#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 3.43 0.02 -0.43 0.00 -1.26 -4.92 121.76 118.60 1xo3 s ALA 2 Ca 0.00 -0.87 -0.26 0.00 0.00 0.00 0.00 51.96 50.84 1xo3 s ALA 2 Cb 0.00 -1.50 -0.17 0.00 0.00 0.00 0.00 23.12 21.45 1xo3 s ALA 2 CO 0.00 0.65 1.31 0.00 0.00 0.00 0.00 175.76 177.72 1xo3 h ALA 3 N 4.50 -0.41 -0.05 0.00 0.00 -1.87 -3.39 119.26 118.05 1xo3 h ALA 3 Ca -0.50 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.24 1xo3 h ALA 3 Cb 1.19 0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.13 1xo3 h ALA 3 CO 0.58 -0.58 0.00 -0.35 0.00 0.00 0.00 179.25 178.90 1xo3 n PRO 4 N -5.15 0.00 -3.68 0.00 -0.04 -1.26 -5.01 135.00 119.86 1xo3 n PRO 4 Ca -0.10 0.49 -0.14 0.00 -0.04 0.00 0.00 63.50 63.72 1xo3 n PRO 4 Cb 0.25 -1.15 -0.07 0.00 -0.04 0.00 0.00 33.50 32.49 1xo3 n PRO 4 CO 0.00 0.00 0.00 -0.48 -0.04 0.00 0.00 175.50 174.98 1xo3 s LEU 5 N -3.95 0.42 -0.04 1.53 0.05 -1.26 -5.01 118.68 110.41 1xo3 s LEU 5 Ca 0.00 0.18 0.07 0.00 0.05 0.00 0.00 54.13 54.42 1xo3 s LEU 5 Cb 0.00 1.66 -0.01 0.00 -2.05 0.00 0.00 46.19 45.79 1xo3 s LEU 5 CO 0.00 -0.55 -0.24 0.00 -0.55 0.00 0.00 176.35 175.01 1xo3 s VAL 7 N -0.31 3.21 -0.17 0.00 -7.23 -1.08 -2.40 120.40 112.42 1xo3 s VAL 7 Ca 0.02 -1.38 -0.02 0.00 -1.81 0.00 0.00 61.98 58.79 1xo3 s VAL 7 Cb -0.12 -2.51 -0.01 0.00 0.56 0.00 0.00 36.38 34.31 1xo3 s VAL 7 CO 0.02 0.08 -0.10 -0.75 -0.31 0.00 0.00 175.10 174.04 1xo3 s LYS 8 N -2.27 3.37 -0.18 4.82 2.20 0.11 -2.78 119.74 125.01 1xo3 s LYS 8 Ca 0.21 -0.66 -0.05 0.00 -0.36 0.00 0.00 55.97 55.11 1xo3 s LYS 8 Cb -0.11 -2.79 -0.03 0.00 -1.51 0.00 0.00 37.83 33.39 1xo3 s LYS 8 CO 0.13 0.02 -0.00 0.08 -0.36 0.00 0.00 175.35 175.22 1xo3 s VAL 9 N 0.87 4.11 0.06 4.02 1.01 -0.40 0.73 120.40 130.80 1xo3 s VAL 9 Ca -0.03 -0.27 -0.07 0.00 0.00 0.00 0.00 61.98 61.61 1xo3 s VAL 9 Cb -0.15 -2.83 -0.01 0.00 0.00 0.00 0.00 36.38 33.39 1xo3 s VAL 9 CO 0.00 0.46 0.13 -0.70 0.00 0.00 0.00 175.10 175.00 1xo3 s GLU 10 N 0.56 0.72 0.47 2.72 2.12 -0.61 0.85 118.70 125.53 1xo3 s GLU 10 Ca -0.01 -0.91 -0.15 0.00 0.36 0.00 0.00 54.97 54.26 1xo3 s GLU 10 Cb -0.14 0.29 -0.07 0.00 0.26 0.00 0.00 34.13 34.46 1xo3 s GLU 10 CO 0.02 -0.20 0.91 -0.59 -0.54 0.00 0.00 175.26 174.86 1xo3 s PHE 11 N -3.41 3.46 0.05 5.30 -0.71 -1.04 -1.95 117.98 119.68 1xo3 s PHE 11 Ca 0.02 1.32 0.00 0.00 -1.04 0.00 0.00 56.93 57.23 1xo3 s PHE 11 Cb 0.03 -2.67 0.00 0.00 -1.21 0.00 0.00 43.02 39.17 1xo3 s PHE 11 CO -0.08 -0.27 0.00 0.41 -1.34 0.00 0.00 175.22 173.93 1xo3 n GLY 12 N -1.46 -0.17 2.27 1.99 0.00 0.12 -4.76 105.19 103.18 1xo3 n GLY 12 Ca 0.05 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.80 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 1.90 4.00 2.33 -0.02 0.00 -1.12 -4.50 105.19 107.77 1xo3 n GLY 13 Ca 0.00 -1.58 -0.14 0.00 0.00 0.00 0.00 46.02 44.29 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 2.24 0.45 0.22 -0.02 0.00 -1.26 -3.61 105.19 103.21 1xo3 n GLY 14 Ca 0.56 -0.31 0.10 0.00 0.00 0.00 0.00 46.02 46.37 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 0.41 1.07 0.00 4.61 0.00 -1.81 -2.65 119.26 120.90 1xo3 h ALA 15 Ca -0.32 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.36 1xo3 h ALA 15 Cb 1.13 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.88 