#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qie s LYS 2 N 0.00 4.19 -0.17 2.12 2.20 -1.15 -1.05 119.74 125.88 2qie s LYS 2 Ca 0.00 0.54 -0.06 0.00 -0.36 0.00 0.00 55.97 56.09 2qie s LYS 2 Cb 0.00 -3.58 -0.04 0.00 -1.51 0.00 0.00 37.83 32.70 2qie s LYS 2 CO 0.00 -0.23 0.03 0.08 -0.36 0.00 0.00 175.35 174.86 2qie s VAL 3 N 1.90 4.48 -0.17 4.02 1.01 0.21 -0.99 120.40 130.86 2qie s VAL 3 Ca 0.27 -0.15 -0.02 0.00 0.00 0.00 0.00 61.98 62.08 2qie s VAL 3 Cb -0.16 -3.00 -0.01 0.00 0.00 0.00 0.00 36.38 33.22 2qie s VAL 3 CO 0.10 0.48 -0.10 -0.76 0.00 0.00 0.00 175.10 174.82 2qie s LEU 4 N 0.32 2.74 -0.02 3.92 1.43 0.83 -1.91 118.68 125.99 2qie s LEU 4 Ca 0.01 -0.38 0.02 0.00 -1.03 0.00 0.00 54.13 52.74 2qie s LEU 4 Cb -0.13 -1.65 -0.03 0.00 0.03 0.00 0.00 46.19 44.40 2qie s LEU 4 CO 0.01 0.07 -0.04 -0.31 0.23 0.00 0.00 176.35 176.31 2qie s TYR 5 N 0.92 2.97 0.13 0.29 1.51 -0.48 -1.05 117.35 121.65 2qie s TYR 5 Ca -0.02 0.03 0.03 0.00 -1.01 0.00 0.00 57.07 56.09 2qie s TYR 5 Cb -0.15 -1.66 -0.04 0.00 -0.11 0.00 0.00 41.96 40.00 2qie s TYR 5 CO -0.00 0.39 -0.07 -0.06 -1.11 0.00 0.00 175.55 174.70 2qie s PHE 6 N -0.97 1.09 0.00 2.71 0.40 -1.26 -4.60 117.98 115.35 2qie s PHE 6 Ca 0.16 -0.86 0.00 0.00 -0.60 0.00 0.00 56.93 55.63 2qie s PHE 6 Cb -0.11 -0.59 0.00 0.00 0.51 0.00 0.00 43.02 42.83 2qie s PHE 6 CO 0.06 -0.06 0.00 0.00 0.70 0.00 0.00 175.22 175.92 2qie n ALA 7 N -0.13 0.00 -0.04 5.36 0.00 -1.26 -2.48 120.51 121.95 2qie n ALA 7 Ca -0.11 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.33 2qie n ALA 7 Cb 0.61 0.00 0.28 0.00 0.00 0.00 0.00 19.45 20.34 2qie n ALA 7 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2qie h GLU 8 N 0.00 0.62 -0.41 0.00 4.81 -1.99 -2.00 114.58 115.61 2qie h GLU 8 Ca 0.00 -0.12 -0.09 0.00 -0.13 0.00 0.00 59.36 59.03 2qie h GLU 8 Cb 0.00 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.27 2qie h GLU 8 CO 0.00 0.59 -0.08 0.82 -0.73 0.00 0.00 179.01 179.61 2qie h ILE 9 N 0.61 1.27 -0.82 2.32 2.04 -1.93 -0.86 117.51 120.14 2qie h ILE 9 Ca 0.14 -1.16 0.12 0.00 1.00 0.00 0.00 64.86 64.96 2qie h ILE 9 Cb 0.26 1.18 -0.08 0.00 -0.74 0.00 0.00 36.82 37.44 2qie h ILE 9 CO 0.00 0.39 0.44 0.50 0.00 0.00 0.00 178.15 179.48 2qie h LYS 10 N 0.60 0.67 -0.25 2.37 3.64 -1.06 -1.26 116.57 121.28 2qie h LYS 10 Ca 0.11 -0.04 -0.18 0.00 -1.27 0.00 0.00 60.65 59.27 2qie h LYS 10 Cb 0.59 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.26 2qie h LYS 10 CO 0.04 0.45 -0.55 -0.44 -2.27 0.00 0.00 179.45 176.68 2qie h ASP 11 N 0.69 0.92 -0.38 4.20 3.32 -1.05 -1.16 116.42 122.97 