#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nre s GLU 18 N 0.00 3.41 0.00 1.61 1.03 -1.26 -4.94 118.70 118.55 1nre s GLU 18 Ca 0.00 -0.64 0.24 0.00 0.03 0.00 0.00 54.97 54.60 1nre s GLU 18 Cb 0.00 -2.84 0.26 0.00 -0.80 0.00 0.00 34.13 30.75 1nre s GLU 18 CO 0.00 0.01 1.29 0.39 -1.33 0.00 0.00 175.26 175.62 1nre n GLU 19 N 4.15 2.12 -4.43 -4.83 1.02 -1.26 -4.96 120.64 112.45 1nre n GLU 19 Ca -0.18 -1.71 -0.22 0.00 -0.02 0.00 0.00 57.16 55.03 1nre n GLU 19 Cb 0.52 -1.46 -0.10 0.00 -0.02 0.00 0.00 31.44 30.37 1nre n GLU 19 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 1nre s PHE 20 N -2.06 2.04 -0.52 -0.32 0.40 -1.26 -5.03 117.98 111.23 1nre s PHE 20 Ca 0.28 -0.53 0.24 0.00 -0.60 0.00 0.00 56.93 56.32 1nre s PHE 20 Cb 0.20 -1.03 0.42 0.00 0.51 0.00 0.00 43.02 43.13 1nre s PHE 20 CO 0.34 0.47 1.54 0.00 0.70 0.00 0.00 175.22 178.27 1nre h ARG 21 N 2.32 0.00 -5.90 0.44 -0.00 -1.97 -3.45 114.38 105.81 1nre h ARG 21 Ca -0.40 0.00 -0.67 0.00 -0.50 0.00 0.00 59.98 58.41 1nre h ARG 21 Cb 1.24 0.00 -0.22 0.00 0.00 0.00 0.00 29.97 30.99 1nre h ARG 21 CO 0.64 0.00 -0.72 -1.64 0.00 0.00 0.00 179.97 178.25 1nre s MET 22 N -3.20 2.95 0.39 0.04 -1.94 -1.26 -5.00 119.30 111.28 1nre s MET 22 Ca 0.07 -0.61 0.13 0.00 -1.71 0.00 0.00 55.69 53.57 1nre s MET 22 Cb 0.09 -2.59 0.94 0.00 2.01 0.00 0.00 34.83 35.27 1nre s MET 22 CO 0.67 0.50 1.87 1.49 -0.01 0.00 0.00 175.02 179.55 1nre h GLU 23 N 5.77 0.54 -0.78 2.03 4.81 -1.99 -1.04 114.58 123.92 1nre h GLU 23 Ca -0.41 -0.03 0.06 0.00 -0.13 0.00 0.00 59.36 58.85 1nre h GLU 23 Cb 1.18 -0.12 -0.06 0.00 0.63 0.00 0.00 28.75 30.38 1nre h GLU 23 CO 0.54 0.36 0.47 1.57 -0.73 0.00 0.00 179.01 181.22 1nre h LYS 24 N 0.55 0.84 -0.10 1.92 2.10 -1.98 0.71 116.57 120.62 1nre h LYS 24 Ca 0.44 -0.05 -0.11 0.00 -2.00 0.00 0.00 60.65 58.94 1nre h LYS 24 Cb 0.88 -0.19 0.00 0.00 -0.90 0.00 0.00 32.23 32.02 1nre h LYS 24 CO -0.19 0.55 -0.36 -0.07 -2.00 0.00 0.00 179.45 177.39 1nre h LEU 25 N 0.86 0.48 0.09 7.07 3.38 -1.61 -0.26 115.31 125.33 1nre h LEU 25 Ca 0.34 -0.62 -0.00 0.00 0.09 0.00 0.00 57.88 57.68 1nre h LEU 25 Cb 0.17 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1nre h LEU 25 CO -0.17 1.02 -0.04 0.78 0.09 0.00 0.00 178.44 180.12 1nre h ASN 26 N -0.03 -0.10 -0.58 -0.43 2.35 -1.05 0.48 115.58 116.21 1nre h ASN 26 Ca -0.02 -0.07 0.05 0.00 -0.55 0.00 0.00 56.30 55.71 1nre h ASN 26 Cb 0.99 0.03 -0.05 0.00 0.05 0.00 0.00 38.32 39.34 1nre h ASN 26 CO 0.08 0.01 0.31 1.56 -1.65 0.00 0.00 177.43 177.73 1nre h GLN 27 N -0.21 0.58 0.20 0.81 4.20 0.38 0.61 115.11 121.68 1nre h GLN 27 Ca -0.01 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.65 1nre h GLN 27 Cb 0.17 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 