#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 0.97 0.45 0.00 -4.23 -1.26 -4.73 115.64 106.84 1quw s THR 2 Ca 0.00 -1.66 -0.02 0.00 -1.18 0.00 0.00 61.69 58.83 1quw s THR 2 Cb 0.00 -1.39 -0.02 0.00 1.34 0.00 0.00 72.50 72.43 1quw s THR 2 CO 0.00 -0.56 0.70 -0.32 -0.54 0.00 0.00 174.62 173.90 1quw s MET 3 N -2.82 3.30 -0.12 3.99 -2.45 -0.39 -4.98 119.30 115.83 1quw s MET 3 Ca 0.06 -0.19 -0.01 0.00 -1.25 0.00 0.00 55.69 54.30 1quw s MET 3 Cb -0.03 -2.50 0.03 0.00 1.25 0.00 0.00 34.83 33.59 1quw s MET 3 CO 0.00 -0.19 -0.04 0.99 1.05 0.00 0.00 175.02 176.83 1quw s THR 4 N -2.60 0.84 0.49 10.11 2.01 -1.26 -1.72 115.64 123.52 1quw s THR 4 Ca 0.46 -0.30 0.08 0.00 0.31 0.00 0.00 61.69 62.24 1quw s THR 4 Cb -0.10 -0.98 0.03 0.00 0.01 0.00 0.00 72.50 71.46 1quw s THR 4 CO 0.40 0.23 0.53 -0.76 -0.69 0.00 0.00 174.62 174.33 1quw s LEU 5 N 1.77 3.17 0.23 4.42 1.02 0.72 -4.86 118.68 125.16 1quw s LEU 5 Ca 0.03 -0.86 -0.21 0.00 0.02 0.00 0.00 54.13 53.11 1quw s LEU 5 Cb -0.14 -1.80 0.04 0.00 0.02 0.00 0.00 46.19 44.31 1quw s LEU 5 CO -0.07 -0.97 0.67 0.28 0.02 0.00 0.00 176.35 176.27 1quw s THR 6 N -2.59 0.00 0.25 5.49 -1.32 -1.26 -4.46 115.64 111.76 1quw s THR 6 Ca 0.49 -0.66 -0.02 0.00 -1.21 0.00 0.00 61.69 60.29 1quw s THR 6 Cb -0.05 -1.65 0.37 0.00 -1.51 0.00 0.00 72.50 69.67 1quw s THR 6 CO 0.30 -0.01 1.32 -0.90 -2.21 0.00 0.00 174.62 173.12 1quw n ASP 7 N -0.43 -0.19 -0.07 8.08 5.75 -1.26 0.15 116.55 128.58 1quw n ASP 7 Ca -0.09 1.45 -0.17 0.00 -0.01 0.00 0.00 54.79 55.97 1quw n ASP 7 Cb 0.61 -0.48 -0.13 0.00 -1.03 0.00 0.00 41.12 40.09 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 1.69 0.08 -0.04 2.12 0.00 -2.02 -3.30 119.26 117.80 1quw h ALA 8 Ca 0.46 -0.75 -0.10 0.00 0.00 0.00 0.00 54.91 54.52 1quw h ALA 8 Cb 0.85 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1quw h ALA 8 CO -0.83 0.28 -0.46 -0.97 0.00 0.00 0.00 179.25 177.27 1quw h ASN 9 N -0.91 0.09 -0.55 0.00 -1.24 -1.75 -3.04 115.58 108.17 1quw h ASN 9 Ca -0.13 -0.04 0.11 0.00 0.71 0.00 0.00 56.30 56.95 1quw h ASN 9 Cb 1.18 -0.02 -0.09 0.00 0.73 0.00 0.00 38.32 40.12 1quw h ASN 9 CO -0.05 0.54 0.04 0.15 -1.29 0.00 0.00 177.43 176.82 1quw h PHE 10 N 0.07 0.03 -0.31 0.67 3.57 0.12 0.28 116.94 121.37 1quw h PHE 10 Ca 0.00 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.53 1quw h PHE 10 Cb 0.84 0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.64 1quw h PHE 10 CO 0.01 -0.10 0.16 1.96 -2.23 0.00 0.00 178.31 178.10 1quw h GLN 11 N 0.16 0.44 0.00 1.11 4.20 -1.61 -2.66 115.11 116.74 1quw h GLN 11 Ca 0.29 -0.06 -0.10 0.00 0.06 0.00 0.00 58.65 58.84 1quw h GLN 11 Cb 0.44 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.12 1quw h GLN 11 CO -0.44 0.39 -0.49 0.37 -0.67 0.00 0.00 178.83 177.99 1quw h GLN 12 N 0.37 0.00 -0.43 1.46 4.15 -1.47 -3.16 115.11 116.03 1quw h GLN 12 Ca 0.11 0.00 -0.05 0.00 0.77 0.00 0.00 58.65 59.48 1quw h GLN 12 Cb 0.09 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.76 1quw h GLN 12 CO -0.02 0.49 0.07 0.00 -1.93 0.00 0.00 178.83 177.44 1quw h ALA 13 N 1.51 0.57 0.00 3.38 0.00 -0.14 -3.16 119.26 121.42 1quw h ALA 13 Ca -0.00 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 1quw h ALA 13 Cb 0.91 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 1quw h ALA 13 CO 0.06 0.28 -0.12 -0.84 0.00 0.00 0.00 179.25 178.64 1quw h ILE 14 N 0.56 0.21 0.00 0.00 3.07 -1.51 -3.28 117.51 116.57 1quw h ILE 14 Ca 0.13 -1.21 0.00 0.00 1.55 0.00 0.00 64.86 65.32 1quw h ILE 14 Cb 0.38 2.03 0.00 0.00 -0.27 0.00 0.00 36.82 38.96 1quw h ILE 14 CO 0.01 0.11 0.00 0.00 -1.05 0.00 0.00 178.15 177.22 1quw n GLN 15 N -3.14 0.06 0.00 0.16 6.02 -1.19 -1.06 117.38 118.23 1quw n GLN 15 Ca 0.03 0.16 0.00 0.00 -0.01 0.00 0.00 57.00 57.18 1quw n GLN 15 Cb 0.55 -1.59 0.00 0.00 1.02 0.00 0.00 30.24 30.22 1quw n GLN 15 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1quw n GLY 16 N 0.86 -2.54 1.62 1.08 0.00 -1.24 -4.61 105.19 100.36 1quw n GLY 16 Ca 0.05 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.10 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 -0.18 -2.29 -4.73 1.61 2.03 -1.26 -4.88 116.55 106.85 1quw n ASP 17 Ca 0.00 0.58 -0.31 0.00 0.52 0.00 0.00 54.79 55.58 1quw n ASP 17 Cb 0.00 2.32 0.12 0.00 -0.72 0.00 0.00 41.12 42.84 1quw n ASP 17 CO 0.00 0.00 0.00 -1.59 -1.92 0.00 0.00 177.20 173.69 1quw s LYS 18 N -1.68 1.70 0.20 -0.67 -2.85 -1.26 -4.25 119.74 110.93 1quw s LYS 18 Ca 0.00 1.29 -0.33 0.00 -1.00 0.00 0.00 55.97 55.93 1quw s LYS 18 Cb 0.00 -1.82 -0.13 0.00 -2.06 0.00 0.00 37.83 33.81 1quw s LYS 18 CO 0.00 -2.07 1.58 -2.30 0.10 0.00 0.00 175.35 172.66 1quw n PRO 19 N -3.83 2.32 -3.97 1.78 -0.02 -1.26 -4.70 135.00 125.32 1quw n PRO 19 Ca 0.10 0.83 -0.31 0.00 -2.02 0.00 0.00 63.50 62.11 1quw n PRO 19 Cb 0.53 -2.60 -0.16 0.00 -0.02 0.00 0.00 33.50 31.26 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 0.66 1.63 -0.50 -1.45 1.01 0.47 -3.41 120.40 118.81 1quw s VAL 20 Ca 0.74 -1.22 -0.25 0.00 0.00 0.00 0.00 61.98 61.25 1quw s VAL 20 Cb -0.62 -1.83 0.03 0.00 0.00 0.00 0.00 36.38 33.96 1quw s VAL 20 CO 0.40 -0.03 0.95 -0.22 0.00 0.00 0.00 175.10 176.20 1quw s LEU 21 N 1.36 4.01 0.17 3.92 2.96 -0.56 -1.15 118.68 129.39 1quw s LEU 21 Ca -0.05 -0.07 -0.27 0.00 -0.22 0.00 0.00 54.13 53.52 1quw s LEU 21 Cb -0.18 -3.05 -0.08 0.00 0.50 0.00 0.00 46.19 43.38 1quw s LEU 21 CO -0.06 -1.15 0.85 -0.69 -1.32 0.00 0.00 176.35 173.98 1quw s VAL 22 N 3.90 4.33 -0.35 1.68 1.01 0.34 -0.40 120.40 130.91 1quw s VAL 22 Ca 0.35 1.86 -0.05 0.00 0.00 0.00 0.00 61.98 64.14 1quw s VAL 22 Cb -0.11 -4.22 0.06 0.00 0.00 0.00 0.00 36.38 32.11 1quw s VAL 22 CO 0.23 0.47 0.11 -1.81 0.00 0.00 0.00 175.10 174.11 1quw s ASP 23 N -0.89 5.21 -0.19 3.32 1.01 -0.00 -1.25 116.67 123.88 1quw s ASP 23 Ca 0.39 -1.42 -0.26 0.00 0.71 0.00 0.00 52.55 51.97 1quw s ASP 23 Cb -0.24 -1.83 -0.01 0.00 1.01 0.00 0.00 42.92 41.86 1quw s ASP 23 CO 0.28 -0.38 0.86 -0.36 0.21 0.00 0.00 175.17 175.78 1quw s PHE 24 N 1.30 3.40 0.32 4.23 0.40 0.53 -2.21 117.98 125.96 1quw s PHE 24 Ca -0.00 1.27 -0.08 0.00 -0.60 0.00 0.00 56.93 57.52 1quw s PHE 24 Cb -0.21 -3.05 0.01 0.00 0.51 0.00 0.00 43.02 40.28 1quw s PHE 24 CO 0.00 -0.29 0.54 1.67 0.70 0.00 0.00 175.22 177.84 1quw s TRP 25 N 2.37 0.67 0.06 0.36 1.48 -1.03 -1.83 118.94 121.01 1quw s TRP 25 Ca 0.39 -1.03 0.00 0.00 -1.06 0.00 0.00 56.10 54.40 1quw s TRP 25 Cb -0.16 0.18 -0.04 0.00 -1.16 0.00 0.00 33.47 32.30 1quw s TRP 25 CO 0.11 -1.18 -0.04 0.00 -4.06 0.00 0.00 176.95 171.77 1quw s ALA 26 N -3.18 0.57 0.26 2.67 0.00 -1.26 -2.07 121.76 118.74 1quw s ALA 26 Ca 0.25 -1.10 0.11 0.00 0.00 0.00 0.00 51.96 51.22 1quw s ALA 26 Cb -0.01 0.20 0.38 0.00 0.00 0.00 0.00 23.12 23.69 1quw s ALA 26 CO 0.15 -0.27 1.62 0.00 0.00 0.00 0.00 175.76 177.26 1quw h ALA 27 N 3.47 0.97 -0.00 0.00 0.00 -2.01 -2.37 119.26 119.31 1quw h ALA 27 Ca -0.34 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.03 1quw h ALA 27 Cb 1.16 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1quw h ALA 27 CO 0.59 0.75 -0.03 -2.67 0.00 0.00 0.00 179.25 177.89 1quw n TRP 28 N -3.76 0.00 -2.20 0.00 4.27 -1.26 -4.91 117.44 109.57 1quw n TRP 28 Ca -0.01 0.00 -0.40 0.00 -3.89 0.00 0.00 57.50 53.20 1quw n TRP 28 Cb 0.61 -0.17 -0.02 0.00 -1.36 0.00 0.00 31.31 30.37 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 3.28 0.00 2.00 0.00 0.00 -1.91 -3.39 103.07 103.06 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 0.65 0.00 0.00 -1.55 0.00 0.00 0.00 176.54 175.64 1quw n PRO 31 N -4.55 0.06 0.19 4.80 -0.04 -1.26 -2.00 135.00 132.20 1quw n PRO 31 Ca -0.03 0.22 0.05 0.00 -0.04 0.00 0.00 63.50 63.69 1quw n PRO 31 Cb 0.13 -1.60 0.35 0.00 -0.04 0.00 0.00 33.50 32.34 1quw n PRO 31 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1quw h ARG 33 N 0.00 0.00 -0.45 0.00 3.08 -1.59 -2.85 114.38 112.58 1quw h ARG 33 Ca -0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 1quw h ARG 33 Cb 0.84 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.87 1quw h ARG 33 CO 0.05 0.18 0.25 0.52 -1.07 0.00 0.00 179.97 179.89 1quw h MET 34 N 0.00 0.62 -0.00 0.04 2.86 -1.64 -2.36 114.93 114.46 1quw h MET 34 Ca -0.00 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.57 1quw h MET 34 Cb 0.60 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 32.14 1quw h MET 34 CO 0.02 0.49 -0.01 0.00 1.06 0.00 0.00 176.91 178.48 1quw n MET 35 N -4.70 0.87 -0.01 1.72 0.00 -1.11 -4.28 117.12 109.62 1quw n MET 35 Ca 0.01 -0.07 -0.14 0.00 0.00 0.00 0.00 57.70 57.50 1quw n MET 35 Cb 0.08 -1.50 -0.09 0.00 0.00 0.00 0.00 33.22 31.72 1quw n MET 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1quw h ALA 36 N 3.85 -0.79 0.00 3.17 0.00 -1.20 0.39 119.26 124.68 1quw h ALA 36 Ca 0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1quw h ALA 36 Cb 0.13 0.94 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 1quw h ALA 36 CO 0.00 -1.04 -0.04 -1.00 0.00 0.00 0.00 179.25 177.17 1quw h PRO 37 N -0.55 0.00 -0.14 0.00 0.13 -1.78 -3.00 132.00 126.65 1quw h PRO 37 Ca 0.05 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.13 1quw h PRO 37 Cb 0.67 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.80 1quw h PRO 37 CO -0.43 0.04 -0.11 0.28 -0.23 0.00 0.00 178.00 177.55 1quw h VAL 38 N 0.00 1.34 -0.56 1.56 2.07 -1.39 -2.63 116.25 116.65 1quw h VAL 38 Ca -0.00 -1.22 -0.06 0.00 0.82 0.00 0.00 66.70 66.23 1quw h VAL 38 Cb 0.61 1.83 -0.02 0.00 -1.52 0.00 0.00 31.29 32.18 1quw h VAL 38 CO 0.01 0.36 0.10 -0.07 0.02 0.00 0.00 177.57 177.98 1quw h LEU 39 N -0.03 0.83 -0.63 2.57 3.38 -0.21 0.30 115.31 121.53 1quw h LEU 39 Ca 0.03 -0.17 -0.04 0.00 0.09 0.00 0.00 57.88 57.79 1quw h LEU 39 Cb 0.62 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.12 1quw h LEU 39 CO 0.03 0.83 0.23 -0.33 0.09 0.00 0.00 178.44 179.30 1quw h GLU 40 N 0.84 0.95 0.00 1.13 4.39 -1.55 -0.15 114.58 120.18 1quw h GLU 40 Ca 0.18 -0.18 -0.10 0.00 0.34 0.00 0.00 59.36 59.59 1quw h GLU 40 Cb 0.36 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 28.85 1quw h GLU 40 CO 0.01 0.81 -0.48 0.93 -1.16 0.00 0.00 179.01 179.12 1quw h GLU 41 N 0.88 0.00 -0.18 2.33 4.39 -1.07 -2.93 114.58 118.00 1quw h GLU 41 Ca 0.21 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.78 1quw h GLU 41 Cb 0.23 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.88 