#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 2.36 0.30 0.00 -4.23 -1.26 -3.96 115.64 108.85 1quw s THR 2 Ca 0.00 -1.39 0.08 0.00 -1.18 0.00 0.00 61.69 59.19 1quw s THR 2 Cb 0.00 -1.97 -0.03 0.00 1.34 0.00 0.00 72.50 71.84 1quw s THR 2 CO 0.00 0.31 0.20 -0.32 -0.54 0.00 0.00 174.62 174.27 1quw s MET 3 N -1.45 2.69 -0.12 3.99 -2.45 -0.80 -4.97 119.30 116.19 1quw s MET 3 Ca 0.13 -1.26 -0.01 0.00 -1.25 0.00 0.00 55.69 53.30 1quw s MET 3 Cb -0.10 -2.42 0.03 0.00 1.25 0.00 0.00 34.83 33.59 1quw s MET 3 CO 0.04 0.24 -0.04 0.99 1.05 0.00 0.00 175.02 177.30 1quw s THR 4 N -2.27 0.80 0.41 10.11 2.01 -1.26 -1.04 115.64 124.40 1quw s THR 4 Ca 0.36 -0.27 0.08 0.00 0.31 0.00 0.00 61.69 62.17 1quw s THR 4 Cb -0.06 -0.94 -0.00 0.00 0.01 0.00 0.00 72.50 71.50 1quw s THR 4 CO 0.25 0.22 0.49 -0.76 -0.69 0.00 0.00 174.62 174.13 1quw s LEU 5 N 1.79 3.61 0.11 4.42 1.02 0.39 -4.85 118.68 125.17 1quw s LEU 5 Ca 0.03 -0.50 -0.11 0.00 0.02 0.00 0.00 54.13 53.57 1quw s LEU 5 Cb -0.14 -2.47 0.01 0.00 0.02 0.00 0.00 46.19 43.61 1quw s LEU 5 CO -0.07 -0.68 0.28 0.28 0.02 0.00 0.00 176.35 176.18 1quw s THR 6 N -2.37 0.10 0.20 5.49 -1.32 -1.26 -4.38 115.64 112.10 1quw s THR 6 Ca 0.52 -1.00 -0.03 0.00 -1.21 0.00 0.00 61.69 59.97 1quw s THR 6 Cb -0.08 -1.36 0.31 0.00 -1.51 0.00 0.00 72.50 69.86 1quw s THR 6 CO 0.31 -0.48 1.07 -0.90 -2.21 0.00 0.00 174.62 172.41 1quw n ASP 7 N -0.15 -0.19 -0.08 8.08 5.75 -1.26 0.13 116.55 128.83 1quw n ASP 7 Ca -0.14 1.17 -0.13 0.00 -0.01 0.00 0.00 54.79 55.67 1quw n ASP 7 Cb 0.63 -0.38 -0.09 0.00 -1.03 0.00 0.00 41.12 40.25 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 1.37 0.08 0.00 2.12 0.00 -2.02 -3.30 119.26 117.52 1quw h ALA 8 Ca 0.36 -0.66 -0.07 0.00 0.00 0.00 0.00 54.91 54.54 1quw h ALA 8 Cb 0.62 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 1quw h ALA 8 CO -0.68 0.28 -0.34 -0.97 0.00 0.00 0.00 179.25 177.54 1quw h ASN 9 N -1.00 0.00 -0.41 0.00 -1.24 -1.84 -2.96 115.58 108.13 1quw h ASN 9 Ca -0.11 0.00 0.09 0.00 0.71 0.00 0.00 56.30 56.98 1quw h ASN 9 Cb 0.90 0.00 -0.09 0.00 0.73 0.00 0.00 38.32 39.86 1quw h ASN 9 CO -0.07 0.34 -0.16 0.15 -1.29 0.00 0.00 177.43 176.39 1quw h PHE 10 N 0.00 -0.39 -0.00 0.67 3.57 0.91 0.27 116.94 121.97 1quw h PHE 10 Ca -0.00 0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.54 1quw h PHE 10 Cb 0.63 0.24 -0.00 0.00 2.79 0.00 0.00 35.95 39.61 1quw h PHE 10 CO 0.00 -0.24 0.00 1.96 -2.23 0.00 0.00 178.31 177.80 1quw h GLN 11 N -0.08 0.00 -0.73 1.11 4.20 -1.59 -2.47 115.11 115.54 1quw h GLN 11 Ca 0.20 -0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.90 1quw h GLN 11 Cb 0.39 -0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.13 1quw h GLN 11 CO -0.47 0.07 0.40 0.37 -0.67 0.00 0.00 178.83 178.53 1quw h GLN 12 N -0.07 1.01 -0.00 1.46 4.15 -1.47 -1.77 115.11 118.43 1quw h GLN 12 Ca 0.00 -0.11 0.00 0.00 0.77 0.00 0.00 58.65 59.32 1quw h GLN 12 Cb 0.07 -0.20 -0.00 0.00 0.21 0.00 0.00 