#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1quw s THR 2 N 0.00 4.31 0.32 0.00 -4.23 -1.26 -4.90 115.64 109.87 1quw s THR 2 Ca 0.00 0.15 0.02 0.00 -1.18 0.00 0.00 61.69 60.69 1quw s THR 2 Cb 0.00 -3.67 -0.03 0.00 1.34 0.00 0.00 72.50 70.14 1quw s THR 2 CO 0.00 -0.69 0.49 -0.32 -0.54 0.00 0.00 174.62 173.55 1quw s MET 3 N -4.89 3.42 -0.11 3.99 -2.45 -1.15 -5.01 119.30 113.10 1quw s MET 3 Ca 0.51 -0.53 -0.03 0.00 -1.25 0.00 0.00 55.69 54.39 1quw s MET 3 Cb -0.10 -2.74 0.04 0.00 1.25 0.00 0.00 34.83 33.27 1quw s MET 3 CO 0.46 0.22 0.04 0.99 1.05 0.00 0.00 175.02 177.77 1quw s THR 4 N -2.21 0.18 0.56 10.11 2.01 -1.26 -1.54 115.64 123.50 1quw s THR 4 Ca 0.39 0.01 0.07 0.00 0.31 0.00 0.00 61.69 62.47 1quw s THR 4 Cb -0.09 -0.54 0.07 0.00 0.01 0.00 0.00 72.50 71.94 1quw s THR 4 CO 0.33 0.03 0.77 -0.76 -0.69 0.00 0.00 174.62 174.30 1quw s LEU 5 N 2.04 3.23 0.01 4.42 1.02 -0.15 -4.87 118.68 124.38 1quw s LEU 5 Ca 0.03 -0.63 -0.26 0.00 0.02 0.00 0.00 54.13 53.30 1quw s LEU 5 Cb -0.14 -2.00 0.06 0.00 0.02 0.00 0.00 46.19 44.13 1quw s LEU 5 CO -0.06 -1.27 0.58 0.28 0.02 0.00 0.00 176.35 175.90 1quw s THR 6 N -2.66 0.02 0.20 5.49 -1.32 -1.26 -4.48 115.64 111.62 1quw s THR 6 Ca 0.61 -0.13 -0.00 0.00 -1.21 0.00 0.00 61.69 60.96 1quw s THR 6 Cb -0.07 -0.96 0.29 0.00 -1.51 0.00 0.00 72.50 70.25 1quw s THR 6 CO 0.38 -0.07 1.04 -0.90 -2.21 0.00 0.00 174.62 172.87 1quw n ASP 7 N 0.59 -0.11 -0.03 8.08 5.75 -1.26 0.13 116.55 129.71 1quw n ASP 7 Ca -0.19 1.14 -0.18 0.00 -0.01 0.00 0.00 54.79 55.55 1quw n ASP 7 Cb 0.59 -0.40 -0.13 0.00 -1.03 0.00 0.00 41.12 40.15 1quw n ASP 7 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1quw h ALA 8 N 1.33 0.02 0.00 2.12 0.00 -2.01 -3.21 119.26 117.51 1quw h ALA 8 Ca 0.39 -0.71 -0.09 0.00 0.00 0.00 0.00 54.91 54.49 1quw h ALA 8 Cb 0.76 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 1quw h ALA 8 CO -0.64 0.29 -0.43 -0.97 0.00 0.00 0.00 179.25 177.50 1quw h ASN 9 N -0.73 0.00 -0.32 0.00 -1.24 -1.61 -3.10 115.58 108.58 1quw h ASN 9 Ca -0.12 0.00 0.07 0.00 0.71 0.00 0.00 56.30 56.96 1quw h ASN 9 Cb 1.32 0.00 -0.07 0.00 0.73 0.00 0.00 38.32 40.30 1quw h ASN 9 CO 0.03 0.43 -0.13 0.15 -1.29 0.00 0.00 177.43 176.62 1quw h PHE 10 N 0.00 -0.31 -0.48 0.67 3.04 0.10 0.22 116.94 120.17 1quw h PHE 10 Ca -0.00 0.03 -0.13 0.00 3.98 0.00 0.00 57.97 61.85 1quw h PHE 10 Cb 0.89 0.19 -0.01 0.00 2.56 0.00 0.00 35.95 39.57 1quw h PHE 10 CO 0.00 -0.20 -0.21 1.96 -2.02 0.00 0.00 178.31 177.84 1quw h GLN 11 N -0.07 0.99 -0.28 1.11 1.08 -1.54 -1.82 115.11 114.57 1quw h GLN 11 Ca 0.16 -0.41 -0.05 0.00 -1.45 0.00 0.00 58.65 56.90 1quw h GLN 11 Cb 0.32 -0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 27.70 1quw h GLN 11 CO -0.37 1.09 -0.04 0.37 -0.95 0.00 0.00 178.83 178.93 1quw h GLN 12 N 0.85 0.43 0.11 1.46 4.15 -1.42 -2.09 115.11 118.61 1quw h GLN 12 Ca 0.11 -0.09 -0.01 0.00 0.77 0.00 0.00 58.65 59.44 1quw h GLN 12 Cb 0.78 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 28.41 1quw h GLN 12 CO 0.06 0.49 -0.05 0.00 -1.93 0.00 0.00 178.83 177.40 1quw h ALA 13 N 1.56 -0.15 0.00 3.38 0.00 -0.11 -3.26 119.26 120.68 1quw h ALA 13 Ca 0.09 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.75 1quw h ALA 13 Cb 0.33 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1quw h ALA 13 CO 0.01 -0.43 -0.43 -0.84 0.00 0.00 0.00 179.25 177.56 1quw h ILE 14 N -0.46 0.93 0.00 0.00 3.07 -1.26 -3.00 117.51 116.79 1quw h ILE 14 Ca -0.02 -1.72 0.00 0.00 1.55 