2qie h ASP 11 Ca 0.42 -0.55 -0.02 0.00 0.02 0.00 0.00 57.03 56.90 2qie h ASP 11 Cb 0.49 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.76 2qie h ASP 11 CO -0.30 1.30 0.14 0.40 -1.72 0.00 0.00 179.24 179.06 2qie h ILE 12 N 0.58 1.20 -0.00 0.35 2.04 -0.87 -3.12 117.51 117.69 2qie h ILE 12 Ca 0.00 -0.63 0.00 0.00 1.00 0.00 0.00 64.86 65.24 2qie h ILE 12 Cb 1.16 0.91 0.00 0.00 -0.74 0.00 0.00 36.82 38.15 2qie h ILE 12 CO 0.12 0.22 -0.08 0.18 0.00 0.00 0.00 178.15 178.59 2qie n LEU 13 N -4.65 0.35 -0.89 1.44 4.77 -0.50 -4.93 117.00 112.59 2qie n LEU 13 Ca -0.01 0.06 -0.12 0.00 -0.03 0.00 0.00 56.01 55.92 2qie n LEU 13 Cb 0.15 -0.19 -0.05 0.00 -2.33 0.00 0.00 43.42 41.00 2qie n LEU 13 CO 0.37 0.07 -0.11 0.00 -1.33 0.00 0.00 177.39 176.38 2qie n GLN 14 N -1.02 -1.30 -3.55 3.23 1.13 -0.46 -4.94 117.38 110.47 2qie n GLN 14 Ca 0.15 0.88 -0.14 0.00 -1.94 0.00 0.00 57.00 55.94 2qie n GLN 14 Cb 0.26 -5.09 -0.05 0.00 0.11 0.00 0.00 30.24 25.47 2qie n GLN 14 CO 0.00 0.00 0.00 -1.59 -1.44 0.00 0.00 177.06 174.03 2qie s LYS 15 N -2.86 1.05 -0.08 -1.09 -2.85 -1.08 -5.04 119.74 107.78 2qie s LYS 15 Ca 0.00 -0.16 0.16 0.00 -1.00 0.00 0.00 55.97 54.97 2qie s LYS 15 Cb 0.00 0.48 -0.23 0.00 -2.06 0.00 0.00 37.83 36.02 2qie s LYS 15 CO 0.00 -0.38 0.23 0.00 0.10 0.00 0.00 175.35 175.30 2qie n ALA 16 N 0.46 2.18 -2.70 0.59 0.00 -1.26 -4.57 120.51 115.19 2qie n ALA 16 Ca -0.18 -0.69 -0.09 0.00 0.00 0.00 0.00 53.44 52.47 2qie n ALA 16 Cb 0.60 -0.36 -0.07 0.00 0.00 0.00 0.00 19.45 19.62 2qie n ALA 16 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 2qie s GLN 17 N -2.83 1.00 0.20 0.00 -2.07 -1.26 -1.38 119.66 113.32 2qie s GLN 17 Ca -0.07 -0.98 -0.14 0.00 -1.82 0.00 0.00 55.36 52.35 2qie s GLN 17 Cb 0.08 0.38 0.01 0.00 -1.09 0.00 0.00 33.01 32.39 2qie s GLN 17 CO 0.68 -0.35 0.45 -1.83 -1.32 0.00 0.00 175.29 172.92 2qie s GLU 18 N -3.88 1.37 -0.13 9.60 -1.05 -0.80 -5.00 118.70 118.80 2qie s GLU 18 Ca 0.08 -1.07 -0.04 0.00 -0.15 0.00 0.00 54.97 53.80 2qie s GLU 18 Cb 0.04 0.47 -0.03 0.00 -0.44 0.00 0.00 34.13 34.16 2qie s GLU 18 CO -0.08 -0.56 -0.00 0.34 0.95 0.00 0.00 175.26 175.91 2qie s ASP 19 N -2.94 5.15 -0.09 0.83 -1.08 -1.26 -0.61 116.67 116.66 2qie s ASP 19 Ca 0.15 0.03 0.01 0.00 -0.52 0.00 0.00 52.55 52.22 2qie s ASP 19 Cb 0.00 -1.69 0.02 0.00 -1.46 0.00 0.00 42.92 39.80 2qie s ASP 19 CO 0.02 0.26 -0.09 -0.63 0.52 0.00 0.00 175.17 175.24 2qie s ILE 20 N -0.17 1.04 -0.15 4.11 1.01 -0.22 -4.97 121.20 121.85 2qie s ILE 20 Ca 0.05 -0.35 -0.29 0.00 0.00 0.00 0.00 60.65 60.05 2qie s ILE 20 Cb -0.13 -1.01 -0.01 