#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 2.89 0.09 -1.46 0.00 -1.26 -4.99 121.76 117.03 1xo3 s ALA 2 Ca 0.00 0.39 -0.24 0.00 0.00 0.00 0.00 51.96 52.11 1xo3 s ALA 2 Cb 0.00 -3.20 -0.13 0.00 0.00 0.00 0.00 23.12 19.79 1xo3 s ALA 2 CO 0.00 -0.44 1.71 0.00 0.00 0.00 0.00 175.76 177.03 1xo3 h ALA 3 N 1.00 -0.16 -1.97 0.00 0.00 -1.85 -3.38 119.26 112.90 1xo3 h ALA 3 Ca -0.48 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1xo3 h ALA 3 Cb 1.21 0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1xo3 h ALA 3 CO 0.59 -0.60 0.00 -0.35 0.00 0.00 0.00 179.25 178.89 1xo3 n PRO 4 N -5.19 0.00 -3.80 0.00 -0.04 -1.26 -5.05 135.00 119.65 1xo3 n PRO 4 Ca -0.07 0.16 -0.12 0.00 -0.04 0.00 0.00 63.50 63.42 1xo3 n PRO 4 Cb 0.12 -0.63 -0.09 0.00 -0.04 0.00 0.00 33.50 32.86 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 -2.19 1.12 -0.09 1.53 0.05 -1.26 -5.07 118.68 112.77 1xo3 s LEU 5 Ca 0.00 -0.01 0.03 0.00 0.05 0.00 0.00 54.13 54.20 1xo3 s LEU 5 Cb 0.00 1.03 -0.01 0.00 -2.05 0.00 0.00 46.19 45.16 1xo3 s LEU 5 CO 0.00 -0.41 -0.18 0.00 -0.55 0.00 0.00 176.35 175.21 1xo3 s VAL 7 N -0.08 3.41 -0.03 0.00 -7.23 -0.85 -2.00 120.40 113.63 1xo3 s VAL 7 Ca -0.04 -1.79 0.07 0.00 -1.81 0.00 0.00 61.98 58.42 1xo3 s VAL 7 Cb -0.14 -2.95 -0.02 0.00 0.56 0.00 0.00 36.38 33.83 1xo3 s VAL 7 CO 0.04 -0.31 -0.25 -0.75 -0.31 0.00 0.00 175.10 173.53 1xo3 s LYS 8 N -3.75 2.11 -0.08 4.82 2.20 0.21 -2.87 119.74 122.40 1xo3 s LYS 8 Ca 0.34 -0.88 0.02 0.00 -0.36 0.00 0.00 55.97 55.09 1xo3 s LYS 8 Cb -0.05 -1.97 0.01 0.00 -1.51 0.00 0.00 37.83 34.31 1xo3 s LYS 8 CO 0.21 0.49 -0.13 0.08 -0.36 0.00 0.00 175.35 175.64 1xo3 s VAL 9 N -0.47 1.25 0.09 4.02 1.01 0.17 0.70 120.40 127.17 1xo3 s VAL 9 Ca 0.06 -0.53 -0.07 0.00 0.00 0.00 0.00 61.98 61.44 1xo3 s VAL 9 Cb -0.10 -1.14 -0.01 0.00 0.00 0.00 0.00 36.38 35.13 1xo3 s VAL 9 CO 0.00 0.38 0.17 -0.70 0.00 0.00 0.00 175.10 174.95 1xo3 s GLU 10 N 0.74 0.85 -0.07 2.72 2.12 -0.26 0.93 118.70 125.73 1xo3 s GLU 10 Ca -0.13 -1.03 0.03 0.00 0.36 0.00 0.00 54.97 54.20 1xo3 s GLU 10 Cb -0.16 0.33 -0.02 0.00 0.26 0.00 0.00 34.13 34.54 1xo3 s GLU 10 CO 0.03 -0.26 -0.16 -0.06 -0.54 0.00 0.00 175.26 174.26 1xo3 s PHE 11 N -3.89 2.67 0.00 5.30 0.08 -0.93 -1.24 117.98 119.98 1xo3 s PHE 11 Ca 0.07 -0.42 0.00 0.00 0.12 0.00 0.00 56.93 56.70 1xo3 s PHE 11 Cb 0.05 -1.68 0.00 0.00 -0.57 0.00 0.00 43.02 40.82 1xo3 s PHE 11 CO -0.09 -0.02 0.00 0.41 -0.10 0.00 0.00 175.22 175.42 1xo3 n GLY 12 N 2.79 0.00 2.32 4.36 0.00 0.11 -4.63 105.19 110.15 1xo3 n GLY 12 Ca -0.17 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.65 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 2.16 3.07 2.83 -0.02 0.00 -1.08 -4.30 105.19 107.85 1xo3 n GLY 13 Ca 0.00 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 45.01 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 3.20 0.17 0.20 -0.02 0.00 -1.26 -3.32 105.19 104.16 1xo3 n GLY 14 Ca 0.46 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.51 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 1.43 0.00 4.61 0.00 -1.84 -2.23 119.26 121.23 1xo3 h ALA 15 Ca 0.00 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 1xo3 h ALA 15 Cb 0.61 