#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xo3 s ALA 2 N 0.00 0.44 0.09 -0.43 0.00 -1.26 -4.85 121.76 115.75 1xo3 s ALA 2 Ca 0.00 -0.73 -0.29 0.00 0.00 0.00 0.00 51.96 50.93 1xo3 s ALA 2 Cb 0.00 0.08 -0.14 0.00 0.00 0.00 0.00 23.12 23.06 1xo3 s ALA 2 CO 0.00 -0.07 1.65 0.00 0.00 0.00 0.00 175.76 177.33 1xo3 h ALA 3 N 4.48 -0.60 -3.00 0.00 0.00 -1.86 -3.38 119.26 114.91 1xo3 h ALA 3 Ca -0.35 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1xo3 h ALA 3 Cb 1.20 0.33 0.00 0.00 0.00 0.00 0.00 17.79 19.33 1xo3 h ALA 3 CO 0.42 -0.85 0.00 -0.35 0.00 0.00 0.00 179.25 178.46 1xo3 n PRO 4 N -5.38 0.00 -4.12 0.00 -0.04 -1.26 -5.02 135.00 119.18 1xo3 n PRO 4 Ca -0.10 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.23 1xo3 n PRO 4 Cb 0.29 -0.53 -0.11 0.00 -0.04 0.00 0.00 33.50 33.11 1xo3 n PRO 4 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1xo3 s LEU 5 N -0.82 2.35 -0.10 1.53 1.43 -1.26 -4.96 118.68 116.84 1xo3 s LEU 5 Ca 0.00 -0.72 0.02 0.00 -1.03 0.00 0.00 54.13 52.40 1xo3 s LEU 5 Cb 0.00 -0.20 0.01 0.00 0.03 0.00 0.00 46.19 46.03 1xo3 s LEU 5 CO 0.00 -0.27 -0.15 0.00 0.23 0.00 0.00 176.35 176.16 1xo3 s VAL 7 N 0.95 2.29 -0.06 0.00 -7.23 -0.89 -0.17 120.40 115.29 1xo3 s VAL 7 Ca -0.08 -1.99 0.06 0.00 -1.81 0.00 0.00 61.98 58.16 1xo3 s VAL 7 Cb -0.15 -2.08 -0.01 0.00 0.56 0.00 0.00 36.38 34.70 1xo3 s VAL 7 CO -0.01 -0.11 -0.24 -0.75 -0.31 0.00 0.00 175.10 173.68 1xo3 s LYS 8 N -2.60 2.58 -0.14 4.82 2.20 0.17 -2.06 119.74 124.70 1xo3 s LYS 8 Ca 0.19 -0.89 -0.03 0.00 -0.36 0.00 0.00 55.97 54.88 1xo3 s LYS 8 Cb -0.08 -2.19 -0.03 0.00 -1.51 0.00 0.00 37.83 34.02 1xo3 s LYS 8 CO 0.09 0.39 -0.02 0.08 -0.36 0.00 0.00 175.35 175.53 1xo3 s VAL 9 N -0.18 4.03 0.06 4.02 1.01 -0.07 -0.03 120.40 129.23 1xo3 s VAL 9 Ca -0.03 -0.32 -0.07 0.00 0.00 0.00 0.00 61.98 61.56 1xo3 s VAL 9 Cb -0.14 -2.75 -0.01 0.00 0.00 0.00 0.00 36.38 33.48 1xo3 s VAL 9 CO 0.04 0.51 0.13 -0.70 0.00 0.00 0.00 175.10 175.08 1xo3 s GLU 10 N 0.10 0.71 0.01 2.72 2.12 0.81 0.92 118.70 126.09 1xo3 s GLU 10 Ca 0.00 -0.88 0.08 0.00 0.36 0.00 0.00 54.97 54.53 1xo3 s GLU 10 Cb -0.13 0.28 -0.03 0.00 0.26 0.00 0.00 34.13 34.51 1xo3 s GLU 10 CO 0.02 -0.20 -0.23 -0.06 -0.54 0.00 0.00 175.26 174.26 1xo3 s PHE 11 N -3.28 2.42 0.00 5.30 0.08 -0.88 -0.90 117.98 120.72 1xo3 s PHE 11 Ca 0.01 -0.36 0.00 0.00 0.12 0.00 0.00 56.93 56.70 1xo3 s PHE 11 Cb 0.03 -1.48 0.00 0.00 -0.57 0.00 0.00 43.02 41.00 1xo3 s PHE 11 CO -0.08 0.10 0.00 0.41 -0.10 0.00 0.00 175.22 175.55 1xo3 n GLY 12 N 2.06 0.00 2.22 4.36 0.00 -0.09 -4.72 105.19 109.02 1xo3 n GLY 12 Ca -0.16 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.73 1xo3 n GLY 12 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xo3 n GLY 13 N 1.71 2.69 3.12 -0.02 0.00 -1.08 -4.39 105.19 107.23 1xo3 n GLY 13 Ca 0.00 -0.93 0.00 0.00 0.00 0.00 0.00 46.02 45.09 1xo3 n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xo3 n GLY 14 N 2.87 0.25 0.29 -0.02 0.00 -1.26 -3.35 105.19 103.97 1xo3 n GLY 14 Ca 0.37 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.40 1xo3 n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xo3 h ALA 15 N 0.00 1.50 -0.21 4.61 0.00 -1.84 -2.03 119.26 121.30 1xo3 h ALA 15 Ca 0.00 -0.13 0.06 0.00 0.00 0.00 0.00 54.91 54.84 1xo3 h ALA 15 Cb 0.35 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1xo3 h ALA 15 CO 0.00 0.38 0.18 1.05 0.00 0.00 0.00 179.25 180.86 1xo3 h GLU 16 N 0.58 0.00 0.00 0.00 4.11 -1.85 0.52 114.58 117.93 1xo3 h GLU 16 Ca 0.14 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.57 1xo3 h GLU 16 Cb 0.