1xo3 h ALA 15 CO 0.41 0.29 -0.10 1.05 0.00 0.00 0.00 179.25 180.90 1xo3 h GLU 16 N 0.00 0.00 0.00 0.00 4.11 -1.90 -0.26 114.58 116.52 1xo3 h GLU 16 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1xo3 h GLU 16 Cb 0.69 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.94 1xo3 h GLU 16 CO 0.03 0.10 0.00 1.28 0.07 0.00 0.00 179.01 180.49 1xo3 n LEU 17 N -4.10 0.31 0.12 3.06 4.77 -1.00 0.21 117.00 120.37 1xo3 n LEU 17 Ca -0.02 0.59 0.09 0.00 -0.03 0.00 0.00 56.01 56.64 1xo3 n LEU 17 Cb 0.18 -0.56 0.03 0.00 -2.33 0.00 0.00 43.42 40.74 1xo3 n LEU 17 CO 0.33 -0.47 0.20 -0.07 -1.33 0.00 0.00 177.39 176.04 1xo3 h LEU 18 N 0.00 0.00 -3.06 2.23 3.38 -1.21 -3.38 115.31 113.27 1xo3 h LEU 18 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1xo3 h LEU 18 Cb 0.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1xo3 h LEU 18 CO 0.00 0.12 0.00 0.49 0.09 0.00 0.00 178.44 179.14 1xo3 n PHE 19 N -2.85 0.33 -1.06 1.13 3.72 0.13 -0.64 117.46 118.23 1xo3 n PHE 19 Ca -0.00 -0.79 -0.02 0.00 -0.05 0.00 0.00 57.45 56.59 1xo3 n PHE 19 Cb 0.60 -0.16 -0.01 0.00 -0.94 0.00 0.00 39.48 38.97 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 -0.69 -3.82 0.00 4.37 2.03 -0.41 -3.21 116.55 114.82 1xo3 n ASP 20 Ca 0.14 0.05 0.00 0.00 0.52 0.00 0.00 54.79 55.50 1xo3 n ASP 20 Cb 0.60 -1.50 0.00 0.00 -0.72 0.00 0.00 41.12 39.50 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 -1.98 0.75 3.72 0.27 0.00 0.13 -4.99 105.19 103.09 1xo3 n GLY 21 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.00 4.37 0.00 1.61 0.11 -1.20 -4.95 120.40 118.34 1xo3 s VAL 22 Ca 0.00 1.78 0.00 0.00 -2.93 0.00 0.00 61.98 60.83 1xo3 s VAL 22 Cb 0.00 -4.14 0.00 0.00 -1.53 0.00 0.00 36.38 30.71 1xo3 s VAL 22 CO 0.00 0.18 0.00 0.29 -3.33 0.00 0.00 175.10 172.24 1xo3 n LYS 23 N 3.53 0.00 -2.70 1.54 5.02 -1.26 -4.46 118.16 119.83 1xo3 n LYS 23 Ca 0.06 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.92 1xo3 n LYS 23 Cb 0.48 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.47 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 0.00 4.03 -0.19 1.97 2.20 -1.26 -2.51 119.74 123.99 1xo3 s LYS 24 Ca 0.00 0.95 0.01 0.00 -0.36 0.00 0.00 55.97 56.57 1xo3 s LYS 24 Cb 0.00 -3.74 0.04 0.00 -1.51 0.00 0.00 37.83 32.62 1xo3 s LYS 24 CO 0.00 -0.87 -0.10 -1.58 -0.36 0.00 0.00 175.35 172.45 1xo3 s HIS 25 N 3.52 2.27 0.13 4.03 2.46 0.25 -4.99 115.29 122.95 1xo3 s HIS 25 Ca 0.43 -1.47 -0.18 0.00 0.47 0.00 0.00 55.06 54.30 1xo3 s HIS 25 Cb -0.12 -1.58 -0.07 0.00 -0.13 0.00 0.00 32.58 30.67 1xo3 s HIS 25 CO 0.15 -0.72 0.60 -1.14 -2.47 0.00 0.00 174.74 171.16 1xo3 s GLN 26 N 1.44 4.15 -0.01 2.88 0.74 -1.26 -1.27 119.66 126.33 1xo3 s GLN 26 Ca -0.00 0.70 -0.01 0.00 0.05 0.00 0.00 55.36 56.10 1xo3 s GLN 26 Cb -0.16 -3.07 0.01 0.00 1.10 0.00 0.00 33.01 30.89 1xo3 s GLN 26 CO -0.08 0.54 0.02 0.54 -0.55 0.00 0.00 175.29 175.76 1xo3 s VAL 27 N -1.31 -0.01 -0.15 1.34 0.11 -1.12 -4.99 120.40 114.28 1xo3 s VAL 27 Ca 0.35 0.03 -0.05 0.00 -2.93 0.00 0.00 61.98 59.38 1xo3 s VAL 27 Cb -0.18 -0.04 -0.04 0.00 -1.53 0.00 0.00 36.38 34.59 1xo3 s VAL 27 CO 0.20 0.01 0.03 0.00 -3.33 0.00 0.00 175.10 172.01 1xo3 s ALA 28 N 0.17 3.30 0.34 1.54 0.00 -1.26 -2.63 121.76 123.21 1xo3 s