Ca -0.00 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.71 2qtr h LEU 122 Cb 1.15 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 42.04 2qtr h LEU 122 CO 0.11 0.41 0.02 -0.07 -0.34 0.00 0.00 178.44 178.57 2qtr h LEU 123 N 0.68 0.00 -0.32 2.25 3.38 -1.21 -0.37 115.31 119.72 2qtr h LEU 123 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 2qtr h LEU 123 Cb -0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2qtr h LEU 123 CO -0.05 0.00 0.00 0.44 0.09 0.00 0.00 178.44 178.92 2qtr h ASP 124 N 0.00 0.00 0.00 -0.43 3.32 -1.51 -3.31 116.42 114.49 2qtr h ASP 124 Ca 0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.06 2qtr h ASP 124 Cb 0.05 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.60 2qtr h ASP 124 CO -0.00 0.00 -1.59 0.18 -1.72 0.00 0.00 179.24 176.11 2qtr n LEU 125 N -2.60 0.37 -4.00 1.55 4.77 -0.16 -5.01 117.00 111.93 2qtr n LEU 125 Ca 0.04 -0.19 -0.09 0.00 -0.03 0.00 0.00 56.01 55.74 2qtr n LEU 125 Cb 0.41 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.41 2qtr n LEU 125 CO 0.29 0.09 -0.15 0.68 -1.33 0.00 0.00 177.39 176.98 2qtr s VAL 126 N -3.28 0.11 -0.31 4.08 -7.23 -1.12 -4.58 120.40 108.07 2qtr s VAL 126 Ca -0.02 -1.52 -0.05 0.00 -1.81 0.00 0.00 61.98 58.58 2qtr s VAL 126 Cb 0.14 -1.74 0.03 0.00 0.56 0.00 0.00 36.38 35.38 2qtr s VAL 126 CO 0.87 -0.50 0.06 -0.89 -0.31 0.00 0.00 175.10 174.33 2qtr s THR 127 N -3.96 3.58 0.31 5.32 2.01 -0.25 -4.74 115.64 117.90 2qtr s THR 127 Ca 0.15 -1.04 -0.29 0.00 0.31 0.00 0.00 61.69 60.82 2qtr s THR 127 Cb 0.05 -2.95 -0.10 0.00 0.01 0.00 0.00 72.50 69.51 2qtr s THR 127 CO -0.03 -0.05 1.16 -0.36 -0.69 0.00 0.00 174.62 174.65 2qtr s PHE 128 N 1.39 3.38 -0.25 4.92 0.08 -1.26 -1.04 117.98 125.20 2qtr s PHE 128 Ca -0.01 1.61 0.02 0.00 0.12 0.00 0.00 56.93 58.67 2qtr s PHE 128 Cb -0.19 -3.39 0.06 0.00 -0.57 0.00 0.00 43.02 38.93 2qtr s PHE 128 CO 0.01 -0.97 -0.10 0.08 -0.10 0.00 0.00 175.22 174.14 2qtr s VAL 129 N -1.20 1.98 0.00 -0.44 1.01 0.41 -1.09 120.40 121.07 2qtr s VAL 129 Ca 0.47 -1.48 -0.10 0.00 0.00 0.00 0.00 61.98 60.87 2qtr s VAL 129 Cb -0.34 -2.12 -0.05 0.00 0.00 0.00 0.00 36.38 33.87 2qtr s VAL 129 CO 0.44 -0.02 0.33 -0.83 0.00 0.00 0.00 175.10 175.01 2qtr s GLY 130 N 1.19 2.34 -0.02 4.51 0.00 0.17 -1.13 107.32 114.38 2qtr s GLY 130 Ca -0.07 -0.42 0.04 0.00 0.00 0.00 0.00 44.72 44.27 2qtr s GLY 130 CO -0.06 -0.15 -0.13 -1.34 0.00 0.00 0.00 173.10 171.42 2qtr s VAL 131 N -1.20 1.06 0.58 1.40 -7.23 -0.56 -1.89 120.40 112.56 2qtr s VAL 131 Ca 0.25 -0.56 -0.19 0.00 -1.81 0.00 0.00 61.98 59.68 2qtr