27.82 1nre h GLN 27 CO 0.02 0.38 -0.10 -0.07 -0.67 0.00 0.00 178.83 178.39 1nre h LEU 28 N 0.59 -0.23 0.62 1.46 4.07 -0.66 0.42 115.31 121.58 1nre h LEU 28 Ca 0.26 -0.06 -0.03 0.00 0.08 0.00 0.00 57.88 58.13 1nre h LEU 28 Cb 0.15 0.06 -0.00 0.00 1.08 0.00 0.00 40.66 41.94 1nre h LEU 28 CO -0.16 -0.09 -0.36 -0.25 -1.08 0.00 0.00 178.44 176.49 1nre h TRP 29 N -0.36 -0.96 -0.97 1.13 -0.00 0.43 0.15 115.95 115.37 1nre h TRP 29 Ca -0.03 -0.01 0.07 0.00 -0.00 0.00 0.00 58.89 58.92 1nre h TRP 29 Cb 0.28 0.34 -0.07 0.00 -0.00 0.00 0.00 29.16 29.71 1nre h TRP 29 CO -0.04 -0.56 0.63 0.93 -0.00 0.00 0.00 178.44 179.40 1nre h GLU 30 N -0.92 1.06 -0.38 2.65 5.08 0.23 -0.98 114.58 121.33 1nre h GLU 30 Ca -0.08 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.20 1nre h GLU 30 Cb 0.74 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 29.73 1nre h GLU 30 CO 0.09 0.70 0.16 -0.22 -1.00 0.00 0.00 179.01 178.75 1nre h LYS 31 N 1.10 0.55 -0.65 2.33 3.64 0.24 0.35 116.57 124.13 1nre h LYS 31 Ca 0.43 -0.09 0.13 0.00 -1.27 0.00 0.00 60.65 59.84 1nre h LYS 31 Cb 0.23 -0.09 -0.09 0.00 -0.41 0.00 0.00 32.23 31.86 1nre h LYS 31 CO -0.18 0.52 0.14 0.00 -2.27 0.00 0.00 179.45 177.66 1nre h ALA 32 N 1.01 0.78 -0.41 5.00 0.00 0.54 0.37 119.26 126.57 1nre h ALA 32 Ca 0.13 0.14 0.03 0.00 0.00 0.00 0.00 54.91 55.21 1nre h ALA 32 Cb 0.16 0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 1nre h ALA 32 CO -0.01 -0.31 0.22 1.96 0.00 0.00 0.00 179.25 181.10 1nre h GLN 33 N 0.26 0.43 -0.76 0.00 4.20 -0.58 -1.40 115.11 117.25 1nre h GLN 33 Ca 0.35 -0.03 0.12 0.00 0.06 0.00 0.00 58.65 59.15 1nre h GLN 33 Cb 0.54 -0.10 -0.05 0.00 0.30 0.00 0.00 27.48 28.17 1nre h GLN 33 CO -0.44 0.28 0.50 -0.09 -0.67 0.00 0.00 178.83 178.41 1nre h ARG 34 N 0.44 0.57 0.00 1.46 2.43 0.17 0.14 114.38 119.59 1nre h ARG 34 Ca 0.17 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 1nre h ARG 34 Cb 0.05 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.47 1nre h ARG 34 CO -0.10 0.38 0.00 1.28 -1.51 0.00 0.00 179.97 180.01 1nre n LEU 35 N -4.50 0.00 -2.61 3.80 4.32 0.37 -4.86 117.00 113.52 1nre n LEU 35 Ca 0.14 0.00 -0.18 0.00 -0.02 0.00 0.00 56.01 55.95 1nre n LEU 35 Cb 0.41 0.00 0.04 0.00 -1.62 0.00 0.00 43.42 42.25 1nre n LEU 35 CO 0.32 0.00 0.10 1.41 -1.22 0.00 0.00 177.39 178.00 1nre n HIS 36 N -0.92 -1.86 -1.79 -1.77 8.25 0.49 -4.97 115.22 112.64 1nre n HIS 36 Ca 0.14 0.60 -0.35 0.00 -0.26 0.00 0.00 57.72 57.84 1nre n HIS 36 Cb 0.06 -3.88 0.05 0.00 1.12 0.00 0.00 29.99 27.35 1nre n HIS 36 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1nre s LEU 37 N -5.50 3.51 0.80 2.41 1.43 -1.18 -4.99 118.68 115.16 1nre s LEU 37 Ca 0.34 2.31 -0.11 0.00 -1.03 0.00 0.00 