#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 3.85 0.00 -1.46 0.00 0.00 -4.86 121.76 119.29 1xo3 s ALA 2 Ca 0.00 -3.21 0.00 0.00 0.00 0.00 0.00 51.96 48.75 1xo3 s ALA 2 Cb 0.00 -3.17 0.00 0.00 0.00 0.00 0.00 23.12 19.95 1xo3 s ALA 2 CO 0.00 -2.18 0.00 0.00 0.00 0.00 0.00 175.76 173.58 1xo3 n ALA 3 N 3.94 0.00 0.71 0.00 0.00 -1.26 -4.17 120.51 119.73 1xo3 n ALA 3 Ca 0.09 -0.07 0.12 0.00 0.00 0.00 0.00 53.44 53.58 1xo3 n ALA 3 Cb 0.43 0.00 0.21 0.00 0.00 0.00 0.00 19.45 20.09 1xo3 n ALA 3 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1xo3 n PRO 4 N -1.65 2.33 -1.13 0.00 -0.05 -1.26 0.42 135.00 133.66 1xo3 n PRO 4 Ca 0.00 -1.98 -0.19 0.00 -0.05 0.00 0.00 63.50 61.28 1xo3 n PRO 4 Cb 0.00 -1.48 0.14 0.00 -0.05 0.00 0.00 33.50 32.10 1xo3 n PRO 4 CO 0.00 0.00 0.00 1.47 -0.05 0.00 0.00 175.50 176.92 1xo3 n LEU 5 N 1.26 0.00 -3.93 1.53 -0.00 -1.26 -4.69 117.00 109.91 1xo3 n LEU 5 Ca 0.17 -0.91 -0.22 0.00 -0.00 0.00 0.00 56.01 55.05 1xo3 n LEU 5 Cb 0.57 -0.66 -0.16 0.00 -0.00 0.00 0.00 43.42 43.16 1xo3 n LEU 5 CO 0.15 -1.22 -0.43 0.00 -0.00 0.00 0.00 177.39 175.89 1xo3 s VAL 7 N 0.93 4.35 -0.13 0.00 -7.23 -0.87 -2.78 120.40 114.67 1xo3 s VAL 7 Ca -0.11 -0.93 0.02 0.00 -1.81 0.00 0.00 61.98 59.15 1xo3 s VAL 7 Cb -0.15 -3.12 -0.00 0.00 0.56 0.00 0.00 36.38 33.67 1xo3 s VAL 7 CO 0.00 0.06 -0.18 -0.75 -0.31 0.00 0.00 175.10 173.92 1xo3 s LYS 8 N -2.57 3.17 -0.10 4.82 2.20 0.13 -1.91 119.74 125.47 1xo3 s LYS 8 Ca 0.29 -0.79 -0.02 0.00 -0.36 0.00 0.00 55.97 55.09 1xo3 s LYS 8 Cb -0.11 -2.51 -0.03 0.00 -1.51 0.00 0.00 37.83 33.67 1xo3 s LYS 8 CO 0.21 0.09 -0.02 0.08 -0.36 0.00 0.00 175.35 175.35 1xo3 s VAL 9 N 0.61 4.08 0.07 4.02 1.01 0.14 0.46 120.40 130.79 1xo3 s VAL 9 Ca -0.10 -0.32 -0.08 0.00 0.00 0.00 0.00 61.98 61.48 1xo3 s VAL 9 Cb -0.16 -2.73 -0.00 0.00 0.00 0.00 0.00 36.38 33.49 1xo3 s VAL 9 CO 0.03 0.57 0.17 -0.70 0.00 0.00 0.00 175.10 175.17 1xo3 s GLU 10 N -0.52 0.78 -0.13 2.72 2.12 0.15 0.89 118.70 124.71 1xo3 s GLU 10 Ca 0.08 -0.91 -0.00 0.00 0.36 0.00 0.00 54.97 54.51 1xo3 s GLU 10 Cb -0.12 0.31 -0.02 0.00 0.26 0.00 0.00 34.13 34.57 1xo3 s GLU 10 CO 0.02 -0.23 -0.11 -0.06 -0.54 0.00 0.00 175.26 174.33 1xo3 s PHE 11 N -3.54 2.84 0.00 5.30 0.08 -0.80 -1.16 117.98 120.70 1xo3 s PHE 11 Ca 0.03 -0.54 0.00 0.00 0.12 0.00 0.00 56.93 56.54 1xo3 s PHE 11 Cb 0.04 -1.85 0.00 0.00 -0.57 0.00 0.00 43.02 40.64 1xo3 s PHE 11 CO -0.09 -0.14 0.00 0.41 -0.10 0.00 0.00 175.22 175.30 1xo3 n GLY 12 N 3.41 0.00 1.65 4.36 0.00 0.14 -4.75 105.19 110.01 1xo3 n GLY 12 Ca -0.18 0.00 -0.04 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 3.00 2.71 2.43 -0.02 0.00 -0.83 -4.55 105.19 107.93 1xo3 n GLY 13 Ca 0.00 -0.37 -0.09 0.00 0.00 0.00 0.00 46.02 45.56 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 1.70 1.05 0.27 -0.02 0.00 -1.26 -3.33 105.19 103.60 1xo3 n GLY 14 Ca 0.13 -0.33 0.14 0.00 0.00 0.00 0.00 46.02 45.96 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 1.19 0.00 4.61 0.00 -1.81 -1.67 119.26 121.58 1xo3 h ALA 15 Ca -0.19 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 1xo3 h ALA 15 Cb 0.76 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 1xo3 h ALA 15 CO 0.28 0.13 -0.02 1.05 0.00 0.00 0.00 179.25 180.69 1xo3 h GLU 16 N 0.00 0.00 0.00 0.00 4.11 -1.86 -0.84 114.58 115.99 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 0.