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.40 1xo3 h GLU 16 CO -0.01 0.00 0.00 -0.07 0.07 0.00 0.00 179.01 179.00 1xo3 h LEU 17 N 0.00 0.00 0.00 3.06 3.38 -1.70 0.56 115.31 120.61 1xo3 h LEU 17 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1xo3 h LEU 17 Cb 0.45 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1xo3 h LEU 17 CO -0.00 0.00 -0.12 -0.07 0.09 0.00 0.00 178.44 178.34 1xo3 h LEU 18 N 0.00 0.00 -2.78 1.67 3.38 -1.06 -3.27 115.31 113.25 1xo3 h LEU 18 Ca 0.00 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1xo3 h LEU 18 Cb 0.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.85 1xo3 h LEU 18 CO 0.00 0.02 -0.02 0.49 0.09 0.00 0.00 178.44 179.02 1xo3 n PHE 19 N -2.36 0.00 -3.01 1.13 3.72 0.13 -1.13 117.46 115.94 1xo3 n PHE 19 Ca 0.05 -0.56 -0.11 0.00 -0.05 0.00 0.00 57.45 56.78 1xo3 n PHE 19 Cb 0.45 -0.07 0.04 0.00 -0.94 0.00 0.00 39.48 38.96 1xo3 n PHE 19 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1xo3 n ASP 20 N -0.66 -3.97 0.00 4.37 2.03 0.26 -3.83 116.55 114.75 1xo3 n ASP 20 Ca 0.04 -0.27 0.00 0.00 0.52 0.00 0.00 54.79 55.08 1xo3 n ASP 20 Cb 0.39 -2.71 0.00 0.00 -0.72 0.00 0.00 41.12 38.07 1xo3 n ASP 20 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1xo3 n GLY 21 N -1.23 0.78 3.69 0.27 0.00 0.15 -4.96 105.19 103.89 1xo3 n GLY 21 Ca -0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 1xo3 n GLY 21 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xo3 s VAL 22 N -2.95 4.99 -0.06 1.61 0.11 -1.25 -4.94 120.40 117.92 1xo3 s VAL 22 Ca 0.00 1.43 -0.10 0.00 -2.93 0.00 0.00 61.98 60.38 1xo3 s VAL 22 Cb 0.00 -4.04 -0.03 0.00 -1.53 0.00 0.00 36.38 30.78 1xo3 s VAL 22 CO 0.00 0.15 -0.19 0.29 -3.33 0.00 0.00 175.10 172.02 1xo3 n LYS 23 N 4.56 0.29 -2.73 1.54 5.02 -1.26 -4.56 118.16 121.01 1xo3 n LYS 23 Ca 0.00 0.11 -0.42 0.00 -2.02 0.00 0.00 58.31 55.99 1xo3 n LYS 23 Cb 0.50 -0.99 -0.03 0.00 -0.02 0.00 0.00 35.03 34.49 1xo3 n LYS 23 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1xo3 s LYS 24 N -2.44 4.42 -0.11 1.97 2.20 -1.26 -2.07 119.74 122.45 1xo3 s LYS 24 Ca -0.16 1.32 -0.03 0.00 -0.36 0.00 0.00 55.97 56.74 1xo3 s LYS 24 Cb 0.02 -3.53 0.05 0.00 -1.51 0.00 0.00 37.83 32.85 1xo3 s LYS 24 CO 0.23 -0.27 0.07 -1.58 -0.36 0.00 0.00 175.35 173.44 1xo3 s HIS 25 N 1.87 0.22 -0.06 4.03 2.46 0.26 -4.98 115.29 119.09 1xo3 s HIS 25 Ca 0.47 -0.09 -0.03 0.00 0.47 0.00 0.00 55.06 55.87 1xo3 s HIS 25 Cb -0.18 -0.63 -0.04 0.00 -0.13 0.00 0.00 32.58 31.60 1xo3 s HIS 25 CO 0.18 -0.37 0.10 -1.14 -2.47 0.00 0.00 174.74 171.04 1xo3 s GLN 26 N 2.12 3.22 0.00 2.88 0.74 -1.26 -0.89 119.66 126.47 1xo3 s GLN 26 Ca 0.03 -0.33 0.01 0.00 0.05 0.00 0.00 55.36 55.12 1xo3 s GLN 26 Cb -0.14 -2.98 -0.01 0.00 1.10 0.00 0.00 33.01 30.98 1xo3 s GLN 26 CO -0.06 0.71 -0.03 0.54 -0.55 0.00 0.00 175.29 175.89 1xo3 s VAL 27 N -1.09 0.23 -0.12 1.34 0.11 -0.88 -4.97 120.40 115.02 1xo3 s VAL 27 Ca 0.19 -0.26 -0.03 0.00 -2.93 0.00 0.00 61.98 58.94 1xo3 s VAL 27 Cb -0.12 -0.22 -0.03 0.00 -1.53 0.00 0.00 36.38 34.47 1xo3 s VAL 27 CO 0.09 -0.02 0.00 0.00 -3.33 0.00 0.00 175.10 171.84 1xo3 s ALA 28 N -0.29 3.23 0.45 1.54 0.00 -1.26 -2.10 121.76 123.33 1xo3 s ALA 28 Ca -0.01 -0.80 -0.22 0.00 0.00 0.00 0.00 51.96 50.93 1xo3 s ALA 28 Cb -0.02 -1.58 -0.09 0.00 0.00 0.00 0.00 23.12 21.42 1xo3 s ALA 28 CO -0.00 0.41 1.04 -0.51 0.00 0.00 0.00 175.76 176.70 1xo3 s LEU 29 N -0.31 3.97 -0.02 0.00 2.01 -0.69 -5.00 118.68 118.64 1xo3 s LEU 29 Ca 0.06 1.96 -0.22 0.00 0.01 0.00 0.00 54.13 55.95 1xo3 s LEU 29 Cb -0.12 -4.41 -0.14 0.00 0.01 0.00 0.00 46.19 41.53 1xo3 s LEU 29 CO 0.02 -0.65 0.95 -0.65 1.01 0.00 0.00 176.35 177.04 1xo3 h PRO 30 N 1.95 -0.47 0.00 1.29 0.11 -1.99 -3.40 132.00 129.49 1xo3 h PRO 30 Ca -0.49 0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1xo3 h PRO 30 Cb 1.22 0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.43 1xo3 h PRO 30 CO 0.60 -0.17 0.00 0.41 -0.21 0.00 0.00 178.00 178.64 1xo3 n GLY 31 N 0.06 -1.98 0.00 -0.55 0.00 -1.26 -4.64 105.19 96.83 1xo3 n GLY 31 Ca -0.09 0.66 0.00 0.00 0.00 0.00 0.00 46.02 46.59 1xo3 n GLY 31 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1xo3 n GLN 32 N 0.00 3.28 -0.03 1.61 6.02 -1.26 -4.73 117.38 122.27 1xo3 n GLN 32 Ca 0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1xo3 n GLN 32 Cb 0.00 -0.72 0.29 0.00 1.02 0.00 0.00 30.24 30.83 1xo3 n GLN 32 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 1xo3 h GLU 33 N 0.00 0.59 -4.26 -1.09 3.07 -2.01 -3.47 114.58 107.40 1xo3 h GLU 33 Ca 0.00 -0.11 -0.11 0.00 -0.50 0.00 0.00 59.36 58.64 1xo3 h GLU 33 Cb 0.01 -0.09 0.00 0.00 -0.84 0.00 0.00 28.75 27.83 1xo3 h GLU 33 CO 0.00 0.57 -0.28 0.39 -1.40 0.00 0.00 179.01 178.28 1xo3 n GLU 34 N -4.30 -0.42 -0.25 2.33 -0.58 -1.26 -4.84 120.64 111.32 1xo3 n GLU 34 Ca 0.02 0.26 0.07 0.00 -0.42 0.00 0.00 57.16 57.09 1xo3 n GLU 34 Cb 0.22 -0.51 0.21 0.00 -0.57 0.00 0.00 31.44 30.79 1xo3 n GLU 34 CO 0.00 0.00 0.00 -0.35 -0.48 0.00 0.00 177.13 176.30 1xo3 n PRO 35 N -0.53 2.14 -0.76 3.49 -0.04 -1.26 -4.31 135.00 133.73 1xo3 n PRO 35 Ca -0.05 -1.67 -0.15 0.00 -0.04 0.00 0.00 63.50 61.59 1xo3 n PRO 35 Cb 0.17 -1.39 0.10 0.00 -0.04 0.00 0.00 33.50 32.33 1xo3 n PRO 35 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 1xo3 n TRP 36 N 0.82 1.82 -0.67 0.54 5.03 -1.26 -4.66 117.44 119.07 1xo3 n TRP 36 Ca 0.15 -1.42 -0.31 0.00 3.03 0.00 0.00 57.50 58.95 1xo3 n TRP 36 Cb 0.41 -0.72 0.17 0.00 -1.03 0.00 0.00 31.31 30.15 1xo3 n TRP 36 CO 0.00 0.00 0.00 -0.40 -0.03 0.00 0.00 177.69 177.26 1xo3 n ASP 37 N -0.39 -0.48 -0.05 -0.99 5.75 -1.26 -4.69 116.55 114.44 1xo3 n ASP 37 Ca 0.36 0.30 0.13 0.00 -0.01 0.00 0.00 54.79 55.57 1xo3 n ASP 37 Cb 1.11 -1.38 0.55 0.00 -1.03 0.00 0.00 41.12 40.36 1xo3 n ASP 37 CO 0.00 0.00 0.00 0.40 -0.11 0.00 0.00 177.20 177.49 1xo3 h ILE 38 N -1.96 0.87 0.26 2.12 1.08 -1.59 -1.66 117.51 116.61 1xo3 h ILE 38 Ca -0.46 -0.10 -0.01 0.00 -0.39 0.00 0.00 64.86 63.89 1xo3 h ILE 38 Cb 1.28 0.54 0.00 0.00 -3.07 0.00 0.00 36.82 35.57 1xo3 h ILE 38 CO 0.41 0.06 -0.12 -0.09 -0.69 0.00 0.00 178.15 177.71 1xo3 h ARG 39 N 0.30 -0.33 -0.27 2.37 1.12 -0.53 -1.27 114.38 115.77 1xo3 h ARG 39 Ca 0.26 0.02 -0.07 0.00 -1.11 0.00 0.00 59.98 59.08 1xo3 h ARG 39 Cb 0.61 0.08 -0.02 0.00 -0.01 0.00 0.00 29.97 30.63 1xo3 h ARG 39 CO -0.06 -0.14 -0.15 -0.91 -3.11 0.00 0.00 179.97 175.60 1xo3 h ASN 40 N -0.46 0.45 0.16 -3.80 2.35 -1.60 -1.78 115.58 110.91 1xo3 h ASN 40 Ca -0.04 -0.12 -0.14 0.00 -0.55 0.00 0.00 56.30 55.45 1xo3 h ASN 40 Cb 0.34 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.58 1xo3 h ASN 40 CO 0.06 0.64 -0.50 -0.07 -1.65 0.00 0.00 177.43 175.90 1xo3 h LEU 41 N 0.43 0.42 -0.84 1.61 -0.00 -1.33 0.21 115.31 115.82 1xo3 h LEU 41 Ca 0.08 -0.21 0.03 0.00 -0.00 0.00 0.00 57.88 57.78 1xo3 h LEU 41 Cb 0.52 -0.12 -0.05 0.00 -0.00 0.00 0.00 40.66 41.01 1xo3 h LEU 41 CO 0.03 0.85 0.54 0.25 -0.00 0.00 0.00 178.44 180.12 1xo3 h LEU 42 N 0.31 0.90 -0.17 1.67 6.46 -0.57 0.35 115.31 124.26 1xo3 h LEU 42 Ca 0.01 -0.01 -0.03 0.00 -0.12 0.00 0.00 57.88 57.74 1xo3 h LEU 42 Cb 0.99 -0.20 -0.01 0.00 -0.73 0.00 0.00 40.66 40.71 1xo3 h LEU 42 CO 0.09 0.62 0.00 0.58 -0.62 0.00 0.00 178.44 179.11 1xo3 h VAL 43 N 1.05 1.25 -0.64 1.05 2.07 -0.64 0.14 116.25 120.52 1xo3 h VAL 43 Ca 0.33 -0.83 0.08 0.00 0.82 0.00 0.00 66.70 67.11 1xo3 h VAL 43 Cb 0.01 1.47 -0.07 0.00 -1.52 0.00 0.00 31.29 31.18 1xo3 h VAL 43 CO -0.11 0.25 0.30 -0.25 0.02 0.00 0.00 177.57 177.77 1xo3 h TRP 44 N 0.04 0.53 0.05 1.57 2.91 -0.17 0.26 115.95 121.14 1xo3 h TRP 44 Ca 0.05 0.03 -0.00 0.00 1.13 0.00 0.00 58.89 60.09 1xo3 h TRP 44 Cb 0.37 -0.14 0.00 0.00 -0.51 0.00 0.00 29.16 28.88 1xo3 h TRP 44 CO 0.03 0.19 -0.02 0.82 -1.03 0.00 0.00 178.44 178.42 1xo3 h ILE 45 N 0.52 1.02 0.69 2.65 2.04 -0.08 -1.84 117.51 122.52 1xo3 h ILE 45 Ca 0.31 -0.21 -0.03 0.00 1.00 0.00 0.00 64.86 65.93 1xo3 h ILE 45 Cb 0.33 1.16 0.01 0.00 -0.74 0.00 0.00 36.82 37.57 1xo3 h ILE 45 CO -0.26 0.05 -0.33 0.50 0.00 0.00 0.00 178.15 178.11 1xo3 h LYS 46 N -0.16 -0.90 -0.01 2.37 3.64 -0.02 0.31 116.57 121.80 1xo3 h LYS 46 Ca -0.01 0.06 -0.14 0.00 -1.27 0.00 0.00 60.65 59.30 1xo3 h LYS 46 Cb 0.14 0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 32.15 1xo3 h LYS 46 CO 0.01 -0.58 -0.64 1.57 -2.27 0.00 0.00 179.45 177.53 1xo3 h LYS 47 N -0.98 0.04 0.00 1.90 2.10 -0.58 -3.04 116.57 116.00 1xo3 h LYS 47 Ca -0.10 -0.03 -0.31 0.00 -2.00 0.00 0.00 60.65 58.22 1xo3 h LYS 47 Cb 0.73 0.01 -0.06 0.00 -0.90 0.00 0.00 32.23 32.01 1xo3 h LYS 47 CO 0.16 0.67 -2.17 -1.71 -2.00 0.00 0.00 179.45 174.40 1xo3 n ASN 48 N -3.79 2.40 -0.08 7.07 2.85 -0.69 -4.79 115.26 118.22 1xo3 n ASN 48 Ca -0.01 -0.11 -0.09 0.00 -0.11 0.00 0.00 54.58 54.26 1xo3 n ASN 48 Cb 0.64 -0.31 -0.13 0.00 1.24 0.00 0.00 39.78 41.22 1xo3 n ASN 48 CO 0.00 0.00 0.00 -0.11 -2.11 0.00 0.00 177.26 175.04 1xo3 n LEU 49 N -3.10 0.36 -4.64 1.20 7.94 0.49 -4.91 117.00 114.35 1xo3 n LEU 49 Ca -0.36 -0.01 -0.43 0.00 -1.11 0.00 0.00 56.01 54.10 1xo3 n LEU 49 Cb 0.89 0.27 -0.02 0.00 0.53 0.00 0.00 43.42 45.08 1xo3 n LEU 49 CO 0.21 0.46 1.32 -0.22 -1.11 0.00 0.00 177.39 178.05 1xo3 s LEU 50 N -5.33 4.00 -0.03 -1.96 1.98 0.78 -4.51 118.68 113.61 1xo3 s LEU 50 Ca -0.11 1.71 -0.20 0.00 -2.89 0.00 0.00 54.13 52.64 1xo3 s LEU 50 Cb 0.05 -3.53 -0.32 0.00 0.66 0.00 0.00 46.19 43.04 1xo3 s LEU 50 CO 0.65 -1.13 0.93 0.11 -1.89 0.00 0.00 176.35 175.02 1xo3 h LYS 51 N 10.14 0.36 0.00 1.98 1.57 -1.44 -3.47 116.57 125.71 1xo3 h LYS 51 Ca -0.33 -0.61 0.00 0.00 -1.87 0.00 0.00 60.65 57.83 1xo3 h LYS 51 Cb 1.15 0.23 0.00 0.00 0.08 0.00 0.00 32.23 33.69 1xo3 h LYS 51 CO 0.99 1.29 0.00 -0.85 -0.57 0.00 0.00 179.45 180.31 1xo3 n GLU 52 N -4.03 3.29 -3.13 3.15 0.28 -1.26 -5.03 120.64 113.91 1xo3 n GLU 52 Ca -0.14 0.00 -0.42 0.00 -0.16 0.00 0.00 57.16 56.44 1xo3 n GLU 52 Cb 0.89 0.00 -0.07 0.00 1.43 0.00 0.00 31.44 33.69 1xo3 n GLU 52 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 1xo3 s ARG 53 N 4.30 3.73 0.00 3.44 0.52 -1.26 -4.92 118.95 124.76 1xo3 s ARG 53 Ca 0.00 0.09 0.07 0.00 -0.52 0.00 0.00 55.73 55.37 1xo3 s ARG 53 Cb 0.00 -3.79 0.36 0.00 0.52 0.00 0.00 34.95 32.04 1xo3 s ARG 53 CO 0.00 -0.68 1.02 -2.30 0.02 0.00 0.00 175.30 173.36 1xo3 n PRO 54 N 5.97 0.12 -0.36 3.54 -0.02 -1.26 -2.56 135.00 140.43 1xo3 n PRO 54 Ca -0.02 0.17 -0.01 0.00 -2.02 0.00 0.00 63.50 61.62 1xo3 n PRO 54 Cb 0.49 -1.50 0.14 0.00 -0.02 0.00 0.00 33.50 32.60 1xo3 n PRO 54 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1xo3 h GLU 55 N 0.00 1.26 -0.00 -0.52 5.08 -1.91 -0.93 114.58 117.56 1xo3 h GLU 55 Ca 0.00 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 1xo3 h GLU 55 Cb 0.05 -0.28 0.00 0.00 0.50 0.00 0.00 28.75 29.01 1xo3 h GLU 55 CO 0.00 0.83 -0.23 1.28 -1.00 0.00 0.00 179.01 179.89 1xo3 n LEU 56 N -4.41 0.71 0.00 1.33 4.77 -1.06 -4.84 117.00 113.51 1xo3 n LEU 56 Ca 0.12 -0.10 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 1xo3 n LEU 56 Cb 0.05 -0.18 0.00 0.00 -2.33 0.00 0.00 43.42 40.96 1xo3 n LEU 56 CO 0.36 0.14 0.00 0.33 -1.33 0.00 0.00 177.39 176.89 1xo3 n PHE 57 N -0.92 -2.82 -1.76 -1.77 7.35 -0.35 -5.01 117.46 112.18 1xo3 n PHE 57 Ca 0.12 0.00 -0.30 0.00 -0.76 0.00 0.00 57.45 56.50 1xo3 n PHE 57 Cb 0.32 0.00 0.05 0.00 0.35 0.00 0.00 39.48 40.21 1xo3 n PHE 57 CO 0.00 0.00 0.00 0.96 -0.76 0.00 0.00 176.76 176.96 1xo3 s ILE 58 N 0.22 3.60 0.56 -2.13 -4.36 -1.26 -4.70 121.20 113.13 1xo3 s ILE 58 Ca 0.00 0.52 -0.21 0.00 -0.26 0.00 0.00 60.65 60.70 1xo3 s ILE 58 Cb 0.00 -3.42 -0.04 0.00 1.25 0.00 0.00 42.46 40.25 1xo3 s ILE 58 CO 0.00 -0.68 1.29 0.00 0.24 0.00 0.00 174.94 175.79 1xo3 s GLN 59 N -5.24 3.11 0.00 0.37 -2.07 -1.26 -4.73 119.66 109.84 1xo3 s GLN 59 Ca 0.58 2.07 -0.03 0.00 -1.82 0.00 0.00 55.36 56.17 1xo3 s GLN 59 Cb -0.12 -2.16 -0.12 0.00 -1.09 0.00 0.00 33.01 29.52 1xo3 s GLN 59 CO 0.53 -1.16 2.06 0.41 -1.32 0.00 0.00 175.29 175.81 1xo3 n GLY 60 N 0.67 2.08 2.03 2.60 0.00 -1.26 -3.38 105.19 107.93 1xo3 n GLY 60 Ca 0.11 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.61 1xo3 n GLY 60 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1xo3 n ASP 61 N 2.39 -0.72 0.00 1.61 9.92 -1.26 -5.00 116.55 123.49 1xo3 n ASP 61 Ca 0.18 0.41 0.00 0.00 -0.53 0.00 0.00 54.79 54.86 1xo3 n ASP 61 Cb 0.49 0.84 0.00 0.00 -0.64 0.00 0.00 41.12 41.80 1xo3 n ASP 61 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 1xo3 n SER 62 N -3.19 0.00 -3.48 -2.24 2.88 -1.22 -4.14 113.62 102.23 1xo3 n SER 62 Ca 0.00 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.41 1xo3 n SER 62 Cb 0.00 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.42 1xo3 n SER 62 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 1xo3 s VAL 63 N -0.55 0.00 0.91 2.46 -7.23 -1.26 -4.77 120.40 109.95 1xo3 s VAL 63 Ca 0.00 0.00 -0.12 0.00 -1.81 0.00 0.00 61.98 60.05 1xo3 s VAL 63 Cb 0.00 -1.00 0.14 0.00 0.56 0.00 0.00 36.38 36.08 1xo3 s VAL 63 CO 0.00 0.00 1.14 0.00 -0.31 0.00 0.00 175.10 175.93 1xo3 s ARG 64 N -2.56 1.12 0.19 4.82 1.70 -1.26 -4.31 118.95 