54.13 55.64 1nre s LEU 37 Cb -0.15 -4.59 0.07 0.00 0.03 0.00 0.00 46.19 41.56 1nre s LEU 37 CO 0.43 -1.80 1.09 -2.16 0.23 0.00 0.00 176.35 174.13 1nre s PRO 38 N -3.64 2.01 0.50 1.29 0.04 -1.26 -4.77 135.00 129.17 1nre s PRO 38 Ca 0.75 0.85 0.15 0.00 0.04 0.00 0.00 61.00 62.78 1nre s PRO 38 Cb -0.28 -1.89 1.20 0.00 0.04 0.00 0.00 34.50 33.56 1nre s PRO 38 CO 0.38 -1.72 2.12 -1.00 0.04 0.00 0.00 177.00 176.82 1nre h PRO 39 N -1.17 0.11 -0.09 0.56 0.13 -1.98 -0.73 132.00 128.82 1nre h PRO 39 Ca -0.47 -0.01 -0.02 0.00 -0.87 0.00 0.00 66.00 64.63 1nre h PRO 39 Cb 1.26 -0.02 -0.00 0.00 0.13 0.00 0.00 31.00 32.36 1nre h PRO 39 CO 0.56 0.07 -0.04 -0.24 -0.23 0.00 0.00 178.00 178.12 1nre h VAL 40 N 0.11 1.31 -0.38 1.56 3.04 -1.98 0.24 116.25 120.15 1nre h VAL 40 Ca 0.05 -1.02 -0.08 0.00 -1.01 0.00 0.00 66.70 64.64 1nre h VAL 40 Cb 0.07 1.79 -0.02 0.00 -2.01 0.00 0.00 31.29 31.13 1nre h VAL 40 CO -0.01 0.29 -0.09 0.03 -1.01 0.00 0.00 177.57 176.77 1nre h ARG 41 N -0.16 0.66 -0.42 4.17 3.08 -1.81 0.26 114.38 120.17 1nre h ARG 41 Ca 0.02 -0.20 -0.14 0.00 0.07 0.00 0.00 59.98 59.73 1nre h ARG 41 Cb 0.47 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.44 1nre h ARG 41 CO 0.01 0.75 -0.30 -0.07 -1.07 0.00 0.00 179.97 179.29 1nre h LEU 42 N 0.61 0.96 0.24 3.04 3.38 -1.04 0.58 115.31 123.06 1nre h LEU 42 Ca 0.11 -0.39 -0.01 0.00 0.09 0.00 0.00 57.88 57.67 1nre h LEU 42 Cb 0.52 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.01 1nre h LEU 42 CO 0.03 1.18 -0.11 0.00 0.09 0.00 0.00 178.44 179.62 1nre h ALA 43 N 0.88 -0.32 -0.51 1.53 0.00 0.06 0.30 119.26 121.20 1nre h ALA 43 Ca 0.08 -0.17 0.05 0.00 0.00 0.00 0.00 54.91 54.88 1nre h ALA 43 Cb 0.87 0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.73 1nre h ALA 43 CO 0.08 -0.53 0.23 0.93 0.00 0.00 0.00 179.25 179.96 1nre h GLU 44 N -0.62 0.43 -0.03 0.00 5.08 -0.47 -1.37 114.58 117.61 1nre h GLU 44 Ca -0.03 -0.03 0.02 0.00 -1.00 0.00 0.00 59.36 58.33 1nre h GLU 44 Cb 0.44 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.57 1nre h GLU 44 CO 0.05 0.29 -0.12 1.25 -1.00 0.00 0.00 179.01 179.48 1nre h LEU 45 N 0.45 -0.36 -0.64 1.33 5.85 0.34 -0.85 115.31 121.43 1nre h LEU 45 Ca 0.23 0.06 0.11 0.00 0.84 0.00 0.00 57.88 59.11 1nre h LEU 45 Cb 0.18 0.16 -0.08 0.00 0.37 0.00 0.00 40.66 41.29 1nre h LEU 45 CO -0.19 -0.17 0.23 -0.74 -0.34 0.00 0.00 178.44 177.23 1nre h HIS 46 N -0.19 0.39 -0.20 1.25 2.76 0.22 0.51 115.15 119.89 1nre h HIS 46 Ca 0.05 0.03 0.03 0.00 -2.20 0.00 0.00 60.37 58.29 1nre h HIS 46 Cb 0.26 -0.08 -0.03 0.00 1.55 0.00 0.00 27.41 29.11 1nre h HIS 46 CO -0.19 0.08 0.01 0.00 -1.30 0.00 0.00 177.93 176.53 1nre h ALA 47 N 1.45 0.19 -0.48 5.26 0.00 -0.50 0.61 119.26 125.79 1nre h ALA 