0.00 0.00 64.86 64.67 1quw h ILE 14 Cb 0.37 2.05 0.00 0.00 -0.27 0.00 0.00 36.82 38.97 1quw h ILE 14 CO 0.03 0.42 0.00 1.56 -1.05 0.00 0.00 178.15 179.10 1quw h GLN 15 N 0.00 0.00 0.00 0.16 1.08 -1.44 -0.30 115.11 114.61 1quw h GLN 15 Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1quw h GLN 15 Cb 1.01 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.44 1quw h GLN 15 CO 0.06 0.00 0.00 0.41 -0.95 0.00 0.00 178.83 178.35 1quw n GLY 16 N 0.22 -1.99 0.69 3.46 0.00 -1.13 -4.70 105.19 101.74 1quw n GLY 16 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1quw n GLY 16 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1quw n ASP 17 N 0.00 0.00 -4.73 1.61 2.03 -1.26 -4.93 116.55 109.28 1quw n ASP 17 Ca 0.00 0.00 -0.42 0.00 0.52 0.00 0.00 54.79 54.89 1quw n ASP 17 Cb 0.00 0.17 -0.03 0.00 -0.72 0.00 0.00 41.12 40.55 1quw n ASP 17 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 1quw s LYS 18 N -1.66 4.23 0.18 -0.67 2.47 -1.26 -4.65 119.74 118.38 1quw s LYS 18 Ca 0.00 2.35 -0.33 0.00 -1.56 0.00 0.00 55.97 56.43 1quw s LYS 18 Cb 0.00 -3.13 -0.15 0.00 -1.46 0.00 0.00 37.83 33.09 1quw s LYS 18 CO 0.00 -0.55 1.34 -2.30 0.16 0.00 0.00 175.35 174.00 1quw n PRO 19 N 3.35 1.61 -3.84 4.03 -0.02 -1.26 -4.82 135.00 134.04 1quw n PRO 19 Ca 0.11 0.58 -0.23 0.00 -2.02 0.00 0.00 63.50 61.94 1quw n PRO 19 Cb 0.39 -2.19 -0.17 0.00 -0.02 0.00 0.00 33.50 31.50 1quw n PRO 19 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1quw s VAL 20 N 0.12 0.53 -0.21 -1.45 1.01 -0.49 -4.50 120.40 115.42 1quw s VAL 20 Ca 0.74 0.01 -0.26 0.00 0.00 0.00 0.00 61.98 62.47 1quw s VAL 20 Cb -0.77 -0.64 -0.00 0.00 0.00 0.00 0.00 36.38 34.96 1quw s VAL 20 CO 0.48 0.28 0.90 -0.22 0.00 0.00 0.00 175.10 176.54 1quw s LEU 21 N 1.81 4.13 -0.10 3.92 2.96 -0.38 -1.22 118.68 129.80 1quw s LEU 21 Ca 0.03 1.21 -0.13 0.00 -0.22 0.00 0.00 54.13 55.02 1quw s LEU 21 Cb -0.13 -3.33 -0.05 0.00 0.50 0.00 0.00 46.19 43.19 1quw s LEU 21 CO -0.05 -0.52 0.31 -0.69 -1.32 0.00 0.00 176.35 174.08 1quw s VAL 22 N 2.65 5.25 -0.33 1.68 1.01 0.66 0.10 120.40 131.42 1quw s VAL 22 Ca 0.39 0.60 -0.03 0.00 0.00 0.00 0.00 61.98 62.95 1quw s VAL 22 Cb -0.16 -3.62 0.06 0.00 0.00 0.00 0.00 36.38 32.66 1quw s VAL 22 CO 0.09 0.49 0.05 -1.81 0.00 0.00 0.00 175.10 173.93 1quw s ASP 23 N -0.33 5.03 -0.11 3.32 1.11 -0.02 -0.76 116.67 124.90 1quw s ASP 23 Ca 0.19 -1.39 -0.24 0.00 0.18 0.00 0.00 52.55 51.29 1quw s ASP 23 Cb -0.14 -1.76 -0.03 0.00 1.07 0.00 0.00 42.92 42.06 1quw s ASP 23 CO 0.07 -0.32 0.75 -0.36 1.18 0.00 0.00 175.17 176.49 1quw s PHE 24 N 1.25 3.51 0.34 4.23 0.08 0.11 -2.38 117.98 125.12 1quw s PHE 24 Ca -0.02 1.24 -0.11 0.00 0.12 0.00 0.00 56.93 58.15 1quw s PHE 24 Cb -0.20 -2.89 0.02 0.00 -0.57 0.00 0.00 43.02 39.38 1quw s PHE 24 CO -0.01 -0.06 0.63 1.67 -0.10 0.00 0.00 175.22 177.35 1quw s TRP 25 N 1.39 0.44 0.03 0.36 1.48 -1.18 -1.45 118.94 120.02 1quw s TRP 25 Ca 0.37 -0.90 -0.05 0.00 -1.06 0.00 0.00 56.10 54.47 1quw s TRP 25 Cb -0.17 0.41 -0.01 0.00 -1.16 0.00 0.00 33.47 32.54 1quw s TRP 25 CO 0.16 -1.30 0.08 0.00 -4.06 0.00 0.00 176.95 171.83 1quw s ALA 26 N -3.01 -0.05 0.05 2.67 0.00 -1.26 -2.99 121.76 117.16 1quw s ALA 26 Ca 0.21 -0.53 0.21 0.00 0.00 0.00 0.00 51.96 51.86 1quw s ALA 26 Cb -0.03 0.22 0.69 0.00 0.00 0.00 0.00 23.12 24.00 1quw s ALA 26 CO 0.14 -0.28 1.73 0.00 0.00 0.00 0.00 175.76 177.34 1quw h ALA 27 N 3.85 0.95 -0.01 0.00 0.00 -2.02 -2.74 119.26 119.28 1quw h ALA 27 Ca -0.32 