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.62 1xo3 h GLU 16 CO 0.01 0.02 0.00 1.28 0.07 0.00 0.00 179.01 180.40 1xo3 n LEU 17 N -4.27 0.66 0.19 3.06 4.77 -0.63 -0.85 117.00 119.93 1xo3 n LEU 17 Ca -0.03 0.70 0.08 0.00 -0.03 0.00 0.00 56.01 56.73 1xo3 n LEU 17 Cb 0.11 -0.66 0.13 0.00 -2.33 0.00 0.00 43.42 40.68 1xo3 n LEU 17 CO 0.32 -0.69 0.67 -0.07 -1.33 0.00 0.00 177.39 176.29 1xo3 h LEU 18 N 0.00 0.00 0.00 2.23 3.38 -1.32 -3.42 115.31 116.18 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 0.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 1xo3 h LEU 18 CO 0.00 0.23 0.00 0.49 0.09 0.00 0.00 178.44 179.25 1xo3 n PHE 19 N -3.17 0.00 -1.97 1.13 3.01 -0.06 -3.29 117.46 113.11 1xo3 n PHE 19 Ca 0.03 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.49 1xo3 n PHE 19 Cb 0.61 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.08 1xo3 n PHE 19 CO 0.00 0.00 0.00 -0.40 1.01 0.00 0.00 176.76 177.37 1xo3 n ASP 20 N 0.00 0.00 0.00 4.37 5.75 -0.82 -4.23 116.55 121.62 1xo3 n ASP 20 Ca 0.00 -0.97 0.00 0.00 -0.01 0.00 0.00 54.79 53.81 1xo3 n ASP 20 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 1xo3 n ASP 20 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1xo3 n GLY 21 N 0.00 0.80 3.68 6.12 0.00 -0.03 -5.00 105.19 110.76 1xo3 n GLY 21 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1xo3 n GLY 21 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xo3 s VAL 22 N -2.00 4.83 0.00 1.61 1.01 -1.26 -4.93 120.40 119.66 1xo3 s VAL 22 Ca 0.00 1.81 -0.00 0.00 0.00 0.00 0.00 61.98 63.78 1xo3 s VAL 22 Cb 0.00 -4.21 -0.00 0.00 0.00 0.00 0.00 36.38 32.17 1xo3 s VAL 22 CO 0.00 0.00 -0.01 0.29 0.00 0.00 0.00 175.10 175.39 1xo3 n LYS 23 N 5.22 0.01 -2.43 2.72 5.02 -1.26 -4.37 118.16 123.07 1xo3 n LYS 23 Ca 0.06 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.94 1xo3 n LYS 23 Cb 0.49 -0.22 -0.03 0.00 -0.02 0.00 0.00 35.03 35.25 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 -1.08 4.33 -0.13 1.97 2.20 -1.26 -1.90 119.74 123.87 1xo3 s LYS 24 Ca -0.01 1.70 -0.04 0.00 -0.36 0.00 0.00 55.97 57.27 1xo3 s LYS 24 Cb 0.00 -3.59 0.05 0.00 -1.51 0.00 0.00 37.83 32.79 1xo3 s LYS 24 CO 0.01 -0.50 0.09 -1.58 -0.36 0.00 0.00 175.35 173.01 1xo3 s HIS 25 N 2.41 0.12 -0.04 4.03 2.46 0.26 -4.97 115.29 119.55 1xo3 s HIS 25 Ca 0.57 -0.08 0.02 0.00 0.47 0.00 0.00 55.06 56.04 1xo3 s HIS 25 Cb -0.25 -0.60 -0.03 0.00 -0.13 0.00 0.00 32.58 31.57 1xo3 s HIS 25 CO 0.21 -0.41 -0.09 -1.14 -2.47 0.00 0.00 174.74 170.85 1xo3 s GLN 26 N 2.16 2.61 -0.02 2.88 0.74 -1.26 -0.69 119.66 126.09 1xo3 s GLN 26 Ca 0.03 -0.65 0.01 0.00 0.05 0.00 0.00 55.36 54.80 1xo3 s GLN 26 Cb -0.15 -2.51 0.01 0.00 1.10 0.00 0.00 33.01 31.47 1xo3 s GLN 26 CO -0.07 0.63 -0.03 0.54 -0.55 0.00 0.00 175.29 175.81 1xo3 s VAL 27 N -0.87 0.31 0.04 1.34 0.11 -0.80 -4.97 120.40 115.57 1xo3 s VAL 27 Ca 0.14 -0.10 -0.16 0.00 -2.93 0.00 0.00 61.98 58.93 1xo3 s VAL 27 Cb -0.11 -0.31 -0.06 0.00 -1.53 0.00 0.00 