1quw h GLU 41 CO -0.01 0.48 -0.36 0.35 -1.16 0.00 0.00 179.01 178.30 1quw h PHE 42 N 0.00 0.72 0.00 4.33 3.57 0.21 -1.23 116.94 124.53 1quw h PHE 42 Ca -0.00 -0.26 -0.07 0.00 3.53 0.00 0.00 57.97 61.16 1quw h PHE 42 Cb 0.91 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.51 1quw h PHE 42 CO 0.00 1.00 -0.35 0.00 -2.23 0.00 0.00 178.31 176.73 1quw h ALA 43 N 0.59 1.24 0.00 2.41 0.00 -1.07 -2.26 119.26 120.16 1quw h ALA 43 Ca 0.01 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1quw h ALA 43 Cb 0.96 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1quw h ALA 43 CO 0.08 0.44 -0.33 0.93 0.00 0.00 0.00 179.25 180.37 1quw h GLU 44 N 0.00 0.00 0.12 0.00 4.39 -1.43 -1.57 114.58 116.09 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 0.69 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.34 1quw h GLU 44 CO 0.05 0.00 -0.06 0.00 -1.16 0.00 0.00 179.01 177.84 1quw h ALA 45 N 2.43 -0.17 0.00 3.43 0.00 -0.64 -3.39 119.26 120.91 1quw h ALA 45 Ca 0.00 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.71 1quw h ALA 45 Cb 0.79 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 1quw h ALA 45 CO 0.00 -0.18 -0.23 0.45 0.00 0.00 0.00 179.25 179.29 1quw h HIS 46 N -0.99 0.00 0.00 0.00 3.86 -1.64 -3.47 115.15 112.91 1quw h HIS 46 Ca -0.02 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.19 1quw h HIS 46 Cb 0.37 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.84 1quw h HIS 46 CO 0.06 0.98 0.00 0.00 0.86 0.00 0.00 177.93 179.84 1quw n ALA 47 N -2.79 0.00 0.47 2.45 0.00 -0.59 -3.93 120.51 116.13 1quw n ALA 47 Ca -0.13 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.26 1quw n ALA 47 Cb 0.47 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.96 1quw n ALA 47 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1quw n ASP 48 N 3.22 3.33 0.00 0.00 5.75 -1.26 -3.80 116.55 123.79 1quw n ASP 48 Ca 0.00 -2.34 0.00 0.00 -0.01 0.00 0.00 54.79 52.44 1quw n ASP 48 Cb 0.00 -0.60 0.00 0.00 -1.03 0.00 0.00 41.12 39.49 1quw n ASP 48 CO 0.00 0.00 0.00 1.17 -0.11 0.00 0.00 177.20 178.26 1quw n LYS 49 N 0.23 0.00 -4.16 0.11 3.00 -1.25 -5.09 118.16 111.00 1quw n LYS 49 Ca 0.12 0.00 -0.32 0.00 -0.00 0.00 0.00 58.31 58.10 1quw n LYS 49 Cb 0.72 -0.32 -0.08 0.00 0.00 0.00 0.00 35.03 35.35 1quw n LYS 49 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.40 177.54 1quw s VAL 50 N -1.54 4.48 -0.59 3.15 -7.23 -1.25 -4.49 120.40 112.93 1quw s VAL 50 Ca 0.00 -0.54 -0.02 0.00 -1.81 0.00 0.00 61.98 59.61 1quw s VAL 50 Cb 0.00 -3.04 0.15 0.00 0.56 0.00 0.00 36.38 34.05 1quw s VAL 50 CO 0.00 0.33 0.40 -0.89 -0.31 0.00 0.00 175.10 174.62 1quw s THR 51 N -1.18 3.58 -0.80 5.32 2.01 -1.22 -4.66 115.64 118.68 1quw s THR 51 Ca 0.22 -2.86 -0.26 0.00 0.31 0.00 0.00 61.69 59.11 1quw s THR 51 Cb -0.12 -3.36 0.02 0.00 0.01 0.00 0.00 72.50 69.06 1quw s THR 51 CO 0.14 -0.85 1.43 -0.69 -0.69 0.00 0.00 174.62 173.96 1quw s VAL 52 N 0.09 3.71 0.44 3.82 1.01 -1.26 -1.50 120.40 126.71 1quw s VAL 52 Ca 0.16 0.06 0.05 0.00 0.00 0.00 0.00 61.98 62.24 1quw s VAL 52 Cb -0.21 -4.79 0.05 0.00 0.00 0.00 0.00 36.38 31.43 1quw s VAL 52 CO -0.03 -1.72 0.41 0.00 0.00 0.00 0.00 175.10 173.76 1quw n ALA 53 N 9.90 0.75 -3.70 5.51 0.00 0.47 -1.26 120.51 132.17 1quw n ALA 53 Ca 0.14 -1.71 -0.21 0.00 0.00 0.00 0.00 53.44 51.67 1quw n ALA 53 Cb 0.50 0.64 -0.18 0.00 0.00 0.00 0.00 19.45 20.41 1quw n ALA 53 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1quw