s VAL 131 Cb -0.14 -0.89 -0.04 0.00 0.56 0.00 0.00 36.38 35.86 2qtr s VAL 131 CO 0.13 0.30 1.16 0.00 -0.31 0.00 0.00 175.10 176.39 2qtr s ALA 132 N -0.21 2.60 -0.04 1.32 0.00 -1.26 -0.27 121.76 123.90 2qtr s ALA 132 Ca 0.03 0.87 -0.02 0.00 0.00 0.00 0.00 51.96 52.84 2qtr s ALA 132 Cb -0.06 -3.39 0.02 0.00 0.00 0.00 0.00 23.12 19.68 2qtr s ALA 132 CO -0.00 -0.99 0.09 0.50 0.00 0.00 0.00 175.76 175.36 2qtr s ARG 133 N -3.39 0.07 0.11 0.00 3.52 -1.26 -4.63 118.95 113.37 2qtr s ARG 133 Ca 0.74 0.19 -0.35 0.00 -0.13 0.00 0.00 55.73 56.18 2qtr s ARG 133 Cb -0.26 -0.06 -0.15 0.00 -1.56 0.00 0.00 34.95 32.92 2qtr s ARG 133 CO 0.31 -0.08 1.49 -2.30 -0.81 0.00 0.00 175.30 173.91 2qtr n PRO 134 N 3.54 1.71 -0.20 5.12 -0.02 -1.26 -1.22 135.00 142.67 2qtr n PRO 134 Ca -0.19 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 61.91 2qtr n PRO 134 Cb 0.56 -2.33 0.00 0.00 -0.02 0.00 0.00 33.50 31.70 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 3.09 0.75 3.24 -1.23 0.00 -1.26 -5.01 105.19 104.78 2qtr n GLY 135 Ca 0.18 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.03 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 -2.51 1.33 -0.00 1.61 1.51 -0.36 -5.04 117.35 113.90 2qtr s TYR 136 Ca 0.00 -0.61 0.07 0.00 -1.01 0.00 0.00 57.07 55.52 2qtr s TYR 136 Cb 0.00 -0.69 -0.02 0.00 -0.11 0.00 0.00 41.96 41.13 2qtr s TYR 136 CO 0.00 0.12 -0.23 0.15 -1.11 0.00 0.00 175.55 174.48 2qtr s LYS 137 N -2.97 2.10 -1.02 -0.62 1.02 -1.26 -4.52 119.74 112.46 2qtr s LYS 137 Ca 0.11 -0.94 -0.19 0.00 0.02 0.00 0.00 55.97 54.97 2qtr s LYS 137 Cb -0.03 -2.10 0.11 0.00 -0.52 0.00 0.00 37.83 35.29 2qtr s LYS 137 CO 0.02 0.56 1.30 -0.51 -0.92 0.00 0.00 175.35 175.80 2qtr s LEU 138 N -0.88 4.58 -0.05 3.17 1.43 -1.26 -4.67 118.68 121.00 2qtr s LEU 138 Ca 0.11 -2.08 -0.02 0.00 -1.03 0.00 0.00 54.13 51.11 2qtr s LEU 138 Cb -0.10 -2.45 0.03 0.00 0.03 0.00 0.00 46.19 43.70 2qtr s LEU 138 CO 0.01 -1.13 0.08 -0.13 0.23 0.00 0.00 176.35 175.41 2qtr s ARG 139 N 3.19 -0.04 0.08 1.70 0.52 -1.26 -5.15 118.95 117.99 2qtr s ARG 139 Ca 0.39 0.40 -0.20 0.00 -0.52 0.00 0.00 55.73 55.80 2qtr s ARG 139 Cb -0.03 -0.41 0.05 0.00 0.52 0.00 0.00 34.95 35.09 2qtr s ARG 139 CO -0.07 -0.30 0.49 -0.08 0.02 0.00 0.00 175.30 175.36 2qtr s THR 140 N 2.02 0.04 -1.65 0.02 -1.32 -1.26 -4.73 115.64 108.76 2qtr s THR 140 Ca 0.02 -0.33 0.23 0.00 -1.21 0.00 0.00 61.69 60.41 2qtr s THR 140 Cb -0.12 -1.02 0.01 0.00 -1.51 0.00 0.00 72.50 69.86 2qtr s THR 140 CO -0.04 -0.18 1.20 -0.81 -2.21 0.00 0.00 174.62 172.58 2qtr n PRO 141 N 0.15 0.75 -2.71 