36.38 34.37 1xo3 s VAL 27 CO 0.03 0.12 0.47 0.00 -3.33 0.00 0.00 175.10 172.40 1xo3 s ALA 28 N 0.32 3.66 0.27 1.54 0.00 -1.26 -2.05 121.76 124.24 1xo3 s ALA 28 Ca -0.03 -0.14 -0.29 0.00 0.00 0.00 0.00 51.96 51.50 1xo3 s ALA 28 Cb -0.06 -2.47 -0.09 0.00 0.00 0.00 0.00 23.12 20.49 1xo3 s ALA 28 CO -0.01 0.46 0.94 -0.51 0.00 0.00 0.00 175.76 176.64 1xo3 s LEU 29 N -1.22 4.54 0.42 0.00 2.01 0.03 -4.95 118.68 119.52 1xo3 s LEU 29 Ca 0.27 1.91 0.17 0.00 0.01 0.00 0.00 54.13 56.48 1xo3 s LEU 29 Cb -0.17 -3.74 1.07 0.00 0.01 0.00 0.00 46.19 43.35 1xo3 s LEU 29 CO 0.16 0.08 1.89 -0.65 1.01 0.00 0.00 176.35 178.84 1xo3 h PRO 30 N 3.82 0.40 0.00 1.29 0.11 -1.76 -3.42 132.00 132.44 1xo3 h PRO 30 Ca -0.46 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1xo3 h PRO 30 Cb 1.20 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1xo3 h PRO 30 CO 0.67 0.27 0.00 0.41 -0.21 0.00 0.00 178.00 179.14 1xo3 n GLY 31 N -1.52 1.29 2.02 -0.55 0.00 0.17 -4.90 105.19 101.69 1xo3 n GLY 31 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1xo3 n GLY 31 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xo3 n GLN 32 N -1.00 0.00 -4.11 1.61 10.64 -1.25 -4.45 117.38 118.82 1xo3 n GLN 32 Ca 0.00 0.00 -0.23 0.00 -1.83 0.00 0.00 57.00 54.94 1xo3 n GLN 32 Cb 0.00 0.00 -0.06 0.00 -0.86 0.00 0.00 30.24 29.32 1xo3 n GLN 32 CO 0.00 0.00 0.00 -1.21 -1.83 0.00 0.00 177.06 174.02 1xo3 s GLU 33 N -2.00 2.47 -0.69 2.61 2.02 -1.26 -4.74 118.70 117.11 1xo3 s GLU 33 Ca 0.00 -1.43 -0.02 0.00 0.02 0.00 0.00 54.97 53.54 1xo3 s GLU 33 Cb 0.00 -2.26 0.17 0.00 0.10 0.00 0.00 34.13 32.15 1xo3 s GLU 33 CO 0.00 0.20 0.51 -1.21 0.02 0.00 0.00 175.26 174.79 1xo3 s GLU 34 N -3.82 2.72 0.00 1.61 8.01 -1.26 -4.40 118.70 121.55 1xo3 s GLU 34 Ca 0.36 -2.74 0.21 0.00 0.01 0.00 0.00 54.97 52.81 1xo3 s GLU 34 Cb -0.04 -3.77 0.54 0.00 -4.31 0.00 0.00 34.13 26.55 1xo3 s GLU 34 CO 0.23 -1.20 1.45 -0.35 0.01 0.00 0.00 175.26 175.40 1xo3 n PRO 35 N 3.16 2.21 -1.16 0.39 -0.04 -1.26 -4.44 135.00 133.85 1xo3 n PRO 35 Ca 0.11 -1.83 -0.21 0.00 -0.04 0.00 0.00 63.50 61.53 1xo3 n PRO 35 Cb 0.37 -1.46 0.18 0.00 -0.04 0.00 0.00 33.50 32.56 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 1.03 2.68 -0.73 0.54 5.03 -1.26 -4.77 117.44 119.96 1xo3 n TRP 36 Ca 0.18 -1.87 -0.32 0.00 3.03 0.00 0.00 57.50 58.53 1xo3 n TRP 36 Cb 0.49 -0.88 0.16 0.00 -1.03 0.00 0.00 31.31 30.04 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 -1.13 -0.06 0.02 -0.99 5.68 -1.25 -4.68 116.55 114.13 1xo3 n ASP 37 Ca 0.55 0.42 0.16 0.00 -0.50 0.00 0.00 54.79 55.41 1xo3 n ASP 37 Cb 1.49 -1.43 0.63 0.00 -1.14 0.00 0.00 41.12 40.67 1xo3 n ASP 37 CO 0.00 0.00 0.00 0.40 -1.33 0.00 0.00 177.20 176.27 1xo3 h ILE 38 N -1.77 0.82 -0.18 2.12 1.08 -1.46 -1.20 117.51 116.93 1xo3 h ILE 38 Ca -0.43 -0.04 -0.20 0.00 -0.39 0.00 0.00 64.86 63.80 1xo3 h ILE 38 Cb 1.27 0.70 0.00 0.00 -3.07 0.00 0.00 36.82 35.73 1xo3 h ILE 38 CO 0.40 0.02 -0.70 0.08 -0.69 0.00 0.00 178.15 177.26 1xo3 h ARG 39 N 0.11 0.74 -0.45 2.37 -0.00 -0.75 -2.34 114.38 114.05 1xo3 h ARG 39 Ca 0.22 -0.56 -0.14 0.00 -0.00 0.00 0.00 59.98 59.51 1xo3 h ARG 39 Cb 0.74 0.10 -0.01 0.00 -0.00 0.00 0.00 