27.48 27.55 1quw h GLN 12 CO -0.00 0.74 -0.02 0.00 -1.93 0.00 0.00 178.83 177.62 1quw h ALA 13 N 1.42 -0.01 -0.01 3.38 0.00 -0.18 -3.03 119.26 120.82 1quw h ALA 13 Ca 0.26 0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.97 1quw h ALA 13 Cb 0.02 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1quw h ALA 13 CO -0.04 -0.51 -0.86 -0.84 0.00 0.00 0.00 179.25 176.99 1quw h ILE 14 N -0.03 1.44 0.00 0.00 3.07 -1.31 -3.19 117.51 117.49 1quw h ILE 14 Ca 0.01 -2.46 0.00 0.00 1.55 0.00 0.00 64.86 63.96 1quw h ILE 14 Cb 0.04 2.37 0.00 0.00 -0.27 0.00 0.00 36.82 38.96 1quw h ILE 14 CO -0.02 0.72 0.00 0.00 -1.05 0.00 0.00 178.15 177.80 1quw n GLN 15 N -3.72 0.10 0.00 0.16 1.13 -0.68 -0.62 117.38 113.75 1quw n GLN 15 Ca -0.05 0.38 0.00 0.00 -1.94 0.00 0.00 57.00 55.39 1quw n GLN 15 Cb 0.79 -1.70 0.00 0.00 0.11 0.00 0.00 30.24 29.44 1quw n GLN 15 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1quw n GLY 16 N -0.22 -2.50 1.46 1.08 0.00 -1.15 -4.55 105.19 99.31 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 2.09 0.00 0.00 0.00 173.32 175.41 1quw n ASP 17 N -0.07 -1.09 -4.81 1.61 5.75 -1.24 -4.77 116.55 111.93 1quw n ASP 17 Ca 0.00 0.29 -0.29 0.00 -0.01 0.00 0.00 54.79 54.77 1quw n ASP 17 Cb 0.00 1.29 0.11 0.00 -1.03 0.00 0.00 41.12 41.49 1quw n ASP 17 CO 0.00 0.00 0.00 -1.59 -0.11 0.00 0.00 177.20 175.50 1quw s LYS 18 N -2.00 1.63 0.28 0.11 -2.85 -1.25 -3.31 119.74 112.36 1quw s LYS 18 Ca 0.00 0.39 -0.30 0.00 -1.00 0.00 0.00 55.97 55.06 1quw s LYS 18 Cb 0.00 -1.89 -0.11 0.00 -2.06 0.00 0.00 37.83 33.77 1quw s LYS 18 CO 0.00 -1.88 1.60 -2.14 0.10 0.00 0.00 175.35 173.03 1quw s PRO 19 N -5.28 4.13 -0.13 1.78 0.02 -1.26 -4.38 135.00 129.88 1quw s PRO 19 Ca 0.62 2.57 -0.04 0.00 0.02 0.00 0.00 61.00 64.17 1quw s PRO 19 Cb -0.14 -3.03 0.06 0.00 0.02 0.00 0.00 34.50 31.40 1quw s PRO 19 CO 0.53 -0.64 0.11 0.08 -0.33 0.00 0.00 177.00 176.75 1quw s VAL 20 N 0.15 -0.14 -0.59 3.83 1.01 0.52 -4.35 120.40 120.82 1quw s VAL 20 Ca 0.64 0.05 -0.27 0.00 0.00 0.00 0.00 61.98 62.41 1quw s VAL 20 Cb -0.48 -0.45 0.03 0.00 0.00 0.00 0.00 36.38 35.49 1quw s VAL 20 CO 0.46 -0.11 1.14 -0.22 0.00 0.00 0.00 175.10 176.37 1quw s LEU 21 N 2.19 3.60 -0.19 3.92 2.96 -0.01 -1.56 118.68 129.59 1quw s LEU 21 Ca 0.04 -0.10 -0.28 0.00 -0.22 0.00 0.00 54.13 53.56 1quw s LEU 21 Cb -0.15 -2.99 -0.00 0.00 0.50 0.00 0.00 46.19 43.55 1quw s LEU 21 CO -0.07 -1.46 0.99 -0.69 -1.32 0.00 0.00 176.35 173.79 1quw s VAL 22 N 4.79 4.75 -0.42 1.68 1.01 0.88 0.42 120.40 133.50 1quw s VAL 22 Ca 0.38 1.96 -0.15 0.00 0.00 0.00 0.00 61.98 64.17 1quw s VAL 22 Cb -0.09 -4.28 0.03 0.00 0.00 0.00 0.00 36.38 32.04 1quw s VAL 22 CO 0.22 -0.09 0.32 -1.81 0.00 0.00 0.00 175.10 173.74 1quw s ASP 23 N 1.17 6.12 -0.11 3.32 1.11 0.22 -0.85 116.67 127.66 1quw s ASP 23 Ca 0.44 -0.96 -0.25 0.00 0.18 0.00 0.00 52.55 51.96 1quw s ASP 23 Cb -0.16 -2.17 -0.02 0.00 1.07 0.00 0.00 42.92 41.64 1quw s ASP 23 CO 0.11 -0.48 0.80 -0.36 1.18 0.00 0.00 175.17 176.41 1quw s PHE 24 N 1.69 3.50 0.29 4.23 0.40 0.67 -2.53 117.98 126.23 1quw s PHE 24 Ca 0.05 1.30 -0.19 0.00 -0.60 0.00 0.00 56.93 57.49 1quw s PHE 24 Cb -0.20 -2.95 0.06 0.00 0.51 0.00 0.00 43.02 40.44 1quw s PHE 24 CO 0.10 -0.09 0.86 1.67 0.70 0.00 0.00 175.22 178.45 1quw s TRP 25 N 1.52 0.02 0.05 0.36 1.48 -1.20 -1.12 118.94 120.06 1quw s TRP 25 Ca 0.39 -0.55 0.02 0.00 -1.06 0.00 0.00 56.10 54.90 1quw s TRP 25 Cb -0.17 0.76 -0.03 0.00 -1.16 0.00 0.00 33.47 32.87 1quw s TRP 25 CO 0.16 -1.27 -0.07 0.00 -4.06 0.00 0.00 176.95 171.71 1quw s ALA 26 N -2.68 0.56 0.28 2.67 0.00 -1.26 -2.41 121.76 118.92 1quw s ALA 26 Ca 0.16 -0.83 0.23 0.00 0.00 0.00 0.00 51.96 51.52 1quw s ALA 26 Cb -0.04 0.08 1.06 0.00 0.00 0.00 0.00 23.12 24.22 1quw s ALA 26 CO 0.08 -0.07 1.90 0.00 0.00 0.00 0.00 175.76 177.67 1quw h ALA 27 N 4.29 1.16 -0.01 0.00 0.00 -2.02 -2.03 119.26 120.65 1quw h ALA 27 Ca -0.35 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.35 1quw h ALA 27 Cb 1.20 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1quw h ALA 27 CO 0.44 0.29 -0.20 -2.67 0.00 0.00 0.00 179.25 177.11 1quw n TRP 28 N -3.59 0.00 -1.68 0.00 4.27 -1.26 -4.97 117.44 110.21 1quw n TRP 28 Ca -0.01 0.00 -0.43 0.00 -3.89 0.00 0.00 57.50 53.17 1quw n TRP 28 Cb 0.37 -0.16 -0.01 0.00 -1.36 0.00 0.00 31.31 30.15 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 2.40 0.00 2.00 0.00 0.00 -1.93 -3.36 103.07 102.18 1quw h GLY 30 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.88 1quw h GLY 30 CO 0.62 0.00 0.00 -0.56 0.00 0.00 0.00 176.54 176.60 1quw h PRO 31 N -0.81 0.00 0.00 4.80 0.13 -1.92 -1.55 132.00 132.65 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 0.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.19 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 0.59 0.27 0.00 3.08 -1.42 0.12 114.38 117.02 1quw h ARG 33 Ca 0.00 -0.08 -0.01 0.00 0.07 0.00 0.00 59.98 59.96 1quw h ARG 33 Cb 0.45 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.39 1quw h ARG 33 CO 0.00 0.49 -0.13 0.52 -1.07 0.00 0.00 179.97 179.78 1quw h MET 34 N 0.59 -0.35 -0.05 0.04 2.86 -1.61 -2.92 114.93 113.50 1quw h MET 34 Ca 0.15 0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.81 1quw h MET 34 Cb 0.11 0.08 0.00 0.00 0.06 0.00 0.00 31.60 31.85 1quw h MET 34 CO -0.02 -0.11 0.00 0.00 1.06 0.00 0.00 176.91 177.84 1quw n MET 35 N -5.17 1.33 -0.08 1.72 0.00 -1.17 -4.18 117.12 109.57 1quw n MET 35 Ca -0.10 -0.49 -0.07 0.00 0.00 0.00 0.00 57.70 57.03 1quw n MET 35 Cb 0.21 -1.40 -0.01 0.00 0.00 0.00 0.00 33.22 32.03 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 3.94 -0.10 0.00 3.17 0.00 -0.56 -2.05 119.26 123.67 1quw h ALA 36 Ca 0.00 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1quw h ALA 36 Cb 0.23 0.55 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1quw h ALA 36 CO 0.00 -0.66 0.00 -1.00 0.00 0.00 0.00 179.25 177.59 1quw h PRO 37 N -0.23 0.00 0.09 