118.65 1xo3 s ARG 64 Ca -0.02 0.30 0.13 0.00 -0.47 0.00 0.00 55.73 55.67 1xo3 s ARG 64 Cb -0.01 -1.84 0.71 0.00 -0.57 0.00 0.00 34.95 33.25 1xo3 s ARG 64 CO -0.04 -2.21 1.41 -2.30 -1.08 0.00 0.00 175.30 171.08 1xo3 n PRO 65 N -3.78 0.09 -0.06 3.89 -0.02 -1.26 -2.82 135.00 131.04 1xo3 n PRO 65 Ca 0.06 0.56 -0.06 0.00 -2.02 0.00 0.00 63.50 62.05 1xo3 n PRO 65 Cb 0.59 -1.77 -0.05 0.00 -0.02 0.00 0.00 33.50 32.25 1xo3 n PRO 65 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 1xo3 h GLY 66 N 0.22 0.00 -5.70 -1.23 0.00 -1.96 -3.46 103.07 90.94 1xo3 h GLY 66 Ca 0.00 0.00 -0.60 0.00 0.00 0.00 0.00 47.33 46.73 1xo3 h GLY 66 CO 0.00 0.00 -0.32 -0.42 0.00 0.00 0.00 176.54 175.80 1xo3 s ILE 67 N -1.85 5.28 0.17 2.60 1.01 -1.13 -0.36 121.20 126.92 1xo3 s ILE 67 Ca -0.09 0.56 0.05 0.00 0.00 0.00 0.00 60.65 61.17 1xo3 s ILE 67 Cb -0.01 -3.62 -0.04 0.00 0.01 0.00 0.00 42.46 38.81 1xo3 s ILE 67 CO 0.29 0.46 0.16 -0.76 0.00 0.00 0.00 174.94 175.08 1xo3 s LEU 68 N -0.02 3.89 -0.08 2.97 1.43 0.18 -4.01 118.68 123.05 1xo3 s LEU 68 Ca 0.18 -0.09 0.05 0.00 -1.03 0.00 0.00 54.13 53.23 1xo3 s LEU 68 Cb -0.14 -2.49 -0.00 0.00 0.03 0.00 0.00 46.19 43.59 1xo3 s LEU 68 CO 0.06 0.06 -0.23 -0.69 0.23 0.00 0.00 176.35 175.78 1xo3 s VAL 69 N -1.77 1.92 -0.34 -1.59 1.01 -1.26 0.90 120.40 119.27 1xo3 s VAL 69 Ca 0.32 -0.97 -0.20 0.00 0.00 0.00 0.00 61.98 61.13 1xo3 s VAL 69 Cb -0.10 -1.65 -0.00 0.00 0.00 0.00 0.00 36.38 34.62 1xo3 s VAL 69 CO 0.24 0.53 0.59 -0.76 0.00 0.00 0.00 175.10 175.71 1xo3 s LEU 70 N 0.15 4.25 -0.44 3.92 1.43 0.18 -1.28 118.68 126.89 1xo3 s LEU 70 Ca -0.12 0.17 -0.24 0.00 -1.03 0.00 0.00 54.13 52.91 1xo3 s LEU 70 Cb -0.16 -2.73 0.02 0.00 0.03 0.00 0.00 46.19 43.36 1xo3 s LEU 70 CO 0.06 -0.52 0.87 -0.63 0.23 0.00 0.00 176.35 176.35 1xo3 s ILE 71 N 2.58 4.56 0.00 -0.59 -1.09 0.19 -1.30 121.20 125.54 1xo3 s ILE 71 Ca 0.23 0.68 0.00 0.00 -2.23 0.00 0.00 60.65 59.33 1xo3 s ILE 71 Cb -0.15 -4.37 0.00 0.00 -1.58 0.00 0.00 42.46 36.36 1xo3 s ILE 71 CO 0.14 -0.74 0.00 -3.20 -1.23 0.00 0.00 174.94 169.91 1xo3 n ASN 72 N 6.92 0.00 -0.01 3.58 2.85 -0.44 -1.32 115.26 126.85 1xo3 n ASN 72 Ca 0.05 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.52 1xo3 n ASN 72 Cb 0.48 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.50 1xo3 n ASN 72 CO 0.00 0.00 0.00 -0.67 -2.11 0.00 0.00 177.26 174.48 1xo3 n ASP 73 N 2.60 0.00 -4.29 1.20 2.03 -1.25 -3.01 116.55 113.83 1xo3 n ASP 73 Ca 0.00 -0.03 -0.15 0.00 0.52 0.00 0.00 54.79 55.13 1xo3 n ASP 73 Cb 0.00 0.00 -0.10 0.00 -0.72 0.00 0.00 41.12 40.30 1xo3 n ASP 73 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1xo3 s ALA 74 N 0.00 1.60 -0.14 -1.67 0.00 -0.44 -4.99 121.76 116.12 1xo3 s ALA 74 Ca 0.00 -1.81 -0.29 0.00 0.00 0.00 0.00 51.96 49.87 1xo3 s ALA 74 Cb 0.00 1.02 -0.06 0.00 0.00 0.00 0.00 23.12 24.08 1xo3 s ALA 74 CO 0.00 -0.45 2.02 -0.51 0.00 0.00 0.00 175.76 176.81 1xo3 s ASP 75 N -3.27 5.94 0.21 0.00 1.11 -1.26 0.54 116.67 119.94 1xo3 s ASP 75 Ca 0.36 2.06 -0.11 0.00 0.18 0.00 0.00 52.55 55.04 1xo3 s ASP 75 Cb 0.07 -2.52 0.28 0.00 1.07 0.00 0.00 42.92 41.82 1xo3 s ASP 75 CO 0.12 -1.54 1.68 4.11 1.18 0.00 0.00 175.17 180.71 1xo3 h TRP 76 N 12.82 0.05 0.00 4.23 -0.00 -1.53 -2.18 115.95 129.34 1xo3 h TRP 76 Ca -0.42 0.04 -0.04 0.00 -0.00 0.00 0.00 58.89 58.47 1xo3 