ALA 28 Ca -0.01 -0.77 -0.25 0.00 0.00 0.00 0.00 51.96 50.93 1xo3 s ALA 28 Cb -0.02 -1.73 -0.10 0.00 0.00 0.00 0.00 23.12 21.27 1xo3 s ALA 28 CO -0.00 0.31 0.94 -0.51 0.00 0.00 0.00 175.76 176.49 1xo3 s LEU 29 N 0.00 4.26 0.02 0.00 2.01 -1.06 -4.99 118.68 118.92 1xo3 s LEU 29 Ca 0.04 1.79 -0.25 0.00 0.01 0.00 0.00 54.13 55.72 1xo3 s LEU 29 Cb -0.13 -4.11 -0.17 0.00 0.01 0.00 0.00 46.19 41.80 1xo3 s LEU 29 CO 0.02 -0.12 1.34 -0.65 1.01 0.00 0.00 176.35 177.94 1xo3 h PRO 30 N 2.92 -0.30 0.00 1.29 0.11 -1.95 -3.38 132.00 130.69 1xo3 h PRO 30 Ca -0.47 0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1xo3 h PRO 30 Cb 1.19 0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1xo3 h PRO 30 CO 0.64 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.85 1xo3 n GLY 31 N -0.41 4.05 0.00 -0.55 0.00 -1.26 -4.56 105.19 102.46 1xo3 n GLY 31 Ca -0.09 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.08 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 0.00 -0.04 1.61 6.02 -1.26 -4.76 117.38 118.95 1xo3 n GLN 32 Ca 0.00 0.20 -0.18 0.00 -0.01 0.00 0.00 57.00 57.01 1xo3 n GLN 32 Cb 0.00 -0.64 -0.14 0.00 1.02 0.00 0.00 30.24 30.49 1xo3 n GLN 32 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 177.06 175.20 1xo3 n GLU 33 N -1.62 0.71 -2.80 -1.09 -0.00 -1.26 -5.06 120.64 109.52 1xo3 n GLU 33 Ca 0.00 0.22 -0.05 0.00 -0.00 0.00 0.00 57.16 57.33 1xo3 n GLU 33 Cb 0.00 -1.66 0.01 0.00 -0.00 0.00 0.00 31.44 29.78 1xo3 n GLU 33 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1xo3 n GLU 34 N -3.31 -2.85 -0.11 3.44 1.02 -1.26 -4.87 120.64 112.70 1xo3 n GLU 34 Ca -0.33 2.40 0.02 0.00 -0.02 0.00 0.00 57.16 59.23 1xo3 n GLU 34 Cb 1.04 -5.56 0.07 0.00 -0.02 0.00 0.00 31.44 26.97 1xo3 n GLU 34 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 1xo3 n PRO 35 N 0.11 1.47 -0.59 3.49 -0.04 -1.26 -4.06 135.00 134.12 1xo3 n PRO 35 Ca 0.07 -0.57 -0.10 0.00 -0.04 0.00 0.00 63.50 62.86 1xo3 n PRO 35 Cb 0.28 -1.27 0.10 0.00 -0.04 0.00 0.00 33.50 32.57 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 -0.01 1.46 -0.83 0.54 5.03 -1.26 -4.70 117.44 117.68 1xo3 n TRP 36 Ca 0.05 -1.08 -0.32 0.00 3.03 0.00 0.00 57.50 59.18 1xo3 n TRP 36 Cb 0.22 -0.56 0.15 0.00 -1.03 0.00 0.00 31.31 30.08 1xo3 n TRP 36 CO 0.00 0.00 0.00 -0.25 -0.03 0.00 0.00 177.69 177.41 1xo3 n ASP 37 N -0.25 0.19 -0.30 -0.99 9.92 -1.26 -4.62 116.55 119.25 1xo3 n ASP 37 Ca 0.28 0.46 0.06 0.00 -0.53 0.00 0.00 54.79 55.06 1xo3 n ASP 37 Cb 1.04 -1.45 0.27 0.00 -0.64 0.00 0.00 41.12 40.35 1xo3 n ASP 37 CO 0.00 0.00 0.00 0.40 0.13 0.00 0.00 177.20 177.73 1xo3 h ILE 38 N -1.54 0.99 -0.55 0.53 1.08 -1.60 -0.34 117.51 116.07 1xo3 h ILE 38 Ca -0.44 -0.32 -0.02 0.00 -0.39 0.00 0.00 64.86 63.69 1xo3 h ILE 38 Cb 1.28 -0.04 -0.03 0.00 -3.07 0.00 0.00 36.82 34.97 1xo3 h ILE 38 CO 0.42 0.17 0.26 0.08 -0.69 0.00 0.00 178.15 178.39 1xo3 h ARG 39 N 0.94 0.78 0.07 2.37 -0.00 -1.09 -0.23 114.38 117.21 1xo3 h ARG 39 Ca 0.42 -0.10 -0.24 0.00 -0.00 0.00 0.00 59.98 60.06 1xo3 h ARG 39 Cb 0.37 -0.15 -0.00 0.00 -0.00 0.00 0.00 29.97 30.18 1xo3 h ARG 39 CO -0.18 0.61 -1.10 -0.91 -0.00 0.00 0.00 179.97 178.39 1xo3 h ASN 40 N 0.78 0.35 0.20 0.08 2.35 -1.38 -2.84 115.58 115.12 1xo3 h ASN 40 Ca 0.19 -0.34 -0.09 0.00 -0.55 0.00 0.00 56.30 55.51 1xo3 h ASN 40 Cb 0.09 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.34 1xo3 h ASN 40 CO -0.03 1.23 -0.34 -0.07 -1.65 0.00 0.00 177.43 176.57 1xo3 h LEU 41 N 0.09 0.21 -0.90 1.61 -0.00 -0.99 -1.20 115.31 114.13 1xo3 h LEU 41 Ca -0.09 -0.08 0.06 0.00 -0.00 0.00 0.00 57.88 57.78 1xo3 h LEU 41 Cb 1.81 -0.06 -0.06 0.00 -0.00 0.00 0.00 40.66 42.35 1xo3 h LEU 41 CO 0.18 0.54 0.57 0.25 -0.00 0.00 0.00 178.44 179.98 1xo3 h LEU 42 N 0.18 0.89 -0.25 1.67 6.46 -0.93 0.12 115.31 123.45 1xo3 h LEU 42 Ca 0.02 0.02 -0.03 0.00 -0.12 0.00 0.00 57.88 57.76 1xo3 h LEU 42 Cb 0.69 -0.17 -0.01 0.00 -0.73 0.00 0.00 40.66 40.44 1xo3 h LEU 42 CO 0.05 0.57 0.02 0.58 -0.62 0.00 0.00 178.44 179.04 1xo3 h VAL 43 N 1.03 1.24 -0.55 1.05 2.07 -1.03 0.62 116.25 120.67 1xo3 h VAL 43 Ca 0.39 -0.83 0.05 0.00 0.82 0.00 0.00 66.70 67.13 1xo3 h VAL 43 Cb 0.18 1.30 -0.05 0.00 -1.52 0.00 0.00 31.29 31.20 1xo3 h VAL 43 CO -0.18 0.26 0.27 -0.25 0.02 0.00 0.00 177.57 177.70 1xo3 h TRP 44 N 0.22 0.50 -0.28 1.57 2.91 -0.87 0.37 115.95 120.38 1xo3 h TRP 44 Ca 0.07 0.02 -0.11 0.00 1.13 0.00 0.00 58.89 60.00 1xo3 h TRP 44 Cb 0.37 -0.14 -0.00 0.00 -0.51 0.00 0.00 29.16 28.87 1xo3 h TRP 44 CO 0.03 0.23 -0.27 0.82 -1.03 0.00 0.00 178.44 178.22 1xo3 h ILE 45 N 0.52 1.30 0.54 2.65 2.04 -0.48 -2.48 117.51 121.61 1xo3 h ILE 45 Ca 0.25 -1.43 -0.03 0.00 1.00 0.00 0.00 64.86 64.65 1xo3 h ILE 45 Cb 0.17 1.60 0.01 0.00 -0.74 0.00 0.00 36.82 37.86 1xo3 h ILE 45 CO -0.18 0.45 -0.26 0.50 0.00 0.00 0.00 178.15 178.66 1xo3 h LYS 46 N 0.40 -0.70 0.09 2.37 3.64 0.60 0.56 116.57 123.54 1xo3 h LYS 46 Ca 0.05 0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.47 1xo3 h LYS 46 Cb 0.83 0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.81 1xo3 h LYS 46 CO 0.07 -0.39 -0.04 0.87 -2.27 0.00 0.00 179.45 177.68 1xo3 h LYS 47 N -0.96 -0.12 0.03 1.90 1.57 -1.03 -3.02 116.57 114.95 1xo3 h LYS 47 Ca -0.07 0.01 -0.34 0.00 -1.87 0.00 0.00 60.65 58.37 1xo3 h LYS 47 Cb 0.63 0.03 -0.05 0.00 0.08 0.00 0.00 32.23 32.91 1xo3 h LYS 47 CO 0.12 0.20 -2.06 -1.71 -0.57 0.00 0.00 179.45 175.43 1xo3 n ASN 48 N -5.00 1.16 -0.10 0.86 5.15 -0.94 -4.62 115.26 111.78 1xo3 n ASN 48 Ca -0.08 0.18 -0.18 0.00 -0.60 0.00 0.00 54.58 53.90 1xo3 n ASN 48 Cb 0.20 -0.07 -0.13 0.00 -0.53 0.00 0.00 39.78 39.25 1xo3 n ASN 48 CO 0.00 0.00 0.00 -0.11 1.40 0.00 0.00 177.26 178.55 1xo3 n LEU 49 N -3.12 2.64 -4.64 1.20 7.94 -0.29 -4.87 117.00 115.87 1xo3 n LEU 49 Ca -0.29 -0.04 -0.43 0.00 -1.11 0.00 0.00 56.01 54.14 1xo3 n LEU 49 Cb 1.07 -0.82 -0.02 0.00 0.53 0.00 0.00 43.42 44.17 1xo3 n LEU 49 CO 0.41 0.88 1.29 -0.22 -1.11 0.00 0.00 177.39 178.64 1xo3 s LEU 50 N -6.54 3.96 0.01 -1.96 1.98 0.18 -3.98 118.68 112.34 1xo3 s LEU 50 Ca -0.30 1.60 0.22 0.00 -2.89 0.00 0.00 54.13 52.76 1xo3 s LEU 50 Cb 0.08 -3.53 -0.15 0.00 0.66 0.00 0.00 46.19 43.24 1xo3 s LEU 50 CO 0.66 -1.14 0.84 0.29 -1.89 0.00 0.00 176.35 175.11 1xo3 n LYS 51 N 7.43 0.28 0.00 1.98 5.02 0.19 -4.85 118.16 128.20 1xo3 n LYS 51 Ca 0.17 -0.06 0.00 0.00 -2.02 0.00 0.00 58.31 56.41 1xo3 n LYS 51 Cb 0.45 -1.54 0.00 0.00 -0.02 0.00 0.00 35.03 33.92 1xo3 n LYS 51 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 1xo3 n GLU 52 N -1.87 2.26 -2.95 