0.00 0.01 0.00 0.00 42.46 41.32 2qie s ILE 20 CO 0.02 0.35 1.09 -0.69 0.00 0.00 0.00 174.94 175.72 2qie s VAL 21 N 1.27 4.58 -0.18 2.92 1.01 -1.26 -1.97 120.40 126.76 2qie s VAL 21 Ca -0.03 1.88 -0.06 0.00 0.00 0.00 0.00 61.98 63.77 2qie s VAL 21 Cb -0.14 -4.21 -0.03 0.00 0.00 0.00 0.00 36.38 32.00 2qie s VAL 21 CO -0.03 -0.08 0.02 -0.76 0.00 0.00 0.00 175.10 174.25 2qie s LEU 22 N 2.68 3.51 0.05 3.92 1.43 -1.26 -4.98 118.68 124.02 2qie s LEU 22 Ca 0.49 -0.06 -0.23 0.00 -1.03 0.00 0.00 54.13 53.29 2qie s LEU 22 Cb -0.19 -1.88 -0.16 0.00 0.03 0.00 0.00 46.19 43.99 2qie s LEU 22 CO 0.14 0.13 1.55 -0.33 0.23 0.00 0.00 176.35 178.07 2qie h GLU 23 N 7.00 0.06 -4.85 1.70 4.39 -1.98 -3.45 114.58 117.44 2qie h GLU 23 Ca -0.35 -0.01 -0.40 0.00 0.34 0.00 0.00 59.36 58.94 2qie h GLU 23 Cb 1.18 -0.01 -0.14 0.00 -0.10 0.00 0.00 28.75 29.68 2qie h GLU 23 CO 0.65 0.25 -0.56 1.14 -1.16 0.00 0.00 179.01 179.33 2qie s GLN 24 N -5.36 1.56 0.33 2.33 -2.07 -1.26 -4.99 119.66 110.19 2qie s GLN 24 Ca -0.14 -1.88 -0.29 0.00 -1.82 0.00 0.00 55.36 51.23 2qie s GLN 24 Cb 0.05 -0.01 -0.11 0.00 -1.09 0.00 0.00 33.01 31.85 2qie s GLN 24 CO 0.68 -0.46 1.49 0.00 -1.32 0.00 0.00 175.29 175.68 2qie s ALA 25 N -3.66 3.63 0.10 2.60 0.00 -1.26 -4.71 121.76 118.45 2qie s ALA 25 Ca 0.37 1.50 0.10 0.00 0.00 0.00 0.00 51.96 53.93 2qie s ALA 25 Cb 0.05 -3.60 -0.04 0.00 0.00 0.00 0.00 23.12 19.53 2qie s ALA 25 CO 0.18 -0.94 -0.24 -0.51 0.00 0.00 0.00 175.76 174.24 2qie s LEU 26 N -1.33 2.40 0.56 0.00 1.43 -0.57 -4.91 118.68 116.26 2qie s LEU 26 Ca 0.56 -0.65 -0.19 0.00 -1.03 0.00 0.00 54.13 52.82 2qie s LEU 26 Cb -0.45 -1.33 -0.05 0.00 0.03 0.00 0.00 46.19 44.39 2qie s LEU 26 CO 0.54 0.20 1.16 0.42 0.23 0.00 0.00 176.35 178.91 2qie s THR 27 N -1.02 2.94 0.31 5.49 -4.23 -1.26 0.81 115.64 118.68 2qie s THR 27 Ca 0.14 0.59 0.04 0.00 -1.18 0.00 0.00 61.69 61.29 2qie s THR 27 Cb -0.10 -3.24 0.36 0.00 1.34 0.00 0.00 72.50 70.86 2qie s THR 27 CO 0.06 -0.12 1.60 0.58 -0.54 0.00 0.00 174.62 176.20 2qie h VAL 28 N 1.11 0.14 -0.19 2.29 2.07 -0.51 -1.13 116.25 120.04 2qie h VAL 28 Ca -0.50 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 66.99 2qie h VAL 28 Cb 1.28 0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 31.08 2qie h VAL 28 CO 0.56 0.02 0.12 -0.61 0.02 0.00 0.00 177.57 177.68 2qie h GLN 29 N 0.09 0.24 -0.65 1.57 5.75 -1.38 -1.25 115.11 119.47 2qie h GLN 29 Ca 0.61 -0.01 0.02 0.00 -0.15 0.00 0.00 58.65 59.12 2qie h GLN 29 Cb 1.30 -0.05 -0.04 0.00 1.07 0.00 0.00 27.48 29.76 2qie h GLN 29 CO -0.79 0.16 0.43 1.96 -2.65 0.00 0.00 178.83 