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 1xo3 h ALA 15 CO 0.00 0.42 -0.08 1.05 0.00 0.00 0.00 179.25 180.64 1xo3 h GLU 16 N 0.06 0.00 0.00 0.00 4.11 -1.82 -0.31 114.58 116.62 1xo3 h GLU 16 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.44 1xo3 h GLU 16 Cb 0.57 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.82 1xo3 h GLU 16 CO 0.04 0.08 0.00 1.28 0.07 0.00 0.00 179.01 180.48 1xo3 n LEU 17 N -4.26 0.55 0.18 3.06 4.77 -0.84 0.87 117.00 121.34 1xo3 n LEU 17 Ca -0.03 0.68 0.12 0.00 -0.03 0.00 0.00 56.01 56.75 1xo3 n LEU 17 Cb 0.16 -0.65 0.18 0.00 -2.33 0.00 0.00 43.42 40.78 1xo3 n LEU 17 CO 0.33 -0.66 0.69 -0.07 -1.33 0.00 0.00 177.39 176.36 1xo3 h LEU 18 N 0.00 0.00 -3.04 2.23 3.38 -1.19 -3.24 115.31 113.45 1xo3 h LEU 18 Ca 0.00 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1xo3 h LEU 18 Cb 0.22 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1xo3 h LEU 18 CO 0.00 0.00 -0.13 0.49 0.09 0.00 0.00 178.44 178.89 1xo3 n PHE 19 N -2.90 0.14 -2.73 1.13 3.72 0.11 -1.13 117.46 115.79 1xo3 n PHE 19 Ca 0.04 -1.14 -0.20 0.00 -0.05 0.00 0.00 57.45 56.09 1xo3 n PHE 19 Cb 0.52 -0.21 0.01 0.00 -0.94 0.00 0.00 39.48 38.86 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 -1.26 -5.31 0.00 4.37 2.03 -0.28 -2.90 116.55 113.19 1xo3 n ASP 20 Ca 0.18 -0.11 0.00 0.00 0.52 0.00 0.00 54.79 55.38 1xo3 n ASP 20 Cb 0.70 -4.39 0.00 0.00 -0.72 0.00 0.00 41.12 36.71 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 -1.16 1.55 3.68 0.27 0.00 0.25 -4.94 105.19 104.84 1xo3 n GLY 21 Ca -0.15 -0.04 -0.37 0.00 0.00 0.00 0.00 46.02 45.46 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 5.28 0.00 1.61 1.01 -1.14 -4.97 120.40 120.18 1xo3 s VAL 22 Ca 0.00 0.49 0.00 0.00 0.00 0.00 0.00 61.98 62.47 1xo3 s VAL 22 Cb 0.00 -3.63 0.00 0.00 0.00 0.00 0.00 36.38 32.75 1xo3 s VAL 22 CO 0.00 0.32 0.00 0.29 0.00 0.00 0.00 175.10 175.71 1xo3 n LYS 23 N 4.17 0.00 -2.81 2.72 5.02 -1.26 -4.25 118.16 121.74 1xo3 n LYS 23 Ca -0.11 0.00 -0.40 0.00 -2.02 0.00 0.00 58.31 55.78 1xo3 n LYS 23 Cb 0.52 -0.01 -0.06 0.00 -0.02 0.00 0.00 35.03 35.45 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 -0.62 4.78 -0.08 1.97 2.20 -1.26 -2.18 119.74 124.55 1xo3 s LYS 24 Ca 0.00 1.40 -0.12 0.00 -0.36 0.00 0.00 55.97 56.89 1xo3 s LYS 24 Cb 0.00 -3.28 0.03 0.00 -1.51 0.00 0.00 37.83 33.07 1xo3 s LYS 24 CO 0.00 0.53 0.31 -1.58 -0.36 0.00 0.00 175.35 174.25 1xo3 s HIS 25 N -1.15 -0.28 -0.03 4.03 2.46 0.27 -4.96 115.29 115.63 1xo3 s HIS 25 Ca 0.40 0.63 0.06 0.00 0.47 0.00 0.00 55.06 56.62 1xo3 s HIS 25 Cb -0.25 0.10 -0.01 0.00 -0.13 0.00 0.00 32.58 32.29 1xo3 s HIS 25 CO 0.30 -0.24 -0.22 -1.14 -2.47 0.00 0.00 174.74 170.97 1xo3 s GLN 26 N -0.36 1.90 -0.09 2.88 0.74 -1.26 -0.65 119.66 122.81 1xo3 s GLN 26 Ca -0.05 -0.78 -0.05 0.00 0.05 0.00 0.00 55.36 54.53 1xo3 s GLN 26 Cb -0.03 -1.77 0.04 0.00 1.10 0.00 0.00 33.01 32.35 1xo3 s GLN 26 CO 0.02 0.43 0.21 0.54 -0.55 0.00 0.00 175.29 175.94 1xo3 s VAL 27 N -0.40 -0.03 -0.11 1.34 0.11 -1.14 -5.01 120.40 115.17 1xo3 s VAL 27 Ca 0.05 0.12 -0.03 0.00 -2.93 0.00 0.00 61.98 59.19 1xo3 s VAL 27 Cb -0.10 -0.32 -0.03 0.00 -1.53 0.00 0.00 36.38 34.40 1xo3 s VAL 27 CO 0.00 0.05 0.02 0.00 -3.33 0.00 0.00 175.10 171.84 1xo3 s ALA 