s LYS 54 N -3.85 0.16 -0.13 0.00 -0.14 -0.70 -0.82 119.74 114.26 1quw s LYS 54 Ca 0.31 0.29 0.02 0.00 -1.36 0.00 0.00 55.97 55.22 1quw s LYS 54 Cb -0.02 -0.67 0.01 0.00 -1.68 0.00 0.00 37.83 35.47 1quw s LYS 54 CO 0.20 -0.32 -0.18 -1.17 -0.76 0.00 0.00 175.35 173.12 1quw s LEU 55 N 2.10 1.89 -0.21 3.17 1.98 -0.94 -0.20 118.68 126.48 1quw s LEU 55 Ca 0.05 -0.51 -0.27 0.00 -2.89 0.00 0.00 54.13 50.51 1quw s LEU 55 Cb -0.12 -1.25 -0.00 0.00 0.66 0.00 0.00 46.19 45.47 1quw s LEU 55 CO -0.04 0.03 0.91 0.20 -1.89 0.00 0.00 176.35 175.57 1quw s ASN 56 N 0.98 6.99 0.51 3.68 -0.87 -1.26 -2.47 114.94 122.50 1quw s ASN 56 Ca -0.05 1.23 0.28 0.00 -1.57 0.00 0.00 52.86 52.75 1quw s ASN 56 Cb -0.15 -2.48 1.30 0.00 -0.02 0.00 0.00 41.25 39.90 1quw s ASN 56 CO -0.03 -0.53 1.99 -0.37 -2.57 0.00 0.00 177.10 175.59 1quw h VAL 57 N 5.34 0.44 0.07 1.60 -1.51 -1.66 -0.92 116.25 119.60 1quw h VAL 57 Ca -0.24 -0.72 -0.13 0.00 -1.23 0.00 0.00 66.70 64.38 1quw h VAL 57 Cb 1.10 1.51 0.00 0.00 -2.13 0.00 0.00 31.29 31.77 1quw h VAL 57 CO 0.89 0.13 -0.64 -0.78 -1.23 0.00 0.00 177.57 175.95 1quw h ASP 58 N 0.00 0.22 -0.08 4.19 3.58 -1.91 -3.38 116.42 119.05 1quw h ASP 58 Ca -0.00 -0.91 -0.21 0.00 0.42 0.00 0.00 57.03 56.33 1quw h ASP 58 Cb 0.50 -0.07 0.01 0.00 1.72 0.00 0.00 39.33 41.49 1quw h ASP 58 CO 0.02 1.28 -0.77 -0.08 -2.88 0.00 0.00 179.24 176.81 1quw h GLU 59 N -0.68 0.66 -4.76 0.28 4.81 -1.93 -3.43 114.58 109.52 1quw h GLU 59 Ca -0.13 -0.61 -0.68 0.00 -0.13 0.00 0.00 59.36 57.81 1quw h GLU 59 Cb 1.37 0.15 -0.23 0.00 0.63 0.00 0.00 28.75 30.67 1quw h GLU 59 CO 0.04 1.21 -0.55 -0.80 -0.73 0.00 0.00 179.01 178.18 1quw s ASN 60 N -7.02 5.58 -0.00 1.04 0.01 -0.35 -4.96 114.94 109.24 1quw s ASN 60 Ca -0.11 -0.56 0.22 0.00 -0.71 0.00 0.00 52.86 51.70 1quw s ASN 60 Cb 0.07 -2.01 -0.24 0.00 0.41 0.00 0.00 41.25 39.48 1quw s ASN 60 CO 0.88 -0.21 0.70 -0.81 -1.51 0.00 0.00 177.10 176.15 1quw n PRO 61 N 4.99 0.42 0.09 -0.60 -0.04 -1.26 -4.31 135.00 134.28 1quw n PRO 61 Ca -0.14 -0.10 -0.21 0.00 -0.04 0.00 0.00 63.50 63.01 1quw n PRO 61 Cb 0.49 -1.54 -0.15 0.00 -0.04 0.00 0.00 33.50 32.26 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 0.38 0.00 0.54 -0.00 -1.96 -3.08 114.58 110.47 1quw h GLU 62 Ca 0.00 -0.65 -0.24 0.00 -0.00 0.00 0.00 59.36 58.47 1quw h GLU 62 Cb 0.82 0.24 -0.04 0.00 -0.00 0.00 0.00 28.75 29.77 1quw h GLU 62 CO 0.00 1.28 -1.25 0.00 -0.00 0.00 0.00 179.01 179.05 1quw h THR 63 N 0.10 1.41 -0.18 -1.06 1.03 -1.93 -2.45 112.91 109.83 1quw h THR 63 Ca -0.28 -3.17 -0.11 0.00 -0.01 0.00 0.00 66.41 62.83 1quw h THR 63 Cb 2.09 2.70 -0.01 0.00 -1.07 0.00 0.00 68.15 71.85 1quw h THR 63 CO 0.20 0.80 -0.37 0.00 -0.01 0.00 0.00 175.52 176.14 1quw h THR 64 N 0.00 1.30 0.01 0.00 1.03 -1.75 -2.14 112.91 111.35 1quw h THR 64 Ca -0.11 -1.47 -0.22 0.00 -0.01 0.00 0.00 66.41 64.61 1quw h THR 64 Cb 1.85 1.56 -0.03 0.00 -1.07 0.00 0.00 68.15 70.47 1quw h THR 64 CO 0.11 0.45 -1.03 -1.28 -0.01 0.00 0.00 175.52 173.76 1quw h SER 65 N 0.33 0.02 -0.00 0.00 0.87 -1.61 -1.53 113.55 111.63 1quw h SER 65 Ca 0.04 -0.02 -0.00 0.00 -1.23 0.00 0.00 61.79 60.57 1quw h SER 65 Cb 0.81 -0.01 -0.00 0.00 -0.44 0.00 0.00 62.40 62.76 1quw h SER 65 CO 0.06 1.02 0.00 -0.61 -0.53 0.00 0.00 176.83 176.77 1quw h GLN 66 N 0.00 0.00 0.10 2.24 4.15 -1.26 -3.25 115.11 117.09 1quw h GLN 66 Ca -0.02 -0.00 -0.27 0.00 0.77 0.00 0.00 58.65 59.13 1quw h GLN 66 