177.94 2qie h GLN 30 N 0.24 0.79 -0.21 1.69 4.20 -1.62 -0.92 115.11 119.29 2qie h GLN 30 Ca 0.07 -0.05 -0.07 0.00 0.06 0.00 0.00 58.65 58.66 2qie h GLN 30 Cb -0.02 -0.18 -0.00 0.00 0.30 0.00 0.00 27.48 27.58 2qie h GLN 30 CO -0.02 0.52 -0.16 0.35 -0.67 0.00 0.00 178.83 178.85 2qie h PHE 31 N 0.82 0.56 -0.46 2.96 3.57 -0.61 -0.08 116.94 123.70 2qie h PHE 31 Ca 0.25 -0.16 0.06 0.00 3.53 0.00 0.00 57.97 61.66 2qie h PHE 31 Cb 0.01 -0.12 -0.06 0.00 2.79 0.00 0.00 35.95 38.57 2qie h PHE 31 CO -0.00 0.80 0.14 0.93 -2.23 0.00 0.00 178.31 177.95 2qie h GLU 32 N 0.16 0.28 -0.59 1.11 5.08 -1.02 0.83 114.58 120.43 2qie h GLU 32 Ca 0.04 -0.02 0.11 0.00 -1.00 0.00 0.00 59.36 58.49 2qie h GLU 32 Cb 0.69 -0.06 -0.08 0.00 0.50 0.00 0.00 28.75 29.79 2qie h GLU 32 CO 0.04 0.19 0.12 -0.44 -1.00 0.00 0.00 179.01 177.92 2qie h ASP 33 N 0.29 -0.01 -0.40 1.42 3.32 -0.95 -0.04 116.42 120.05 2qie h ASP 33 Ca 0.22 0.11 -0.03 0.00 0.02 0.00 0.00 57.03 57.35 2qie h ASP 33 Cb 0.24 0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.93 2qie h ASP 33 CO -0.25 0.00 0.15 0.25 -1.72 0.00 0.00 179.24 177.68 2qie h LEU 34 N 0.25 0.56 -0.49 1.55 5.85 -0.18 -2.52 115.31 120.33 2qie h LEU 34 Ca 0.31 -0.18 0.03 0.00 0.84 0.00 0.00 57.88 58.88 2qie h LEU 34 Cb 0.45 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.30 2qie h LEU 34 CO -0.40 0.59 0.27 0.25 -0.34 0.00 0.00 178.44 178.81 2qie h LEU 35 N 0.50 0.42 -1.09 2.25 5.85 0.01 -0.29 115.31 122.95 2qie h LEU 35 Ca 0.13 0.02 -0.08 0.00 0.84 0.00 0.00 57.88 58.79 2qie h LEU 35 Cb 0.21 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.16 2qie h LEU 35 CO -0.01 0.29 -0.23 -0.26 -0.34 0.00 0.00 178.44 177.89 2qie h PHE 36 N 0.54 0.40 -0.25 1.25 0.05 -0.90 0.42 116.94 118.44 2qie h PHE 36 Ca 0.21 -0.07 -0.16 0.00 3.82 0.00 0.00 57.97 61.77 2qie h PHE 36 Cb 0.07 -0.10 0.00 0.00 2.00 0.00 0.00 35.95 37.92 2qie h PHE 36 CO -0.08 0.57 -0.45 1.49 -0.18 0.00 0.00 178.31 179.66 2qie h GLU 37 N 0.32 0.75 -0.44 1.51 4.81 -1.12 -2.63 114.58 117.79 2qie h GLU 37 Ca 0.05 -0.47 -0.13 0.00 -0.13 0.00 0.00 59.36 58.69 2qie h GLU 37 Cb 0.59 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.01 2qie h GLU 37 CO 0.04 1.10 -0.23 -0.09 -0.73 0.00 0.00 179.01 179.10 2qie h ARG 38 N 0.49 0.89 -2.44 1.92 2.43 -0.81 -3.38 114.38 113.48 2qie h ARG 38 Ca 0.02 -0.37 -0.60 0.00 -0.81 0.00 0.00 59.98 58.21 2qie h ARG 38 Cb 1.05 -0.03 -0.41 0.00 -0.42 0.00 0.00 29.97 30.16 2qie h ARG 38 CO 0.10 1.02 -0.76 0.66 -1.51 0.00 0.00 179.97 179.49 2qie n TYR 39 N -4.11 1.94 -0.25 2.20 0.53 0.15 -4.95 117.16 112.67 