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.33 1quw h ALA 27 Cb 1.19 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1quw h ALA 27 CO 0.49 0.36 -0.21 -2.67 0.00 0.00 0.00 179.25 177.22 1quw n TRP 28 N -3.36 0.00 -2.11 0.00 4.27 -1.26 -4.97 117.44 110.01 1quw n TRP 28 Ca 0.01 0.00 -0.39 0.00 -3.89 0.00 0.00 57.50 53.22 1quw n TRP 28 Cb 0.51 -0.11 -0.01 0.00 -1.36 0.00 0.00 31.31 30.34 1quw n TRP 28 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1quw h GLY 30 N 2.69 0.00 2.00 0.00 0.00 -1.93 -3.37 103.07 102.46 1quw h GLY 30 Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.84 1quw h GLY 30 CO 0.63 0.00 0.00 -0.56 0.00 0.00 0.00 176.54 176.61 1quw h PRO 31 N -0.98 0.00 0.00 4.80 0.13 -1.94 -1.04 132.00 132.97 1quw h PRO 31 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1quw h PRO 31 Cb 0.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.40 1quw h PRO 31 CO 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 177.77 1quw h ARG 33 N 0.00 0.20 0.00 0.00 3.08 -1.34 -2.41 114.38 113.91 1quw h ARG 33 Ca 0.00 -0.02 -0.21 0.00 0.07 0.00 0.00 59.98 59.83 1quw h ARG 33 Cb 0.66 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.64 1quw h ARG 33 CO 0.00 0.16 -0.98 0.52 -1.07 0.00 0.00 179.97 178.60 1quw h MET 34 N 0.21 0.01 0.00 0.04 2.86 -1.75 -3.16 114.93 113.13 1quw h MET 34 Ca 0.05 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.68 1quw h MET 34 Cb 0.02 0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.69 1quw h MET 34 CO -0.01 0.98 0.00 -1.33 1.06 0.00 0.00 176.91 177.61 1quw n MET 35 N -3.39 0.11 0.08 1.72 2.81 -0.92 -4.04 117.12 113.47 1quw n MET 35 Ca -0.00 0.12 -0.13 0.00 -1.81 0.00 0.00 57.70 55.88 1quw n MET 35 Cb 0.92 -1.50 -0.06 0.00 -0.71 0.00 0.00 33.22 31.87 1quw n MET 35 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1quw h ALA 36 N 2.82 -0.54 0.00 3.04 0.00 -1.49 -1.57 119.26 121.53 1quw h ALA 36 Ca 0.00 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1quw h ALA 36 Cb 0.31 0.60 -0.00 0.00 0.00 0.00 0.00 17.79 18.69 1quw h ALA 36 CO 0.00 -0.87 -0.08 -1.00 0.00 0.00 0.00 179.25 177.30 1quw h PRO 37 N -0.52 0.00 0.09 0.00 0.13 -1.83 -3.04 132.00 126.83 1quw h PRO 37 Ca 0.05 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.91 1quw h PRO 37 Cb 0.59 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.71 1quw h PRO 37 CO -0.26 0.08 -1.34 -0.39 -0.23 0.00 0.00 178.00 175.86 1quw h VAL 38 N 0.00 1.37 -0.24 1.56 -1.51 -1.72 -3.22 116.25 112.49 1quw h VAL 38 Ca -0.00 -3.01 -0.18 0.00 -1.23 0.00 0.00 66.70 62.27 1quw h VAL 38 Cb 0.70 2.82 -0.00 0.00 -2.13 0.00 0.00 31.29 32.67 1quw h VAL 38 CO 0.01 0.85 -0.58 -0.07 -1.23 0.00 0.00 177.57 176.55 1quw h LEU 39 N 0.05 0.86 -0.83 4.19 3.38 -1.22 0.13 115.31 121.88 1quw h LEU 39 Ca -0.16 -0.48 -0.07 0.00 0.09 0.00 0.00 57.88 57.26 1quw h LEU 39 Cb 1.95 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 42.43 1quw h LEU 39 CO 0.16 1.25 0.11 -0.33 0.09 0.00 0.00 178.44 179.73 1quw h GLU 40 N 0.58 0.99 0.00 1.13 4.39 -1.68 -1.01 114.58 118.97 1quw h GLU 40 Ca 0.00 -0.24 -0.05 0.00 0.34 0.00 0.00 59.36 59.41 1quw h GLU 40 Cb 1.18 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 29.69 1quw h GLU 40 CO 0.12 0.91 -0.25 0.93 -1.16 0.00 0.00 179.01 179.55 1quw h GLU 41 N 0.94 0.00 -0.19 2.33 5.08 -1.52 -3.17 114.58 118.04 1quw h GLU 41 Ca 0.19 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.39 1quw h GLU 41 Cb 0.39 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.64 