Cb 1.79 -0.00 0.01 0.00 0.21 0.00 0.00 27.48 29.49 1quw h GLN 66 CO 0.13 0.28 -1.16 0.74 -1.93 0.00 0.00 178.83 176.88 1quw h PHE 67 N -0.27 0.64 -1.47 3.99 0.04 -1.51 -3.49 116.94 114.86 1quw h PHE 67 Ca 0.00 -0.42 0.00 0.00 2.80 0.00 0.00 57.97 60.36 1quw h PHE 67 Cb 0.27 -0.04 0.00 0.00 2.20 0.00 0.00 35.95 38.38 1quw h PHE 67 CO 0.02 1.28 0.00 0.41 -0.60 0.00 0.00 178.31 179.42 1quw n GLY 68 N 1.33 0.11 3.56 -1.45 0.00 -0.61 -5.00 105.19 103.14 1quw n GLY 68 Ca -0.09 -0.42 -0.43 0.00 0.00 0.00 0.00 46.02 45.08 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 -1.20 4.47 0.04 -0.61 -1.09 -1.00 -4.90 121.20 116.91 1quw s ILE 69 Ca 0.00 0.73 -0.01 0.00 -2.23 0.00 0.00 60.65 59.13 1quw s ILE 69 Cb 0.00 -4.44 -0.27 0.00 -1.58 0.00 0.00 42.46 36.17 1quw s ILE 69 CO 0.00 -0.85 0.99 0.24 -1.23 0.00 0.00 174.94 174.09 1quw h MET 70 N 9.09 0.21 -1.72 2.79 2.86 -1.94 -3.46 114.93 122.76 1quw h MET 70 Ca -0.24 -0.36 0.06 0.00 -2.06 0.00 0.00 59.70 57.10 1quw h MET 70 Cb 1.08 0.13 -0.21 0.00 0.06 0.00 0.00 31.60 32.66 1quw h MET 70 CO 1.03 1.10 -0.20 0.45 1.06 0.00 0.00 176.91 180.35 1quw s SER 71 N -6.95 -1.12 0.39 1.22 0.15 -1.26 -5.14 113.70 100.99 1quw s SER 71 Ca -0.06 1.28 -0.23 0.00 0.70 0.00 0.00 55.95 57.64 1quw s SER 71 Cb 0.07 2.16 -0.10 0.00 -1.71 0.00 0.00 66.02 66.44 1quw s SER 71 CO 0.86 -0.24 0.96 0.27 1.20 0.00 0.00 173.24 176.29 1quw s ILE 72 N 2.86 4.27 -0.07 6.45 -4.36 -1.26 -3.56 121.20 125.52 1quw s ILE 72 Ca 0.03 1.58 -0.28 0.00 -0.26 0.00 0.00 60.65 61.72 1quw s ILE 72 Cb -0.13 -3.74 -0.02 0.00 1.25 0.00 0.00 42.46 39.82 1quw s ILE 72 CO -0.19 -0.14 0.92 -2.16 0.24 0.00 0.00 174.94 173.61 1quw s PRO 73 N -2.76 4.45 -0.29 0.37 0.04 -1.26 -4.75 135.00 130.80 1quw s PRO 73 Ca 0.58 1.27 -0.07 0.00 0.04 0.00 0.00 61.00 62.82 1quw s PRO 73 Cb -0.13 -3.50 0.00 0.00 0.04 0.00 0.00 34.50 30.90 1quw s PRO 73 CO 0.18 -0.17 0.08 0.99 0.04 0.00 0.00 177.00 178.12 1quw s THR 74 N 1.50 4.06 -0.20 1.26 2.01 -0.76 -1.11 115.64 122.40 1quw s THR 74 Ca 0.46 -0.58 -0.07 0.00 0.31 0.00 0.00 61.69 61.81 1quw s THR 74 Cb -0.19 -3.05 -0.04 0.00 0.01 0.00 0.00 72.50 69.23 1quw s THR 74 CO 0.21 0.13 0.05 -0.76 -0.69 0.00 0.00 174.62 173.56 1quw s LEU 75 N 1.53 3.63 -0.06 4.42 1.43 -0.46 -0.35 118.68 128.82 1quw s LEU 75 Ca 0.03 -0.03 0.02 0.00 -1.03 0.00 0.00 54.13 53.13 1quw s LEU 75 Cb -0.17 -1.93 0.01 0.00 0.03 0.00 0.00 46.19 44.14 1quw s LEU 75 CO 0.03 0.11 -0.11 -0.63 0.23 0.00 0.00 176.35 175.98 1quw s ILE 76 N 0.72 1.07 -0.22 -0.59 1.01 -0.38 -2.48 121.20 120.32 1quw s ILE 76 Ca 0.03 -0.44 -0.14 0.00 0.00 0.00 0.00 60.65 60.10 1quw s ILE 76 Cb -0.13 -0.99 -0.04 0.00 0.01 0.00 0.00 42.46 41.30 1quw s ILE 76 CO 0.02 0.34 0.32 -0.22 0.00 0.00 0.00 174.94 175.40 1quw s LEU 77 N 0.72 4.13 0.11 2.97 1.98 -1.18 -0.50 118.68 126.90 1quw s LEU 77 Ca -0.14 0.36 0.07 0.00 -2.89 0.00 0.00 54.13 51.53 1quw s LEU 77 Cb -0.16 -2.38 -0.04 0.00 0.66 0.00 0.00 46.19 44.28 1quw s LEU 77 CO 0.03 -0.05 -0.08 -0.36 -1.89 0.00 0.00 176.35 174.00 1quw s PHE 78 N 1.34 2.79 0.00 5.38 0.40 -0.30 0.80 117.98 128.39 1quw s PHE 78 Ca 0.15 -0.13 0.00 0.00 -0.60 0.00 0.00 56.93 56.35 1quw s PHE 78 Cb -0.15 -1.45 0.00 0.00 0.51 0.00 0.00 43.02 41.94 1quw s PHE 78 CO 0.07 0.44 0.00 1.63 0.70 0.00 0.00 175.22 178.07 1quw n LYS 79 N 0.62 0.00 -2.36 0.44 5.02 -1.14 -0.39 118.16 120.35 1quw n LYS 79 Ca -0.13 0.00 -0.32 0.00 -2.02 0.00 0.00 58.31 