#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 3.85 -0.21 2.12 1.02 -1.11 -2.18 119.74 123.24 2qie s LYS 2 Ca 0.00 2.05 -0.05 0.00 0.02 0.00 0.00 55.97 57.99 2qie s LYS 2 Cb 0.00 -4.11 -0.02 0.00 -0.52 0.00 0.00 37.83 33.18 2qie s LYS 2 CO 0.00 -1.25 0.00 0.08 -0.92 0.00 0.00 175.35 173.26 2qie s VAL 3 N 5.28 3.95 -0.02 3.17 1.01 0.19 0.08 120.40 134.05 2qie s VAL 3 Ca 0.80 -0.31 0.01 0.00 0.00 0.00 0.00 61.98 62.48 2qie s VAL 3 Cb -0.32 -2.79 -0.04 0.00 0.00 0.00 0.00 36.38 33.23 2qie s VAL 3 CO 0.33 0.42 0.00 -0.76 0.00 0.00 0.00 175.10 175.09 2qie s LEU 4 N 1.09 3.53 -0.00 3.92 1.43 0.26 -1.04 118.68 127.86 2qie s LEU 4 Ca 0.02 0.02 0.04 0.00 -1.03 0.00 0.00 54.13 53.19 2qie s LEU 4 Cb -0.14 -1.99 -0.01 0.00 0.03 0.00 0.00 46.19 44.08 2qie s LEU 4 CO 0.02 0.30 -0.14 -0.31 0.23 0.00 0.00 176.35 176.44 2qie s TYR 5 N -1.05 1.27 0.19 0.29 1.51 0.93 -1.50 117.35 118.99 2qie s TYR 5 Ca 0.18 -0.26 0.01 0.00 -1.01 0.00 0.00 57.07 56.00 2qie s TYR 5 Cb -0.11 -0.81 -0.05 0.00 -0.11 0.00 0.00 41.96 40.88 2qie s TYR 5 CO 0.09 -0.01 0.03 -0.06 -1.11 0.00 0.00 175.55 174.49 2qie s PHE 6 N -0.42 1.23 0.00 2.71 0.40 -1.25 -4.58 117.98 116.08 2qie s PHE 6 Ca 0.05 -1.09 0.00 0.00 -0.60 0.00 0.00 56.93 55.29 2qie s PHE 6 Cb -0.06 -0.70 0.00 0.00 0.51 0.00 0.00 43.02 42.77 2qie s PHE 6 CO -0.00 -0.29 0.00 0.00 0.70 0.00 0.00 175.22 175.63 2qie n ALA 7 N -0.27 0.00 0.39 5.36 0.00 -1.26 -2.79 120.51 121.93 2qie n ALA 7 Ca -0.05 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.52 2qie n ALA 7 Cb 0.64 0.00 0.51 0.00 0.00 0.00 0.00 19.45 20.60 2qie n ALA 7 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 2qie h GLU 8 N 0.00 0.00 -0.12 0.00 4.11 -1.99 -1.99 114.58 114.60 2qie h GLU 8 Ca 0.00 0.00 -0.17 0.00 0.07 0.00 0.00 59.36 59.26 2qie h GLU 8 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 2qie h GLU 8 CO 0.00 0.00 -0.64 0.82 0.07 0.00 0.00 179.01 179.26 2qie h ILE 9 N 0.00 1.36 -0.48 -1.06 2.04 -1.92 -0.17 117.51 117.27 2qie h ILE 9 Ca 0.00 -1.97 -0.10 0.00 1.00 0.00 0.00 64.86 63.78 2qie h ILE 9 Cb 0.38 1.96 -0.02 0.00 -0.74 0.00 0.00 36.82 38.40 2qie h ILE 9 CO 0.00 0.60 -0.11 0.50 0.00 0.00 0.00 178.15 179.14 2qie h LYS 10 N 0.32 0.88 0.49 2.37 3.64 -1.22 -2.46 116.57 120.59 2qie h LYS 10 Ca -0.01 -0.31 -0.02 0.00 -1.27 0.00 0.00 60.65 59.04 2qie h LYS 10 Cb 1.19 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.95 2qie h LYS 10 CO 0.11 0.95 -0.23 -0.44 -2.27 0.00 0.00 179.45 177.57 2qie h ASP 11 N 0.79 -0.55 -0.39 4.20 3.32 -1.13 0.56 116.42 123.22 