29.97 30.80 1xo3 h ARG 39 CO -0.02 1.17 -0.26 -0.91 -0.00 0.00 0.00 179.97 179.95 1xo3 h ASN 40 N 0.52 1.01 0.13 0.08 2.35 -1.52 -2.58 115.58 115.58 1xo3 h ASN 40 Ca -0.03 -0.40 -0.07 0.00 -0.55 0.00 0.00 56.30 55.25 1xo3 h ASN 40 Cb 1.31 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 39.39 1xo3 h ASN 40 CO 0.14 1.20 -0.24 -0.07 -1.65 0.00 0.00 177.43 176.81 1xo3 h LEU 41 N 0.83 0.19 -1.41 1.61 -0.00 -1.41 0.13 115.31 115.24 1xo3 h LEU 41 Ca 0.10 -0.05 -0.06 0.00 -0.00 0.00 0.00 57.88 57.87 1xo3 h LEU 41 Cb 0.84 -0.05 -0.01 0.00 -0.00 0.00 0.00 40.66 41.44 1xo3 h LEU 41 CO 0.07 0.45 -0.22 0.25 -0.00 0.00 0.00 178.44 178.99 1xo3 h LEU 42 N 0.18 0.10 -0.01 1.67 6.46 -1.16 0.34 115.31 122.90 1xo3 h LEU 42 Ca 0.03 -0.02 -0.02 0.00 -0.12 0.00 0.00 57.88 57.75 1xo3 h LEU 42 Cb 0.54 -0.03 0.00 0.00 -0.73 0.00 0.00 40.66 40.44 1xo3 h LEU 42 CO 0.04 0.33 -0.07 0.58 -0.62 0.00 0.00 178.44 178.70 1xo3 h VAL 43 N 0.10 1.56 -0.48 1.05 2.07 -0.76 -1.89 116.25 117.89 1xo3 h VAL 43 Ca 0.02 -1.74 0.07 0.00 0.82 0.00 0.00 66.70 65.86 1xo3 h VAL 43 Cb 0.46 2.71 -0.06 0.00 -1.52 0.00 0.00 31.29 32.88 1xo3 h VAL 43 CO 0.03 0.46 0.14 -0.25 0.02 0.00 0.00 177.57 177.97 1xo3 h TRP 44 N -0.64 0.23 -0.57 1.57 2.91 -0.53 0.20 115.95 119.13 1xo3 h TRP 44 Ca -0.01 0.03 -0.07 0.00 1.13 0.00 0.00 58.89 59.97 1xo3 h TRP 44 Cb 0.79 -0.03 -0.02 0.00 -0.51 0.00 0.00 29.16 29.38 1xo3 h TRP 44 CO 0.18 0.05 0.07 0.82 -1.03 0.00 0.00 178.44 178.53 1xo3 h ILE 45 N 0.29 1.25 0.26 2.65 2.04 -0.40 -2.21 117.51 121.39 1xo3 h ILE 45 Ca 0.24 -0.97 -0.01 0.00 1.00 0.00 0.00 64.86 65.11 1xo3 h ILE 45 Cb 0.28 0.73 0.00 0.00 -0.74 0.00 0.00 36.82 37.10 1xo3 h ILE 45 CO -0.27 0.35 -0.13 0.50 0.00 0.00 0.00 178.15 178.61 1xo3 h LYS 46 N 0.86 -0.34 0.00 2.37 3.64 -0.42 0.24 116.57 122.92 1xo3 h LYS 46 Ca 0.17 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.58 1xo3 h LYS 46 Cb 0.41 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.30 1xo3 h LYS 46 CO 0.01 -0.02 0.00 0.36 -2.27 0.00 0.00 179.45 177.53 1xo3 n LYS 47 N -5.02 0.00 -0.01 1.90 2.85 0.59 -2.65 118.16 115.84 1xo3 n LYS 47 Ca -0.07 0.09 -0.01 0.00 -1.05 0.00 0.00 58.31 57.26 1xo3 n LYS 47 Cb 0.24 -1.51 -0.01 0.00 -0.65 0.00 0.00 35.03 33.11 1xo3 n LYS 47 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 177.40 175.64 1xo3 n ASN 48 N -1.51 2.68 -0.11 -5.58 4.05 -0.83 -4.89 115.26 109.06 1xo3 n ASN 48 Ca 0.06 0.00 -0.15 0.00 0.45 0.00 0.00 54.58 54.94 1xo3 n ASN 48 Cb 0.28 -0.03 -0.14 0.00 1.23 0.00 0.00 39.78 41.13 1xo3 n ASN 48 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 177.26 174.10 1xo3 n LEU 49 N -2.71 1.92 -4.65 1.20 7.94 0.02 -4.89 117.00 115.81 1xo3 n LEU 49 Ca -0.03 -0.04 -0.42 0.00 -1.11 0.00 0.00 56.01 54.40 1xo3 n LEU 49 Cb 0.53 -0.43 -0.03 0.00 0.53 0.00 0.00 43.42 44.02 1xo3 n LEU 49 CO 0.01 0.77 1.46 -0.22 -1.11 0.00 0.00 177.39 178.30 1xo3 s LEU 50 N -6.21 4.23 -0.09 -1.96 1.98 0.62 -4.68 118.68 112.56 1xo3 s LEU 50 Ca -0.25 2.23 0.20 0.00 -2.89 0.00 0.00 54.13 53.42 1xo3 s LEU 50 Cb 0.08 -3.53 -0.29 0.00 0.66 0.00 0.00 46.19 43.11 1xo3 s LEU 50 CO 0.70 -1.08 0.31 0.29 -1.89 0.00 0.00 176.35 174.68 1xo3 n