55.85 1quw n LYS 79 Cb 0.52 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.54 1quw n LYS 79 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1quw n GLY 80 N 3.12 5.84 0.77 0.72 0.00 -1.25 -4.13 105.19 110.25 1quw n GLY 80 Ca 0.00 -2.68 0.00 0.00 0.00 0.00 0.00 46.02 43.34 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 -0.46 1.08 3.51 -0.02 0.00 -0.23 -4.63 105.19 104.45 1quw n GLY 81 Ca 0.43 -0.34 -0.07 0.00 0.00 0.00 0.00 46.02 46.04 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 -2.31 0.56 -0.16 1.61 3.00 -1.26 -4.98 118.95 115.40 1quw s ARG 82 Ca 0.00 1.16 -0.29 0.00 -1.00 0.00 0.00 55.73 55.60 1quw s ARG 82 Cb 0.00 0.30 -0.02 0.00 0.00 0.00 0.00 34.95 35.23 1quw s ARG 82 CO 0.00 -0.18 1.33 -1.25 0.00 0.00 0.00 175.30 175.20 1quw s PRO 83 N 2.00 4.19 -0.00 5.12 0.04 -1.26 -2.87 135.00 142.22 1quw s PRO 83 Ca -0.08 1.70 -0.22 0.00 0.04 0.00 0.00 61.00 62.44 1quw s PRO 83 Cb -0.08 -3.81 -0.12 0.00 0.04 0.00 0.00 34.50 30.53 1quw s PRO 83 CO -0.17 -0.77 0.95 0.28 0.04 0.00 0.00 177.00 177.32 1quw h VAL 84 N 5.55 0.00 -3.42 -0.36 2.07 0.03 -3.47 116.25 116.65 1quw h VAL 84 Ca -0.28 -0.37 -0.09 0.00 0.82 0.00 0.00 66.70 66.78 1quw h VAL 84 Cb 1.11 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 30.73 1quw h VAL 84 CO 0.97 0.00 -0.25 -0.54 0.02 0.00 0.00 177.57 177.77 1quw s LYS 85 N -4.17 0.85 -0.21 1.57 1.02 -1.25 -5.02 119.74 112.52 1quw s LYS 85 Ca -0.12 -0.63 0.01 0.00 0.02 0.00 0.00 55.97 55.26 1quw s LYS 85 Cb 0.01 0.37 0.03 0.00 -0.52 0.00 0.00 37.83 37.72 1quw s LYS 85 CO 0.35 -0.28 -0.15 -1.14 -0.92 0.00 0.00 175.35 173.21 1quw s GLN 86 N -3.00 2.76 0.12 1.68 0.74 -1.26 -3.08 119.66 117.62 1quw s GLN 86 Ca -0.02 -1.00 0.10 0.00 0.05 0.00 0.00 55.36 54.50 1quw s GLN 86 Cb 0.01 -2.73 -0.04 0.00 1.10 0.00 0.00 33.01 31.35 1quw s GLN 86 CO -0.06 -0.34 -0.26 -0.48 -0.55 0.00 0.00 175.29 173.60 1quw s LEU 87 N 1.24 2.30 0.23 3.68 0.05 -1.04 -5.02 118.68 120.13 1quw s LEU 87 Ca 0.00 -0.73 0.01 0.00 0.05 0.00 0.00 54.13 53.46 1quw s LEU 87 Cb -0.16 -1.17 -0.04 0.00 -2.05 0.00 0.00 46.19 42.78 1quw s LEU 87 CO -0.09 0.17 0.14 0.27 -0.55 0.00 0.00 176.35 176.29 1quw s ILE 88 N -1.05 0.11 0.00 1.48 -0.00 -1.26 -1.35 121.20 119.12 1quw s ILE 88 Ca 0.13 -2.00 0.00 0.00 -0.00 0.00 0.00 60.65 58.78 1quw s ILE 88 Cb -0.10 -2.52 0.00 0.00 -0.00 0.00 0.00 42.46 39.84 1quw s ILE 88 CO 0.05 0.00 0.00 0.61 -0.00 0.00 0.00 174.94 175.60 1quw n GLY 89 N -0.36 -1.23 3.66 6.27 0.00 -0.27 -4.76 105.19 108.49 1quw n GLY 89 Ca 0.02 -1.61 -0.43 0.00 0.00 0.00 0.00 46.02 44.01 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 -1.68 3.29 -0.09 1.61 5.04 -1.26 -4.72 117.35 119.54 1quw s TYR 90 Ca 0.00 1.42 0.04 0.00 -2.44 0.00 0.00 57.07 56.08 1quw s TYR 90 Cb 0.00 -3.31 -0.01 0.00 0.35 0.00 0.00 41.96 38.99 1quw s TYR 90 CO 0.00 -0.60 -0.20 1.14 -1.34 0.00 0.00 175.55 174.54 1quw s GLN 91 N 3.24 2.89 1.14 4.97 0.00 -1.26 -5.12 119.66 125.52 1quw s GLN 91 Ca 0.45 -0.82 -0.15 0.00 -0.00 0.00 0.00 55.36 54.84 1quw s GLN 91 Cb -0.16 -2.34 0.19 0.00 0.00 0.00 0.00 33.01 30.70 1quw s GLN 91 CO 0.07 0.32 0.52 -2.30 0.00 0.00 0.00 175.29 173.89 1quw n PRO 92 N 3.17 -1.95 -0.16 9.60 -0.02 -1.26 -4.56 135.00 139.81 1quw n PRO 92 Ca -0.18 -0.54 -0.08 0.00 -2.02 0.00 0.00 63.50 60.68 1quw n PRO 92 Cb 0.52 -1.94 0.08 0.00 -0.02 0.00 0.00 33.50 32.14 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 -2.34 