2qie h ASP 11 Ca 0.13 0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.15 2qie h ASP 11 Cb 0.63 0.14 -0.02 0.00 0.22 0.00 0.00 39.33 40.31 2qie h ASP 11 CO 0.04 -0.38 0.10 0.40 -1.72 0.00 0.00 179.24 177.68 2qie h ILE 12 N -0.68 1.23 0.00 0.35 2.04 -1.09 -1.99 117.51 117.37 2qie h ILE 12 Ca -0.07 -0.77 0.00 0.00 1.00 0.00 0.00 64.86 65.03 2qie h ILE 12 Cb 0.51 0.99 0.00 0.00 -0.74 0.00 0.00 36.82 37.58 2qie h ILE 12 CO 0.11 0.27 0.00 -0.07 0.00 0.00 0.00 178.15 178.46 2qie h LEU 13 N 0.48 0.00 2.28 1.44 3.38 -1.49 -3.47 115.31 117.93 2qie h LEU 13 Ca 0.12 0.00 -0.38 0.00 0.09 0.00 0.00 57.88 57.71 2qie h LEU 13 Cb 0.30 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.00 2qie h LEU 13 CO 0.00 0.00 -0.45 0.00 0.09 0.00 0.00 178.44 178.08 2qie n GLN 14 N -2.69 -1.47 -3.77 1.13 6.02 0.19 -4.98 117.38 111.82 2qie n GLN 14 Ca 0.04 0.98 -0.13 0.00 -0.01 0.00 0.00 57.00 57.87 2qie n GLN 14 Cb 0.41 -5.47 -0.09 0.00 1.02 0.00 0.00 30.24 26.11 2qie n GLN 14 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.06 174.46 2qie s LYS 15 N -4.63 0.63 -0.14 -1.09 -2.85 -0.84 -5.00 119.74 105.82 2qie s LYS 15 Ca 0.00 -0.18 -0.09 0.00 -1.00 0.00 0.00 55.97 54.70 2qie s LYS 15 Cb 0.00 0.28 -0.03 0.00 -2.06 0.00 0.00 37.83 36.02 2qie s LYS 15 CO 0.00 -0.17 -0.18 0.00 0.10 0.00 0.00 175.35 175.10 2qie n ALA 16 N 1.38 0.46 -2.82 0.59 0.00 -1.26 -4.45 120.51 114.41 2qie n ALA 16 Ca -0.21 -0.43 -0.26 0.00 0.00 0.00 0.00 53.44 52.53 2qie n ALA 16 Cb 0.56 0.02 -0.03 0.00 0.00 0.00 0.00 19.45 20.00 2qie n ALA 16 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2qie s GLN 17 N -2.23 3.49 -0.07 0.00 -0.21 -1.26 -0.05 119.66 119.33 2qie s GLN 17 Ca -0.15 -0.43 -0.26 0.00 0.02 0.00 0.00 55.36 54.53 2qie s GLN 17 Cb 0.02 -2.86 0.06 0.00 1.00 0.00 0.00 33.01 31.23 2qie s GLN 17 CO 0.22 0.41 0.60 -1.83 -2.12 0.00 0.00 175.29 172.57 2qie s GLU 18 N -3.42 0.93 -0.25 2.91 -1.05 -0.21 -4.98 118.70 112.63 2qie s GLU 18 Ca 0.37 0.25 -0.05 0.00 -0.15 0.00 0.00 54.97 55.39 2qie s GLU 18 Cb -0.11 0.44 -0.00 0.00 -0.44 0.00 0.00 34.13 34.02 2qie s GLU 18 CO 0.29 -0.27 0.02 -0.51 0.95 0.00 0.00 175.26 175.75 2qie s ASP 19 N -1.01 4.75 -0.22 0.83 1.01 -1.26 -0.64 116.67 120.13 2qie s ASP 19 Ca -0.10 -0.52 -0.02 0.00 0.71 0.00 0.00 52.55 52.62 2qie s ASP 19 Cb -0.02 -1.82 0.01 0.00 1.01 0.00 0.00 42.92 42.11 2qie s ASP 19 CO 0.08 -0.09 -0.08 -0.63 0.21 0.00 0.00 175.17 174.65 2qie s ILE 20 N 1.50 2.91 -0.58 0.77 -1.09 -0.93 -4.81 121.20 118.97 2qie s ILE 20 Ca 0.04 -0.79 -0.27 0.00 -2.23 