28 N 0.96 3.35 0.22 1.54 0.00 -1.26 -2.00 121.76 124.57 1xo3 s ALA 28 Ca -0.07 -0.78 -0.30 0.00 0.00 0.00 0.00 51.96 50.81 1xo3 s ALA 28 Cb -0.08 -1.61 -0.09 0.00 0.00 0.00 0.00 23.12 21.34 1xo3 s ALA 28 CO -0.06 0.51 1.32 -0.51 0.00 0.00 0.00 175.76 177.02 1xo3 s LEU 29 N -0.63 4.42 0.25 0.00 1.43 -1.02 -4.94 118.68 118.19 1xo3 s LEU 29 Ca 0.11 2.47 -0.05 0.00 -1.03 0.00 0.00 54.13 55.62 1xo3 s LEU 29 Cb -0.12 -3.62 0.30 0.00 0.03 0.00 0.00 46.19 42.79 1xo3 s LEU 29 CO 0.02 -0.55 1.91 -0.65 0.23 0.00 0.00 176.35 177.32 1xo3 h PRO 30 N 5.08 1.24 0.00 1.29 0.11 -1.98 -3.35 132.00 134.39 1xo3 h PRO 30 Ca -0.45 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.58 1xo3 h PRO 30 Cb 1.22 -0.28 0.00 0.00 0.11 0.00 0.00 31.00 32.05 1xo3 h PRO 30 CO 0.76 0.82 0.00 0.41 -0.21 0.00 0.00 178.00 179.78 1xo3 n GLY 31 N -1.37 -0.38 0.12 -0.55 0.00 -1.26 -4.73 105.19 97.03 1xo3 n GLY 31 Ca 0.13 0.31 0.12 0.00 0.00 0.00 0.00 46.02 46.58 1xo3 n GLY 31 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1xo3 h GLN 32 N 0.00 0.00 0.05 1.61 5.75 -2.01 -3.29 115.11 117.22 1xo3 h GLN 32 Ca 0.00 0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.50 1xo3 h GLN 32 Cb 0.00 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.55 1xo3 h GLN 32 CO 0.00 0.00 -0.02 1.49 -2.65 0.00 0.00 178.83 177.65 1xo3 h GLU 33 N 0.00 -0.07 -6.14 1.69 4.81 -1.99 -3.48 114.58 109.41 1xo3 h GLU 33 Ca 0.00 0.00 -0.31 0.00 -0.13 0.00 0.00 59.36 58.93 1xo3 h GLU 33 Cb 0.82 0.02 0.02 0.00 0.63 0.00 0.00 28.75 30.24 1xo3 h GLU 33 CO 0.00 0.05 -0.68 0.39 -0.73 0.00 0.00 179.01 178.04 1xo3 n GLU 34 N -5.07 -1.37 -0.24 1.92 1.02 -1.24 -4.90 120.64 110.76 1xo3 n GLU 34 Ca -0.08 0.93 0.08 0.00 -0.02 0.00 0.00 57.16 58.07 1xo3 n GLU 34 Cb 0.10 -3.97 0.21 0.00 -0.02 0.00 0.00 31.44 27.76 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 -2.75 2.11 -1.09 3.49 -0.04 -1.26 -4.39 135.00 131.07 1xo3 n PRO 35 Ca -0.15 -1.71 -0.24 0.00 -0.04 0.00 0.00 63.50 61.37 1xo3 n PRO 35 Cb 0.60 -1.37 0.11 0.00 -0.04 0.00 0.00 33.50 32.80 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 0.88 2.58 -1.15 0.54 5.03 -1.26 -4.79 117.44 119.28 1xo3 n TRP 36 Ca 0.16 -2.11 -0.34 0.00 3.03 0.00 0.00 57.50 58.24 1xo3 n TRP 36 Cb 0.40 -1.04 0.10 0.00 -1.03 0.00 0.00 31.31 29.75 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 -0.68 -0.11 -0.34 -0.99 9.92 -1.25 -4.61 116.55 118.50 1xo3 n ASP 37 Ca 0.50 0.56 0.06 0.00 -0.53 0.00 0.00 54.79 55.38 1xo3 n ASP 37 Cb 1.07 -1.37 0.24 0.00 -0.64 0.00 0.00 41.12 40.42 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 -0.74 1.00 -0.66 0.53 1.08 -1.56 0.12 117.51 117.28 1xo3 h ILE 38 Ca -0.46 -0.35 -0.00 0.00 -0.39 0.00 0.00 64.86 63.66 1xo3 h ILE 38 Cb 1.32 -0.12 -0.03 0.00 -3.07 0.00 0.00 36.82 34.92 1xo3 h ILE 38 CO 0.43 0.19 0.40 0.08 -0.69 0.00 0.00 178.15 178.56 1xo3 h ARG 39 N 1.03 0.89 -0.35 2.37 -0.00 -0.42 0.14 114.38 118.03 1xo3 h ARG 39 Ca 0.44 -0.08 -0.16 0.00 -0.00 0.00 0.00 59.98 60.18 1xo3 h ARG 39 Cb 0.34 -0.19 -0.01 0.00 -0.00 0.00 0.00 29.97 30.12 1xo3 h ARG 39 CO -0.20 0.63 -0.43 -0.91 -0.00 0.00 0.00 179.97 179.07 1xo3 h ASN 40 N 0.89 0.96 -0.09 0.08 2.35 -1.35 -2.62 115.58 115.79 1xo3 h ASN 40 Ca 0.24 -0.46 -0.11 0.00 -0.55 0.00 0.00 56.30 55.42 1xo3 h ASN 40 Cb -0.03 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.06 1xo3 h ASN 40 CO -0.04 1.25 -0.30 -0.07 -1.65 0.00 0.00 177.43 176.61 1xo3 h LEU 41 N 0.72 0.58 -0.95 1.61 -0.00 -0.84 -1.99 115.31 114.44 1xo3 h LEU 41 Ca 0.05 -0.22 0.07 0.00 -0.00 0.00 0.00 57.88 57.77 1xo3 h LEU 41 Cb 1.02 -0.16 -0.07 0.00 -0.00 0.00 0.00 40.66 41.45 1xo3 h LEU 41 CO 0.10 0.85 0.61 0.25 -0.00 0.00 0.00 178.44 180.25 1xo3 h LEU 42 N 0.49 0.96 -0.18 1.67 6.46 -0.60 0.14 115.31 124.24 1xo3 h LEU 42 Ca 0.06 0.01 -0.01 0.00 -0.12 0.00 0.00 57.88 57.82 1xo3 h LEU 42 Cb 0.77 -0.19 -0.01 0.00 -0.73 0.00 0.00 40.66 40.50 1xo3 h LEU 42 CO 0.06 0.61 0.07 0.58 -0.62 0.00 0.00 178.44 179.14 1xo3 h VAL 43 N 1.10 1.17 -0.56 1.05 2.07 -1.03 0.52 116.25 120.57 1xo3 h VAL 43 Ca 0.41 -0.53 0.07 0.00 0.82 0.00 0.00 66.70 67.48 1xo3 h VAL 43 Cb 0.18 1.18 -0.06 0.00 -1.52 0.00 0.00 31.29 31.07 1xo3 h VAL 43 CO -0.18 0.17 0.23 -0.25 0.02 0.00 0.00 177.57 177.56 1xo3 h TRP 44 N 0.13 0.41 0.19 1.57 2.91 -0.80 0.35 115.95 120.71 1xo3 h TRP 44 Ca 0.06 0.03 -0.01 0.00 1.13 0.00 0.00 58.89 60.10 1xo3 h TRP 44 Cb 0.20 -0.10 0.00 0.00 -0.51 0.00 0.00 29.16 28.75 1xo3 h TRP 44 CO -0.01 0.14 -0.09 0.82 -1.03 0.00 0.00 178.44 178.28 1xo3 h ILE 45 N 0.43 0.90 0.28 2.65 2.04 -0.32 -2.58 117.51 120.90 1xo3 h ILE 45 Ca 0.27 -0.43 -0.01 0.00 1.00 0.00 0.00 64.86 65.69 1xo3 h ILE 45 Cb 0.28 1.16 0.00 0.00 -0.74 0.00 0.00 36.82 37.52 1xo3 h ILE 45 CO -0.25 0.10 -0.13 0.50 0.00 0.00 0.00 178.15 178.37 1xo3 h LYS 46 N -0.46 -0.36 0.00 2.37 3.64 0.32 0.26 116.57 122.34 1xo3 h LYS 46 Ca -0.03 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1xo3 h LYS 46 Cb 0.36 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.26 1xo3 h LYS 46 CO 0.04 -0.01 0.00 1.63 -2.27 0.00 0.00 179.45 178.84 1xo3 n LYS 47 N -5.05 0.20 0.02 1.90 4.76 0.12 -2.91 118.16 117.21 1xo3 n LYS 47 Ca -0.08 0.36 0.00 0.00 -2.87 0.00 0.00 58.31 55.71 1xo3 n LYS 47 Cb 0.26 -1.84 0.00 0.00 -1.84 0.00 0.00 35.03 31.61 1xo3 n LYS 47 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 1xo3 n ASN 48 N -2.21 0.44 0.04 4.39 5.15 -0.98 -4.89 115.26 117.20 1xo3 n ASN 48 Ca 0.03 0.07 -0.09 0.00 -0.60 0.00 0.00 54.58 53.99 1xo3 n ASN 48 Cb 0.28 -0.12 -0.13 0.00 -0.53 0.00 0.00 39.78 39.28 1xo3 n ASN 48 CO 0.00 0.00 0.00 0.25 1.40 0.00 0.00 177.26 178.91 1xo3 h LEU 49 N 0.00 0.07 -9.14 1.20 5.85 -0.77 -3.45 115.31 109.07 1xo3 h LEU 49 Ca 0.00 -0.09 -0.56 0.00 0.84 0.00 0.00 57.88 58.07 1xo3 h LEU 49 Cb 0.54 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.55 1xo3 h LEU 49 CO 0.00 1.07 1.32 -0.22 -0.34 0.00 0.00 178.44 180.27 1xo3 s LEU 50 N -6.59 3.93 0.02 2.25 1.98 0.67 -4.65 118.68 116.29 1xo3 s LEU 50 Ca -0.02 2.14 0.20 0.00 -2.89 0.00 0.00 54.13 53.57 1xo3 s LEU 50 Cb 0.09 -3.52 -0.20 0.00 0.66 0.00 0.00 46.19 43.22 1xo3 s LEU 50 CO 0.83 -1.46 0.64 0.29 -1.89 0.00 0.00 176.35 174.75 1xo3 n LYS 51 N 8.05 0.64 -0.09 1.98 5.02 -0.28 -4.94 118.16 128.55 1xo3 n LYS 51 Ca 0.24 -0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.52 1xo3 n LYS 51 Cb 0.43 -1.66 0.00 0.00 -0.02 0.00 0.00 35.03 33.79 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 -2.57 1.74 -2.88 1.97 -0.00 -1.12 -5.01 120.64 112.78 1xo3 n GLU 52 Ca -0.08 0.00 -0.43 0.00 -0.00 0.00 0.00 57.16 56.65 1xo3 n GLU 52 Cb 0.70 0.00 -0.04 0.00 -0.00 0.00 0.00 31.44 32.10 1xo3 n GLU 52 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.13 176.15 1xo3 s ARG 53 N 0.80 3.17 0.00 3.44 1.70 -1.26 -4.91 118.95 121.90 1xo3 s ARG 53 Ca 0.00 -0.68 0.09 0.00 -0.47 0.00 0.00 55.73 54.67 1xo3 s ARG 53 Cb 0.00 -4.17 0.47 0.00 -0.57 0.00 0.00 34.95 30.68 1xo3 s ARG 53 CO 0.00 -1.67 1.07 -2.30 -1.08 0.00 0.00 175.30 171.32 1xo3 n PRO 54 N 7.51 0.19 0.25 3.89 -0.02 -1.26 -2.96 135.00 142.60 1xo3 n PRO 54 Ca -0.02 0.12 0.12 0.00 -2.02 0.00 0.00 63.50 61.70 1xo3 n PRO 54 Cb 0.46 -1.50 0.61 0.00 -0.02 0.00 0.00 33.50 33.05 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 0.00 -0.12 -0.52 4.39 -1.93 -1.36 114.58 115.04 1xo3 h GLU 55 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1xo3 h GLU 55 Cb 0.05 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.70 1xo3 h GLU 55 CO 0.00 0.15 0.00 1.47 -1.16 0.00 0.00 179.01 179.47 1xo3 n LEU 56 N -3.41 2.55 0.00 1.33 -0.00 -1.15 -4.95 117.00 111.36 1xo3 n LEU 56 Ca -0.01 -1.20 0.00 0.00 -0.00 0.00 0.00 56.01 54.80 1xo3 n LEU 56 Cb 0.33 -0.07 0.00 0.00 -0.00 0.00 0.00 43.42 43.69 1xo3 n LEU 56 CO 0.31 0.50 0.00 0.33 -0.00 0.00 0.00 177.39 178.53 1xo3 n PHE 57 N 0.92 -2.44 -1.71 1.47 7.35 -0.51 -5.02 117.46 117.51 1xo3 n PHE 57 Ca 0.11 0.00 -0.31 0.00 -0.76 0.00 0.00 57.45 56.49 1xo3 n PHE 57 Cb 0.42 0.00 0.03 0.00 0.35 0.00 0.00 39.48 40.29 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 -0.27 4.15 0.54 -2.13 -4.36 -1.26 -4.64 121.20 113.23 1xo3 s ILE 58 Ca 0.00 0.75 -0.21 0.00 -0.26 0.00 0.00 60.65 60.93 1xo3 s ILE 58 Cb 0.00 -3.50 -0.05 0.00 1.25 0.00 0.00 42.46 40.16 1xo3 s ILE 58 CO 0.00 -0.87 1.27 0.00 0.24 0.00 0.00 174.94 175.58 1xo3 s GLN 59 N -4.92 3.20 0.00 0.37 -2.07 -1.26 -4.70 119.66 110.28 1xo3 s GLN 59 Ca 0.58 2.01 -0.03 0.00 -1.82 0.00 0.00 55.36 56.11 1xo3 s GLN 59 Cb -0.13 -2.18 -0.11 0.00 -1.09 0.00 0.00 33.01 29.49 1xo3 s GLN 59 CO 0.52 -1.08 1.99 0.41 -1.32 0.00 0.00 175.29 175.81 1xo3 n GLY 60 N 0.62 2.01 2.07 2.60 0.00 -1.26 -3.48 105.19 107.75 1xo3 n GLY 60 Ca 0.11 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.62 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 2.45 -1.34 0.00 1.61 8.00 -1.26 -4.94 116.55 121.07 1xo3 n ASP 61 Ca 0.18 0.53 0.00 0.00 0.71 0.00 0.00 54.79 56.21 1xo3 n ASP 61 Cb 0.46 1.41 0.00 0.00 -0.02 0.00 0.00 41.12 42.97 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 -3.30 0.00 -3.55 -2.24 2.88 -1.23 -3.70 113.62 102.49 1xo3 n SER 62 Ca 0.00 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.46 1xo3 n SER 62 Cb 0.00 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.44 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 -0.79 0.00 0.77 2.46 -7.23 -1.26 -4.84 120.40 109.51 1xo3 s VAL 63 Ca 0.00 -0.17 -0.12 0.00 -1.81 0.00 0.00 61.98 59.89 1xo3 s VAL 63 Cb 0.00 -1.23 0.06 0.00 0.56 0.00 0.00 36.38 35.77 1xo3 s VAL 63 CO 0.00 0.00 1.10 0.00 -0.31 0.00 0.00 175.10 175.89 1xo3 s ARG 64 N -3.33 2.29 0.60 4.82 1.70 -1.26 -3.99 118.95 119.79 1xo3 s ARG 64 Ca 0.06 0.54 0.30 0.00 -0.47 0.00 0.00 