LYS 51 N 7.42 0.71 0.00 1.98 5.02 -1.22 -4.87 118.16 127.20 1xo3 n LYS 51 Ca 0.19 -0.12 0.00 0.00 -2.02 0.00 0.00 58.31 56.36 1xo3 n LYS 51 Cb 0.43 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.94 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 -2.40 3.48 -2.82 1.97 0.28 -1.21 -5.05 120.64 114.89 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 0.76 0.00 -0.03 0.00 1.43 0.00 0.00 31.44 33.59 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 3.35 4.31 0.00 3.44 0.52 -1.26 -4.92 118.95 124.40 1xo3 s ARG 53 Ca 0.00 1.13 0.10 0.00 -0.52 0.00 0.00 55.73 56.44 1xo3 s ARG 53 Cb 0.00 -3.58 0.46 0.00 0.52 0.00 0.00 34.95 32.35 1xo3 s ARG 53 CO 0.00 -0.37 1.22 -2.30 0.02 0.00 0.00 175.30 173.87 1xo3 n PRO 54 N 5.36 0.10 -0.15 3.54 -0.02 -1.26 -2.72 135.00 139.85 1xo3 n PRO 54 Ca 0.06 0.24 0.00 0.00 -2.02 0.00 0.00 63.50 61.78 1xo3 n PRO 54 Cb 0.48 -1.50 0.26 0.00 -0.02 0.00 0.00 33.50 32.73 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 0.85 -0.01 -0.52 4.39 -1.92 -0.75 114.58 116.61 1xo3 h GLU 55 Ca 0.00 -0.09 0.00 0.00 0.34 0.00 0.00 59.36 59.61 1xo3 h GLU 55 Cb 0.11 -0.17 0.00 0.00 -0.10 0.00 0.00 28.75 28.59 1xo3 h GLU 55 CO 0.00 0.62 -0.05 1.28 -1.16 0.00 0.00 179.01 179.70 1xo3 n LEU 56 N -4.38 1.14 0.00 1.33 4.77 -1.10 -4.85 117.00 113.91 1xo3 n LEU 56 Ca 0.06 -0.35 0.00 0.00 -0.03 0.00 0.00 56.01 55.69 1xo3 n LEU 56 Cb 0.10 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 1xo3 n LEU 56 CO 0.37 0.20 0.00 0.33 -1.33 0.00 0.00 177.39 176.96 1xo3 n PHE 57 N -0.21 -1.86 -1.93 -1.77 7.35 -0.29 -5.09 117.46 113.66 1xo3 n PHE 57 Ca 0.18 0.00 -0.30 0.00 -0.76 0.00 0.00 57.45 56.57 1xo3 n PHE 57 Cb 0.32 0.00 0.02 0.00 0.35 0.00 0.00 39.48 40.17 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 0.96 4.20 0.58 -2.13 -4.36 -1.26 -4.68 121.20 114.50 1xo3 s ILE 58 Ca 0.00 0.65 -0.20 0.00 -0.26 0.00 0.00 60.65 60.84 1xo3 s ILE 58 Cb 0.00 -3.70 -0.04 0.00 1.25 0.00 0.00 42.46 39.97 1xo3 s ILE 58 CO 0.00 -0.90 1.29 0.00 0.24 0.00 0.00 174.94 175.57 1xo3 s GLN 59 N -5.22 2.98 0.00 0.37 -2.07 -1.26 -4.75 119.66 109.71 1xo3 s GLN 59 Ca 0.56 2.06 -0.02 0.00 -1.82 0.00 0.00 55.36 56.14 1xo3 s GLN 59 Cb -0.11 -2.08 -0.09 0.00 -1.09 0.00 0.00 33.01 29.64 1xo3 s GLN 59 CO 0.52 -1.26 1.75 0.41 -1.32 0.00 0.00 175.29 175.39 1xo3 n GLY 60 N 0.71 1.87 2.02 2.60 0.00 -1.26 -3.28 105.19 107.85 1xo3 n GLY 60 Ca 0.12 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.74 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 2.36 -0.40 0.00 1.61 8.00 -1.26 -5.02 116.55 121.83 1xo3 n ASP 61 Ca 0.14 0.37 0.00 0.00 0.71 0.00 0.00 54.79 56.01 1xo3 n ASP 61 Cb 0.40 0.54 0.00 0.00 -0.02 0.00 0.00 41.12 42.05 1xo3 n ASP 61 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1xo3 n SER 62 N -3.17 0.00 -3.58 -2.24 2.88 -1.21 -3.97 113.62 102.34 1xo3 n SER 62 Ca 0.00 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.42 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 -0.56 0.05 0.56 2.46 -7.23 -1.26 -4.71 120.40 109.70 1xo3 s VAL 63 Ca 0.00 -0.38 -0.15 0.00 -1.81 0.00 0.00 61.98 59.64 1xo3 s VAL 63 Cb 0.00 -1.08 -0.06 0.00 0.56 0.00 0.00 36.38 35.80 