0.95 -0.16 -0.52 3.64 -1.98 0.21 116.57 116.36 1quw h LYS 93 Ca -0.57 -0.30 -0.14 0.00 -1.27 0.00 0.00 60.65 58.37 1quw h LYS 93 Cb 1.34 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 33.07 1quw h LYS 93 CO 0.43 0.96 -0.51 0.93 -2.27 0.00 0.00 179.45 179.00 1quw h GLU 94 N 0.86 0.44 -0.31 1.90 3.07 -2.00 -0.33 114.58 118.21 1quw h GLU 94 Ca 0.15 -0.26 -0.03 0.00 -0.50 0.00 0.00 59.36 58.72 1quw h GLU 94 Cb 0.56 0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.48 1quw h GLU 94 CO 0.03 0.85 0.08 0.37 -1.40 0.00 0.00 179.01 178.94 1quw h GLN 95 N 0.35 0.50 -0.28 2.33 5.75 -1.81 -2.97 115.11 118.98 1quw h GLN 95 Ca 0.01 -0.12 0.03 0.00 -0.15 0.00 0.00 58.65 58.43 1quw h GLN 95 Cb 1.01 -0.07 -0.03 0.00 1.07 0.00 0.00 27.48 29.46 1quw h GLN 95 CO 0.09 0.56 0.10 -0.07 -2.65 0.00 0.00 178.83 176.86 1quw h LEU 96 N 0.35 0.11 -0.75 -2.39 3.38 -0.38 -0.93 115.31 114.69 1quw h LEU 96 Ca 0.10 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 1quw h LEU 96 Cb 0.28 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 1quw h LEU 96 CO 0.00 0.10 0.38 -0.33 0.09 0.00 0.00 178.44 178.67 1quw h GLU 97 N 0.22 1.08 -0.34 1.13 5.08 -0.99 0.72 114.58 121.48 1quw h GLU 97 Ca 0.12 -0.15 -0.09 0.00 -1.00 0.00 0.00 59.36 58.24 1quw h GLU 97 Cb 0.09 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.13 1quw h GLU 97 CO -0.12 0.83 -0.16 0.00 -1.00 0.00 0.00 179.01 178.56 1quw h ALA 98 N 1.19 0.48 -0.02 3.43 0.00 -1.49 -2.73 119.26 120.12 1quw h ALA 98 Ca 0.26 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 1quw h ALA 98 Cb 0.10 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 1quw h ALA 98 CO -0.04 0.39 -0.00 0.37 0.00 0.00 0.00 179.25 179.97 1quw h GLN 99 N 0.49 0.04 0.00 0.00 5.75 -0.35 -3.05 115.11 117.98 1quw h GLN 99 Ca 0.08 -0.01 -0.06 0.00 -0.15 0.00 0.00 58.65 58.51 1quw h GLN 99 Cb 0.69 -0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.23 1quw h GLN 99 CO 0.05 0.39 -0.27 -0.07 -2.65 0.00 0.00 178.83 176.28 1quw h LEU 100 N -0.32 0.00 -2.13 -2.39 -0.00 0.31 -1.86 115.31 108.91 1quw h LEU 100 Ca 0.00 0.00 0.06 0.00 -0.00 0.00 0.00 57.88 57.95 1quw h LEU 100 Cb 0.38 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.03 1quw h LEU 100 CO 0.00 0.27 0.19 0.00 -0.00 0.00 0.00 178.44 178.90 1quw h ALA 101 N 1.73 2.02 -0.43 1.53 0.00 -1.37 0.24 119.26 122.99 1quw h ALA 101 Ca -0.00 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 1quw h ALA 101 Cb 0.53 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 1quw h ALA 101 CO 0.03 -0.31 0.02 0.22 0.00 0.00 0.00 179.25 179.21 1quw h ASP 102 N 0.00 0.73 1.04 0.00 3.58 -1.36 -2.63 116.42 117.78 1quw h ASP 102 Ca 0.11 -0.30 -0.17 0.00 0.42 0.00 0.00 57.03 57.09 1quw h ASP 102 Cb 0.49 -0.19 -0.03 0.00 1.72 0.00 0.00 39.33 41.32 1quw h ASP 102 CO -0.00 0.84 -1.01 -0.37 -2.88 0.00 0.00 179.24 175.82 1quw h VAL 103 N 0.58 0.93 0.00 2.25 -1.51 -1.36 -3.35 116.25 113.79 1quw h VAL 103 Ca 0.12 -2.45 -0.19 0.00 -1.23 0.00 0.00 66.70 62.95 1quw h VAL 103 Cb 0.46 2.39 -0.03 0.00 -2.13 0.00 0.00 31.29 31.99 1quw h VAL 103 CO 0.02 0.53 -0.91 -0.07 -1.23 0.00 0.00 177.57 175.91 1quw h LEU 104 N 0.00 0.03 0.00 4.19 3.38 -0.58 -3.50 115.31 118.82 1quw h LEU 104 Ca -0.08 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1quw h LEU 104 Cb 1.59 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.34 1quw h LEU 104 CO 0.07 0.92 0.00 0.00 0.09 0.00 0.00 178.44 179.53