2qie n TYR 39 Ca 0.00 -3.94 0.31 0.00 -1.02 0.00 0.00 57.90 53.25 2qie n TYR 39 Cb 0.45 -0.39 0.72 0.00 -1.03 0.00 0.00 39.34 39.08 2qie n TYR 39 CO 0.00 0.00 0.00 -1.35 -1.02 0.00 0.00 176.86 174.49 2qie h PRO 40 N 4.75 0.04 -0.05 -0.72 0.11 -1.66 -2.61 132.00 131.86 2qie h PRO 40 Ca 0.17 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.28 2qie h PRO 40 Cb 0.77 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.88 2qie h PRO 40 CO 0.65 0.03 0.00 0.00 -0.21 0.00 0.00 178.00 178.46 2qie n GLN 41 N -4.26 0.75 -0.19 1.05 0.00 -1.26 -2.95 117.38 110.52 2qie n GLN 41 Ca 0.22 0.00 0.01 0.00 0.00 0.00 0.00 57.00 57.23 2qie n GLN 41 Cb 1.07 -1.02 0.01 0.00 0.00 0.00 0.00 30.24 30.30 2qie n GLN 41 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.06 177.50 2qie n ILE 42 N -0.46 0.32 1.15 -0.39 -5.35 -0.98 -4.87 119.36 108.78 2qie n ILE 42 Ca 0.00 -0.36 0.13 0.00 -0.27 0.00 0.00 62.75 62.25 2qie n ILE 42 Cb 0.01 0.63 0.65 0.00 -1.74 0.00 0.00 39.64 39.19 2qie n ILE 42 CO 0.00 0.00 0.00 -0.46 -1.76 0.00 0.00 176.55 174.33 2qie n ASN 43 N -0.21 0.00 -0.89 7.28 0.23 -1.15 -2.32 115.26 118.19 2qie n ASN 43 Ca 0.02 0.17 0.12 0.00 -0.53 0.00 0.00 54.58 54.36 2qie n ASN 43 Cb 0.56 -0.39 0.21 0.00 -2.08 0.00 0.00 39.78 38.08 2qie n ASN 43 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 2qie n ASN 44 N -1.39 2.75 -4.78 0.53 4.13 -1.26 -4.95 115.26 110.29 2qie n ASN 44 Ca 0.10 -1.90 -0.38 0.00 1.68 0.00 0.00 54.58 54.09 2qie n ASN 44 Cb 0.27 -0.05 -0.06 0.00 -1.54 0.00 0.00 39.78 38.40 2qie n ASN 44 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 2qie s LYS 45 N -1.90 4.14 0.01 3.52 -0.14 -0.98 -5.07 119.74 119.31 2qie s LYS 45 Ca 0.32 0.43 -0.19 0.00 -1.36 0.00 0.00 55.97 55.16 2qie s LYS 45 Cb 0.21 -3.32 -0.06 0.00 -1.68 0.00 0.00 37.83 32.97 2qie s LYS 45 CO 0.31 0.44 0.56 0.15 -0.76 0.00 0.00 175.35 176.04 2qie s LYS 46 N -0.28 4.24 -0.04 1.68 1.02 -1.26 -5.07 119.74 120.03 2qie s LYS 46 Ca 0.24 0.68 -0.27 0.00 0.02 0.00 0.00 55.97 56.64 2qie s LYS 46 Cb -0.16 -3.30 0.06 0.00 -0.52 0.00 0.00 37.83 33.91 2qie s LYS 46 CO 0.12 0.47 0.60 -0.59 -0.92 0.00 0.00 175.35 175.03 2qie s PHE 47 N -0.52 -0.56 0.52 3.18 -0.12 -1.26 -4.20 117.98 115.03 2qie s PHE 47 Ca 0.29 0.94 -0.01 0.00 -0.05 0.00 0.00 56.93 58.10 2qie s PHE 47 Cb -0.18 0.35 0.01 0.00 -0.63 0.00 0.00 43.02 42.57 2qie s PHE 47 CO 0.17 -0.57 0.75 -0.65 -0.05 0.00 0.00 175.22 174.88 2qie s GLN 48 N -1.26 2.84 -0.03 1.99 -0.21 -0.14 -4.91 119.66 117.93 2qie s GLN 48 Ca -0.11 -0.50 0.04 0.00 0.02 0.00 0.00 55.36 54.81 2qie s GLN 48 Cb -0.01 -2.47 -0.03 0.00 1.00 0.00 0.00 33.01 31.50 2qie s GLN 48 CO 0.08 -0.52 -0.13 0.08 -2.12 0.00 0.00 175.29 172.69 2qie s VAL 49 N -2.72 3.19 -0.10 1.09 1.01 -1.26 -0.80 120.40 120.81 2qie s VAL 49 Ca 0.53 -0.75 0.03 0.00 0.00 0.00 0.00 61.98 61.78 2qie s VAL 49 Cb -0.10 -2.29 -0.01 0.00 0.00 0.00 0.00 36.38 33.99 2qie s VAL 49 CO 0.39 0.54 -0.20 0.00 0.00 0.00 0.00 175.10 175.83 2qie s ALA 50 N -0.80 2.32 -0.16 5.51 0.00 0.10 -3.32 121.76 125.41 2qie s ALA 50 Ca 0.13 -0.96 -0.00 0.00 0.00 0.00 0.00 51.96 51.13 2qie s ALA 50 Cb -0.11 -0.92 -0.00 0.00 0.00 0.00 0.00 23.12 22.09 2qie s ALA 50 CO 0.02 0.31 -0.14 0.08 0.00 0.00 0.00 175.76 176.03 2qie s VAL 51 N 0.23 2.76 -1.49 0.00 1.01 0.31 -0.58 120.40 122.63 2qie s VAL 51 Ca -0.13 -0.74 -0.05 0.00 0.00 0.00 0.00 61.98 61.06 2qie s VAL 51 Cb -0.16 -2.17 0.04 0.00 0.00 0.00 0.00 36.38 34.08 2qie s VAL 51 CO 0.07 0.51 0.48 0.59 0.00 0.00 0.00 175.10 176.75 2qie n ASN 52 N 4.07 -1.01 -2.10 3.32 3.02 0.19 -1.56 115.26 121.19 2qie n ASN 52 Ca -0.19 -1.02 -0.18 0.00 -0.03 0.00 0.00 54.58 53.15 2qie n ASN 52 Cb 0.52 -2.89 -0.01 0.00 -0.61 0.00 0.00 39.78 36.79 2qie n ASN 52 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2qie n GLU 53 N -4.42 -1.56 -4.45 3.52 1.02 -1.26 -5.01 120.64 108.48 2qie n GLU 53 Ca -0.21 0.88 -0.20 0.00 -0.02 0.00 0.00 57.16 57.60 2qie n GLU 53 Cb 0.64 -5.40 -0.14 0.00 -0.02 0.00 0.00 31.44 26.52 2qie n GLU 53 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 2qie s GLU 54 N -4.93 0.95 0.49 3.49 0.41 -0.60 -5.11 118.70 113.40 2qie s GLU 54 Ca 0.01 -0.59 -0.20 0.00 -0.41 0.00 0.00 54.97 53.78 2qie s GLU 54 Cb -0.00 -0.93 -0.08 0.00 -1.78 0.00 0.00 34.13 31.33 2qie s GLU 54 CO 0.01 0.24 1.06 -0.06 -0.49 0.00 0.00 175.26 176.03 2qie s PHE 55 N -0.57 2.94 0.03 1.61 2.99 -1.26 -0.53 117.98 123.19 2qie s PHE 55 Ca 0.03 1.57 -0.04 0.00 0.00 0.00 0.00 56.93 58.49 2qie s PHE 55 Cb -0.06 -3.13 -0.02 0.00 0.00 0.00 0.00 43.02 39.81 2qie s PHE 55 CO 0.00 -1.01 0.06 0.14 -0.00 0.00 0.00 175.22 174.41 2qie s VAL 56 N -1.90 0.14 0.80 -0.44 -7.23 -1.21 -4.87 120.40 105.70 2qie s VAL 56 Ca 0.68 -1.14 -0.11 0.00 -1.81 0.00 0.00 61.98 59.59 2qie s VAL 56 Cb -0.19 -0.85 0.07 0.00 0.56 0.00 0.00 36.38 35.98 2qie s VAL 56 CO 0.22 -0.63 1.09 -1.10 -0.31 0.00 0.00 175.10 174.37 2qie s GLN 57 N -2.54 2.01 0.34 4.82 -1.52 -1.26 -4.79 119.66 116.73 2qie s GLN 57 Ca -0.06 0.95 0.27 0.00 -1.95 0.00 0.00 55.36 54.57 2qie s GLN 57 Cb -0.02 -1.89 0.95 0.00 -0.22 0.00 0.00 33.01 31.84 2qie s GLN 57 CO -0.04 -1.75 1.78 0.87 -0.25 0.00 0.00 175.29 175.90 2qie h LYS 58 N -1.20 0.00 -0.69 2.91 1.57 -2.00 -2.72 116.57 114.45 2qie h LYS 58 Ca -0.46 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 2qie h LYS 58 Cb 1.