1quw h GLU 41 CO 0.01 0.25 -0.51 0.35 -1.00 0.00 0.00 179.01 178.11 1quw h PHE 42 N 0.00 0.89 0.00 4.33 3.57 0.54 -1.79 116.94 124.47 1quw h PHE 42 Ca -0.00 -0.35 -0.06 0.00 3.53 0.00 0.00 57.97 61.10 1quw h PHE 42 Cb 0.58 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.16 1quw h PHE 42 CO 0.00 1.14 -0.27 0.00 -2.23 0.00 0.00 178.31 176.95 1quw h ALA 43 N 0.58 1.23 0.00 2.41 0.00 -1.35 -1.98 119.26 120.14 1quw h ALA 43 Ca -0.01 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1quw h ALA 43 Cb 1.13 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1quw h ALA 43 CO 0.11 0.33 -0.33 0.93 0.00 0.00 0.00 179.25 180.30 1quw h GLU 44 N 0.00 0.00 0.14 0.00 4.39 -1.50 -1.38 114.58 116.23 1quw h GLU 44 Ca -0.00 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 1quw h GLU 44 Cb 0.60 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.25 1quw h GLU 44 CO 0.03 0.00 -0.07 0.00 -1.16 0.00 0.00 179.01 177.82 1quw h ALA 45 N 2.48 -0.19 0.19 3.43 0.00 -0.56 -3.38 119.26 121.23 1quw h ALA 45 Ca 0.00 -0.17 -0.35 0.00 0.00 0.00 0.00 54.91 54.39 1quw h ALA 45 Cb 0.76 0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.64 1quw h ALA 45 CO 0.00 -0.21 -1.73 0.45 0.00 0.00 0.00 179.25 177.76 1quw h HIS 46 N -0.99 0.74 0.00 0.00 3.86 -1.66 -3.48 115.15 113.63 1quw h HIS 46 Ca -0.02 -0.54 0.00 0.00 -1.16 0.00 0.00 60.37 58.65 1quw h HIS 46 Cb 0.40 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 28.84 1quw h HIS 46 CO 0.07 1.67 0.00 0.00 0.86 0.00 0.00 177.93 180.52 1quw n ALA 47 N -2.85 0.00 0.18 2.45 0.00 -0.52 -3.06 120.51 116.71 1quw n ALA 47 Ca -0.24 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.23 1quw n ALA 47 Cb 1.08 0.00 0.17 0.00 0.00 0.00 0.00 19.45 20.70 1quw n ALA 47 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1quw n ASP 48 N 6.99 3.05 -0.06 0.00 2.03 -1.26 -3.75 116.55 123.55 1quw n ASP 48 Ca 0.00 -2.40 -0.11 0.00 0.52 0.00 0.00 54.79 52.80 1quw n ASP 48 Cb 0.00 -0.58 -0.05 0.00 -0.72 0.00 0.00 41.12 39.76 1quw n ASP 48 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 1quw n LYS 49 N 0.27 0.30 -4.20 -0.67 3.00 -1.17 -4.98 118.16 110.70 1quw n LYS 49 Ca 0.12 0.09 -0.34 0.00 -0.00 0.00 0.00 58.31 58.18 1quw n LYS 49 Cb 0.66 -1.14 -0.11 0.00 0.00 0.00 0.00 35.03 34.43 1quw n LYS 49 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1quw s VAL 50 N -2.25 4.19 -0.60 3.15 0.11 -1.25 -4.98 120.40 118.78 1quw s VAL 50 Ca -0.17 -0.25 -0.20 0.00 -2.93 0.00 0.00 61.98 58.43 1quw s VAL 50 Cb 0.05 -2.87 0.09 0.00 -1.53 0.00 0.00 36.38 32.12 1quw s VAL 50 CO 0.27 0.47 0.77 -0.89 -3.33 0.00 0.00 175.10 172.38 1quw s THR 51 N 0.52 4.69 -0.92 5.04 2.01 -1.26 -4.63 115.64 121.09 1quw s THR 51 Ca -0.01 -0.73 -0.23 0.00 0.31 0.00 0.00 61.69 61.04 1quw s THR 51 Cb -0.14 -4.52 0.07 0.00 0.01 0.00 0.00 72.50 67.93 1quw s THR 51 CO 0.02 -1.17 1.29 -0.69 -0.69 0.00 0.00 174.62 173.39 1quw s VAL 52 N 3.06 4.13 0.63 3.82 1.01 -1.26 -1.25 120.40 130.55 1quw s VAL 52 Ca 0.15 -0.74 0.06 0.00 0.00 0.00 0.00 61.98 61.45 1quw s VAL 52 Cb -0.21 -4.93 0.10 0.00 0.00 0.00 0.00 36.38 31.34 1quw s VAL 52 CO 0.08 -1.77 0.87 0.00 0.00 0.00 0.00 175.10 174.28 1quw s ALA 53 N 4.43 4.36 -0.10 5.51 0.00 0.11 -2.96 121.76 133.12 1quw s ALA 53 Ca 0.38 -2.02 -0.03 0.00 0.00 0.00 0.00 51.96 50.29 1quw s ALA 53 Cb -0.04 -1.64 0.05 0.00 0.00 0.00 0.00 23.12 21.48 1quw s ALA 53 CO -0.04 -1.10 0.12 0.15 0.00 0.00 0.00 175.76 174.89 1quw s LYS 54 N -4.85 0.01 -0.19 0.00 -0.14 -0.59 -0.84 119.74 113.15 1quw s LYS 54 Ca 0.64 0.34 -0.00 0.00 -1.36 0.00 0.00 55.97 55.58 1quw s LYS 54 Cb -0.05 -0.76 0.01 0.00 -1.68 0.00 0.00 37.83 35.35 1quw s LYS 54 CO 0.41 -0.42 -0.15 -1.17 -0.76 0.00 0.00 175.35 173.26 1quw s LEU 55 N 2.22 2.38 -0.27 3.17 1.98 -1.00 -0.97 118.68 126.18 1quw s LEU 55 Ca 0.04 -0.56 -0.26 0.00 -2.89 0.00 0.00 54.13 50.45 1quw s LEU 55 Cb -0.13 -1.56 0.01 0.00 0.66 0.00 0.00 46.19 45.16 1quw s LEU 55 CO -0.06 0.00 0.93 0.20 -1.89 0.00 0.00 176.35 175.53 1quw s ASN 56 N 1.30 6.88 0.47 3.68 -0.87 -1.26 -3.07 114.94 122.06 1quw s ASN 56 Ca 0.04 1.03 0.25 0.00 -1.57 0.00 0.00 52.86 52.61 1quw s ASN 56 Cb -0.14 -2.48 1.10 0.00 -0.02 0.00 0.00 41.25 39.71 1quw s ASN 56 CO -0.09 -0.66 1.90 -0.37 -2.57 0.00 0.00 177.10 175.31 1quw h VAL 57 N 5.55 0.54 -0.13 1.60 -1.51 -1.77 0.58 116.25 121.11 1quw h VAL 57 Ca -0.22 -0.93 -0.21 0.00 -1.23 0.00 0.00 66.70 64.10 1quw h VAL 57 Cb 1.08 1.63 0.01 0.00 -2.13 0.00 0.00 31.29 31.88 1quw h VAL 57 CO 0.94 0.19 -0.77 -0.78 -1.23 0.00 0.00 177.57 175.92 1quw h ASP 58 N 0.00 0.82 0.01 4.19 3.58 -1.91 -3.34 116.42 119.77 1quw h ASP 58 Ca -0.00 -0.54 -0.00 0.00 0.42 0.00 0.00 57.03 56.91 1quw h ASP 58 Cb 0.62 -0.24 0.00 0.00 1.72 0.00 0.00 39.33 41.43 1quw h ASP 58 CO 0.02 1.32 -0.00 -0.08 -2.88 0.00 0.00 179.24 177.63 1quw h GLU 59 N 0.47 -0.01 -5.35 0.28 4.81 -1.91 -3.45 114.58 109.42 1quw h GLU 59 Ca -0.05 0.00 -0.61 0.00 -0.13 0.00 0.00 59.36 58.58 1quw h GLU 59 Cb 1.39 0.00 -0.12 0.00 0.63 0.00 0.00 28.75 30.65 1quw h GLU 59 CO 0.15 0.71 -0.25 -0.80 -0.73 0.00 0.00 179.01 178.10 1quw s ASN 60 N -6.02 6.38 -0.05 1.04 0.01 0.18 -4.97 114.94 111.52 1quw s ASN 60 Ca -0.14 0.44 0.20 0.00 -0.71 0.00 0.00 52.86 52.65 1quw s ASN 60 Cb -0.02 -2.21 -0.30 0.00 0.41 0.00 0.00 41.25 39.13 1quw s ASN 60 CO 0.51 -0.07 0.39 -0.81 -1.51 0.00 0.00 177.10 175.62 1quw n PRO 61 N 4.51 0.65 0.08 -0.60 -0.04 -1.26 -4.54 135.00 133.80 1quw n PRO 61 Ca -0.09 -0.16 -0.19 0.00 -0.04 0.00 0.00 63.50 63.02 1quw n PRO 61 Cb 0.51 -1.47 -0.15 0.00 -0.04 0.00 0.00 33.50 32.35 1quw n PRO 61 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 1quw h GLU 62 N 0.00 0.32 0.00 0.54 -0.00 -1.96 -3.31 114.58 110.18 1quw h GLU 62 Ca -0.06 -0.55 -0.14 0.00 -0.00 0.00 0.00 59.36 58.61 1quw h GLU 62 Cb 1.05 0.20 -0.02 0.00 -0.00 0.00 0.00 28.75 29.99 1quw h GLU 62 CO 0.00 1.21 -0.67 0.00 -0.00 0.00 0.00 179.01 179.56 1quw h THR 63 N 0.09 1.43 -0.13 -1.06 1.03 -1.94 -1.99 112.91 110.34 1quw h THR 63 Ca -0.25 -2.31 -0.13 0.00 -0.01 0.00 0.00 66.41 63.71 1quw h THR 63 Cb 2.05 2.26 -0.01 0.00 -1.07 0.00 0.00 68.15 71.38 1quw h THR 63 CO 0.19 0.65 -0.47 0.00 -0.01 0.00 0.00 175.52 175.88 1quw h THR 64 N 0.00 1.33 0.00 0.00 1.03 -1.82 -2.85 112.91 110.59 1quw h THR 64 Ca -0.01 -1.68 -0.19 0.00 -0.01 0.00 0.00 66.41 64.52 1quw h THR 64 Cb 1.21 1.75 -0.03 0.00 -1.07 0.00 0.00 68.15 70.01 1quw h THR 64 CO 0.09 0.51 -1.01 -1.28 -0.01 0.00 0.00 175.52 173.82 1quw h SER 65 N 0.27 0.00 -0.18 0.00 0.87 -1.61 -2.87 113.55 110.02 1quw h SER 65 Ca 0.02 0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.52 1quw h SER 65 Cb 0.94 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.89 1quw h SER 65 CO 0.08 0.85 -0.08 -0.61 -0.53 0.00 0.00 176.83 176.54 1quw h GLN 66 N 0.00 0.38 0.00 2.24 4.15 -1.31 -3.32 115.11 117.26 1quw h GLN 66 Ca -0.06 -0.16 -0.24 0.00 0.77 0.00 0.00 58.65 58.96 1quw h GLN 66 Cb 1.70 -0.01 -0.04 0.00 0.21 