7.08 -0.04 -1.26 -4.96 135.00 134.01 2qtr n PRO 141 Ca -0.18 -0.57 -0.30 0.00 -0.04 0.00 0.00 63.50 62.41 2qtr n PRO 141 Cb 0.62 -1.49 -0.02 0.00 -0.04 0.00 0.00 33.50 32.56 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 -2.64 3.49 0.32 0.54 1.51 -1.26 -5.01 117.35 114.29 2qtr s TYR 142 Ca 0.17 1.07 -0.29 0.00 -1.01 0.00 0.00 57.07 57.01 2qtr s TYR 142 Cb 0.18 -2.48 -0.11 0.00 -0.11 0.00 0.00 41.96 39.44 2qtr s TYR 142 CO 0.63 -0.20 1.48 -2.14 -1.11 0.00 0.00 175.55 174.22 2qtr s PRO 143 N -4.10 4.18 -0.12 -1.71 0.02 -1.26 -4.97 135.00 127.04 2qtr s PRO 143 Ca 0.52 2.47 -0.30 0.00 0.02 0.00 0.00 61.00 63.70 2qtr s PRO 143 Cb -0.10 -3.03 0.12 0.00 0.02 0.00 0.00 34.50 31.50 2qtr s PRO 143 CO 0.35 -0.49 0.95 -1.50 -0.33 0.00 0.00 177.00 175.98 2qtr s ILE 144 N -0.53 0.00 -0.08 2.83 2.07 -1.26 -4.68 121.20 119.54 2qtr s ILE 144 Ca 0.57 0.00 0.01 0.00 -1.41 0.00 0.00 60.65 59.82 2qtr s ILE 144 Cb -0.45 -1.00 -0.02 0.00 0.13 0.00 0.00 42.46 41.12 2qtr s ILE 144 CO 0.53 0.00 -0.11 -0.89 -1.91 0.00 0.00 174.94 172.55 2qtr s THR 145 N -1.49 3.30 0.17 4.00 2.01 -0.25 -4.99 115.64 118.39 2qtr s THR 145 Ca -0.01 -0.61 0.09 0.00 0.31 0.00 0.00 61.69 61.47 2qtr s THR 145 Cb -0.01 -2.34 -0.04 0.00 0.01 0.00 0.00 72.50 70.12 2qtr s THR 145 CO 0.01 0.57 -0.14 0.42 -0.69 0.00 0.00 174.62 174.78 2qtr s THR 146 N -0.39 2.96 -0.04 -0.82 -4.23 -1.26 0.41 115.64 112.27 2qtr s THR 146 Ca 0.05 -1.71 0.03 0.00 -1.18 0.00 0.00 61.69 58.88 2qtr s THR 146 Cb -0.12 -2.44 0.01 0.00 1.34 0.00 0.00 72.50 71.28 2qtr s THR 146 CO 0.02 -0.08 -0.11 -0.69 -0.54 0.00 0.00 174.62 173.23 2qtr s VAL 147 N -1.61 0.95 -0.07 2.29 1.01 -0.79 -4.91 120.40 117.27 2qtr s VAL 147 Ca 0.23 -0.43 -0.26 0.00 0.00 0.00 0.00 61.98 61.52 2qtr s VAL 147 Cb -0.09 -0.85 -0.03 0.00 0.00 0.00 0.00 36.38 35.41 2qtr s VAL 147 CO 0.13 0.30 0.80 -0.70 0.00 0.00 0.00 175.10 175.63 2qtr s GLU 148 N 0.31 4.44 0.16 2.72 2.56 -1.26 -4.37 118.70 123.26 2qtr s GLU 148 Ca -0.06 1.05 -0.00 0.00 0.00 0.00 0.00 54.97 55.96 2qtr s GLU 148 Cb -0.11 -3.48 -0.04 0.00 2.00 0.00 0.00 34.13 32.50 2qtr s GLU 148 CO 0.01 -0.05 0.06 0.96 -0.56 0.00 0.00 175.26 175.68 2qtr s ILE 149 N 1.15 0.25 -0.61 -3.70 -4.36 -1.26 -5.06 121.20 107.61 2qtr s ILE 149 Ca 0.41 -1.95 -0.26 0.00 -0.26 0.00 0.00 60.65 58.59 2qtr s ILE 149 Cb -0.18 -2.20 0.04 0.00 1.25 0.00 0.00 42.46 41.36 2qtr s ILE 149 CO 0.19 -0.34 1.11 -2.84 0.24 0.00 0.00 174.94 173.31 2qtr s PRO 150 N -4.04 3.36 0.54 0.37 0.02 -1.26 -4.97 135.00 129.03 2qtr s PRO 150 Ca 0.28 -0.09 -0.21 0.00 0.02 0.00 0.00 