0.00 0.13 -1.77 -2.82 132.00 127.40 1quw h PRO 37 Ca 0.16 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 65.02 1quw h PRO 37 Cb 0.48 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.62 1quw h PRO 37 CO -0.44 0.00 -1.16 -0.39 -0.23 0.00 0.00 178.00 175.78 1quw h VAL 38 N 0.00 1.42 -0.47 1.56 -1.51 -1.68 -2.80 116.25 112.76 1quw h VAL 38 Ca 0.00 -2.74 -0.12 0.00 -1.23 0.00 0.00 66.70 62.61 1quw h VAL 38 Cb 0.59 2.74 -0.02 0.00 -2.13 0.00 0.00 31.29 32.47 1quw h VAL 38 CO 0.00 0.81 -0.18 -0.07 -1.23 0.00 0.00 177.57 176.90 1quw h LEU 39 N 0.16 0.94 -0.31 4.19 3.38 -1.23 0.22 115.31 122.67 1quw h LEU 39 Ca -0.13 -0.34 -0.03 0.00 0.09 0.00 0.00 57.88 57.47 1quw h LEU 39 Cb 1.84 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 42.32 1quw h LEU 39 CO 0.20 1.10 0.08 -0.33 0.09 0.00 0.00 178.44 179.58 1quw h GLU 40 N 0.81 0.48 0.00 1.13 4.39 -1.58 -1.48 114.58 118.33 1quw h GLU 40 Ca 0.12 -0.11 -0.05 0.00 0.34 0.00 0.00 59.36 59.66 1quw h GLU 40 Cb 0.73 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.31 1quw h GLU 40 CO 0.06 0.55 -0.23 0.93 -1.16 0.00 0.00 179.01 179.16 1quw h GLU 41 N 0.33 0.00 -0.22 2.33 5.08 -1.40 -3.11 114.58 117.59 1quw h GLU 41 Ca 0.10 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.41 1quw h GLU 41 Cb 0.28 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 1quw h GLU 41 CO -0.00 0.23 -0.03 0.35 -1.00 0.00 0.00 179.01 178.55 1quw h PHE 42 N 0.00 0.45 -0.02 4.33 3.57 0.09 -1.70 116.94 123.66 1quw h PHE 42 Ca -0.00 -0.09 -0.05 0.00 3.53 0.00 0.00 57.97 61.36 1quw h PHE 42 Cb 0.41 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.03 1quw h PHE 42 CO 0.00 0.63 -0.23 0.00 -2.23 0.00 0.00 178.31 176.48 1quw h ALA 43 N 0.76 1.57 0.00 2.41 0.00 -1.23 -1.06 119.26 121.72 1quw h ALA 43 Ca 0.06 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1quw h ALA 43 Cb 0.47 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1quw h ALA 43 CO 0.02 0.32 -0.18 0.93 0.00 0.00 0.00 179.25 180.33 1quw h GLU 44 N 0.04 0.00 0.36 0.00 5.08 -1.51 -1.93 114.58 116.62 1quw h GLU 44 Ca 0.01 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.35 1quw h GLU 44 Cb 0.43 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.68 1quw h GLU 44 CO 0.03 0.00 -0.17 0.00 -1.00 0.00 0.00 179.01 177.87 1quw h ALA 45 N 2.24 -0.49 0.01 3.43 0.00 -0.23 -3.38 119.26 120.85 1quw h ALA 45 Ca 0.00 -0.18 -0.10 0.00 0.00 0.00 0.00 54.91 54.63 1quw h ALA 45 Cb 0.88 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 1quw h ALA 45 CO 0.00 -0.52 -0.56 0.45 0.00 0.00 0.00 179.25 178.63 1quw h HIS 46 N -1.00 0.03 0.00 0.00 3.86 -1.65 -3.47 115.15 112.92 1quw h HIS 46 Ca -0.05 -0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.14 1quw h HIS 46 Cb 0.51 -0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.98 1quw h HIS 46 CO 0.03 1.22 0.00 0.00 0.86 0.00 0.00 177.93 180.03 1quw n ALA 47 N -2.93 0.00 0.12 2.45 0.00 -0.73 -3.99 120.51 115.44 1quw n ALA 