1.97 0.28 -1.26 -5.09 120.64 113.98 1xo3 n GLU 52 Ca 0.01 0.00 -0.41 0.00 -0.16 0.00 0.00 57.16 56.60 1xo3 n GLU 52 Cb 0.43 0.00 -0.05 0.00 1.43 0.00 0.00 31.44 33.26 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 4.75 4.24 0.48 3.44 0.52 -1.26 -4.93 118.95 126.19 1xo3 s ARG 53 Ca 0.00 0.88 0.32 0.00 -0.52 0.00 0.00 55.73 56.41 1xo3 s ARG 53 Cb 0.00 -3.60 1.33 0.00 0.52 0.00 0.00 34.95 33.20 1xo3 s ARG 53 CO 0.00 -0.37 1.93 -1.35 0.02 0.00 0.00 175.30 175.54 1xo3 h PRO 54 N 7.49 0.00 0.00 3.54 0.11 -1.92 -2.59 132.00 138.63 1xo3 h PRO 54 Ca -0.28 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.75 1xo3 h PRO 54 Cb 1.12 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 1xo3 h PRO 54 CO 0.83 0.00 -0.38 1.05 -0.21 0.00 0.00 178.00 179.29 1xo3 h GLU 55 N 0.00 0.00 0.00 1.05 9.09 -1.92 -2.24 114.58 120.57 1xo3 h GLU 55 Ca 0.00 0.00 -0.09 0.00 0.05 0.00 0.00 59.36 59.32 1xo3 h GLU 55 Cb 0.43 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.52 1xo3 h GLU 55 CO 0.00 0.38 -0.75 -0.07 0.05 0.00 0.00 179.01 178.63 1xo3 h LEU 56 N 0.00 0.00 0.00 3.06 3.38 -1.91 -3.46 115.31 116.38 1xo3 h LEU 56 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1xo3 h LEU 56 Cb 0.99 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.74 1xo3 h LEU 56 CO 0.05 0.35 0.00 0.33 0.09 0.00 0.00 178.44 179.26 1xo3 n PHE 57 N -3.02 -2.70 -1.57 1.13 7.35 -0.84 -4.91 117.46 112.89 1xo3 n PHE 57 Ca -0.01 0.00 -0.30 0.00 -0.76 0.00 0.00 57.45 56.37 1xo3 n PHE 57 Cb 0.70 0.00 0.07 0.00 0.35 0.00 0.00 39.48 40.60 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 3.50 0.52 -2.13 -4.36 -1.24 -4.75 121.20 112.52 1xo3 s ILE 58 Ca 0.00 0.49 -0.22 0.00 -0.26 0.00 0.00 60.65 60.66 1xo3 s ILE 58 Cb 0.00 -3.24 -0.06 0.00 1.25 0.00 0.00 42.46 40.41 1xo3 s ILE 58 CO 0.00 -0.64 1.32 0.00 0.24 0.00 0.00 174.94 175.86 1xo3 s GLN 59 N -5.12 3.34 0.00 0.37 -2.07 -1.26 -4.73 119.66 110.19 1xo3 s GLN 59 Ca 0.59 2.15 -0.02 0.00 -1.82 0.00 0.00 55.36 56.26 1xo3 s GLN 59 Cb -0.14 -2.33 -0.11 0.00 -1.09 0.00 0.00 33.01 29.34 1xo3 s GLN 59 CO 0.54 -1.01 2.05 0.41 -1.32 0.00 0.00 175.29 175.97 1xo3 n GLY 60 N 0.65 2.10 0.93 2.60 0.00 -1.26 -2.68 105.19 107.53 1xo3 n GLY 60 Ca 0.09 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.63 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 2.30 0.00 0.00 1.61 9.92 -1.26 -5.10 116.55 124.02 1xo3 n ASP 61 Ca 0.17 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.43 1xo3 n ASP 61 Cb 0.49 0.04 0.00 0.00 -0.64 0.00 0.00 41.12 41.01 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 -1.96 0.00 -3.64 -2.24 2.88 -1.09 -4.48 113.62 103.08 1xo3 n SER 62 Ca 0.00 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.51 1xo3 n SER 62 Cb 0.00 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.39 1xo3 n SER 62 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1xo3 s VAL 63 N 0.00 0.00 0.78 2.46 0.11 -1.26 -4.73 120.40 117.76 1xo3 s VAL 63 Ca 0.00 0.00 -0.11 0.00 -2.93 0.00 0.00 61.98 58.94 1xo3 s VAL 63 Cb 0.00 -1.00 0.06 0.00 -1.53 0.00 0.00 36.38 33.91 1xo3 s VAL 63 CO 0.00 0.00 1.08 0.00 -3.33 0.00 0.00 175.10 172.85 1xo3 s ARG 64 N 0.87 2.23 0.62 1.54 1.70 -1.26 -4.63 118.95 120.03 1xo3 s ARG 64 Ca -0.04 0.96 0.35 