0.00 0.00 60.65 57.40 2qie s ILE 20 Cb -0.16 -2.37 0.01 0.00 -1.58 0.00 0.00 42.46 38.36 2qie s ILE 20 CO -0.00 0.36 1.51 -0.69 -1.23 0.00 0.00 174.94 174.89 2qie s VAL 21 N 1.38 3.68 0.06 2.92 1.01 -1.26 -2.41 120.40 125.77 2qie s VAL 21 Ca 0.03 0.53 -0.31 0.00 0.00 0.00 0.00 61.98 62.24 2qie s VAL 21 Cb -0.15 -4.36 -0.06 0.00 0.00 0.00 0.00 36.38 31.81 2qie s VAL 21 CO -0.06 -1.16 1.28 -0.76 0.00 0.00 0.00 175.10 174.40 2qie s LEU 22 N 6.65 4.36 0.23 3.92 1.43 -1.26 -4.91 118.68 129.10 2qie s LEU 22 Ca 0.55 2.11 -0.05 0.00 -1.03 0.00 0.00 54.13 55.70 2qie s LEU 22 Cb -0.11 -3.58 0.22 0.00 0.03 0.00 0.00 46.19 42.75 2qie s LEU 22 CO 0.23 -0.56 1.71 -0.33 0.23 0.00 0.00 176.35 177.63 2qie h GLU 23 N 6.95 0.91 -3.08 1.70 5.08 -2.00 -3.46 114.58 120.69 2qie h GLU 23 Ca -0.41 -0.26 0.05 0.00 -1.00 0.00 0.00 59.36 57.74 2qie h GLU 23 Cb 1.21 -0.10 -0.06 0.00 0.50 0.00 0.00 28.75 30.30 2qie h GLU 23 CO 0.84 0.91 0.19 1.14 -1.00 0.00 0.00 179.01 181.09 2qie s GLN 24 N -5.00 1.76 0.38 2.33 -2.07 -1.26 -5.12 119.66 110.68 2qie s GLN 24 Ca -0.10 -1.02 -0.28 0.00 -1.82 0.00 0.00 55.36 52.14 2qie s GLN 24 Cb 0.14 0.59 -0.10 0.00 -1.09 0.00 0.00 33.01 32.55 2qie s GLN 24 CO 0.83 -0.80 1.44 0.00 -1.32 0.00 0.00 175.29 175.45 2qie s ALA 25 N -3.93 3.50 0.29 2.60 0.00 -1.26 -4.84 121.76 118.11 2qie s ALA 25 Ca 0.12 1.50 0.07 0.00 0.00 0.00 0.00 51.96 53.65 2qie s ALA 25 Cb -0.05 -3.58 -0.06 0.00 0.00 0.00 0.00 23.12 19.42 2qie s ALA 25 CO 0.07 -1.01 -0.05 -0.51 0.00 0.00 0.00 175.76 174.25 2qie s LEU 26 N -2.17 2.49 0.90 0.00 1.02 -0.99 -4.94 118.68 115.00 2qie s LEU 26 Ca 0.54 -1.20 -0.14 0.00 0.02 0.00 0.00 54.13 53.34 2qie s LEU 26 Cb -0.45 -0.65 0.16 0.00 0.02 0.00 0.00 46.19 45.27 2qie s LEU 26 CO 0.60 -0.35 1.26 0.42 0.02 0.00 0.00 176.35 178.30 2qie s THR 27 N -2.99 2.02 0.17 5.49 -4.23 -1.26 0.11 115.64 114.94 2qie s THR 27 Ca 0.30 -0.05 -0.06 0.00 -1.18 0.00 0.00 61.69 60.71 2qie s THR 27 Cb 0.04 -2.97 -0.07 0.00 1.34 0.00 0.00 72.50 70.84 2qie s THR 27 CO 0.12 0.00 1.47 0.58 -0.54 0.00 0.00 174.62 176.25 2qie h VAL 28 N -1.41 1.31 -0.29 2.29 2.07 -1.08 -2.72 116.25 116.42 2qie h VAL 28 Ca -0.44 -1.80 -0.06 0.00 0.82 0.00 0.00 66.70 65.22 2qie h VAL 28 Cb 1.26 1.75 -0.01 0.00 -1.52 0.00 0.00 31.29 32.77 2qie h VAL 28 CO 0.45 0.57 -0.04 -0.61 0.02 0.00 0.00 177.57 177.95 2qie h GLN 29 N 0.49 0.54 -0.86 1.57 5.75 -1.58 -0.41 115.11 120.61 2qie h GLN 29 Ca 0.01 -0.19 0.14 0.00 -0.15 0.00 0.00 58.65 58.45 2qie h GLN 29 Cb 1.13 -0.04 -0.07 0.00 1.07 0.00 0.00 27.48 29.58 