0.00 0.00 27.48 29.34 1quw h GLN 66 CO 0.10 0.68 -1.28 0.74 -1.93 0.00 0.00 178.83 177.14 1quw h PHE 67 N 0.07 0.01 -2.30 3.99 0.04 -1.63 -3.49 116.94 113.64 1quw h PHE 67 Ca 0.04 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.80 1quw h PHE 67 Cb 0.56 -0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.71 1quw h PHE 67 CO 0.06 1.01 0.00 0.41 -0.60 0.00 0.00 178.31 179.19 1quw n GLY 68 N 1.43 -0.23 3.67 -1.45 0.00 -1.10 -4.96 105.19 102.54 1quw n GLY 68 Ca -0.07 -0.27 -0.42 0.00 0.00 0.00 0.00 46.02 45.26 1quw n GLY 68 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1quw s ILE 69 N -1.56 3.73 0.13 -0.61 -1.09 -1.13 -4.88 121.20 115.79 1quw s ILE 69 Ca 0.00 0.94 -0.18 0.00 -2.23 0.00 0.00 60.65 59.18 1quw s ILE 69 Cb 0.00 -3.60 -0.03 0.00 -1.58 0.00 0.00 42.46 37.24 1quw s ILE 69 CO 0.00 -0.07 1.77 0.24 -1.23 0.00 0.00 174.94 175.65 1quw h MET 70 N 8.94 0.40 0.00 2.79 2.86 -1.94 -3.46 114.93 124.52 1quw h MET 70 Ca -0.36 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.24 1quw h MET 70 Cb 1.16 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 32.74 1quw h MET 70 CO 0.95 0.29 0.00 0.45 1.06 0.00 0.00 176.91 179.66 1quw n SER 71 N -4.86 0.00 -4.77 1.22 2.88 -1.26 -5.12 113.62 101.71 1quw n SER 71 Ca -0.01 0.00 -0.41 0.00 -1.33 0.00 0.00 58.87 57.12 1quw n SER 71 Cb 0.04 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.49 1quw n SER 71 CO 0.00 0.00 0.00 0.27 -1.23 0.00 0.00 175.04 174.08 1quw s ILE 72 N 0.00 2.47 0.04 2.46 -5.25 -1.26 -3.50 121.20 116.16 1quw s ILE 72 Ca 0.00 0.47 -0.30 0.00 -0.99 0.00 0.00 60.65 59.83 1quw s ILE 72 Cb 0.00 -3.30 -0.04 0.00 2.95 0.00 0.00 42.46 42.07 1quw s ILE 72 CO 0.00 0.11 1.00 -2.16 -1.79 0.00 0.00 174.94 172.10 1quw s PRO 73 N -1.92 4.59 -0.17 0.37 0.04 -1.26 -4.73 135.00 131.91 1quw s PRO 73 Ca 0.50 1.47 0.01 0.00 0.04 0.00 0.00 61.00 63.03 1quw s PRO 73 Cb -0.42 -3.42 0.03 0.00 0.04 0.00 0.00 34.50 30.73 1quw s PRO 73 CO 0.57 0.01 -0.16 0.99 0.04 0.00 0.00 177.00 178.45 1quw s THR 74 N 0.68 1.80 -0.20 1.26 2.01 -0.53 -1.46 115.64 119.21 1quw s THR 74 Ca 0.51 -0.87 -0.04 0.00 0.31 0.00 0.00 61.69 61.60 1quw s THR 74 Cb -0.23 -1.71 -0.02 0.00 0.01 0.00 0.00 72.50 70.55 1quw s THR 74 CO 0.29 0.42 -0.02 -0.76 -0.69 0.00 0.00 174.62 173.85 1quw s LEU 75 N 1.38 3.14 -0.03 4.42 1.43 -0.86 0.05 118.68 128.20 1quw s LEU 75 Ca 0.03 -0.25 0.00 0.00 -1.03 0.00 0.00 54.13 52.89 1quw s LEU 75 Cb -0.14 -1.79 0.03 0.00 0.03 0.00 0.00 46.19 44.32 1quw s LEU 75 CO -0.11 0.06 0.01 -0.63 0.23 0.00 0.00 176.35 175.91 1quw s ILE 76 N 1.01 0.12 -0.03 -0.59 1.01 0.06 -3.23 121.20 119.55 1quw s ILE 76 Ca 0.01 0.14 -0.16 0.00 0.00 0.00 0.00 60.65 60.64 1quw s ILE 76 Cb -0.14 -0.24 -0.05 0.00 0.01 0.00 0.00 42.46 42.03 1quw s ILE 76 CO 0.01 0.14 0.42 -0.22 0.00 0.00 0.00 174.94 175.30 1quw s LEU 77 N 1.18 4.42 0.04 2.97 0.20 -1.22 -0.25 118.68 126.03 1quw s LEU 77 Ca -0.08 0.92 0.08 0.00 0.69 0.00 0.00 54.13 55.75 1quw s LEU 77 Cb -0.13 -2.61 -0.03 0.00 -0.43 0.00 0.00 46.19 42.99 1quw s LEU 77 CO -0.02 0.24 -0.23 -0.36 -0.29 0.00 0.00 176.35 175.70 1quw s PHE 78 N -0.64 2.43 0.06 5.38 0.40 -0.36 0.41 117.98 125.66 1quw s PHE 78 Ca 0.24 -0.34 -0.01 0.00 -0.60 0.00 0.00 56.93 56.22 1quw s PHE 78 Cb -0.16 -1.42 -0.00 0.00 0.51 0.00 0.00 43.02 41.94 1quw s PHE 78 CO 0.12 0.19 -0.01 1.17 0.70 0.00 0.00 175.22 177.39 1quw n LYS 79 N 1.66 0.02 -2.65 0.44 0.00 -1.21 -1.39 118.16 115.02 1quw n LYS 79 Ca -0.17 0.01 -0.23 0.00 0.00 