61.00 61.00 2qtr s PRO 150 Cb 0.07 -4.08 -0.06 0.00 0.02 0.00 0.00 34.50 30.46 2qtr s PRO 150 CO 0.05 -1.72 1.11 0.39 -0.33 0.00 0.00 177.00 176.50 2qtr n GLU 151 N 8.26 1.26 -3.80 5.54 1.02 -1.26 -5.03 120.64 126.64 2qtr n GLU 151 Ca 0.04 0.47 -0.21 0.00 -0.02 0.00 0.00 57.16 57.45 2qtr n GLU 151 Cb 0.48 -2.28 -0.17 0.00 -0.02 0.00 0.00 31.44 29.45 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 -1.39 0.44 -2.00 -0.32 5.99 -1.26 -5.00 117.98 114.45 2qtr s PHE 152 Ca 0.72 -0.02 0.01 0.00 0.00 0.00 0.00 56.93 57.64 2qtr s PHE 152 Cb -0.45 -0.63 0.04 0.00 0.00 0.00 0.00 43.02 41.98 2qtr s PHE 152 CO 0.50 -0.24 1.03 0.00 -0.00 0.00 0.00 175.22 176.51 2qtr n ALA 153 N 4.92 2.49 -1.74 11.12 0.00 -1.26 -4.67 120.51 131.37 2qtr n ALA 153 Ca -0.11 -0.08 -0.39 0.00 0.00 0.00 0.00 53.44 52.86 2qtr n ALA 153 Cb 0.50 -1.00 0.03 0.00 0.00 0.00 0.00 19.45 18.99 2qtr n ALA 153 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 2qtr n VAL 154 N -0.36 3.29 -3.87 0.00 3.14 -1.26 -5.02 118.33 114.26 2qtr n VAL 154 Ca 0.02 -0.50 -0.10 0.00 -2.96 0.00 0.00 64.34 60.80 2qtr n VAL 154 Cb 0.04 -1.70 -0.08 0.00 -1.06 0.00 0.00 33.84 31.03 2qtr n VAL 154 CO 0.00 0.00 0.00 -0.94 -6.46 0.00 0.00 176.83 169.43 2qtr s SER 155 N -0.71 0.09 0.24 6.55 1.04 -1.26 -4.90 113.70 114.74 2qtr s SER 155 Ca 0.67 -0.47 -0.04 0.00 0.48 0.00 0.00 55.95 56.59 2qtr s SER 155 Cb -0.44 0.29 0.26 0.00 0.10 0.00 0.00 66.02 66.22 2qtr s SER 155 CO 0.53 -0.58 1.71 0.28 0.98 0.00 0.00 173.24 176.16 2qtr h SER 156 N 3.35 0.82 -0.41 7.02 0.02 -1.88 -2.41 113.55 120.05 2qtr h SER 156 Ca -0.33 -0.22 0.03 0.00 -0.84 0.00 0.00 61.79 60.44 2qtr h SER 156 Cb 1.19 -0.22 -0.04 0.00 0.14 0.00 0.00 62.40 63.48 2qtr h SER 156 CO 0.51 0.91 0.20 -1.28 -1.14 0.00 0.00 176.83 176.02 2qtr h SER 157 N 0.77 0.28 -0.72 3.07 0.87 -1.95 0.16 113.55 116.03 2qtr h SER 157 Ca 0.14 0.02 -0.04 0.00 -1.23 0.00 0.00 61.79 60.69 2qtr h SER 157 Cb 0.53 -0.03 -0.03 0.00 -0.44 0.00 0.00 62.40 62.43 2qtr h SER 157 CO 0.03 0.20 0.31 0.25 -0.53 0.00 0.00 176.83 177.09 2qtr h LEU 158 N 0.40 0.98 -0.41 2.23 6.46 -1.93 -2.13 115.31 120.91 2qtr h LEU 158 Ca 0.18 -0.16 -0.04 0.00 -0.12 0.00 0.00 57.88 57.74 2qtr h LEU 158 Cb 0.10 -0.25 -0.02 0.00 -0.73 0.00 0.00 40.66 39.76 2qtr h LEU 158 CO -0.13 0.87 0.09 -0.07 -0.62 0.00 0.00 178.44 178.58 2qtr h LEU 159 N 1.02 0.62 -0.89 2.25 3.38 -0.89 0.26 115.31 121.07 2qtr h LEU 159 Ca 0.24 -0.24 0.01 0.00 0.09 0.00 0.00 57.88 57.99 2qtr h LEU 159 Cb 0.18 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.72 2qtr h LEU 