2qie h GLN 29 CO 0.11 0.72 0.56 1.96 -2.65 0.00 0.00 178.83 179.53 2qie h GLN 30 N 0.31 0.65 -0.09 1.69 4.20 -1.86 -0.52 115.11 119.50 2qie h GLN 30 Ca 0.08 -0.04 -0.08 0.00 0.06 0.00 0.00 58.65 58.67 2qie h GLN 30 Cb 0.51 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 28.14 2qie h GLN 30 CO 0.02 0.43 -0.25 0.35 -0.67 0.00 0.00 178.83 178.72 2qie h PHE 31 N 0.67 0.43 -0.07 2.96 3.57 -1.12 -1.57 116.94 121.82 2qie h PHE 31 Ca 0.43 -0.17 0.04 0.00 3.53 0.00 0.00 57.97 61.80 2qie h PHE 31 Cb 0.68 -0.07 -0.05 0.00 2.79 0.00 0.00 35.95 39.30 2qie h PHE 31 CO -0.00 0.87 -0.26 0.93 -2.23 0.00 0.00 178.31 177.62 2qie h GLU 32 N -0.13 -0.35 -0.29 1.11 5.08 -0.81 0.24 114.58 119.44 2qie h GLU 32 Ca -0.01 0.02 0.07 0.00 -1.00 0.00 0.00 59.36 58.44 2qie h GLU 32 Cb 0.86 0.08 -0.08 0.00 0.50 0.00 0.00 28.75 30.11 2qie h GLU 32 CO 0.05 -0.23 -0.32 -0.44 -1.00 0.00 0.00 179.01 177.07 2qie h ASP 33 N -0.36 -1.03 0.64 1.42 5.19 -1.09 -0.78 116.42 120.40 2qie h ASP 33 Ca 0.08 0.17 -0.04 0.00 -0.62 0.00 0.00 57.03 56.62 2qie h ASP 33 Cb 0.48 0.47 -0.01 0.00 0.18 0.00 0.00 39.33 40.45 2qie h ASP 33 CO -0.27 -0.33 -0.18 -0.07 -3.12 0.00 0.00 179.24 175.26 2qie h LEU 34 N -0.31 0.00 -0.41 1.55 3.38 -1.00 -2.68 115.31 115.84 2qie h LEU 34 Ca 0.14 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.06 2qie h LEU 34 Cb 0.53 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.27 2qie h LEU 34 CO -0.46 0.18 0.08 0.25 0.09 0.00 0.00 178.44 178.58 2qie h LEU 35 N 0.00 0.64 -0.57 1.67 5.85 0.92 -2.44 115.31 121.37 2qie h LEU 35 Ca -0.00 -0.25 -0.16 0.00 0.84 0.00 0.00 57.88 58.31 2qie h LEU 35 Cb 0.55 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.40 2qie h LEU 35 CO 0.02 0.72 -0.68 -0.26 -0.34 0.00 0.00 178.44 177.91 2qie h PHE 36 N 0.52 0.26 -0.57 1.25 0.05 -1.10 0.13 116.94 117.48 2qie h PHE 36 Ca 0.13 -0.11 0.03 0.00 3.82 0.00 0.00 57.97 61.83 2qie h PHE 36 Cb 0.35 -0.04 -0.04 0.00 2.00 0.00 0.00 35.95 38.22 2qie h PHE 36 CO 0.02 0.81 0.34 0.93 -0.18 0.00 0.00 178.31 180.24 2qie h GLU 37 N 0.14 0.66 0.05 1.51 4.39 -1.44 -2.17 114.58 117.71 2qie h GLU 37 Ca -0.02 -0.04 -0.27 0.00 0.34 0.00 0.00 59.36 59.38 2qie h GLU 37 Cb 1.21 -0.15 0.02 0.00 -0.10 0.00 0.00 28.75 29.73 2qie h GLU 37 CO 0.10 0.43 -1.10 -0.09 -1.16 0.00 0.00 179.01 177.20 2qie h ARG 38 N 0.68 0.59 -2.74 2.33 2.43 -1.24 -3.41 114.38 113.02 2qie h ARG 38 Ca 0.23 -0.70 -0.61 0.00 -0.81 0.00 0.00 59.98 58.10 2qie h ARG 38 Cb 0.03 0.21 -0.40 0.00 -0.42 0.00 0.00 29.97 29.39 2qie h ARG 38 CO -0.10 1.29 -0.75 