1xo3 s VAL 63 CO 0.00 -0.21 1.01 0.00 -0.31 0.00 0.00 175.10 175.59 1xo3 s ARG 64 N -3.47 3.72 0.62 4.82 1.70 -1.26 -4.20 118.95 120.88 1xo3 s ARG 64 Ca 0.01 0.96 0.27 0.00 -0.47 0.00 0.00 55.73 56.49 1xo3 s ARG 64 Cb 0.01 -2.10 1.39 0.00 -0.57 0.00 0.00 34.95 33.68 1xo3 s ARG 64 CO -0.10 -0.47 1.80 -1.35 -1.08 0.00 0.00 175.30 174.11 1xo3 h PRO 65 N 0.50 0.00 -0.16 3.89 0.11 -2.01 0.40 132.00 134.73 1xo3 h PRO 65 Ca -0.46 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.52 1xo3 h PRO 65 Cb 1.19 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 1xo3 h PRO 65 CO 0.61 0.00 -0.46 0.78 -0.21 0.00 0.00 178.00 178.72 1xo3 h GLY 66 N 0.00 0.43 -6.06 -0.55 0.00 -1.92 -3.43 103.07 91.54 1xo3 h GLY 66 Ca 0.14 -0.45 -0.64 0.00 0.00 0.00 0.00 47.33 46.38 1xo3 h GLY 66 CO -0.00 0.41 -0.67 -0.42 0.00 0.00 0.00 176.54 175.86 1xo3 s ILE 67 N -4.09 3.89 0.16 2.60 1.01 0.13 -0.04 121.20 124.86 1xo3 s ILE 67 Ca -0.06 -0.35 -0.02 0.00 0.00 0.00 0.00 60.65 60.23 1xo3 s ILE 67 Cb 0.12 -2.72 -0.05 0.00 0.01 0.00 0.00 42.46 39.83 1xo3 s ILE 67 CO 0.80 0.47 0.35 -0.76 0.00 0.00 0.00 174.94 175.81 1xo3 s LEU 68 N 0.56 4.26 -0.04 2.97 1.43 0.15 -4.41 118.68 123.60 1xo3 s LEU 68 Ca -0.02 0.43 0.03 0.00 -1.03 0.00 0.00 54.13 53.53 1xo3 s LEU 68 Cb -0.14 -3.17 0.01 0.00 0.03 0.00 0.00 46.19 42.92 1xo3 s LEU 68 CO 0.02 0.02 -0.10 -0.69 0.23 0.00 0.00 176.35 175.83 1xo3 s VAL 69 N -1.75 0.90 -0.29 -1.59 1.01 -1.25 0.73 120.40 118.16 1xo3 s VAL 69 Ca 0.38 -0.40 -0.16 0.00 0.00 0.00 0.00 61.98 61.80 1xo3 s VAL 69 Cb -0.12 -0.81 -0.02 0.00 0.00 0.00 0.00 36.38 35.43 1xo3 s VAL 69 CO 0.28 0.28 0.44 -0.76 0.00 0.00 0.00 175.10 175.34 1xo3 s LEU 70 N 0.34 4.15 -0.40 3.92 1.43 -0.24 -1.46 118.68 126.42 1xo3 s LEU 70 Ca -0.06 0.22 -0.22 0.00 -1.03 0.00 0.00 54.13 53.04 1xo3 s LEU 70 Cb -0.11 -2.51 0.01 0.00 0.03 0.00 0.00 46.19 43.62 1xo3 s LEU 70 CO 0.01 -0.29 0.71 -0.63 0.23 0.00 0.00 176.35 176.38 1xo3 s ILE 71 N 2.19 4.78 0.00 -0.59 -1.09 0.11 -1.30 121.20 125.31 1xo3 s ILE 71 Ca 0.17 0.53 0.00 0.00 -2.23 0.00 0.00 60.65 59.12 1xo3 s ILE 71 Cb -0.16 -4.19 0.00 0.00 -1.58 0.00 0.00 42.46 36.53 1xo3 s ILE 71 CO 0.11 -0.50 0.00 -3.20 -1.23 0.00 0.00 174.94 170.12 1xo3 n ASN 72 N 6.34 0.00 -0.10 3.58 2.85 -0.80 -1.40 115.26 125.73 1xo3 n ASN 72 Ca 0.01 0.00 -0.00 0.00 -0.11 0.00 0.00 54.58 54.47 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 3.38 -0.01 -4.31 1.20 2.03 -1.26 -2.97 116.55 114.61 1xo3 n ASP 73 Ca 0.00 -0.11 -0.16 0.00 0.52 0.00 0.00 54.79 55.04 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 1.71 -0.19 -1.67 0.00 -0.50 -4.99 121.76 116.12 1xo3 s ALA 74 Ca 0.00 -1.80 -0.28 0.00 0.00 0.00 0.00 51.96 49.88 1xo3 s ALA 74 Cb 0.00 0.80 -0.05 0.00 0.00 0.00 0.00 23.12 23.86 1xo3 s ALA 74 CO 0.00 -0.37 2.19 -0.51 0.00 0.00 0.00 175.76 177.06 1xo3 s ASP 75 N -3.29 5.56 0.26 0.00 1.11 -1.26 0.07 116.67 119.11 1xo3 s ASP 75 Ca 0.33 1.96 -0.01 0.00 0.18 0.00 0.00 52.55 55.01 1xo3 s ASP 75 Cb 0.07 -2.51 0.53 0.00 1.07 0.00 0.00 42.92 42.07 1xo3 s ASP 75 CO 0.11 -1.87 1.76 4.11 1.18 0.00 0.00 175.17 180.46 1xo3 h TRP 76 N 14.58 0.74 -0.58 4.23 0.09 -1.59 -2.82 115.95 130.60 