159 CO -0.02 0.70 0.59 0.03 0.09 0.00 0.00 178.44 179.82 2qtr h ARG 160 N 0.52 1.16 -0.16 1.13 3.08 -0.56 -0.67 114.38 118.88 2qtr h ARG 160 Ca 0.13 -0.07 -0.15 0.00 0.07 0.00 0.00 59.98 59.96 2qtr h ARG 160 Cb 0.32 -0.26 -0.01 0.00 0.08 0.00 0.00 29.97 30.10 2qtr h ARG 160 CO 0.00 0.77 -0.54 1.49 -1.07 0.00 0.00 179.97 180.62 2qtr h GLU 161 N 1.19 0.46 -0.59 0.04 4.57 -1.10 -2.45 114.58 116.71 2qtr h GLU 161 Ca 0.33 -0.29 -0.11 0.00 -1.18 0.00 0.00 59.36 58.12 2qtr h GLU 161 Cb -0.13 0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.47 2qtr h GLU 161 CO -0.07 0.88 -0.04 0.00 -1.18 0.00 0.00 179.01 178.59 2qtr h ARG 162 N 0.36 1.07 -0.59 1.92 3.08 -0.35 -1.38 114.38 118.49 2qtr h ARG 162 Ca 0.01 -0.36 -0.01 0.00 0.07 0.00 0.00 59.98 59.69 2qtr h ARG 162 Cb 1.06 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.99 2qtr h ARG 162 CO 0.10 1.07 0.33 1.88 -1.07 0.00 0.00 179.97 182.27 2qtr h TYR 163 N 0.96 0.81 -0.88 3.04 -1.99 -1.04 0.20 116.97 118.07 2qtr h TYR 163 Ca 0.16 -0.02 0.03 0.00 2.00 0.00 0.00 58.73 60.90 2qtr h TYR 163 Cb 0.61 -0.26 -0.05 0.00 2.00 0.00 0.00 36.73 39.03 2qtr h TYR 163 CO 0.04 0.58 0.57 -0.22 -0.00 0.00 0.00 178.16 179.13 2qtr h LYS 164 N 0.80 1.09 -0.24 4.88 3.64 -0.78 -1.99 116.57 123.97 2qtr h LYS 164 Ca 0.21 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.52 2qtr h LYS 164 Cb 0.03 -0.25 0.00 0.00 -0.41 0.00 0.00 32.23 31.61 2qtr h LYS 164 CO -0.03 0.72 0.00 0.39 -2.27 0.00 0.00 179.45 178.26 2qtr n GLU 165 N -4.52 1.77 -2.98 1.90 1.02 -0.54 -4.91 120.64 112.38 2qtr n GLU 165 Ca 0.11 -1.18 -0.21 0.00 -0.02 0.00 0.00 57.16 55.86 2qtr n GLU 165 Cb 0.07 -1.35 0.03 0.00 -0.02 0.00 0.00 31.44 30.18 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 0.42 -4.66 -3.55 3.49 4.01 -0.09 -5.00 118.16 112.77 2qtr n LYS 166 Ca 0.15 0.87 -0.24 0.00 -0.51 0.00 0.00 58.31 58.57 2qtr n LYS 166 Cb 0.32 -5.62 -0.02 0.00 -0.51 0.00 0.00 35.03 29.20 2qtr n LYS 166 CO 0.00 0.00 0.00 0.15 -1.11 0.00 0.00 177.40 176.44 2qtr s LYS 167 N -5.64 3.49 0.38 1.97 1.02 0.51 -5.02 119.74 116.45 2qtr s LYS 167 Ca 0.29 -0.41 -0.27 0.00 0.02 0.00 0.00 55.97 55.59 2qtr s LYS 167 Cb -0.13 -2.74 -0.10 0.00 -0.52 0.00 0.00 37.83 34.35 2qtr s LYS 167 CO 0.36 0.25 1.38 -0.08 -0.92 0.00 0.00 175.35 176.34 2qtr s THR 168 N -2.16 2.38 -0.02 2.17 -1.32 -1.26 -4.50 115.64 110.93 2qtr s THR 168 Ca 0.39 0.37 0.03 0.00 -1.21 0.00 0.00 61.69 61.26 2qtr s THR 168 Cb -0.10 -3.23 0.04 0.00 -1.51 0.00 0.00 72.50 67.71 2qtr s THR 168 CO 0.33 0.07 0.95 0.00 -2.21 0.00 0.00 174.62 173.76 2qtr