0.66 -1.51 0.00 0.00 179.97 179.56 2qie n TYR 39 N -3.79 1.54 -0.13 2.20 0.53 0.43 -4.97 117.16 112.96 2qie n TYR 39 Ca -0.11 -3.89 0.08 0.00 -1.02 0.00 0.00 57.90 52.96 2qie n TYR 39 Cb 0.91 -0.27 0.41 0.00 -1.03 0.00 0.00 39.34 39.37 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 5.40 0.60 0.00 -0.72 0.11 -1.63 -3.08 132.00 132.69 2qie h PRO 40 Ca 0.20 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.27 2qie h PRO 40 Cb 0.81 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.79 2qie h PRO 40 CO 0.58 0.40 0.00 0.00 -0.21 0.00 0.00 178.00 178.77 2qie n GLN 41 N -4.48 0.05 0.00 1.05 0.00 -1.26 -2.17 117.38 110.57 2qie n GLN 41 Ca 0.10 0.46 0.06 0.00 0.00 0.00 0.00 57.00 57.62 2qie n GLN 41 Cb 0.26 -1.64 -0.01 0.00 0.00 0.00 0.00 30.24 28.85 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 -1.74 0.00 0.13 -0.39 -5.35 -1.16 -4.75 119.36 106.10 2qie n ILE 42 Ca 0.01 -0.35 0.02 0.00 -0.27 0.00 0.00 62.75 62.15 2qie n ILE 42 Cb 0.07 1.13 0.08 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 -0.31 0.00 0.07 7.28 0.23 -0.92 -0.81 115.26 120.79 2qie n ASN 43 Ca 0.05 0.45 0.11 0.00 -0.53 0.00 0.00 54.58 54.66 2qie n ASN 43 Cb 0.26 -0.46 -0.05 0.00 -2.08 0.00 0.00 39.78 37.45 2qie n ASN 43 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 2qie n ASN 44 N -1.46 0.58 -4.84 0.53 5.15 -1.26 -5.01 115.26 108.95 2qie n ASN 44 Ca 0.01 0.20 -0.32 0.00 -0.60 0.00 0.00 54.58 53.87 2qie n ASN 44 Cb 0.04 0.93 -0.03 0.00 -0.53 0.00 0.00 39.78 40.19 2qie n ASN 44 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 2qie s LYS 45 N -3.40 3.91 -0.21 1.20 -0.14 0.01 -5.04 119.74 116.07 2qie s LYS 45 Ca -0.03 0.97 -0.11 0.00 -1.36 0.00 0.00 55.97 55.45 2qie s LYS 45 Cb 0.11 -2.13 -0.05 0.00 -1.68 0.00 0.00 37.83 34.08 2qie s LYS 45 CO 0.83 -0.31 0.17 0.15 -0.76 0.00 0.00 175.35 175.42 2qie s LYS 46 N -4.07 4.17 -0.24 1.68 -0.14 -1.26 -5.07 119.74 114.80 2qie s LYS 46 Ca 0.59 -0.18 -0.26 0.00 -1.36 0.00 0.00 55.97 54.76 2qie s LYS 46 Cb -0.10 -3.45 0.09 0.00 -1.68 0.00 0.00 37.83 32.68 2qie s LYS 46 CO 0.32 0.22 0.81 -0.59 -0.76 0.00 0.00 175.35 175.35 2qie s PHE 47 N 0.58 -0.67 0.70 3.18 -0.12 -1.26 -4.15 117.98 116.23 2qie s PHE 47 Ca 0.09 1.57 -0.11 0.00 -0.05 0.00 0.00 56.93 58.43 2qie s PHE 47 Cb -0.12 0.32 0.01 0.00 -0.63 0.00 0.00 43.02 42.60 2qie s PHE 47 CO 0.01 -0.37 1.09 -0.65 -0.05 0.00 0.00 175.22 175.25 2qie s GLN 48 N 0.08 2.91 -0.00 1.99 1.11 0.10 -4.88 119.66 120.97 2qie s GLN 48 Ca -0.01 0.49 0.07 0.00 0.01 0.00 0.00 55.36 55.92 2qie s GLN 48 Cb -0.04 -2.03 -0.02 0.00 -1.01 0.00 0.00 33.01 29.91 2qie s GLN 48 CO 0.00 -1.00 -0.23 0.08 0.01 0.00 0.00 175.29 174.15 2qie s VAL 49 N -3.34 2.35 -0.06 1.09 1.01 -1.26 -1.07 120.40 119.11 2qie s VAL 49 Ca 0.58 -1.11 0.02 0.00 0.00 0.00 0.00 61.98 61.46 2qie s VAL 49 Cb -0.11 -1.88 0.02 0.00 0.00 0.00 0.00 36.38 34.41 2qie s VAL 49 CO 0.52 0.50 -0.10 0.00 0.00 0.00 0.00 175.10 176.02 2qie s ALA 50 N -0.72 1.14 -0.18 5.51 0.00 -0.60 -3.35 121.76 123.55 2qie s ALA 50 Ca 0.11 -0.34 -0.04 0.00 0.00 0.00 0.00 51.96 51.69 2qie s ALA 50 Cb -0.10 -0.55 -0.02 0.00 0.00 0.00 0.00 23.12 22.45 2qie s ALA 50 CO 0.01 0.07 -0.03 0.08 0.00 0.00 0.00 175.76 175.88 2qie s VAL 51 N 0.75 3.72 -1.55 0.00 1.01 -0.44 -0.89 120.40 123.01 2qie s VAL 51 Ca -0.13 -0.40 -0.09 0.00 0.00 0.00 0.00 61.98 61.36 2qie s VAL 51 Cb -0.15 -2.66 0.08 0.00 0.00 0.00 0.00 36.38 33.64 2qie s VAL 51 CO 0.03 0.45 0.62 0.59 0.00 0.00 0.00 175.10 176.79 2qie n ASN 52 N 4.08 -1.97 -1.58 3.32 4.13 -0.00 -1.94 115.26 121.31 2qie n ASN 52 Ca -0.17 -1.00 -0.12 0.00 1.68 0.00 0.00 54.58 54.97 2qie n ASN 52 Cb 0.52 -2.96 0.01 0.00 -1.54 0.00 0.00 39.78 35.81 2qie n ASN 52 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 2qie n GLU 53 N -4.42 -2.13 -4.08 3.52 1.02 -1.26 -5.03 120.64 108.25 2qie n GLU 53 Ca -0.11 0.49 -0.14 0.00 -0.02 0.00 0.00 57.16 57.38 2qie n GLU 53 Cb 0.59 -4.50 -0.14 0.00 -0.02 0.00 0.00 31.44 27.37 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 -4.98 0.36 0.51 3.49 0.41 -0.82 -5.14 118.70 112.53 2qie s GLU 54 Ca 0.12 -0.28 -0.21 0.00 -0.41 0.00 0.00 54.97 54.19 2qie s GLU 54 Cb -0.05 -0.29 -0.07 0.00 -1.78 0.00 0.00 34.13 31.94 2qie s GLU 54 CO 0.14 0.07 1.14 -0.06 -0.49 0.00 0.00 175.26 176.07 2qie s PHE 55 N -0.40 2.76 0.10 1.61 2.99 -1.26 -1.33 117.98 122.45 2qie s PHE 55 Ca -0.01 1.54 -0.03 0.00 0.00 0.00 0.00 56.93 58.42 2qie s PHE 55 Cb -0.04 -3.33 -0.03 0.00 0.00 0.00 0.00 43.02 39.63 2qie s PHE 55 CO -0.00 -1.54 0.07 0.14 -0.00 0.00 0.00 175.22 173.89 2qie s VAL 56 N -1.68 0.15 0.80 -0.44 -7.23 -1.21 -4.88 120.40 105.91 2qie s VAL 56 Ca 0.69 -1.69 -0.11 0.00 -1.81 0.00 0.00 61.98 59.06 2qie s VAL 56 Cb -0.26 -1.71 0.10 0.00 0.56 0.00 0.00 36.38 35.07 2qie s VAL 56 CO 0.30 -0.67 1.15 -1.10 -0.31 0.00 0.00 175.10 174.47 2qie s GLN 57 N -3.96 1.76 0.42 4.82 -1.52 -1.26 -4.84 119.66 115.07 2qie s GLN 57 Ca 0.14 -0.16 0.12 0.00 -1.95 0.00 0.00 55.36 53.51 2qie s GLN 57 Cb 0.07 -2.01 0.88 0.00 -0.22 0.00 0.00 33.01 31.73 2qie s GLN 57 CO -0.05 -1.65 1.94 0.87 -0.25 0.00 0.00 