47 Ca 0.33 0.05 -0.07 0.00 0.00 0.00 0.00 54.91 55.22 1nre h ALA 47 Cb 0.44 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1nre h ALA 47 CO -0.34 -0.42 0.02 -0.44 0.00 0.00 0.00 179.25 178.08 1nre h ASP 48 N 0.09 0.75 0.13 0.00 5.19 0.09 0.14 116.42 122.80 1nre h ASP 48 Ca 0.09 -0.17 -0.14 0.00 -0.62 0.00 0.00 57.03 56.20 1nre h ASP 48 Cb 0.11 -0.20 -0.01 0.00 0.18 0.00 0.00 39.33 39.41 1nre h ASP 48 CO -0.15 0.80 -0.48 -0.07 -3.12 0.00 0.00 179.24 176.23 1nre h LEU 49 N 0.74 0.44 0.04 1.55 3.38 0.68 0.36 115.31 122.50 1nre h LEU 49 Ca 0.15 -0.22 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 1nre h LEU 49 Cb 0.42 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1nre h LEU 49 CO 0.02 0.86 -0.02 0.11 0.09 0.00 0.00 178.44 179.50 1nre h LYS 50 N 0.33 -0.05 -0.46 1.13 1.79 0.81 0.66 116.57 120.78 1nre h LYS 50 Ca 0.02 0.00 0.03 0.00 -2.18 0.00 0.00 60.65 58.52 1nre h LYS 50 Cb 0.97 0.01 -0.04 0.00 -1.58 0.00 0.00 32.23 31.59 1nre h LYS 50 CO 0.08 0.39 0.25 0.82 -1.08 0.00 0.00 179.45 179.91 1nre h ILE 51 N -0.50 1.00 -0.68 1.86 1.08 -0.66 0.18 117.51 119.79 1nre h ILE 51 Ca -0.01 -0.17 -0.03 0.00 -0.39 0.00 0.00 64.86 64.27 1nre h ILE 51 Cb 0.46 0.46 -0.03 0.00 -3.07 0.00 0.00 36.82 34.64 1nre h ILE 51 CO 0.01 0.09 0.30 -0.61 -0.69 0.00 0.00 178.15 177.25 1nre h GLN 52 N 0.49 0.98 0.72 2.37 5.75 -0.17 0.11 115.11 125.36 1nre h GLN 52 Ca 0.19 -0.14 -0.04 0.00 -0.15 0.00 0.00 58.65 58.51 1nre h GLN 52 Cb 0.07 -0.18 0.01 0.00 1.07 0.00 0.00 27.48 28.45 1nre h GLN 52 CO -0.12 0.77 -0.35 1.49 -2.65 0.00 0.00 178.83 177.98 1nre h GLU 53 N 0.97 -0.93 -0.33 1.69 4.81 0.18 0.45 114.58 121.41 1nre h GLU 53 Ca 0.23 0.06 0.05 0.00 -0.13 0.00 0.00 59.36 59.58 1nre h GLU 53 Cb 0.14 0.21 -0.05 0.00 0.63 0.00 0.00 28.75 29.68 1nre h GLU 53 CO -0.03 -0.60 0.03 -0.09 -0.73 0.00 0.00 179.01 177.60 1nre h ARG 54 N -1.12 0.13 -0.96 1.92 2.43 -0.56 0.97 114.38 117.20 1nre h ARG 54 Ca -0.10 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.06 1nre h ARG 54 Cb 0.77 -0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 30.24 1nre h ARG 54 CO 0.16 0.09 0.59 -0.44 -1.51 0.00 0.00 179.97 178.86 1nre h ASP 55 N 0.13 1.14 -0.53 -3.80 5.19 -0.71 0.17 116.42 118.01 1nre h ASP 55 Ca 0.16 -0.06 -0.10 0.00 -0.62 0.00 0.00 57.03 56.41 1nre h ASP 55 Cb 0.20 -0.29 -0.02 0.00 0.18 0.00 0.00 39.33 39.41 1nre h ASP 55 CO -0.24 0.86 -0.07 -0.33 -3.12 0.00 0.00 179.24 176.34 1nre h GLU 56 N 1.31 0.98 -0.00 3.56 5.08 0.11 0.72 114.58 126.35 1nre h GLU 56 Ca 0.35 -0.35 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1nre h GLU 56 Cb -0.08 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.10 1nre h GLU 56 CO -0.07 1.02 -0.00 -0.07 -1.00 0.00 0.00 179.01 