n LYS 170 N -0.55 2.34 -0.80 0.00 4.81 -1.26 -2.00 118.16 120.70 2qtr n LYS 170 Ca 0.02 0.82 0.00 0.00 -0.87 0.00 0.00 58.31 58.28 2qtr n LYS 170 Cb 0.35 -2.46 0.00 0.00 0.02 0.00 0.00 35.03 32.94 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 0.44 0.00 -0.04 5.64 4.02 -1.26 -4.84 117.16 121.12 2qtr n TYR 171 Ca 0.04 0.00 -0.03 0.00 -0.01 0.00 0.00 57.90 57.89 2qtr n TYR 171 Cb 0.37 -0.68 -0.14 0.00 -0.02 0.00 0.00 39.34 38.87 2qtr n TYR 171 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 2qtr n LEU 172 N 0.00 0.33 -3.76 7.72 4.77 -0.85 -4.92 117.00 120.30 2qtr n LEU 172 Ca 0.00 0.15 -0.10 0.00 -0.03 0.00 0.00 56.01 56.02 2qtr n LEU 172 Cb 0.02 0.25 -0.07 0.00 -2.33 0.00 0.00 43.42 41.30 2qtr n LEU 172 CO 0.00 0.30 0.02 -1.48 -1.33 0.00 0.00 177.39 174.90 2qtr s LEU 173 N -5.45 0.93 0.26 2.23 2.34 -1.26 -1.45 118.68 116.29 2qtr s LEU 173 Ca -0.07 -0.36 -0.30 0.00 0.06 0.00 0.00 54.13 53.46 2qtr s LEU 173 Cb 0.08 1.37 -0.14 0.00 -0.56 0.00 0.00 46.19 46.94 2qtr s LEU 173 CO 0.84 -0.70 1.23 -2.65 -1.06 0.00 0.00 176.35 174.01 2qtr n PRO 174 N 0.21 1.70 -0.30 1.48 -0.02 -1.26 -4.81 135.00 132.00 2qtr n PRO 174 Ca -0.17 0.60 0.13 0.00 -2.02 0.00 0.00 63.50 62.05 2qtr n PRO 174 Cb 0.61 -2.14 0.38 0.00 -0.02 0.00 0.00 33.50 32.33 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 3.13 0.66 -0.24 -0.52 4.39 -1.98 -0.13 114.58 119.90 2qtr h GLU 175 Ca -0.43 -0.04 -0.06 0.00 0.34 0.00 0.00 59.36 59.17 2qtr h GLU 175 Cb 1.31 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 29.79 2qtr h GLU 175 CO 0.68 0.44 -0.10 0.87 -1.16 0.00 0.00 179.01 179.74 2qtr h LYS 176 N 0.68 0.39 -0.21 2.33 1.57 -1.92 -1.17 116.57 118.24 2qtr h LYS 176 Ca 0.50 -0.10 -0.18 0.00 -1.87 0.00 0.00 60.65 59.00 2qtr h LYS 176 Cb 0.85 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 33.11 2qtr h LYS 176 CO -0.25 0.50 -0.58 0.28 -0.57 0.00 0.00 179.45 178.82 2qtr h VAL 177 N 0.36 1.30 -0.48 0.50 2.07 -1.37 -2.52 116.25 116.12 2qtr h VAL 177 Ca 0.07 -1.81 0.02 0.00 0.82 0.00 0.00 66.70 65.80 2qtr h VAL 177 Cb 0.41 1.76 -0.03 0.00 -1.52 0.00 0.00 31.29 31.91 2qtr h VAL 177 CO 0.02 0.57 0.30 1.56 0.02 0.00 0.00 177.57 180.04 2qtr h GLN 178 N 0.52 0.58 -0.51 1.57 4.20 -0.71 -0.89 115.11 119.87 2qtr h GLN 178 Ca 0.00 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.68 2qtr h GLN 178 Cb 1.16 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 28.79 2qtr h GLN 178 CO 0.12 0.38 0.34 0.28 -0.67 0.00 0.00 178.83 179.28 2qtr h VAL 179 N 0.60 1.13 -0.53 -0.54 2.07 -1.17 -1.03 116.25 116.78 2qtr h VAL 