55.73 56.16 1xo3 s ARG 64 Cb -0.01 -1.95 1.73 0.00 -0.57 0.00 0.00 34.95 34.14 1xo3 s ARG 64 CO -0.07 -1.46 2.10 -1.35 -1.08 0.00 0.00 175.30 173.45 1xo3 h PRO 65 N -0.97 0.00 0.08 3.89 0.11 -1.98 -2.75 132.00 130.38 1xo3 h PRO 65 Ca -0.46 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.64 1xo3 h PRO 65 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1xo3 h PRO 65 CO 0.61 0.00 -0.04 0.78 -0.21 0.00 0.00 178.00 179.14 1xo3 h GLY 66 N 0.00 -0.11 -5.29 -0.55 0.00 -1.93 -3.45 103.07 91.74 1xo3 h GLY 66 Ca 0.07 0.04 -0.60 0.00 0.00 0.00 0.00 47.33 46.84 1xo3 h GLY 66 CO -0.00 -0.04 -0.22 -0.42 0.00 0.00 0.00 176.54 175.86 1xo3 s ILE 67 N -3.59 5.13 0.16 2.60 1.01 -1.04 -0.67 121.20 124.80 1xo3 s ILE 67 Ca -0.15 0.78 0.05 0.00 0.00 0.00 0.00 60.65 61.34 1xo3 s ILE 67 Cb 0.00 -3.70 -0.04 0.00 0.01 0.00 0.00 42.46 38.73 1xo3 s ILE 67 CO 0.58 0.50 0.11 -0.76 0.00 0.00 0.00 174.94 175.37 1xo3 s LEU 68 N -0.48 3.71 -0.14 2.97 1.43 0.23 -4.01 118.68 122.38 1xo3 s LEU 68 Ca 0.23 -0.17 -0.00 0.00 -1.03 0.00 0.00 54.13 53.15 1xo3 s LEU 68 Cb -0.16 -2.33 -0.01 0.00 0.03 0.00 0.00 46.19 43.72 1xo3 s LEU 68 CO 0.11 0.08 -0.13 -0.69 0.23 0.00 0.00 176.35 175.95 1xo3 s VAL 69 N -1.72 3.03 -0.37 -1.59 1.01 -1.26 0.61 120.40 120.11 1xo3 s VAL 69 Ca 0.30 -0.66 -0.19 0.00 0.00 0.00 0.00 61.98 61.42 1xo3 s VAL 69 Cb -0.10 -2.28 0.01 0.00 0.00 0.00 0.00 36.38 34.00 1xo3 s VAL 69 CO 0.22 0.52 0.58 -0.76 0.00 0.00 0.00 175.10 175.66 1xo3 s LEU 70 N 0.47 4.37 -0.50 3.92 1.43 0.62 -1.54 118.68 127.46 1xo3 s LEU 70 Ca -0.09 -0.05 -0.25 0.00 -1.03 0.00 0.00 54.13 52.71 1xo3 s LEU 70 Cb -0.16 -2.68 0.03 0.00 0.03 0.00 0.00 46.19 43.42 1xo3 s LEU 70 CO 0.04 -0.58 0.92 -0.63 0.23 0.00 0.00 176.35 176.33 1xo3 s ILE 71 N 2.58 4.45 0.00 -0.59 -1.09 0.67 -1.63 121.20 125.59 1xo3 s ILE 71 Ca 0.21 0.51 0.00 0.00 -2.23 0.00 0.00 60.65 59.15 1xo3 s ILE 71 Cb -0.15 -4.47 0.00 0.00 -1.58 0.00 0.00 42.46 36.26 1xo3 s ILE 71 CO 0.15 -0.94 0.00 0.59 -1.23 0.00 0.00 174.94 173.51 1xo3 n ASN 72 N 7.25 0.00 -0.38 3.58 4.13 -0.69 -1.42 115.26 127.73 1xo3 n ASN 72 Ca 0.04 0.00 -0.01 0.00 1.68 0.00 0.00 54.58 56.29 1xo3 n ASN 72 Cb 0.48 0.00 -0.01 0.00 -1.54 0.00 0.00 39.78 38.71 1xo3 n ASN 72 CO 0.00 0.00 0.00 -0.90 0.28 0.00 0.00 177.26 176.64 1xo3 n ASP 73 N 3.36 -0.14 -4.16 6.41 5.75 -1.26 -3.17 116.55 123.34 1xo3 n ASP 73 Ca 0.00 -0.47 -0.20 0.00 -0.01 0.00 0.00 54.79 54.11 1xo3 n ASP 73 Cb 0.00 0.04 -0.09 0.00 -1.03 0.00 0.00 41.12 40.04 1xo3 n ASP 73 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1xo3 s ALA 74 N 0.00 2.14 -0.24 2.12 0.00 -0.51 -5.00 121.76 120.27 1xo3 s ALA 74 Ca 0.00 -1.74 -0.28 0.00 0.00 0.00 0.00 51.96 49.94 1xo3 s ALA 74 Cb 0.00 0.98 -0.04 0.00 0.00 0.00 0.00 23.12 24.06 1xo3 s ALA 74 CO 0.00 -0.43 2.09 -0.51 0.00 0.00 0.00 175.76 176.90 1xo3 s ASP 75 N -3.42 5.61 0.20 0.00 1.11 -1.26 -0.24 116.67 118.67 1xo3 s ASP 75 Ca 0.34 1.75 -0.14 0.00 0.18 0.00 0.00 52.55 54.68 1xo3 s ASP 75 Cb 0.06 -2.52 0.20 0.00 1.07 0.00 0.00 42.92 41.73 1xo3 s ASP 75 CO 0.16 -1.86 1.65 4.11 1.18 0.00 0.00 175.17 180.41 1xo3 h TRP 76 N 14.28 -0.23 -0.05 4.23 -0.00 -1.62 -2.45 115.95 130.11 1xo3 h TRP 76 Ca -0.39 0.05 -0.04 0.00 -0.00 0.00 