178.89 1nre h LEU 57 N 0.85 0.01 -0.41 1.33 3.38 -0.48 0.49 115.31 120.49 1nre h LEU 57 Ca 0.14 -0.58 0.05 0.00 0.09 0.00 0.00 57.88 57.58 1nre h LEU 57 Cb 0.63 -0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.33 1nre h LEU 57 CO 0.04 0.59 0.13 0.00 0.09 0.00 0.00 178.44 179.29 1nre h ALA 58 N 0.42 0.47 -0.57 1.53 0.00 -0.63 -0.73 119.26 119.75 1nre h ALA 58 Ca 0.00 0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.86 1nre h ALA 58 Cb 0.59 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 1nre h ALA 58 CO 0.00 -0.26 -0.07 2.35 0.00 0.00 0.00 179.25 181.27 1nre h TRP 59 N 0.29 1.14 -0.95 0.00 7.01 0.49 -2.01 115.95 121.92 1nre h TRP 59 Ca 0.19 -0.22 0.13 0.00 2.11 0.00 0.00 58.89 61.10 1nre h TRP 59 Cb 0.19 -0.29 -0.08 0.00 -2.10 0.00 0.00 29.16 26.88 1nre h TRP 59 CO -0.16 1.04 0.60 0.87 -2.79 0.00 0.00 178.44 178.00 1nre h LYS 60 N 0.93 0.84 -0.41 2.65 1.57 0.11 0.85 116.57 123.10 1nre h LYS 60 Ca 0.15 -0.05 0.02 0.00 -1.87 0.00 0.00 60.65 58.90 1nre h LYS 60 Cb 0.63 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 32.72 1nre h LYS 60 CO 0.04 0.56 0.24 0.87 -0.57 0.00 0.00 179.45 180.59 1nre h LYS 61 N 0.86 0.48 0.29 3.15 1.79 -0.49 0.47 116.57 123.12 1nre h LYS 61 Ca 0.47 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.92 1nre h LYS 61 Cb 0.58 -0.11 -0.03 0.00 -1.58 0.00 0.00 32.23 31.09 1nre h LYS 61 CO -0.24 0.31 -0.34 -0.07 -1.08 0.00 0.00 179.45 178.03 1nre h LEU 62 N 0.49 -0.95 -0.97 2.94 4.07 0.11 0.37 115.31 121.37 1nre h LEU 62 Ca 0.16 0.09 0.03 0.00 0.08 0.00 0.00 57.88 58.24 1nre h LEU 62 Cb 0.01 0.33 -0.05 0.00 1.08 0.00 0.00 40.66 42.03 1nre h LEU 62 CO -0.07 -0.47 0.64 0.50 -1.08 0.00 0.00 178.44 177.95 1nre h LYS 63 N -0.68 1.22 -0.21 1.13 3.11 0.25 0.51 116.57 121.90 1nre h LYS 63 Ca -0.01 -0.07 -0.16 0.00 -2.81 0.00 0.00 60.65 57.59 1nre h LYS 63 Cb 0.64 -0.28 -0.01 0.00 -1.00 0.00 0.00 32.23 31.58 1nre h LYS 63 CO -0.10 0.81 -0.54 -0.07 -2.81 0.00 0.00 179.45 176.74 1nre h LEU 64 N 1.26 0.70 -0.39 5.20 3.38 0.28 -3.10 115.31 122.63 1nre h LEU 64 Ca 0.37 -0.37 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 1nre h LEU 64 Cb -0.06 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 1nre h LEU 64 CO -0.10 1.10 -0.45 0.44 0.09 0.00 0.00 178.44 179.51 1nre h ASP 65 N 0.49 0.00 0.00 -0.43 3.32 0.23 -3.47 116.42 116.55 1nre h ASP 65 Ca 0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.06 1nre h ASP 65 Cb 1.09 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.64 1nre h ASP 65 CO 0.11 0.45 0.00 0.61 -1.72 0.00 0.00 179.24 178.68 1nre n GLY 66 N 0.83 1.10 0.13 2.75 0.00 0.41 -5.04 105.19 105.36 1nre n GLY 66 Ca 0.01 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.86 1nre n GLY 