1xo3 h TRP 76 Ca -0.42 0.03 -0.02 0.00 0.09 0.00 0.00 58.89 58.58 1xo3 h TRP 76 Cb 1.24 -0.20 -0.03 0.00 0.08 0.00 0.00 29.16 30.25 1xo3 h TRP 76 CO 0.94 0.17 0.30 1.05 0.09 0.00 0.00 178.44 180.99 1xo3 h GLU 77 N 0.60 0.82 -0.10 0.12 4.11 -1.89 0.13 114.58 118.37 1xo3 h GLU 77 Ca 0.46 -0.11 0.00 0.00 0.07 0.00 0.00 59.36 59.78 1xo3 h GLU 77 Cb 0.65 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.75 1xo3 h GLU 77 CO -0.37 0.64 0.00 1.47 0.07 0.00 0.00 179.01 180.83 1xo3 n LEU 78 N -4.57 1.75 -0.10 3.06 -0.00 -1.17 -3.78 117.00 112.20 1xo3 n LEU 78 Ca 0.03 -0.66 -0.10 0.00 -0.00 0.00 0.00 56.01 55.28 1xo3 n LEU 78 Cb 0.10 -0.06 -0.16 0.00 -0.00 0.00 0.00 43.42 43.31 1xo3 n LEU 78 CO 0.37 0.33 -1.12 0.18 -0.00 0.00 0.00 177.39 177.15 1xo3 n LEU 79 N 0.37 0.23 0.00 1.47 4.32 -0.37 -4.99 117.00 118.03 1xo3 n LEU 79 Ca 0.18 0.03 0.00 0.00 -0.02 0.00 0.00 56.01 56.19 1xo3 n LEU 79 Cb 0.37 0.39 0.00 0.00 -1.62 0.00 0.00 43.42 42.56 1xo3 n LEU 79 CO 0.15 0.52 0.00 0.61 -1.22 0.00 0.00 177.39 177.44 1xo3 n GLY 80 N 1.76 1.11 7.00 -0.72 0.00 -0.21 -5.07 105.19 109.06 1xo3 n GLY 80 Ca -0.32 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.70 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 0.28 -3.13 120.64 119.30 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 -0.58 -4.20 -1.84 -0.00 -1.26 -2.63 117.00 106.49 1xo3 n LEU 82 Ca 0.00 1.69 -0.44 0.00 -0.00 0.00 0.00 56.01 57.26 1xo3 n LEU 82 Cb 0.00 -0.41 0.00 0.00 -0.00 0.00 0.00 43.42 43.02 1xo3 n LEU 82 CO 0.00 -1.53 1.31 -0.67 -0.00 0.00 0.00 177.39 176.50 1xo3 n ASP 83 N -5.45 5.52 -4.57 1.45 2.03 -1.18 -0.25 116.55 114.10 1xo3 n ASP 83 Ca 0.11 -3.11 -0.34 0.00 0.52 0.00 0.00 54.79 51.96 1xo3 n ASP 83 Cb 0.40 -1.44 -0.11 0.00 -0.72 0.00 0.00 41.12 39.25 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 -0.36 3.00 -1.25 -0.67 2.02 -1.08 -4.93 117.35 114.08 1xo3 s TYR 84 Ca 0.37 -0.04 0.04 0.00 -0.37 0.00 0.00 57.07 57.06 1xo3 s TYR 84 Cb -0.00 -1.79 0.17 0.00 -0.40 0.00 0.00 41.96 39.93 1xo3 s TYR 84 CO 0.00 0.25 0.90 0.00 -1.57 0.00 0.00 175.55 175.13 1xo3 n GLN 85 N 2.57 1.68 -1.24 -0.62 0.00 -1.26 -3.96 117.38 114.55 1xo3 n GLN 85 Ca -0.18 -0.65 0.04 0.00 0.00 0.00 0.00 57.00 56.21 1xo3 n GLN 85 Cb 0.53 -1.47 -0.02 0.00 0.00 0.00 0.00 30.24 29.27 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 0.08 -1.21 -4.36 2.61 7.99 -1.26 -0.81 117.00 120.04 1xo3 n LEU 86 Ca 0.06 2.21 -0.23 0.00 -0.01 0.00 0.00 56.01 58.04 1xo3 n LEU 86 Cb 0.34 -2.37 -0.11 0.00 -0.11 0.00 0.00 43.42 41.17 1xo3 n LEU 86 CO 0.06 -0.96 -0.49 -1.10 -1.51 0.00 0.00 177.39 173.38 1xo3 s GLN 87 N -4.84 1.34 0.18 3.23 1.11 -1.26 -3.88 119.66 115.52 1xo3 s GLN 87 Ca 0.00 -1.45 -0.31 0.00 0.01 0.00 0.00 55.36 53.62 1xo3 s GLN 87 Cb 0.00 -1.44 -0.09 0.00 -1.01 0.00 0.00 33.01 30.47 1xo3 s GLN 87 CO 0.00 0.30 1.38 0.16 0.01 0.00 0.00 175.29 177.14 1xo3 s ASP 88 N -2.71 6.80 -1.08 5.90 -4.77 -1.26 -1.95 116.67 117.60 1xo3 s ASP 88 Ca 0.17 2.44 0.00 0.00 -3.30 0.00 0.00 52.55 51.87 1xo3 s ASP 88 Cb -0.06 -2.60 0.00 0.00 -1.09 0.00 0.00 42.92 39.17 1xo3 s ASP 88 CO 0.08 -0.63 0.00 0.00 0.70 0.00 0.00 175.17 175.32 1xo3 n GLN 