0.00 -0.47 0.00 0.00 55.73 56.53 1xo3 s ARG 64 Cb -0.04 -1.91 2.04 0.00 -0.57 0.00 0.00 34.95 34.47 1xo3 s ARG 64 CO -0.12 -1.60 2.29 -1.35 -1.08 0.00 0.00 175.30 173.44 1xo3 h PRO 65 N -1.09 0.00 -0.52 3.89 0.11 -2.01 -1.96 132.00 130.41 1xo3 h PRO 65 Ca -0.45 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.61 1xo3 h PRO 65 Cb 1.24 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.33 1xo3 h PRO 65 CO 0.55 0.00 0.16 0.78 -0.21 0.00 0.00 178.00 179.28 1xo3 h GLY 66 N 0.00 0.88 -6.07 -0.55 0.00 -1.95 -3.41 103.07 91.97 1xo3 h GLY 66 Ca 0.00 -0.53 -0.60 0.00 0.00 0.00 0.00 47.33 46.21 1xo3 h GLY 66 CO -0.00 0.49 -0.42 -0.42 0.00 0.00 0.00 176.54 176.19 1xo3 s ILE 67 N -5.39 5.37 -0.24 2.60 1.01 -0.74 -0.33 121.20 123.48 1xo3 s ILE 67 Ca -0.13 0.34 -0.15 0.00 0.00 0.00 0.00 60.65 60.72 1xo3 s ILE 67 Cb 0.12 -3.53 -0.04 0.00 0.01 0.00 0.00 42.46 39.02 1xo3 s ILE 67 CO 0.79 0.43 0.35 -0.76 0.00 0.00 0.00 174.94 175.76 1xo3 s LEU 68 N 0.30 4.09 -0.24 2.97 1.43 0.24 -4.38 118.68 123.10 1xo3 s LEU 68 Ca 0.12 0.35 -0.03 0.00 -1.03 0.00 0.00 54.13 53.54 1xo3 s LEU 68 Cb -0.12 -2.41 0.01 0.00 0.03 0.00 0.00 46.19 43.70 1xo3 s LEU 68 CO 0.01 -0.11 -0.03 -0.69 0.23 0.00 0.00 176.35 175.76 1xo3 s VAL 69 N 1.63 3.21 -0.13 -1.59 1.01 -1.25 0.47 120.40 123.77 1xo3 s VAL 69 Ca 0.15 -0.78 -0.29 0.00 0.00 0.00 0.00 61.98 61.06 1xo3 s VAL 69 Cb -0.15 -2.57 -0.02 0.00 0.00 0.00 0.00 36.38 33.64 1xo3 s VAL 69 CO 0.08 0.27 1.18 -0.76 0.00 0.00 0.00 175.10 175.87 1xo3 s LEU 70 N 1.41 4.21 -0.52 3.92 1.02 -0.36 -0.60 118.68 127.76 1xo3 s LEU 70 Ca 0.03 1.67 -0.19 0.00 0.02 0.00 0.00 54.13 55.66 1xo3 s LEU 70 Cb -0.16 -3.55 0.07 0.00 0.02 0.00 0.00 46.19 42.57 1xo3 s LEU 70 CO -0.03 -0.65 0.61 -0.63 0.02 0.00 0.00 176.35 175.66 1xo3 s ILE 71 N 2.83 4.92 0.00 -0.59 -1.09 0.11 -1.66 121.20 125.72 1xo3 s ILE 71 Ca 0.53 -0.68 0.00 0.00 -2.23 0.00 0.00 60.65 58.27 1xo3 s ILE 71 Cb -0.21 -4.31 0.00 0.00 -1.58 0.00 0.00 42.46 36.36 1xo3 s ILE 71 CO 0.16 -0.83 0.00 -3.20 -1.23 0.00 0.00 174.94 169.84 1xo3 n ASN 72 N 6.05 0.00 0.00 3.58 2.85 -0.67 -2.85 115.26 124.22 1xo3 n ASN 72 Ca -0.08 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.39 1xo3 n ASN 72 Cb 0.44 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.46 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 3.40 0.00 -3.65 1.20 2.03 -1.26 -3.03 116.55 115.23 1xo3 n ASP 73 Ca 0.00 0.00 -0.08 0.00 0.52 0.00 0.00 54.79 55.23 1xo3 n ASP 73 Cb 0.00 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.38 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 -1.53 -0.23 -1.67 0.00 -1.13 -5.05 121.76 112.15 1xo3 s ALA 74 Ca 0.00 0.24 -0.31 0.00 0.00 0.00 0.00 51.96 51.89 1xo3 s ALA 74 Cb 0.00 0.74 -0.08 0.00 0.00 0.00 0.00 23.12 23.78 1xo3 s ALA 74 CO 0.00 -0.91 2.16 -0.25 0.00 0.00 0.00 175.76 176.77 1xo3 n ASP 75 N -0.40 2.99 -0.21 0.00 9.92 -1.26 0.09 116.55 127.68 1xo3 n ASP 75 Ca -0.09 0.39 -0.02 0.00 -0.53 0.00 0.00 54.79 54.54 1xo3 n ASP 75 Cb 0.62 -1.45 0.05 0.00 -0.64 0.00 0.00 41.12 39.70 1xo3 n ASP 75 CO 0.00 0.00 0.00 4.11 0.13 0.00 0.00 177.20 181.44 1xo3 h TRP 76 N 13.40 -0.49 0.00 1.24 -0.00 -1.20 -2.34 115.95 126.56 1xo3 h TRP 76 Ca -0.38 0.06 -0.03 0.00 -0.00 0.00 0.00 58.89 58.54 