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.56 2qie h LYS 58 CO 0.54 0.00 0.00 -1.13 -0.57 0.00 0.00 179.45 178.29 2qie n SER 59 N -2.57 3.90 -4.84 0.86 3.41 -1.26 -1.07 113.62 112.06 2qie n SER 59 Ca 0.03 -2.03 -0.32 0.00 -0.26 0.00 0.00 58.87 56.28 2qie n SER 59 Cb 0.33 -0.47 -0.05 0.00 -0.26 0.00 0.00 64.21 63.76 2qie n SER 59 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 2qie s ASP 60 N -1.00 6.76 0.10 4.04 1.01 -1.03 -4.85 116.67 121.70 2qie s ASP 60 Ca 0.46 1.46 -0.16 0.00 0.71 0.00 0.00 52.55 55.02 2qie s ASP 60 Cb 0.25 -2.45 -0.07 0.00 1.01 0.00 0.00 42.92 41.66 2qie s ASP 60 CO 0.31 -0.37 0.53 -0.36 0.21 0.00 0.00 175.17 175.49 2qie s PHE 61 N -2.24 3.69 -0.23 4.23 0.40 -1.26 -0.15 117.98 122.42 2qie s PHE 61 Ca 0.57 1.12 -0.08 0.00 -0.60 0.00 0.00 56.93 57.94 2qie s PHE 61 Cb -0.10 -2.40 -0.04 0.00 0.51 0.00 0.00 43.02 41.00 2qie s PHE 61 CO 0.21 0.52 0.10 0.42 0.70 0.00 0.00 175.22 177.17 2qie s ILE 62 N -1.28 4.78 0.54 0.64 1.01 0.24 -4.87 121.20 122.26 2qie s ILE 62 Ca 0.33 -0.02 -0.13 0.00 0.00 0.00 0.00 60.65 60.82 2qie s ILE 62 Cb -0.17 -3.22 -0.06 0.00 0.01 0.00 0.00 42.46 39.03 2qie s ILE 62 CO 0.18 0.37 0.96 -1.10 0.00 0.00 0.00 174.94 175.35 2qie s GLN 63 N 1.13 3.77 0.47 2.79 -1.52 -1.26 -1.51 119.66 123.54 2qie s GLN 63 Ca 0.05 0.77 0.17 0.00 -1.95 0.00 0.00 55.36 54.40 2qie s GLN 63 Cb -0.14 -2.16 1.16 0.00 -0.22 0.00 0.00 33.01 31.65 2qie s GLN 63 CO 0.04 -0.35 2.02 -1.35 -0.25 0.00 0.00 175.29 175.40 2qie h PRO 64 N 0.46 0.23 -0.00 2.91 0.11 -1.87 -2.46 132.00 131.38 2qie h PRO 64 Ca -0.46 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2qie h PRO 64 Cb 1.19 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.25 2qie h PRO 64 CO 0.62 0.15 -0.35 0.09 -0.21 0.00 0.00 178.00 178.30 2qie n ASN 65 N -4.46 0.66 -4.74 -2.05 3.02 -1.26 -1.43 115.26 105.00 2qie n ASN 65 Ca 0.07 -0.47 -0.31 0.00 -0.03 0.00 0.00 54.58 53.84 2qie n ASN 65 Cb 0.36 0.14 0.11 0.00 -0.61 0.00 0.00 39.78 39.78 2qie n ASN 65 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 2qie s ASP 66 N -2.77 4.10 -0.21 6.41 1.01 -0.93 -4.75 116.67 119.53 2qie s ASP 66 Ca 0.18 1.93 -0.09 0.00 0.71 0.00 0.00 52.55 55.28 2qie s ASP 66 Cb 0.18 -2.54 -0.04 0.00 1.01 0.00 0.00 42.92 41.53 2qie s ASP 66 CO 0.61 -2.31 0.10 -0.89 0.21 0.00 0.00 175.17 172.89 2qie s THR 67 N -2.81 5.03 -0.14 -1.27 2.01 -1.26 -2.92 115.64 114.28 2qie s THR 67 