0.00 58.89 58.51 1xo3 h TRP 76 Cb 1.22 0.19 -0.01 0.00 -0.00 0.00 0.00 29.16 30.56 1xo3 h TRP 76 CO 0.94 -0.21 -0.13 1.05 -0.00 0.00 0.00 178.44 180.09 1xo3 h GLU 77 N 0.03 0.08 -0.01 0.12 4.11 -1.90 0.73 114.58 117.74 1xo3 h GLU 77 Ca 0.27 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.68 1xo3 h GLU 77 Cb 0.42 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.65 1xo3 h GLU 77 CO -0.54 0.22 -0.19 1.28 0.07 0.00 0.00 179.01 179.85 1xo3 n LEU 78 N -4.34 1.06 -0.04 3.06 4.77 -0.95 -4.03 117.00 116.52 1xo3 n LEU 78 Ca -0.02 -0.28 -0.04 0.00 -0.03 0.00 0.00 56.01 55.64 1xo3 n LEU 78 Cb 0.23 -0.10 -0.07 0.00 -2.33 0.00 0.00 43.42 41.14 1xo3 n LEU 78 CO 0.36 0.19 -0.80 0.18 -1.33 0.00 0.00 177.39 176.00 1xo3 n LEU 79 N -0.51 0.00 0.00 2.23 4.32 -0.09 -5.01 117.00 117.93 1xo3 n LEU 79 Ca 0.14 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.13 1xo3 n LEU 79 Cb 0.34 0.22 0.00 0.00 -1.62 0.00 0.00 43.42 42.36 1xo3 n LEU 79 CO 0.24 0.22 0.00 0.61 -1.22 0.00 0.00 177.39 177.24 1xo3 n GLY 80 N 2.40 0.92 7.00 -0.72 0.00 -0.02 -5.09 105.19 109.68 1xo3 n GLY 80 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 0.04 -3.09 120.64 119.11 1xo3 n GLU 81 Ca 0.00 0.00 -0.01 0.00 -0.16 0.00 0.00 57.16 56.99 1xo3 n GLU 81 Cb 0.00 0.00 0.04 0.00 1.43 0.00 0.00 31.44 32.91 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 -0.64 -3.83 -1.84 -0.00 -1.26 -2.49 117.00 106.94 1xo3 n LEU 82 Ca 0.00 1.71 -0.42 0.00 -0.00 0.00 0.00 56.01 57.29 1xo3 n LEU 82 Cb 0.00 -0.39 0.00 0.00 -0.00 0.00 0.00 43.42 43.04 1xo3 n LEU 82 CO 0.00 -1.53 1.96 0.47 -0.00 0.00 0.00 177.39 178.29 1xo3 n ASP 83 N -5.44 5.38 -4.44 1.45 8.00 -1.18 0.09 116.55 120.42 1xo3 n ASP 83 Ca 0.10 -3.13 -0.35 0.00 0.71 0.00 0.00 54.79 52.12 1xo3 n ASP 83 Cb 0.39 -1.46 -0.13 0.00 -0.02 0.00 0.00 41.12 39.91 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 0.10 3.04 -1.47 1.24 6.14 -1.04 -4.96 117.35 120.42 1xo3 s TYR 84 Ca 0.40 -0.48 0.00 0.00 0.64 0.00 0.00 57.07 57.63 1xo3 s TYR 84 Cb 0.10 -2.11 0.00 0.00 0.42 0.00 0.00 41.96 40.37 1xo3 s TYR 84 CO 0.00 -0.28 0.65 0.00 0.64 0.00 0.00 175.55 176.56 1xo3 n GLN 85 N 4.39 0.88 -1.68 4.97 0.00 -1.26 -3.77 117.38 120.91 1xo3 n GLN 85 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 57.00 56.83 1xo3 n GLN 85 Cb 0.52 -1.23 0.00 0.00 0.00 0.00 0.00 30.24 29.52 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 -0.20 -2.02 0.00 2.61 7.99 -1.26 -4.90 117.00 119.21 1xo3 n LEU 86 Ca 0.00 3.13 -0.01 0.00 -0.01 0.00 0.00 56.01 59.12 1xo3 n LEU 86 Cb 0.12 -3.32 -0.00 0.00 -0.11 0.00 0.00 43.42 40.10 1xo3 n LEU 86 CO 0.00 -0.25 -0.06 0.00 -1.51 0.00 0.00 177.39 175.57 1xo3 n GLN 87 N -1.86 0.04 0.00 3.23 0.00 -1.26 -5.11 117.38 112.43 1xo3 n GLN 87 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 57.00 57.02 1xo3 n GLN 87 Cb 0.28 -0.33 0.00 0.00 0.00 0.00 0.00 30.24 30.19 1xo3 n GLN 87 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.06 176.66 1xo3 n ASP 88 N -2.83 0.00 -1.85 2.61 5.75 -1.26 -4.88 116.55 114.08 1xo3 n ASP 88 Ca -0.01 0.00 -0.20 0.00 -0.01 0.00 0.00 54.79 54.56 1xo3 n ASP 88 Cb 0.04 0.00 -0.06 0.00 -1.03 0.00 0.00 41.12 40.08 1xo3 n ASP 88 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1xo3 