1xo3 h TRP 76 Cb 1.27 0.31 -0.00 0.00 -0.00 0.00 0.00 29.16 30.73 1xo3 h TRP 76 CO 0.94 -0.31 -0.16 1.05 -0.00 0.00 0.00 178.44 179.97 1xo3 h GLU 77 N -0.05 0.00 -0.01 0.12 4.11 -1.90 0.13 114.58 116.99 1xo3 h GLU 77 Ca 0.29 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.72 1xo3 h GLU 77 Cb 0.50 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.75 1xo3 h GLU 77 CO -0.66 0.16 -0.22 1.28 0.07 0.00 0.00 179.01 179.63 1xo3 n LEU 78 N -3.91 1.10 -0.04 3.06 4.77 -0.90 -4.06 117.00 117.02 1xo3 n LEU 78 Ca -0.02 -0.30 -0.04 0.00 -0.03 0.00 0.00 56.01 55.62 1xo3 n LEU 78 Cb 0.25 -0.10 -0.07 0.00 -2.33 0.00 0.00 43.42 41.17 1xo3 n LEU 78 CO 0.33 0.20 -0.78 0.18 -1.33 0.00 0.00 177.39 175.99 1xo3 n LEU 79 N -0.52 0.00 0.00 2.23 4.32 0.15 -5.02 117.00 118.16 1xo3 n LEU 79 Ca 0.13 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.12 1xo3 n LEU 79 Cb 0.35 0.21 0.00 0.00 -1.62 0.00 0.00 43.42 42.36 1xo3 n LEU 79 CO 0.25 0.21 0.00 0.61 -1.22 0.00 0.00 177.39 177.23 1xo3 n GLY 80 N 2.44 0.93 7.00 -0.72 0.00 0.22 -5.08 105.19 109.98 1xo3 n GLY 80 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.37 1.61 0.28 -0.17 -3.13 120.64 118.86 1xo3 n GLU 81 Ca 0.00 0.00 0.02 0.00 -0.16 0.00 0.00 57.16 57.02 1xo3 n GLU 81 Cb 0.00 0.00 0.08 0.00 1.43 0.00 0.00 31.44 32.95 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 -0.52 -3.95 -1.84 -0.00 -1.26 -2.60 117.00 106.83 1xo3 n LEU 82 Ca 0.00 1.72 -0.43 0.00 -0.00 0.00 0.00 56.01 57.30 1xo3 n LEU 82 Cb 0.00 -0.45 0.01 0.00 -0.00 0.00 0.00 43.42 42.98 1xo3 n LEU 82 CO 0.00 -1.59 1.63 -0.67 -0.00 0.00 0.00 177.39 176.76 1xo3 n ASP 83 N -5.53 5.56 -4.54 1.45 2.03 -1.18 -0.63 116.55 113.71 1xo3 n ASP 83 Ca 0.13 -3.21 -0.34 0.00 0.52 0.00 0.00 54.79 51.89 1xo3 n ASP 83 Cb 0.44 -1.41 -0.12 0.00 -0.72 0.00 0.00 41.12 39.32 1xo3 n ASP 83 CO 0.00 0.00 0.00 -0.31 -1.92 0.00 0.00 177.20 174.97 1xo3 s TYR 84 N -0.70 3.02 -1.56 -0.67 2.02 -1.07 -4.95 117.35 113.44 1xo3 s TYR 84 Ca 0.37 -0.16 0.02 0.00 -0.37 0.00 0.00 57.07 56.93 1xo3 s TYR 84 Cb 0.07 -1.88 0.09 0.00 -0.40 0.00 0.00 41.96 39.85 1xo3 s TYR 84 CO 0.04 0.12 0.90 0.00 -1.57 0.00 0.00 175.55 175.04 1xo3 n GLN 85 N 3.03 1.33 -1.73 -0.62 0.00 -1.26 -4.01 117.38 114.13 1xo3 n GLN 85 Ca -0.18 -0.36 0.00 0.00 0.00 0.00 0.00 57.00 56.46 1xo3 n GLN 85 Cb 0.53 -1.28 0.00 0.00 0.00 0.00 0.00 30.24 29.48 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 -0.10 -3.34 -4.46 2.61 7.99 -1.26 -4.98 117.00 113.45 1xo3 n LEU 86 Ca 0.03 3.25 -0.27 0.00 -0.01 0.00 0.00 56.01 59.01 1xo3 n LEU 86 Cb 0.20 -3.21 -0.11 0.00 -0.11 0.00 0.00 43.42 40.18 1xo3 n LEU 86 CO 0.03 0.20 -0.50 -1.10 -1.51 0.00 0.00 177.39 174.51 1xo3 s GLN 87 N -3.29 1.67 0.24 3.23 -0.21 -1.26 -5.09 119.66 114.96 1xo3 s GLN 87 Ca 0.00 -1.43 -0.30 0.00 0.02 0.00 0.00 55.36 53.65 1xo3 s GLN 87 Cb 0.00 -1.95 -0.10 0.00 1.00 0.00 0.00 33.01 31.96 1xo3 s GLN 87 CO 0.00 0.42 1.44 0.16 -2.12 0.00 0.00 175.29 175.19 1xo3 s ASP 88 N -2.64 6.65 -1.28 5.90 -4.77 -1.26 -2.08 116.67 117.19 1xo3 s ASP 88 Ca 0.21 2.66 -0.00 0.00 -3.30 0.00 0.00 52.55 52.12 1xo3 s ASP 88 Cb -0.08 -2.62 0.00 0.00 -1.09 0.00 0.00 42.92 39.12 1xo3 s ASP 88 CO 0.11 -0.70 0.01 0.00 0.70 0.00 0.00 175.17 175.29 1xo3 n GLN 89 