89 N 3.16 -0.83 -1.61 2.11 1.13 -1.12 -4.94 117.38 115.28 1xo3 n GLN 89 Ca 0.09 0.73 -0.47 0.00 -1.94 0.00 0.00 57.00 55.41 1xo3 n GLN 89 Cb 0.42 -4.77 -0.04 0.00 0.11 0.00 0.00 30.24 25.95 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 0.05 3.27 -4.35 1.08 8.00 -0.82 -4.80 116.55 118.98 1xo3 n ASP 90 Ca -0.12 0.66 -0.46 0.00 0.71 0.00 0.00 54.79 55.58 1xo3 n ASP 90 Cb 0.47 -1.42 -0.04 0.00 -0.02 0.00 0.00 41.12 40.11 1xo3 n ASP 90 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1xo3 s SER 91 N 5.85 6.37 -0.49 -2.24 0.15 -1.16 0.18 113.70 122.36 1xo3 s SER 91 Ca 0.98 -1.92 -0.22 0.00 0.70 0.00 0.00 55.95 55.49 1xo3 s SER 91 Cb -0.59 -2.26 0.04 0.00 -1.71 0.00 0.00 66.02 61.50 1xo3 s SER 91 CO 0.46 -0.90 0.76 -0.63 1.20 0.00 0.00 173.24 174.13 1xo3 s ILE 92 N 1.73 4.67 -0.13 6.45 -1.09 0.17 -1.90 121.20 131.10 1xo3 s ILE 92 Ca 0.13 0.06 0.01 0.00 -2.23 0.00 0.00 60.65 58.62 1xo3 s ILE 92 Cb -0.21 -4.36 -0.00 0.00 -1.58 0.00 0.00 42.46 36.31 1xo3 s ILE 92 CO -0.00 -0.84 -0.18 -0.22 -1.23 0.00 0.00 174.94 172.47 1xo3 s LEU 93 N 3.21 2.40 -0.33 2.97 0.20 -0.42 0.32 118.68 127.04 1xo3 s LEU 93 Ca 0.24 -0.47 -0.15 0.00 0.69 0.00 0.00 54.13 54.45 1xo3 s LEU 93 Cb -0.15 -1.53 -0.02 0.00 -0.43 0.00 0.00 46.19 44.07 1xo3 s LEU 93 CO 0.18 0.12 0.33 -0.36 -0.29 0.00 0.00 176.35 176.34 1xo3 s PHE 94 N 0.58 3.22 -0.29 5.38 0.40 -0.31 -1.08 117.98 125.88 1xo3 s PHE 94 Ca -0.10 0.01 0.01 0.00 -0.60 0.00 0.00 56.93 56.24 1xo3 s PHE 94 Cb -0.16 -2.61 0.06 0.00 0.51 0.00 0.00 43.02 40.82 1xo3 s PHE 94 CO 0.03 -0.38 -0.04 0.42 0.70 0.00 0.00 175.22 175.95 1xo3 s ILE 95 N 1.97 2.55 -0.22 0.64 1.09 0.22 0.28 121.20 127.74 1xo3 s ILE 95 Ca 0.11 -1.60 -0.29 0.00 -1.10 0.00 0.00 60.65 57.76 1xo3 s ILE 95 Cb -0.17 -2.53 -0.02 0.00 -1.06 0.00 0.00 42.46 38.69 1xo3 s ILE 95 CO 0.11 -0.13 1.43 -0.55 -0.10 0.00 0.00 174.94 175.70 1xo3 s SER 96 N 1.18 6.65 -0.04 3.58 0.15 -1.21 0.29 113.70 124.29 1xo3 s SER 96 Ca -0.05 1.56 0.15 0.00 0.70 0.00 0.00 55.95 58.30 1xo3 s SER 96 Cb -0.20 -2.54 0.47 0.00 -1.71 0.00 0.00 66.02 62.04 1xo3 s SER 96 CO -0.04 -1.04 1.39 1.07 1.20 0.00 0.00 173.24 175.83 1xo3 n THR 97 N 6.00 1.31 -1.70 6.45 5.66 0.94 -4.68 114.28 128.26 1xo3 n THR 97 Ca 0.16 -1.15 -0.40 0.00 -3.05 0.00 0.00 64.05 59.61 1xo3 n THR 97 Cb 0.45 0.34 -0.03 0.00 -1.55 0.00 0.00 70.33 69.54 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 -1.39 3.41 -0.03 1.09 1.43 -1.11 -4.75 118.68 117.34 1xo3 s LEU 98 Ca 0.35 1.28 0.14 0.00 -1.03 0.00 0.00 54.13 54.86 1xo3 s LEU 98 Cb 0.21 -2.98 -0.21 0.00 0.03 0.00 0.00 46.19 43.25 1xo3 s LEU 98 CO 0.20 -2.36 0.28 1.41 0.23 0.00 0.00 176.35 176.10 1xo3 n HIS 99 N 13.37 0.00 0.00 0.29 8.25 -1.26 -4.88 115.22 130.99 1xo3 n HIS 99 Ca 0.30 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.76 1xo3 n HIS 99 Cb 0.50 -0.35 0.00 0.00 1.12 0.00 0.00 29.99 31.26 1xo3 n HIS 99 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1xo3 n GLY 100 N 1.77 0.10 0.00 -1.41 0.00 -1.26 -5.32 105.19 99.07 1xo3 n GLY 100 Ca -0.05 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1xo3 n GLY 100 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93