0.00 0.00 58.31 57.92 1quw n LYS 79 Cb 0.52 -0.37 -0.00 0.00 0.00 0.00 0.00 35.03 35.18 1quw n LYS 79 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1quw n GLY 80 N 3.39 4.88 1.77 3.14 0.00 -1.25 -4.08 105.19 113.04 1quw n GLY 80 Ca -0.00 -2.41 -0.05 0.00 0.00 0.00 0.00 46.02 43.56 1quw n GLY 80 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1quw n GLY 81 N -0.30 0.38 3.51 -0.02 0.00 -0.12 -4.80 105.19 103.84 1quw n GLY 81 Ca 0.31 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1quw n GLY 81 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1quw s ARG 82 N -4.74 0.41 -0.23 1.61 3.00 -1.26 -5.00 118.95 112.74 1quw s ARG 82 Ca 0.06 1.00 -0.29 0.00 -1.00 0.00 0.00 55.73 55.50 1quw s ARG 82 Cb -0.03 0.56 -0.03 0.00 0.00 0.00 0.00 34.95 35.46 1quw s ARG 82 CO 0.18 -0.14 1.67 -1.25 0.00 0.00 0.00 175.30 175.76 1quw s PRO 83 N 2.51 3.71 -0.00 5.12 0.04 -1.26 -3.34 135.00 141.78 1quw s PRO 83 Ca -0.04 1.65 -0.25 0.00 0.04 0.00 0.00 61.00 62.40 1quw s PRO 83 Cb -0.08 -4.07 -0.18 0.00 0.04 0.00 0.00 34.50 30.21 1quw s PRO 83 CO -0.18 -1.40 1.26 0.28 0.04 0.00 0.00 177.00 177.00 1quw h VAL 84 N 6.27 1.03 -3.96 -0.36 2.07 -0.42 -3.46 116.25 117.42 1quw h VAL 84 Ca -0.34 -0.83 -0.12 0.00 0.82 0.00 0.00 66.70 66.23 1quw h VAL 84 Cb 1.16 1.53 -0.17 0.00 -1.52 0.00 0.00 31.29 32.30 1quw h VAL 84 CO 1.00 0.19 -0.57 -0.54 0.02 0.00 0.00 177.57 177.67 1quw s LYS 85 N -4.51 0.60 -0.14 1.57 1.02 -1.25 -5.01 119.74 112.01 1quw s LYS 85 Ca -0.15 -0.91 -0.04 0.00 0.02 0.00 0.00 55.97 54.90 1quw s LYS 85 Cb 0.02 0.23 0.05 0.00 -0.52 0.00 0.00 37.83 37.61 1quw s LYS 85 CO 0.60 -0.14 0.06 -1.14 -0.92 0.00 0.00 175.35 173.82 1quw s GLN 86 N -3.05 0.22 0.04 1.68 0.74 -1.26 -3.44 119.66 114.58 1quw s GLN 86 Ca -0.01 -0.06 -0.01 0.00 0.05 0.00 0.00 55.36 55.33 1quw s GLN 86 Cb 0.02 -1.59 -0.03 0.00 1.10 0.00 0.00 33.01 32.51 1quw s GLN 86 CO -0.07 -0.57 -0.02 -0.48 -0.55 0.00 0.00 175.29 173.61 1quw s LEU 87 N 2.07 2.32 0.00 3.68 0.05 -1.20 -5.05 118.68 120.54 1quw s LEU 87 Ca 0.02 -0.75 0.02 0.00 0.05 0.00 0.00 54.13 53.47 1quw s LEU 87 Cb -0.15 0.21 -0.01 0.00 -2.05 0.00 0.00 46.19 44.19 1quw s LEU 87 CO -0.07 -0.47 0.19 2.30 -0.55 0.00 0.00 176.35 177.74 1quw n ILE 88 N 0.76 0.00 -3.60 1.48 -0.00 -1.26 -2.03 119.36 114.71 1quw n ILE 88 Ca -0.18 -1.13 0.00 0.00 -0.00 0.00 0.00 62.75 61.44 1quw n ILE 88 Cb 0.58 0.61 -0.00 0.00 -0.00 0.00 0.00 39.64 40.83 1quw n ILE 88 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1quw n GLY 89 N -0.32 -2.00 3.70 3.28 0.00 -0.53 -4.65 105.19 104.66 1quw n GLY 89 Ca 0.03 -1.39 -0.42 0.00 0.00 0.00 0.00 46.02 44.23 1quw n GLY 89 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1quw s TYR 90 N -0.15 3.57 -0.04 1.61 5.04 -1.26 -4.76 117.35 121.35 1quw s TYR 90 Ca 0.00 1.62 -0.01 0.00 -2.44 0.00 0.00 57.07 56.24 1quw s TYR 90 Cb 0.00 -3.14 0.03 0.00 0.35 0.00 0.00 41.96 39.20 1quw s TYR 90 CO 0.00 -0.12 0.01 1.14 -1.34 0.00 0.00 175.55 175.24 1quw s GLN 91 N 1.55 0.32 1.22 4.97 -2.07 -1.26 -5.11 119.66 119.27 1quw s GLN 91 Ca 0.49 0.15 -0.18 0.00 -1.82 0.00 0.00 55.36 54.01 1quw s GLN 91 Cb -0.19 -0.64 0.25 0.00 -1.09 0.00 0.00 33.01 31.33 1quw s GLN 91 CO 0.22 -0.23 0.57 -2.30 -1.32 0.00 0.00 175.29 172.23 1quw n PRO 92 N 4.71 -2.88 -0.21 9.60 -0.02 -1.26 -4.54 135.00 140.39 1quw n PRO 92 Ca -0.15 -0.84 -0.07 0.00 -2.02 0.00 0.00 63.50 60.42 1quw n PRO 92 Cb 0.50 -1.84 0.03 0.00 -0.02 0.00 0.00 33.50 32.17 1quw n PRO 92 