47 Ca -0.19 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.20 1quw n ALA 47 Cb 0.58 0.00 0.02 0.00 0.00 0.00 0.00 19.45 20.06 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 3.83 4.18 0.00 0.00 5.68 -1.26 -3.81 116.55 125.16 1quw n ASP 48 Ca 0.00 -2.42 0.00 0.00 -0.50 0.00 0.00 54.79 51.87 1quw n ASP 48 Cb 0.00 -0.78 0.00 0.00 -1.14 0.00 0.00 41.12 39.20 1quw n ASP 48 CO 0.00 0.00 0.00 1.17 -1.33 0.00 0.00 177.20 177.04 1quw n LYS 49 N 0.58 0.00 -4.02 0.11 3.00 -1.26 -5.09 118.16 111.48 1quw n LYS 49 Ca 0.10 0.00 -0.35 0.00 -0.00 0.00 0.00 58.31 58.06 1quw n LYS 49 Cb 0.63 -0.07 -0.08 0.00 0.00 0.00 0.00 35.03 35.50 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 -1.83 4.98 -0.48 3.15 0.11 -1.25 -4.89 120.40 120.20 1quw s VAL 50 Ca 0.00 0.02 -0.13 0.00 -2.93 0.00 0.00 61.98 58.94 1quw s VAL 50 Cb 0.00 -3.19 0.10 0.00 -1.53 0.00 0.00 36.38 31.75 1quw s VAL 50 CO 0.00 0.55 0.38 -0.89 -3.33 0.00 0.00 175.10 171.81 1quw s THR 51 N -0.40 4.82 -0.97 5.04 2.01 -1.26 -4.67 115.64 120.21 1quw s THR 51 Ca 0.10 -1.36 -0.20 0.00 0.31 0.00 0.00 61.69 60.53 1quw s THR 51 Cb -0.12 -3.99 0.10 0.00 0.01 0.00 0.00 72.50 68.50 1quw s THR 51 CO 0.02 -0.66 1.26 -0.69 -0.69 0.00 0.00 174.62 173.85 1quw s VAL 52 N 1.54 4.42 0.62 3.82 1.01 -1.25 -0.83 120.40 129.71 1quw s VAL 52 Ca 0.04 -1.27 0.02 0.00 0.00 0.00 0.00 61.98 60.76 1quw s VAL 52 Cb -0.26 -4.89 0.08 0.00 0.00 0.00 0.00 36.38 31.31 1quw s VAL 52 CO 0.03 -1.68 0.85 0.00 0.00 0.00 0.00 175.10 174.31 1quw s ALA 53 N 3.57 3.97 -0.21 5.51 0.00 0.17 -1.91 121.76 132.86 1quw s ALA 53 Ca 0.38 -1.62 -0.05 0.00 0.00 0.00 0.00 51.96 50.67 1quw s ALA 53 Cb -0.03 -1.94 0.07 0.00 0.00 0.00 0.00 23.12 21.23 1quw s ALA 53 CO -0.10 -1.03 0.11 0.15 0.00 0.00 0.00 175.76 174.90 1quw s LYS 54 N -4.88 0.10 -0.20 0.00 -0.14 -0.21 -0.61 119.74 113.81 1quw s LYS 54 Ca 0.61 -0.20 -0.05 0.00 -1.36 0.00 0.00 55.97 54.97 1quw s LYS 54 Cb -0.08 -1.60 -0.02 0.00 -1.68 0.00 0.00 37.83 34.44 1quw s LYS 54 CO 0.41 -0.77 0.00 -1.17 -0.76 0.00 0.00 175.35 173.05 1quw s LEU 55 N 2.14 3.28 -0.15 3.17 1.98 -1.05 -0.46 118.68 127.58 1quw s LEU 55 Ca 0.04 -0.19 -0.28 0.00 -2.89 0.00 0.00 54.13 50.81 1quw s LEU 55 Cb -0.16 -1.83 -0.01 0.00 0.66 0.00 0.00 46.19 44.85 1quw s LEU 55 CO -0.17 0.07 0.97 0.20 -1.89 0.00 0.00 176.35 175.52 1quw s ASN 56 N 0.97 7.14 0.48 3.68 -0.87 -1.26 -3.23 114.94 121.85 1quw s ASN 56 Ca 0.02 1.41 0.30 0.00 -1.57 0.00 0.00 52.86 53.01 1quw s ASN 56 Cb -0.14 -2.53 1.06 0.00 -0.02 0.00 0.00 41.25 39.62 1quw s ASN 56 CO 0.02 -0.49 1.86 1.62 -2.57 0.00 0.00 177.10 177.54 1quw h VAL 57 N 5.20 0.00 0.11 1.60 3.04 -1.77 -2.50 116.25 121.93 1quw h VAL 57 Ca -0.28 -0.60 -0.16 0.00 -1.01 0.00 0.00 66.70 64.65 1quw h VAL 57 Cb 1.12 1.58 0.02 0.00 -2.01 0.00 0.00 31.29 32.00 1quw h VAL 57 CO 0.88 0.00 -0.71 -0.78 -1.01 0.00 0.00 177.57 175.94 1quw h ASP 58 N 0.00 0.43 0.03 3.17 1.82 -1.91 -3.39 116.42 116.57 1quw h ASP 