h TRP 76 Cb 1.22 0.07 -0.01 0.00 -0.00 0.00 0.00 29.16 30.45 1xo3 h TRP 76 CO 0.94 -0.11 -0.21 1.05 -0.00 0.00 0.00 178.44 180.11 1xo3 h GLU 77 N 0.16 0.00 0.00 0.12 4.11 -1.90 0.39 114.58 117.46 1xo3 h GLU 77 Ca 0.31 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.74 1xo3 h GLU 77 Cb 0.49 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.74 1xo3 h GLU 77 CO -0.47 0.21 -0.34 1.28 0.07 0.00 0.00 179.01 179.76 1xo3 n LEU 78 N -4.18 0.37 -0.06 3.06 4.77 -0.84 -4.07 117.00 116.04 1xo3 n LEU 78 Ca -0.02 0.18 -0.06 0.00 -0.03 0.00 0.00 56.01 56.09 1xo3 n LEU 78 Cb 0.27 -0.32 -0.10 0.00 -2.33 0.00 0.00 43.42 40.94 1xo3 n LEU 78 CO 0.36 0.07 -0.90 0.18 -1.33 0.00 0.00 177.39 175.76 1xo3 n LEU 79 N -1.56 0.00 0.00 2.23 4.32 -0.16 -5.01 117.00 116.82 1xo3 n LEU 79 Ca 0.06 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.05 1xo3 n LEU 79 Cb 0.35 0.30 0.00 0.00 -1.62 0.00 0.00 43.42 42.44 1xo3 n LEU 79 CO 0.33 0.30 0.00 0.61 -1.22 0.00 0.00 177.39 177.40 1xo3 n GLY 80 N 2.18 0.93 7.00 -0.72 0.00 -0.07 -5.08 105.19 109.43 1xo3 n GLY 80 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.82 1xo3 n GLY 80 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1xo3 n GLU 81 N 0.00 0.00 -0.38 1.61 0.28 -0.07 -3.36 120.64 118.72 1xo3 n GLU 81 Ca 0.00 0.00 -0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1xo3 n GLU 81 Cb 0.00 0.00 0.05 0.00 1.43 0.00 0.00 31.44 32.92 1xo3 n GLU 81 CO 0.00 0.00 0.00 1.47 -0.16 0.00 0.00 177.13 178.44 1xo3 n LEU 82 N 0.00 -0.61 -4.06 -1.84 -0.00 -1.26 -2.51 117.00 106.71 1xo3 n LEU 82 Ca 0.00 1.71 -0.43 0.00 -0.00 0.00 0.00 56.01 57.29 1xo3 n LEU 82 Cb 0.00 -0.40 0.01 0.00 -0.00 0.00 0.00 43.42 43.02 1xo3 n LEU 82 CO 0.00 -1.55 1.38 0.47 -0.00 0.00 0.00 177.39 177.70 1xo3 n ASP 83 N -5.46 5.72 -4.86 1.45 8.00 -1.21 0.06 116.55 120.24 1xo3 n ASP 83 Ca 0.11 -3.21 -0.31 0.00 0.71 0.00 0.00 54.79 52.09 1xo3 n ASP 83 Cb 0.40 -1.39 -0.05 0.00 -0.02 0.00 0.00 41.12 40.06 1xo3 n ASP 83 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 1xo3 s TYR 84 N -1.01 3.38 -1.64 1.24 6.14 -1.05 -4.97 117.35 119.44 1xo3 s TYR 84 Ca 0.35 0.18 0.16 0.00 0.64 0.00 0.00 57.07 58.40 1xo3 s TYR 84 Cb 0.03 -1.70 0.54 0.00 0.42 0.00 0.00 41.96 41.25 1xo3 s TYR 84 CO 0.03 0.56 1.43 0.00 0.64 0.00 0.00 175.55 178.22 1xo3 n GLN 85 N 0.35 2.71 -1.31 4.97 0.00 -1.26 -4.14 117.38 118.70 1xo3 n GLN 85 Ca -0.07 -2.15 0.06 0.00 0.00 0.00 0.00 57.00 54.84 1xo3 n GLN 85 Cb 0.51 -1.59 -0.03 0.00 0.00 0.00 0.00 30.24 29.13 1xo3 n GLN 85 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 1xo3 n LEU 86 N 1.02 -1.25 -4.13 2.61 7.99 -1.26 -5.00 117.00 116.99 1xo3 n LEU 86 Ca 0.20 2.33 -0.12 0.00 -0.01 0.00 0.00 56.01 58.40 1xo3 n LEU 86 Cb 0.60 -2.59 -0.11 0.00 -0.11 0.00 0.00 43.42 41.21 1xo3 n LEU 86 CO 0.16 -1.13 -0.40 0.00 -1.51 0.00 0.00 177.39 174.51 1xo3 s GLN 87 N -4.83 0.72 0.31 3.23 0.00 -1.26 -5.08 119.66 112.75 1xo3 s GLN 87 Ca 0.00 -1.08 -0.28 0.00 -0.00 0.00 0.00 55.36 53.99 1xo3 s GLN 87 Cb 0.00 -0.30 -0.10 0.00 0.00 0.00 0.00 33.01 32.61 1xo3 s GLN 87 CO 0.00 0.03 1.17 0.34 0.00 0.00 0.00 175.29 176.83 1xo3 s ASP 88 N -2.37 7.00 -1.39 12.60 2.15 -1.26 -2.29 116.67 131.11 1xo3 s ASP 88 Ca 0.02 2.41 0.00 0.00 0.43 0.00 0.00 52.55 55.41 1xo3 s ASP 88 Cb -0.02 -2.63 0.00 0.00 -0.30 0.00 0.00 