n GLN 89 N 0.00 -1.49 -1.61 0.11 1.13 -0.85 -4.86 117.38 109.81 1xo3 n GLN 89 Ca 0.00 1.13 -0.44 0.00 -1.94 0.00 0.00 57.00 55.75 1xo3 n GLN 89 Cb 0.00 -5.59 -0.04 0.00 0.11 0.00 0.00 30.24 24.72 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 -1.51 3.46 -4.40 1.08 9.92 -1.25 -4.71 116.55 119.13 1xo3 n ASP 90 Ca -0.22 0.51 -0.44 0.00 -0.53 0.00 0.00 54.79 54.11 1xo3 n ASP 90 Cb 0.67 -1.50 -0.04 0.00 -0.64 0.00 0.00 41.12 39.62 1xo3 n ASP 90 CO 0.00 0.00 0.00 -0.44 0.13 0.00 0.00 177.20 176.89 1xo3 s SER 91 N 6.63 6.35 -0.49 -2.24 0.01 -1.19 0.68 113.70 123.44 1xo3 s SER 91 Ca 0.97 -1.61 -0.22 0.00 1.31 0.00 0.00 55.95 56.40 1xo3 s SER 91 Cb -0.45 -2.34 0.04 0.00 0.21 0.00 0.00 66.02 63.48 1xo3 s SER 91 CO 0.40 -1.12 0.80 -0.63 0.41 0.00 0.00 173.24 173.10 1xo3 s ILE 92 N 2.74 4.62 -0.13 1.44 -1.09 0.22 -1.71 121.20 127.28 1xo3 s ILE 92 Ca 0.19 0.17 0.01 0.00 -2.23 0.00 0.00 60.65 58.80 1xo3 s ILE 92 Cb -0.17 -4.38 -0.01 0.00 -1.58 0.00 0.00 42.46 36.32 1xo3 s ILE 92 CO 0.02 -0.86 -0.16 -0.22 -1.23 0.00 0.00 174.94 172.49 1xo3 s LEU 93 N 3.35 2.53 -0.34 2.97 0.20 -0.65 -1.10 118.68 125.64 1xo3 s LEU 93 Ca 0.27 -0.41 -0.19 0.00 0.69 0.00 0.00 54.13 54.48 1xo3 s LEU 93 Cb -0.14 -1.56 -0.00 0.00 -0.43 0.00 0.00 46.19 44.06 1xo3 s LEU 93 CO 0.19 0.15 0.58 -0.36 -0.29 0.00 0.00 176.35 176.62 1xo3 s PHE 94 N 0.44 3.18 -0.30 5.38 0.40 -0.37 -0.27 117.98 126.43 1xo3 s PHE 94 Ca -0.12 0.34 0.03 0.00 -0.60 0.00 0.00 56.93 56.59 1xo3 s PHE 94 Cb -0.16 -3.02 0.08 0.00 0.51 0.00 0.00 43.02 40.43 1xo3 s PHE 94 CO 0.05 -0.55 -0.03 0.42 0.70 0.00 0.00 175.22 175.82 1xo3 s ILE 95 N 2.56 2.13 -0.28 0.64 -1.09 0.20 -0.71 121.20 124.65 1xo3 s ILE 95 Ca 0.22 -1.93 -0.29 0.00 -2.23 0.00 0.00 60.65 56.43 1xo3 s ILE 95 Cb -0.15 -2.41 -0.00 0.00 -1.58 0.00 0.00 42.46 38.32 1xo3 s ILE 95 CO 0.13 -0.32 1.33 -0.55 -1.23 0.00 0.00 174.94 174.31 1xo3 s SER 96 N 1.05 6.66 0.17 3.58 0.15 -1.21 0.75 113.70 124.85 1xo3 s SER 96 Ca 0.01 1.28 0.25 0.00 0.70 0.00 0.00 55.95 58.19 1xo3 s SER 96 Cb -0.19 -2.54 0.56 0.00 -1.71 0.00 0.00 66.02 62.13 1xo3 s SER 96 CO -0.07 -1.07 1.54 0.00 1.20 0.00 0.00 173.24 174.83 1xo3 h THR 97 N 5.94 0.00 -4.21 6.45 1.03 -1.20 -3.42 112.91 117.50 1xo3 h THR 97 Ca -0.27 -0.51 -0.24 0.00 -0.01 0.00 0.00 66.41 65.38 1xo3 h THR 97 Cb 1.10 1.30 -0.15 0.00 -1.07 0.00 0.00 68.15 69.33 1xo3 h THR 97 CO 1.03 0.00 -0.64 -1.48 -0.01 0.00 0.00 175.52 174.41 1xo3 s LEU 98 N -4.45 1.73 0.09 0.00 0.05 -1.24 -5.06 118.68 109.80 1xo3 s LEU 98 Ca 0.08 -1.25 -0.13 0.00 0.05 0.00 0.00 54.13 52.88 1xo3 s LEU 98 Cb 0.13 0.19 -0.18 0.00 -2.05 0.00 0.00 46.19 44.28 1xo3 s LEU 98 CO 0.66 -0.71 1.26 -0.74 -0.55 0.00 0.00 176.35 176.27 1xo3 h HIS 99 N 2.72 1.04 -0.00 3.48 -0.00 -1.93 -3.47 115.15 116.99 1xo3 h HIS 99 Ca -0.36 -0.51 0.00 0.00 -0.00 0.00 0.00 60.37 59.50 1xo3 h HIS 99 Cb 1.22 -0.14 0.00 0.00 -0.00 0.00 0.00 27.41 28.48 1xo3 h HIS 99 CO 0.45 1.34 0.00 0.41 -0.00 0.00 0.00 177.93 180.13 1xo3 n GLY 100 N 0.87 1.78 0.00 5.26 0.00 -1.26 -5.13 105.19 106.71 1xo3 n GLY 100 Ca -0.09 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.82 1xo3 n GLY 100 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93