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1quw h LYS 93 N -2.79 0.84 -0.28 -0.52 3.64 -1.98 0.52 116.57 115.99 1quw h LYS 93 Ca -0.48 -0.10 -0.06 0.00 -1.27 0.00 0.00 60.65 58.74 1quw h LYS 93 Cb 1.24 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.88 1quw h LYS 93 CO 0.34 0.64 -0.08 0.93 -2.27 0.00 0.00 179.45 179.02 1quw h GLU 94 N 0.81 0.45 -0.32 1.90 4.39 -1.99 0.30 114.58 120.11 1quw h GLU 94 Ca 0.21 -0.11 -0.16 0.00 0.34 0.00 0.00 59.36 59.64 1quw h GLU 94 Cb 0.06 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 1quw h GLU 94 CO -0.03 0.54 -0.43 0.37 -1.16 0.00 0.00 179.01 178.29 1quw h GLN 95 N 0.42 0.81 -0.21 2.33 5.75 -1.77 -2.82 115.11 119.62 1quw h GLN 95 Ca 0.09 -0.45 -0.04 0.00 -0.15 0.00 0.00 58.65 58.10 1quw h GLN 95 Cb 0.40 0.02 -0.01 0.00 1.07 0.00 0.00 27.48 28.97 1quw h GLN 95 CO 0.02 1.08 -0.04 -0.07 -2.65 0.00 0.00 178.83 177.17 1quw h LEU 96 N 0.65 0.40 -0.57 -2.39 3.38 -0.34 -3.03 115.31 113.41 1quw h LEU 96 Ca 0.04 -0.36 -0.13 0.00 0.09 0.00 0.00 57.88 57.53 1quw h LEU 96 Cb 1.01 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.63 1quw h LEU 96 CO 0.10 0.66 -0.22 -0.33 0.09 0.00 0.00 178.44 178.74 1quw h GLU 97 N 0.12 0.91 0.01 1.13 5.08 -0.42 0.26 114.58 121.67 1quw h GLU 97 Ca 0.05 -0.38 0.00 0.00 -1.00 0.00 0.00 59.36 58.03 1quw h GLU 97 Cb 0.49 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.70 1quw h GLU 97 CO 0.02 1.04 -0.02 0.00 -1.00 0.00 0.00 179.01 179.05 1quw h ALA 98 N 0.95 -0.03 0.12 3.43 0.00 -1.61 -0.87 119.26 121.26 1quw h ALA 98 Ca 0.10 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1quw h ALA 98 Cb 0.78 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1quw h ALA 98 CO 0.06 -0.52 -0.06 0.37 0.00 0.00 0.00 179.25 179.10 1quw h GLN 99 N -0.04 -0.17 0.00 0.00 5.75 -1.36 -3.22 115.11 116.07 1quw h GLN 99 Ca 0.00 0.01 -0.17 0.00 -0.15 0.00 0.00 58.65 58.34 1quw h GLN 99 Cb 0.05 0.04 -0.03 0.00 1.07 0.00 0.00 27.48 28.61 1quw h GLN 99 CO -0.01 -0.11 -0.92 -0.07 -2.65 0.00 0.00 178.83 175.06 1quw h LEU 100 N -0.17 0.00 -1.84 -2.39 3.38 -0.45 -2.99 115.31 110.85 1quw h LEU 100 Ca -0.01 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 1quw h LEU 100 Cb 0.14 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 1quw h LEU 100 CO 0.02 0.77 -0.13 0.00 0.09 0.00 0.00 178.44 179.19 1quw h ALA 101 N 1.23 1.59 -0.02 1.53 0.00 -1.24 -2.28 119.26 120.07 1quw h ALA 101 Ca -0.05 -0.12 -0.23 0.00 0.00 0.00 0.00 54.91 54.51 1quw h ALA 101 Cb 1.63 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 19.41 1quw h ALA 101 CO 0.09 0.16 -0.93 0.22 0.00 0.00 0.00 179.25 178.80 1quw h ASP 102 N 0.00 0.62 1.20 0.00 3.58 -1.53 -2.97 116.42 117.31 1quw h ASP 102 Ca -0.00 -0.48 -0.10 0.00 0.42 0.00 0.00 57.03 56.86 1quw h ASP 102 Cb 0.27 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 41.11 1quw h ASP 102 CO 0.02 1.27 -0.50 -0.37 -2.88 0.00 0.00 179.24 176.79 1quw h VAL 103 N 0.28 0.94 0.00 2.25 -1.51 -1.55 -3.19 116.25 113.48 1quw h VAL 103 Ca -0.08 -2.05 -0.09 0.00 -1.23 0.00 0.00 66.70 63.24 1quw h VAL 103 Cb 1.56 2.27 -0.01 0.00 -2.13 0.00 0.00 31.29 32.98 1quw h VAL 103 CO 0.17 0.49 -0.45 -0.07 -1.23 0.00 0.00 177.57 176.47 1quw h LEU 104 N 0.00 0.00 0.00 4.19 3.38 -1.40 -3.51 115.31 117.97 1quw h LEU 104 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1quw h LEU 104 Cb 1.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.98 1quw h LEU 104 CO 0.06 0.45 0.00 0.00 0.09 0.00 0.00 178.44 179.05