42.92 39.97 1xo3 s ASP 88 CO -0.02 -0.34 0.00 0.00 -0.17 0.00 0.00 175.17 174.64 1xo3 n GLN 89 N 0.89 -1.01 -1.68 4.34 1.13 0.76 -4.93 117.38 116.87 1xo3 n GLN 89 Ca 0.00 0.89 -0.49 0.00 -1.94 0.00 0.00 57.00 55.46 1xo3 n GLN 89 Cb 0.44 -5.04 -0.05 0.00 0.11 0.00 0.00 30.24 25.70 1xo3 n GLN 89 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 1xo3 n ASP 90 N -0.38 3.21 -4.31 1.08 8.00 -0.97 -4.81 116.55 118.38 1xo3 n ASP 90 Ca -0.15 1.01 -0.46 0.00 0.71 0.00 0.00 54.79 55.90 1xo3 n ASP 90 Cb 0.51 -1.35 -0.04 0.00 -0.02 0.00 0.00 41.12 40.23 1xo3 n ASP 90 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1xo3 s SER 91 N 3.44 6.43 -0.50 -2.24 0.01 -1.16 0.42 113.70 120.10 1xo3 s SER 91 Ca 0.91 -2.26 -0.20 0.00 1.31 0.00 0.00 55.95 55.71 1xo3 s SER 91 Cb -0.75 -2.19 0.05 0.00 0.21 0.00 0.00 66.02 63.34 1xo3 s SER 91 CO 0.51 -0.70 0.68 -0.63 0.41 0.00 0.00 173.24 173.51 1xo3 s ILE 92 N 0.85 4.78 -0.12 1.44 -1.09 0.95 -1.32 121.20 126.70 1xo3 s ILE 92 Ca 0.11 -0.21 0.03 0.00 -2.23 0.00 0.00 60.65 58.35 1xo3 s ILE 92 Cb -0.20 -4.31 0.00 0.00 -1.58 0.00 0.00 42.46 36.37 1xo3 s ILE 92 CO -0.03 -0.80 -0.23 -0.22 -1.23 0.00 0.00 174.94 172.43 1xo3 s LEU 93 N 2.89 2.10 -0.34 2.97 0.20 -0.42 -0.13 118.68 125.94 1xo3 s LEU 93 Ca 0.19 -0.58 -0.19 0.00 0.69 0.00 0.00 54.13 54.24 1xo3 s LEU 93 Cb -0.17 -1.43 -0.00 0.00 -0.43 0.00 0.00 46.19 44.16 1xo3 s LEU 93 CO 0.15 0.12 0.59 -0.36 -0.29 0.00 0.00 176.35 176.56 1xo3 s PHE 94 N 0.56 3.17 -0.34 5.38 0.40 -0.08 -0.64 117.98 126.44 1xo3 s PHE 94 Ca -0.13 0.33 0.00 0.00 -0.60 0.00 0.00 56.93 56.53 1xo3 s PHE 94 Cb -0.17 -3.03 0.08 0.00 0.51 0.00 0.00 43.02 40.41 1xo3 s PHE 94 CO 0.04 -0.57 0.05 0.42 0.70 0.00 0.00 175.22 175.87 1xo3 s ILE 95 N 2.57 2.74 -0.24 0.64 -1.09 0.26 -0.91 121.20 125.17 1xo3 s ILE 95 Ca 0.22 -1.89 -0.29 0.00 -2.23 0.00 0.00 60.65 56.47 1xo3 s ILE 95 Cb -0.15 -2.79 -0.01 0.00 -1.58 0.00 0.00 42.46 37.93 1xo3 s ILE 95 CO 0.14 -0.40 1.33 -0.55 -1.23 0.00 0.00 174.94 174.23 1xo3 s SER 96 N 1.29 6.73 0.00 3.58 0.15 -1.21 0.52 113.70 124.74 1xo3 s SER 96 Ca 0.03 1.42 0.19 0.00 0.70 0.00 0.00 55.95 58.29 1xo3 s SER 96 Cb -0.20 -2.54 0.61 0.00 -1.71 0.00 0.00 66.02 62.18 1xo3 s SER 96 CO -0.05 -1.00 1.47 1.07 1.20 0.00 0.00 173.24 175.94 1xo3 n THR 97 N 5.95 0.33 -1.92 6.45 5.66 0.52 -4.63 114.28 126.65 1xo3 n THR 97 Ca 0.15 -0.46 -0.42 0.00 -3.05 0.00 0.00 64.05 60.27 1xo3 n THR 97 Cb 0.46 0.46 -0.03 0.00 -1.55 0.00 0.00 70.33 69.67 1xo3 n THR 97 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 1xo3 s LEU 98 N -1.43 4.36 0.08 1.09 1.43 -1.22 -4.98 118.68 118.01 1xo3 s LEU 98 Ca 0.32 2.40 -0.06 0.00 -1.03 0.00 0.00 54.13 55.77 1xo3 s LEU 98 Cb 0.18 -3.54 -0.02 0.00 0.03 0.00 0.00 46.19 42.84 1xo3 s LEU 98 CO 0.26 -0.94 0.11 -1.38 0.23 0.00 0.00 176.35 174.63 1xo3 s HIS 99 N 3.65 0.33 0.00 0.29 -3.43 -1.26 -4.94 115.29 109.92 1xo3 s HIS 99 Ca 0.76 -0.80 0.00 0.00 -0.80 0.00 0.00 55.06 54.23 1xo3 s HIS 99 Cb -0.37 -0.20 0.00 0.00 -1.43 0.00 0.00 32.58 30.58 1xo3 s HIS 99 CO 0.33 -0.49 0.00 0.41 -2.00 0.00 0.00 174.74 172.98 1xo3 n GLY 100 N -0.01 2.58 0.00 -1.38 0.00 -1.26 -5.28 105.19 99.84 1xo3 n GLY 100 Ca -0.14 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.28 1xo3 n GLY 100 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93