175.29 176.16 2qie h LYS 58 N -1.01 0.10 0.00 2.91 1.79 -2.00 -3.24 116.57 115.11 2qie h LYS 58 Ca -0.45 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.00 2qie h LYS 58 Cb 1.30 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.94 2qie h LYS 58 CO 0.58 0.28 -0.79 -1.13 -1.08 0.00 0.00 179.45 177.31 2qie n SER 59 N -4.28 0.75 -4.76 0.86 3.41 -1.26 -1.53 113.62 106.80 2qie n SER 59 Ca -0.02 -0.61 -0.38 0.00 -0.26 0.00 0.00 58.87 57.60 2qie n SER 59 Cb 0.27 0.66 0.02 0.00 -0.26 0.00 0.00 64.21 64.90 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 -3.07 5.74 0.07 4.04 1.01 -1.22 -4.65 116.67 118.60 2qie s ASP 60 Ca 0.09 2.57 -0.12 0.00 0.71 0.00 0.00 52.55 55.80 2qie s ASP 60 Cb 0.17 -2.62 -0.06 0.00 1.01 0.00 0.00 42.92 41.41 2qie s ASP 60 CO 0.79 -1.23 0.44 -0.36 0.21 0.00 0.00 175.17 175.02 2qie s PHE 61 N -1.40 3.63 -0.12 4.23 0.40 -1.26 -1.26 117.98 122.21 2qie s PHE 61 Ca 0.67 0.92 -0.02 0.00 -0.60 0.00 0.00 56.93 57.89 2qie s PHE 61 Cb -0.35 -2.25 -0.03 0.00 0.51 0.00 0.00 43.02 40.90 2qie s PHE 61 CO 0.43 0.53 -0.03 0.42 0.70 0.00 0.00 175.22 177.27 2qie s ILE 62 N -1.32 3.97 0.30 0.64 1.01 0.30 -4.96 121.20 121.15 2qie s ILE 62 Ca 0.32 -0.35 0.02 0.00 0.00 0.00 0.00 60.65 60.63 2qie s ILE 62 Cb -0.15 -2.70 -0.03 0.00 0.01 0.00 0.00 42.46 39.59 2qie s ILE 62 CO 0.17 0.55 0.48 -1.10 0.00 0.00 0.00 174.94 175.03 2qie s GLN 63 N -0.23 3.48 0.52 2.79 -1.52 -1.26 -2.34 119.66 121.09 2qie s GLN 63 Ca 0.04 -0.46 0.18 0.00 -1.95 0.00 0.00 55.36 53.17 2qie s GLN 63 Cb -0.13 -2.75 1.28 0.00 -0.22 0.00 0.00 33.01 31.20 2qie s GLN 63 CO 0.02 0.26 2.11 -1.35 -0.25 0.00 0.00 175.29 176.09 2qie h PRO 64 N 1.01 0.02 -0.52 2.91 0.11 -1.90 -2.75 132.00 130.89 2qie h PRO 64 Ca -0.50 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2qie h PRO 64 Cb 1.22 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2qie h PRO 64 CO 0.62 0.01 0.00 0.09 -0.21 0.00 0.00 178.00 178.51 2qie n ASN 65 N -4.50 4.31 -4.84 -2.05 3.02 -1.26 -3.28 115.26 106.65 2qie n ASN 65 Ca 0.00 -2.50 -0.32 0.00 -0.03 0.00 0.00 54.58 51.74 2qie n ASN 65 Cb 0.20 -0.51 0.00 0.00 -0.61 0.00 0.00 39.78 38.86 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 -1.13 6.16 -0.09 6.41 1.01 -1.04 -4.86 116.67 123.13 2qie s ASP 66 Ca 0.44 1.56 -0.12 0.00 0.71 0.00 0.00 52.55 55.15 2qie s ASP 66 Cb 0.30 -2.50 -0.05 0.00 1.01 0.00 0.00 42.92 41.68 2qie s ASP 66 CO 0.20 -0.91 0.29 -0.89 0.21 0.00 0.00 175.17 174.06 2qie s THR 67 N -2.86 5.26 -0.05 -1.27 2.01 -1.26 -2.73 115.64 114.74 2qie s THR 67 Ca 0.58 