179 Ca 0.19 -0.25 -0.00 0.00 0.82 0.00 0.00 66.70 67.46 2qtr h VAL 179 Cb -0.01 0.38 -0.03 0.00 -1.52 0.00 0.00 31.29 30.12 2qtr h VAL 179 CO -0.07 0.13 0.33 0.22 0.02 0.00 0.00 177.57 178.20 2qtr h TYR 180 N 0.69 0.69 0.20 1.57 3.20 -1.09 0.11 116.97 122.36 2qtr h TYR 180 Ca 0.19 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.05 2qtr h TYR 180 Cb -0.08 -0.23 0.00 0.00 1.54 0.00 0.00 36.73 37.97 2qtr h TYR 180 CO -0.04 0.47 -0.10 0.82 -1.64 0.00 0.00 178.16 177.67 2qtr h ILE 181 N 0.72 0.80 -0.65 1.81 2.04 -0.76 -1.67 117.51 119.80 2qtr h ILE 181 Ca 0.19 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.97 2qtr h ILE 181 Cb -0.03 0.80 -0.03 0.00 -0.74 0.00 0.00 36.82 36.82 2qtr h ILE 181 CO -0.04 0.00 0.08 -0.33 0.00 0.00 0.00 178.15 177.86 2qtr h GLU 182 N -0.27 1.08 -0.93 2.37 5.08 -1.06 -1.05 114.58 119.79 2qtr h GLU 182 Ca -0.03 -0.30 0.01 0.00 -1.00 0.00 0.00 59.36 58.05 2qtr h GLU 182 Cb 0.21 -0.12 -0.05 0.00 0.50 0.00 0.00 28.75 29.29 2qtr h GLU 182 CO 0.05 1.00 0.62 -0.09 -1.00 0.00 0.00 179.01 179.58 2qtr h ARG 183 N 1.01 1.22 -0.13 2.33 2.43 -0.85 -2.47 114.38 117.91 2qtr h ARG 183 Ca 0.19 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.29 2qtr h ARG 183 Cb 0.46 -0.27 0.00 0.00 -0.42 0.00 0.00 29.97 29.74 2qtr h ARG 183 CO 0.02 0.81 0.00 0.09 -1.51 0.00 0.00 179.97 179.37 2qtr n ASN 184 N -4.44 1.87 -2.61 -3.80 4.13 -0.64 -4.95 115.26 104.83 2qtr n ASN 184 Ca 0.11 -1.69 -0.21 0.00 1.68 0.00 0.00 54.58 54.46 2qtr n ASN 184 Cb 0.02 -0.08 0.01 0.00 -1.54 0.00 0.00 39.78 38.19 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 1.20 -0.51 3.79 7.41 0.00 -0.49 -4.97 105.19 111.62 2qtr n GLY 185 Ca 0.17 0.04 -0.34 0.00 0.00 0.00 0.00 46.02 45.90 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 -6.26 3.72 -1.51 0.99 1.43 -0.67 -3.35 118.68 113.03 2qtr s LEU 186 Ca 0.10 2.01 -0.06 0.00 -1.03 0.00 0.00 54.13 55.15 2qtr s LEU 186 Cb -0.05 -4.56 0.02 0.00 0.03 0.00 0.00 46.19 41.63 2qtr s LEU 186 CO 0.13 -1.07 0.63 -1.22 0.23 0.00 0.00 176.35 175.05 2qtr n TYR 187 N -1.37 -2.01 -1.02 0.29 4.01 -1.26 -1.27 117.16 114.53 2qtr n TYR 187 Ca 0.10 0.55 -0.01 0.00 -0.16 0.00 0.00 57.90 58.39 2qtr n TYR 187 Cb 0.52 -4.30 -0.00 0.00 -0.31 0.00 0.00 39.34 35.25 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 -4.07 -0.06 0.00 -0.72 4.07 -1.25 -1.55 120.64 117.07 2qtr n GLU 188 Ca -0.09 0.39 0.00 0.00 -0.06 0.00 0.00 57.16 57.40 2qtr n GLU 188 Cb 0.60 -3.78 0.00 0.00 -0.06 0.00 0.00 31.44 28.20 2qtr n GLU 188 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52