58 Ca 0.00 -0.94 -0.04 0.00 -0.39 0.00 0.00 57.03 55.66 1quw h ASP 58 Cb 0.62 -0.14 0.00 0.00 0.68 0.00 0.00 39.33 40.50 1quw h ASP 58 CO 0.00 1.34 -0.18 -0.08 -1.61 0.00 0.00 179.24 178.71 1quw h GLU 59 N -0.40 0.07 -5.15 0.28 4.81 -1.95 -3.45 114.58 108.79 1quw h GLU 59 Ca -0.12 -0.11 -0.63 0.00 -0.13 0.00 0.00 59.36 58.37 1quw h GLU 59 Cb 1.55 0.04 -0.15 0.00 0.63 0.00 0.00 28.75 30.82 1quw h GLU 59 CO 0.13 1.04 -0.28 -0.80 -0.73 0.00 0.00 179.01 178.37 1quw s ASN 60 N -6.37 6.24 -0.01 1.04 0.01 -0.95 -4.95 114.94 109.94 1quw s ASN 60 Ca -0.18 0.27 0.19 0.00 -0.71 0.00 0.00 52.86 52.43 1quw s ASN 60 Cb -0.02 -2.20 -0.25 0.00 0.41 0.00 0.00 41.25 39.20 1quw s ASN 60 CO 0.72 -0.14 0.63 -0.81 -1.51 0.00 0.00 177.10 175.99 1quw n PRO 61 N 5.14 0.71 0.08 -0.60 -0.04 -1.26 -4.38 135.00 134.65 1quw n PRO 61 Ca -0.09 -0.08 -0.14 0.00 -0.04 0.00 0.00 63.50 63.15 1quw n PRO 61 Cb 0.51 -1.42 -0.14 0.00 -0.04 0.00 0.00 33.50 32.42 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 0.19 0.08 0.54 -0.00 -1.94 -2.90 114.58 110.55 1quw h GLU 62 Ca 0.00 -0.33 -0.27 0.00 -0.00 0.00 0.00 59.36 58.77 1quw h GLU 62 Cb 0.64 0.12 -0.01 0.00 -0.00 0.00 0.00 28.75 29.50 1quw h GLU 62 CO 0.00 1.12 -1.31 0.00 -0.00 0.00 0.00 179.01 178.82 1quw h THR 63 N 0.05 1.39 0.00 -1.06 1.03 -1.91 -2.80 112.91 109.62 1quw h THR 63 Ca -0.13 -3.05 -0.05 0.00 -0.01 0.00 0.00 66.41 63.18 1quw h THR 63 Cb 1.93 2.81 -0.01 0.00 -1.07 0.00 0.00 68.15 71.82 1quw h THR 63 CO 0.17 0.86 -0.22 0.00 -0.01 0.00 0.00 175.52 176.32 1quw h THR 64 N 0.04 0.79 0.03 0.00 1.03 -1.76 -2.13 112.91 110.91 1quw h THR 64 Ca -0.15 -0.86 -0.22 0.00 -0.01 0.00 0.00 66.41 65.18 1quw h THR 64 Cb 1.93 1.52 -0.02 0.00 -1.07 0.00 0.00 68.15 70.52 1quw h THR 64 CO 0.16 0.21 -1.00 0.77 -0.01 0.00 0.00 175.52 175.65 1quw h SER 65 N 0.00 0.14 -0.58 0.00 4.64 -1.54 -1.48 113.55 114.73 1quw h SER 65 Ca -0.00 -0.14 -0.09 0.00 -0.47 0.00 0.00 61.79 61.10 1quw h SER 65 Cb 0.50 -0.04 -0.02 0.00 -0.31 0.00 0.00 62.40 62.53 1quw h SER 65 CO 0.03 1.05 0.03 -0.61 -0.87 0.00 0.00 176.83 176.46 1quw h GLN 66 N 0.04 1.00 0.06 4.77 4.15 -1.12 -3.32 115.11 120.69 1quw h GLN 66 Ca -0.04 -0.31 -0.37 0.00 0.77 0.00 0.00 58.65 58.71 1quw h GLN 66 Cb 1.72 -0.10 -0.04 0.00 0.21 0.00 0.00 27.48 29.27 1quw h GLN 66 CO 0.14 0.98 -2.16 1.19 -1.93 0.00 0.00 178.83 177.06 1quw n PHE 67 N -4.25 0.72 -0.51 3.99 3.72 -0.94 -5.05 117.46 115.13 1quw n PHE 67 Ca 0.02 0.17 0.00 0.00 -0.05 0.00 0.00 57.45 57.59 1quw n PHE 67 Cb 0.32 -1.10 0.00 0.00 -0.94 0.00 0.00 39.48 37.76 1quw n PHE 67 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1quw n GLY 68 N 2.01 0.29 3.50 1.37 0.00 -0.57 -5.04 105.19 106.76 1quw n GLY 68 Ca -0.35 -0.49 -0.42 0.00 0.00 0.00 0.00 46.02 44.76 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 -0.84 5.07 -0.14 -0.61 -1.09 -1.14 -4.91 121.20 117.54 1quw s ILE 69 Ca 0.00 -0.17 0.19 0.00 -2.23 0.00 0.00 60.65 58.44 1quw s ILE 69 Cb 