N 2.42 -1.27 -1.67 2.11 1.13 -1.01 -4.91 117.38 114.19 1xo3 n GLN 89 Ca 0.07 0.72 -0.39 0.00 -1.94 0.00 0.00 57.00 55.46 1xo3 n GLN 89 Cb 0.40 -5.06 -0.03 0.00 0.11 0.00 0.00 30.24 25.66 1xo3 n GLN 89 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1xo3 s ASP 90 N -2.34 5.02 -0.81 1.08 1.01 -0.89 -4.74 116.67 115.01 1xo3 s ASP 90 Ca 0.01 1.31 -0.22 0.00 0.71 0.00 0.00 52.55 54.35 1xo3 s ASP 90 Cb -0.00 -2.51 0.08 0.00 1.01 0.00 0.00 42.92 41.49 1xo3 s ASP 90 CO 0.01 -2.39 1.14 -0.44 0.21 0.00 0.00 175.17 173.70 1xo3 s SER 91 N 9.79 6.35 -0.50 0.27 0.01 -1.17 0.05 113.70 128.49 1xo3 s SER 91 Ca 0.94 -1.25 -0.21 0.00 1.31 0.00 0.00 55.95 56.73 1xo3 s SER 91 Cb -0.23 -2.46 0.04 0.00 0.21 0.00 0.00 66.02 63.58 1xo3 s SER 91 CO 0.29 -1.42 0.72 -0.63 0.41 0.00 0.00 173.24 172.61 1xo3 s ILE 92 N 4.15 4.72 -0.14 1.44 -1.09 0.22 -1.67 121.20 128.84 1xo3 s ILE 92 Ca 0.31 -0.09 0.02 0.00 -2.23 0.00 0.00 60.65 58.66 1xo3 s ILE 92 Cb -0.09 -4.34 0.00 0.00 -1.58 0.00 0.00 42.46 36.45 1xo3 s ILE 92 CO 0.02 -0.83 -0.19 -0.22 -1.23 0.00 0.00 174.94 172.49 1xo3 s LEU 93 N 3.05 2.28 -0.37 2.97 0.20 -0.67 -1.58 118.68 124.57 1xo3 s LEU 93 Ca 0.22 -0.53 -0.15 0.00 0.69 0.00 0.00 54.13 54.35 1xo3 s LEU 93 Cb -0.16 -1.49 -0.00 0.00 -0.43 0.00 0.00 46.19 44.11 1xo3 s LEU 93 CO 0.16 0.09 0.36 -0.36 -0.29 0.00 0.00 176.35 176.31 1xo3 s PHE 94 N 0.74 3.21 -0.33 5.38 0.40 -0.82 -1.22 117.98 125.33 1xo3 s PHE 94 Ca -0.08 -0.20 0.00 0.00 -0.60 0.00 0.00 56.93 56.06 1xo3 s PHE 94 Cb -0.16 -2.69 0.08 0.00 0.51 0.00 0.00 43.02 40.77 1xo3 s PHE 94 CO 0.00 -0.50 0.05 0.42 0.70 0.00 0.00 175.22 175.89 1xo3 s ILE 95 N 1.96 2.76 -0.20 0.64 1.09 0.18 0.12 121.20 127.76 1xo3 s ILE 95 Ca 0.10 -1.85 -0.29 0.00 -1.10 0.00 0.00 60.65 57.51 1xo3 s ILE 95 Cb -0.17 -2.79 -0.03 0.00 -1.06 0.00 0.00 42.46 38.41 1xo3 s ILE 95 CO 0.12 -0.38 1.71 -0.55 -0.10 0.00 0.00 174.94 175.74 1xo3 s SER 96 N 1.29 6.29 0.00 3.58 0.15 -1.24 0.82 113.70 124.60 1xo3 s SER 96 Ca 0.02 1.75 0.20 0.00 0.70 0.00 0.00 55.95 58.61 1xo3 s SER 96 Cb -0.20 -2.53 0.75 0.00 -1.71 0.00 0.00 66.02 62.33 1xo3 s SER 96 CO -0.04 -1.31 1.54 1.07 1.20 0.00 0.00 173.24 175.70 1xo3 n THR 97 N 6.46 0.21 0.37 6.45 5.66 0.55 -3.32 114.28 130.66 1xo3 n THR 97 Ca 0.20 -0.32 0.14 0.00 -3.05 0.00 0.00 64.05 61.01 1xo3 n THR 97 Cb 0.45 0.31 0.50 0.00 -1.55 0.00 0.00 70.33 70.04 1xo3 n THR 97 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 175.07 171.95 1xo3 h LEU 98 N 2.02 0.00 -8.29 1.09 3.38 -1.78 -3.06 115.31 108.66 1xo3 h LEU 98 Ca 0.00 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.42 1xo3 h LEU 98 Cb 0.44 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.11 1xo3 h LEU 98 CO 0.00 0.00 1.19 -1.00 0.09 0.00 0.00 178.44 178.72 1xo3 s HIS 99 N -3.38 2.31 0.00 1.13 3.76 -1.21 -2.48 115.29 115.42 1xo3 s HIS 99 Ca 0.05 -0.22 0.00 0.00 -0.15 0.00 0.00 55.06 54.74 1xo3 s HIS 99 Cb 0.09 -4.62 0.00 0.00 1.11 0.00 0.00 32.58 29.17 1xo3 s HIS 99 CO 0.52 -2.04 0.00 0.41 -0.85 0.00 0.00 174.74 172.77 1xo3 n GLY 100 N 5.84 0.85 0.00 -2.22 0.00 -1.26 -5.10 105.19 103.29 1xo3 n GLY 100 Ca 0.13 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1xo3 n GLY 100 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93