66 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1nre n LEU 67 N 0.00 2.50 -3.17 0.99 4.77 0.15 -4.55 117.00 117.69 1nre n LEU 67 Ca 0.00 -0.12 -0.39 0.00 -0.03 0.00 0.00 56.01 55.47 1nre n LEU 67 Cb 0.00 -0.69 0.03 0.00 -2.33 0.00 0.00 43.42 40.43 1nre n LEU 67 CO 0.00 0.87 1.38 -0.67 -1.33 0.00 0.00 177.39 177.64 1nre n ASP 68 N -3.18 7.21 0.00 -1.43 2.03 -1.25 -4.68 116.55 115.25 1nre n ASP 68 Ca -0.44 -3.77 0.10 0.00 0.52 0.00 0.00 54.79 51.20 1nre n ASP 68 Cb 1.02 -1.06 0.53 0.00 -0.72 0.00 0.00 41.12 40.90 1nre n ASP 68 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1nre n GLU 69 N -0.34 0.41 0.00 -0.67 -0.58 -1.26 -3.06 120.64 115.14 1nre n GLU 69 Ca 0.50 0.06 0.00 0.00 -0.42 0.00 0.00 57.16 57.30 1nre n GLU 69 Cb 0.27 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.64 1nre n GLU 69 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1nre n ASP 70 N -1.18 0.39 -0.27 1.62 8.00 -1.26 -5.02 116.55 118.83 1nre n ASP 70 Ca 0.11 -0.70 0.00 0.00 0.71 0.00 0.00 54.79 54.92 1nre n ASP 70 Cb 0.12 0.60 0.00 0.00 -0.02 0.00 0.00 41.12 41.82 1nre n ASP 70 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1nre n GLY 71 N 0.60 0.83 0.13 0.44 0.00 -1.17 -5.00 105.19 101.02 1nre n GLY 71 Ca 0.00 -0.65 -0.27 0.00 0.00 0.00 0.00 46.02 45.10 1nre n GLY 71 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1nre n GLU 72 N -0.64 0.60 -0.12 1.61 2.13 -1.26 -3.28 120.64 119.68 1nre n GLU 72 Ca 0.00 0.29 -0.13 0.00 0.66 0.00 0.00 57.16 57.98 1nre n GLU 72 Cb 0.43 -1.54 -0.02 0.00 0.27 0.00 0.00 31.44 30.57 1nre n GLU 72 CO 0.00 0.00 0.00 0.87 -0.41 0.00 0.00 177.13 177.59 1nre h LYS 73 N -0.81 0.94 0.00 5.31 1.79 -1.91 -2.57 116.57 119.31 1nre h LYS 73 Ca -0.62 -0.50 -0.06 0.00 -2.18 0.00 0.00 60.65 57.28 1nre h LYS 73 Cb 1.63 0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 32.29 1nre h LYS 73 CO -0.33 1.16 -0.28 1.49 -1.08 0.00 0.00 179.45 180.41 1nre h GLU 74 N 0.76 0.00 -0.93 3.15 4.81 -1.93 -2.65 114.58 117.80 1nre h GLU 74 Ca 0.06 0.00 0.13 0.00 -0.13 0.00 0.00 59.36 59.42 1nre h GLU 74 Cb 1.00 0.00 -0.09 0.00 0.63 0.00 0.00 28.75 30.29 1nre h GLU 74 CO 0.10 0.28 0.55 0.00 -0.73 0.00 0.00 179.01 179.21 1nre h ALA 75 N 1.72 1.42 -0.61 2.92 0.00 -1.44 0.57 119.26 123.84 1nre h ALA 75 Ca -0.00 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 1nre h ALA 75 Cb 0.69 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 1nre h ALA 75 CO 0.04 0.08 0.24 -0.09 0.00 0.00 0.00 179.25 179.51 1nre h ARG 76 N 0.82 0.89 0.02 0.00 2.43 -1.49 0.37 114.38 117.42 1nre h ARG 76 Ca 0.48 -0.14 -0.00 0.00 -0.81 0.00 0.00 59.98 59.51 1nre h ARG 76 Cb 0.58 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.97 1nre h ARG 76 CO -0.31 0.73 -0.01 -0.07 -1.51 0.00 0.00 179.97 178.80 1nre h LEU 77 N 0.87 -0.02 -0.77 3.80 3.38 -0.33 0.48 115.31 122.72 1nre h LEU 77 Ca 0.21 -0.50 0.04 0.00 0.09 0.00 0.00 57.88 57.72 1nre h LEU 77 Cb 0.18 0.01 -0.05 0.00 0.09 0.00 0.00 40.66 40.88 1nre h LEU 77 CO -0.02 0.50 0.48 0.40 0.09 0.00 0.00 178.44 179.89 1nre h ILE 78 N -0.55 1.07 -0.06 1.22 2.04 0.11 0.40 117.51 121.73 1nre h ILE 78 Ca -0.00 -0.31 -0.03 0.00 1.00 0.00 0.00 64.86 65.52 1nre h ILE 78 Cb 0.52 0.08 -0.00 0.00 -0.74 0.00 0.00 36.82 36.68 1nre h ILE 78 CO 0.00 0.17 -0.06 -0.09 0.00 0.00 0.00 178.15 178.16 1nre h ARG 79 N 0.91 0.16 -0.85 2.37 2.43 -0.23 -0.26 114.38 118.91 1nre h ARG 79 Ca 0.32 -0.08 0.05 0.00 -0.81 0.00 0.00 59.98 59.46 1nre h ARG 79 Cb 0.09 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 29.58 1nre h ARG 79 CO -0.14 0.60 0.53 -0.91 -1.51 0.00 0.00 179.97 178.54 1nre h ASN 80 N -0.28 0.85 0.20 -3.80 4.21 0.37 0.48 115.58 117.62 1nre h ASN 80 Ca 0.01 0.01 -0.01 0.00 1.21 0.00 0.00 56.30 57.52 1nre h ASN 80 Cb 0.57 -0.17 0.00 0.00 -1.12 0.00 0.00 38.32 37.60 1nre h ASN 80 CO 0.02 0.56 -0.10 0.25 -1.29 0.00 0.00 177.43 176.87 1nre h LEU 81 N 0.99 -0.23 -1.17 1.61 7.12 -0.16 0.12 115.31 123.59 1nre h LEU 81 Ca 0.36 -0.11 0.16 0.00 0.13 0.00 0.00 57.88 58.43 1nre h LEU 81 Cb 0.11 0.06 -0.09 0.00 -0.53 0.00 0.00 40.66 40.22 1nre h LEU 81 CO -0.15 -0.03 0.61 0.78 -0.13 0.00 0.00 178.44 179.51 1nre h ASN 82 N -0.42 0.72 -0.28 1.25 2.35 -0.31 0.63 115.58 119.53 1nre h ASN 82 Ca -0.03 0.06 -0.02 0.00 -0.55 0.00 0.00 56.30 55.76 1nre h ASN 82 Cb 0.32 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.60 1nre h ASN 82 CO 0.05 0.32 0.10 0.58 -1.65 0.00 0.00 177.43 176.83 1nre h VAL 83 N 0.74 1.19 0.49 2.81 2.07 0.69 0.57 116.25 124.81 1nre h VAL 83 Ca 0.51 -0.59 -0.02 0.00 0.82 0.00 0.00 66.70 67.42 1nre h VAL 83 Cb 0.80 1.05 0.00 0.00 -1.52 0.00 0.00 31.29 31.63 1nre h VAL 83 CO -0.27 0.20 -0.24 0.40 0.02 0.00 0.00 177.57 177.68 1nre h ILE 84 N 0.29 0.48 -0.39 4.57 2.04 0.15 0.18 117.51 124.84 1nre h ILE 84 Ca 0.09 -0.25 0.11 0.00 1.00 0.00 0.00 64.86 65.81 1nre h ILE 84 Cb 0.21 0.59 -0.02 0.00 -0.74 0.00 0.00 36.82 36.87 1nre h ILE 84 CO -0.01 0.04 0.32 -0.07 0.00 0.00 0.00 178.15 178.44 1nre h LEU 85 N -0.82 0.00 -0.06 1.44 3.38 0.24 0.32 115.31 119.82 1nre h LEU 85 Ca -0.07 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.73 1nre h LEU 85 Cb 0.57 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.30 1nre h LEU 85 CO 0.11 0.00 -0.84 0.00 0.09 0.00 0.00 178.44 177.80 1nre h ALA 86 N 1.72 0.48 0.00 1.53 0.00 0.92 1.23 119.26 125.15 1nre h ALA 86 Ca 0.18 -0.76 -0.23 0.00 0.00 0.00 0.00 54.91 54.11 1nre h ALA 86 Cb 0.83 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 