Ca 0.63 0.06 0.02 0.00 0.31 0.00 0.00 61.69 62.70 2qie s THR 67 Cb -0.19 -3.30 0.02 0.00 0.01 0.00 0.00 72.50 69.04 2qie s THR 67 CO 0.56 0.41 -0.18 -0.69 -0.69 0.00 0.00 174.62 174.03 2qie s VAL 68 N 0.67 1.83 -0.08 3.82 1.01 -0.16 -0.64 120.40 126.85 2qie s VAL 68 Ca 0.05 -0.82 0.03 0.00 0.00 0.00 0.00 61.98 61.24 2qie s VAL 68 Cb -0.13 -1.65 -0.02 0.00 0.00 0.00 0.00 36.38 34.59 2qie s VAL 68 CO 0.01 0.50 -0.18 0.00 0.00 0.00 0.00 175.10 175.44 2qie s ALA 69 N 1.08 2.45 -0.37 5.51 0.00 0.25 -0.12 121.76 130.55 2qie s ALA 69 Ca -0.02 -0.97 -0.24 0.00 0.00 0.00 0.00 51.96 50.72 2qie s ALA 69 Cb -0.14 -0.94 0.01 0.00 0.00 0.00 0.00 23.12 22.05 2qie s ALA 69 CO -0.06 0.39 0.85 -0.51 0.00 0.00 0.00 175.76 176.43 2qie s LEU 70 N -0.09 4.07 -0.46 0.00 1.43 -0.21 -0.72 118.68 122.69 2qie s LEU 70 Ca -0.04 0.41 -0.12 0.00 -1.03 0.00 0.00 54.13 53.36 2qie s LEU 70 Cb -0.14 -3.13 0.09 0.00 0.03 0.00 0.00 46.19 43.04 2qie s LEU 70 CO 0.04 -0.81 0.35 -0.63 0.23 0.00 0.00 176.35 175.53 2qie s ILE 71 N 3.30 4.66 0.86 -0.59 -1.09 0.02 -4.02 121.20 124.34 2qie s ILE 71 Ca 0.34 -1.40 -0.11 0.00 -2.23 0.00 0.00 60.65 57.25 2qie s ILE 71 Cb -0.12 -3.89 0.11 0.00 -1.58 0.00 0.00 42.46 36.97 2qie s ILE 71 CO 0.18 -0.64 1.10 -2.84 -1.23 0.00 0.00 174.94 171.51 2qie s PRO 72 N 1.50 1.49 -0.17 2.79 0.02 -1.26 -0.97 135.00 138.40 2qie s PRO 72 Ca 0.04 1.15 -0.42 0.00 0.02 0.00 0.00 61.00 61.79 2qie s PRO 72 Cb -0.25 -1.81 -0.19 0.00 0.02 0.00 0.00 34.50 32.26 2qie s PRO 72 CO 0.03 -2.18 1.30 -2.30 -0.33 0.00 0.00 177.00 173.52 2qie n PRO 73 N -3.88 0.17 -2.92 5.54 -0.02 -1.26 -4.87 135.00 127.76 2qie n PRO 73 Ca 0.09 0.06 -0.36 0.00 -2.02 0.00 0.00 63.50 61.27 2qie n PRO 73 Cb 0.53 -1.59 -0.06 0.00 -0.02 0.00 0.00 33.50 32.37 2qie n PRO 73 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 2qie s VAL 74 N 1.19 4.37 -0.19 -1.45 -7.23 -1.26 -4.99 120.40 110.84 2qie s VAL 74 Ca 0.95 1.58 0.24 0.00 -1.81 0.00 0.00 61.98 62.94 2qie s VAL 74 Cb -1.30 -3.93 0.49 0.00 0.56 0.00 0.00 36.38 32.19 2qie s VAL 74 CO 0.64 0.15 1.13 -1.54 -0.31 0.00 0.00 175.10 175.18 2qie n SER 75 N 0.59 1.40 -2.74 4.85 3.41 -1.26 -5.10 113.62 114.76 2qie n SER 75 Ca 0.00 -2.02 -0.07 0.00 -0.26 0.00 0.00 58.87 56.53 2qie n SER 75 Cb 0.51 -0.43 0.06 0.00 -0.26 0.00 0.00 64.21 64.09 2qie n SER 75 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2qie n GLY 76 N -0.32 -2.46 3.21 5.00 0.00 -1.26 -5.33 105.19 104.02 2qie n GLY 76 Ca 0.07 -1.47 0.00 0.00 0.00 0.00 0.00 46.02 44.62 2qie n GLY 76 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93