0.00 -4.01 -0.15 0.00 -1.58 0.00 0.00 42.46 36.72 1quw s ILE 69 CO 0.00 -0.36 0.75 0.23 -1.23 0.00 0.00 174.94 174.33 1quw n MET 70 N 5.64 0.63 -3.69 2.79 2.81 -1.26 -4.94 117.12 119.11 1quw n MET 70 Ca -0.07 0.10 -0.12 0.00 -1.81 0.00 0.00 57.70 55.79 1quw n MET 70 Cb 0.48 -1.73 -0.09 0.00 -0.71 0.00 0.00 33.22 31.17 1quw n MET 70 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1quw s SER 71 N -5.41 -0.59 0.18 7.83 0.15 -1.26 -5.15 113.70 109.45 1quw s SER 71 Ca -0.04 1.10 -0.04 0.00 0.70 0.00 0.00 55.95 57.68 1quw s SER 71 Cb 0.10 1.09 -0.05 0.00 -1.71 0.00 0.00 66.02 65.44 1quw s SER 71 CO 0.82 -0.19 0.40 0.27 1.20 0.00 0.00 173.24 175.74 1quw s ILE 72 N 0.56 5.16 0.29 6.45 -5.25 -1.26 -3.99 121.20 123.16 1quw s ILE 72 Ca -0.02 -0.08 -0.20 0.00 -0.99 0.00 0.00 60.65 59.36 1quw s ILE 72 Cb -0.04 -3.67 -0.09 0.00 2.95 0.00 0.00 42.46 41.61 1quw s ILE 72 CO -0.03 -0.06 0.80 -2.16 -1.79 0.00 0.00 174.94 171.70 1quw s PRO 73 N -2.95 4.25 -0.15 0.37 0.04 -1.26 -4.84 135.00 130.46 1quw s PRO 73 Ca 0.41 0.94 -0.01 0.00 0.04 0.00 0.00 61.00 62.38 1quw s PRO 73 Cb -0.12 -2.66 0.04 0.00 0.04 0.00 0.00 34.50 31.81 1quw s PRO 73 CO 0.26 0.26 -0.04 0.99 0.04 0.00 0.00 177.00 178.51 1quw s THR 74 N -1.75 0.92 -0.15 1.26 2.01 -0.27 -1.98 115.64 115.68 1quw s THR 74 Ca 0.50 -0.45 -0.05 0.00 0.31 0.00 0.00 61.69 62.00 1quw s THR 74 Cb -0.14 -1.10 -0.04 0.00 0.01 0.00 0.00 72.50 71.23 1quw s THR 74 CO 0.20 0.16 0.03 -0.76 -0.69 0.00 0.00 174.62 173.55 1quw s LEU 75 N 1.72 3.65 -0.02 4.42 1.43 -0.31 -0.24 118.68 129.33 1quw s LEU 75 Ca 0.02 0.07 0.00 0.00 -1.03 0.00 0.00 54.13 53.19 1quw s LEU 75 Cb -0.14 -1.89 0.03 0.00 0.03 0.00 0.00 46.19 44.21 1quw s LEU 75 CO -0.07 0.24 0.01 -0.63 0.23 0.00 0.00 176.35 176.13 1quw s ILE 76 N -0.06 0.07 -0.19 -0.59 1.01 -0.03 -2.18 121.20 119.24 1quw s ILE 76 Ca 0.05 0.13 -0.11 0.00 0.00 0.00 0.00 60.65 60.71 1quw s ILE 76 Cb -0.12 -0.17 -0.05 0.00 0.01 0.00 0.00 42.46 42.13 1quw s ILE 76 CO 0.02 0.11 0.18 -0.22 0.00 0.00 0.00 174.94 175.02 1quw s LEU 77 N 0.93 4.22 0.03 2.97 1.98 -1.13 -0.09 118.68 127.59 1quw s LEU 77 Ca -0.09 0.32 0.07 0.00 -2.89 0.00 0.00 54.13 51.55 1quw s LEU 77 Cb -0.12 -2.18 -0.03 0.00 0.66 0.00 0.00 46.19 44.52 1quw s LEU 77 CO -0.02 0.16 -0.20 -0.36 -1.89 0.00 0.00 176.35 174.04 1quw s PHE 78 N 0.38 2.50 0.00 5.38 0.40 -0.60 0.43 117.98 126.47 1quw s PHE 78 Ca 0.11 -0.29 0.00 0.00 -0.60 0.00 0.00 56.93 56.14 1quw s PHE 78 Cb -0.12 -1.47 0.00 0.00 0.51 0.00 0.00 43.02 41.95 1quw s PHE 78 CO -0.00 0.20 0.00 1.63 0.70 0.00 0.00 175.22 177.75 1quw n LYS 79 N 1.74 0.00 -2.22 0.44 5.02 -1.24 -0.36 118.16 121.55 1quw n LYS 79 Ca -0.16 0.00 -0.32 0.00 -2.02 0.00 0.00 58.31 55.81 1quw n LYS 79 Cb 0.52 0.00 0.02 0.00 -0.02 0.00 0.00 35.03 35.55 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 2.83 5.84 0.73 0.72 0.00 -1.21 -3.59 105.19 110.51 1quw n GLY 80 Ca 0.00 -2.64 0.00 0.00 0.00 0.00 0.00 46.02 43.38 