1nre h ALA 86 CO -0.00 1.04 -1.12 -0.22 0.00 0.00 0.00 179.25 178.95 1nre h LYS 87 N 0.00 0.01 0.00 0.00 3.64 0.25 -3.37 116.57 117.10 1nre h LYS 87 Ca -0.01 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1nre h LYS 87 Cb 1.62 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.44 1nre h LYS 87 CO 0.11 0.92 -0.85 0.66 -2.27 0.00 0.00 179.45 178.02 1nre n TYR 88 N -3.31 0.00 -3.30 1.91 4.01 0.31 -5.02 117.16 111.76 1nre n TYR 88 Ca -0.03 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.54 1nre n TYR 88 Cb 0.96 -0.07 0.07 0.00 -0.31 0.00 0.00 39.34 39.99 1nre n TYR 88 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1nre n GLY 89 N 1.81 -0.25 0.08 2.72 0.00 0.42 -4.95 105.19 105.03 1nre n GLY 89 Ca -0.00 0.05 -0.08 0.00 0.00 0.00 0.00 46.02 45.98 1nre n GLY 89 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1nre h LEU 90 N -1.94 -0.05 -4.69 0.99 3.38 -1.83 -3.40 115.31 107.77 1nre h LEU 90 Ca -0.47 -0.47 -0.54 0.00 0.09 0.00 0.00 57.88 56.49 1nre h LEU 90 Cb 1.29 0.01 -0.42 0.00 0.09 0.00 0.00 40.66 41.64 1nre h LEU 90 CO 0.44 0.65 -0.84 0.47 0.09 0.00 0.00 178.44 179.25 1nre n ASP 91 N -4.76 3.92 0.00 -0.43 9.92 -1.26 -5.01 116.55 118.94 1nre n ASP 91 Ca -0.06 -3.49 0.00 0.00 -0.53 0.00 0.00 54.79 50.72 1nre n ASP 91 Cb 0.25 -0.48 0.00 0.00 -0.64 0.00 0.00 41.12 40.25 1nre n ASP 91 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1nre n GLY 92 N -0.36 3.16 3.80 0.44 0.00 -1.26 -5.07 105.19 105.89 1nre n GLY 92 Ca 0.32 -0.10 -0.36 0.00 0.00 0.00 0.00 46.02 45.87 1nre n GLY 92 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1nre s LYS 93 N 3.00 4.44 -0.24 1.61 2.20 -1.26 -4.98 119.74 124.50 1nre s LYS 93 Ca 0.00 1.16 0.16 0.00 -0.36 0.00 0.00 55.97 56.93 1nre s LYS 93 Cb 0.00 -2.73 0.39 0.00 -1.51 0.00 0.00 37.83 33.98 1nre s LYS 93 CO 0.00 0.27 1.30 0.36 -0.36 0.00 0.00 175.35 176.92 1nre n LYS 94 N 0.42 1.19 0.00 4.03 -0.00 -1.26 -4.72 118.16 117.82 1nre n LYS 94 Ca 0.02 -2.01 0.00 0.00 -0.00 0.00 0.00 58.31 56.31 1nre n LYS 94 Cb 0.51 -0.27 0.00 0.00 -0.00 0.00 0.00 35.03 35.27 1nre n LYS 94 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1nre n ASP 95 N -0.85 0.00 0.04 -5.58 2.03 -1.26 -5.07 116.55 105.85 1nre n ASP 95 Ca -0.09 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.22 1nre n ASP 95 Cb 0.86 -0.04 0.00 0.00 -0.72 0.00 0.00 41.12 41.21 1nre n ASP 95 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1nre n ALA 96 N -1.77 3.00 -1.72 -1.67 0.00 -1.26 -5.31 120.51 111.78 1nre n ALA 96 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1nre n ALA 96 Cb 0.00 0.09 0.00 0.00 0.00 0.00 0.00 19.45 19.54 1nre n ALA 96 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37