0.56 0.02 0.00 0.31 0.00 0.00 61.69 63.15 2qie s THR 67 Cb -0.12 -3.59 0.02 0.00 0.01 0.00 0.00 72.50 68.81 2qie s THR 67 CO 0.44 0.52 -0.08 -0.69 -0.69 0.00 0.00 174.62 174.13 2qie s VAL 68 N -0.51 0.76 -0.04 3.82 1.01 0.11 -0.82 120.40 124.73 2qie s VAL 68 Ca 0.19 -0.27 0.06 0.00 0.00 0.00 0.00 61.98 61.95 2qie s VAL 68 Cb -0.14 -0.73 -0.01 0.00 0.00 0.00 0.00 36.38 35.50 2qie s VAL 68 CO 0.07 0.27 -0.20 0.00 0.00 0.00 0.00 175.10 175.24 2qie s ALA 69 N 0.74 1.76 -0.42 5.51 0.00 -0.07 0.89 121.76 130.17 2qie s ALA 69 Ca -0.12 -0.86 -0.22 0.00 0.00 0.00 0.00 51.96 50.77 2qie s ALA 69 Cb -0.14 -0.52 0.02 0.00 0.00 0.00 0.00 23.12 22.48 2qie s ALA 69 CO 0.01 0.37 0.71 -0.51 0.00 0.00 0.00 175.76 176.34 2qie s LEU 70 N -0.22 4.33 -0.47 0.00 1.43 -0.56 -1.56 118.68 121.63 2qie s LEU 70 Ca 0.01 -0.10 -0.11 0.00 -1.03 0.00 0.00 54.13 52.89 2qie s LEU 70 Cb -0.11 -2.85 0.11 0.00 0.03 0.00 0.00 46.19 43.37 2qie s LEU 70 CO 0.01 -0.79 0.36 -0.63 0.23 0.00 0.00 176.35 175.53 2qie s ILE 71 N 3.01 4.51 1.02 -0.59 -1.09 -0.23 -3.79 121.20 124.04 2qie s ILE 71 Ca 0.26 -1.58 -0.12 0.00 -2.23 0.00 0.00 60.65 56.99 2qie s ILE 71 Cb -0.13 -3.88 0.20 0.00 -1.58 0.00 0.00 42.46 37.06 2qie s ILE 71 CO 0.19 -0.72 1.08 -2.16 -1.23 0.00 0.00 174.94 172.10 2qie s PRO 72 N 1.45 0.26 -0.29 2.79 0.04 -1.26 0.00 135.00 137.99 2qie s PRO 72 Ca 0.04 0.85 -0.43 0.00 0.04 0.00 0.00 61.00 61.51 2qie s PRO 72 Cb -0.26 -1.69 -0.19 0.00 0.04 0.00 0.00 34.50 32.40 2qie s PRO 72 CO 0.01 -2.94 1.50 -2.30 0.04 0.00 0.00 177.00 173.32 2qie n PRO 73 N -4.37 0.40 -1.68 0.56 -0.02 -1.26 -4.73 135.00 123.89 2qie n PRO 73 Ca 0.06 0.14 -0.37 0.00 -2.02 0.00 0.00 63.50 61.31 2qie n PRO 73 Cb 0.55 -1.70 0.06 0.00 -0.02 0.00 0.00 33.50 32.39 2qie n PRO 73 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2qie n VAL 74 N 3.50 4.41 -2.70 -1.45 0.31 -1.26 -4.98 118.33 116.16 2qie n VAL 74 Ca 0.26 -0.50 -0.05 0.00 -0.01 0.00 0.00 64.34 64.04 2qie n VAL 74 Cb 0.04 -1.37 0.10 0.00 -0.91 0.00 0.00 33.84 31.71 2qie n VAL 74 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 2qie n SER 75 N -1.40 -1.00 -2.41 4.52 3.41 -1.26 -5.15 113.62 110.33 2qie n SER 75 Ca 0.15 -2.37 -0.01 0.00 -0.26 0.00 0.00 58.87 56.37 2qie n SER 75 Cb 0.48 0.57 0.01 0.00 -0.26 0.00 0.00 64.21 65.00 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 -0.84 -2.07 3.36 5.00 0.00 -1.26 -5.32 105.19 104.06 2qie n GLY 76 Ca -0.05 -1.52 0.00 0.00 0.00 0.00 0.00 46.02 44.45 2qie n GLY 76 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93