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 -0.52 1.22 3.44 -0.02 0.00 0.21 -4.64 105.19 104.88 1quw n GLY 81 Ca 0.46 -0.33 -0.08 0.00 0.00 0.00 0.00 46.02 46.07 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 -2.12 0.51 -0.23 1.61 3.00 -1.26 -4.94 118.95 115.52 1quw s ARG 82 Ca 0.00 1.07 -0.29 0.00 -1.00 0.00 0.00 55.73 55.51 1quw s ARG 82 Cb 0.00 0.22 -0.02 0.00 0.00 0.00 0.00 34.95 35.15 1quw s ARG 82 CO 0.00 -0.18 1.44 -1.25 0.00 0.00 0.00 175.30 175.31 1quw s PRO 83 N 1.91 3.95 0.01 5.12 0.04 -1.26 -3.67 135.00 141.09 1quw s PRO 83 Ca -0.08 1.55 -0.25 0.00 0.04 0.00 0.00 61.00 62.26 1quw s PRO 83 Cb -0.08 -3.92 -0.14 0.00 0.04 0.00 0.00 34.50 30.39 1quw s PRO 83 CO -0.16 -1.08 1.07 0.28 0.04 0.00 0.00 177.00 177.15 1quw h VAL 84 N 5.91 0.13 -3.50 -0.36 2.07 -0.39 -3.47 116.25 116.64 1quw h VAL 84 Ca -0.30 -0.39 -0.11 0.00 0.82 0.00 0.00 66.70 66.72 1quw h VAL 84 Cb 1.13 0.19 -0.18 0.00 -1.52 0.00 0.00 31.29 30.90 1quw h VAL 84 CO 1.00 0.02 -0.39 -0.54 0.02 0.00 0.00 177.57 177.69 1quw s LYS 85 N -4.51 0.67 -0.06 1.57 1.02 -1.25 -5.01 119.74 112.17 1quw s LYS 85 Ca -0.13 -0.56 0.03 0.00 0.02 0.00 0.00 55.97 55.32 1quw s LYS 85 Cb 0.01 0.28 0.01 0.00 -0.52 0.00 0.00 37.83 37.61 1quw s LYS 85 CO 0.42 -0.19 -0.14 -1.14 -0.92 0.00 0.00 175.35 173.38 1quw s GLN 86 N -2.33 1.78 0.02 1.68 0.74 -1.26 -2.85 119.66 117.43 1quw s GLN 86 Ca -0.07 -0.49 0.00 0.00 0.05 0.00 0.00 55.36 54.86 1quw s GLN 86 Cb -0.02 -1.47 -0.02 0.00 1.10 0.00 0.00 33.01 32.60 1quw s GLN 86 CO -0.03 0.09 -0.04 -0.48 -0.55 0.00 0.00 175.29 174.29 1quw s LEU 87 N 0.47 2.21 0.07 3.68 2.34 -0.93 -5.02 118.68 121.51 1quw s LEU 87 Ca -0.12 -0.45 -0.01 0.00 0.06 0.00 0.00 54.13 53.62 1quw s LEU 87 Cb -0.15 0.04 -0.04 0.00 -0.56 0.00 0.00 46.19 45.48 1quw s LEU 87 CO 0.04 -0.25 -0.02 0.27 -1.06 0.00 0.00 176.35 175.33 1quw s ILE 88 N -1.27 0.28 0.00 1.48 -0.00 -1.26 -1.16 121.20 119.27 1quw s ILE 88 Ca -0.13 -1.85 0.00 0.00 -0.00 0.00 0.00 60.65 58.67 1quw s ILE 88 Cb -0.09 -1.63 0.00 0.00 -0.00 0.00 0.00 42.46 40.74 1quw s ILE 88 CO -0.01 -0.89 0.00 0.61 -0.00 0.00 0.00 174.94 174.65 1quw n GLY 89 N 0.05 -1.34 3.68 6.27 0.00 -0.84 -4.80 105.19 108.21 1quw n GLY 89 Ca -0.12 -1.51 -0.39 0.00 0.00 0.00 0.00 46.02 44.00 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 0.00 3.41 -0.13 1.61 5.04 -1.26 -4.72 117.35 121.30 1quw s TYR 90 Ca 0.00 0.86 -0.00 0.00 -2.44 0.00 0.00 57.07 55.49 1quw s TYR 90 Cb 0.00 -2.69 0.03 0.00 0.35 0.00 0.00 41.96 39.65 1quw s TYR 90 CO 0.00 -0.06 -0.07 1.14 -1.34 0.00 0.00 175.55 175.22 1quw s GLN 91 N 1.47 1.56 1.00 4.97 0.00 -1.26 -5.11 119.66 122.29 1quw s GLN 91 Ca 0.26 -0.36 -0.17 0.00 -0.00 0.00 0.00 55.36 55.09 1quw s GLN 91 Cb -0.16 -1.76 -0.04 0.00 0.00 0.00 0.00 33.01 31.05 1quw s GLN 91 CO 0.10 -0.32 -0.32 -2.30 0.00 0.00 0.00 175.29 172.46 1quw n PRO 92 N 4.91 -0.41 -0.27 9.60 -0.02 -1.26 -4.47 135.00 143.07 1quw n PRO 92 Ca -0.13 -0.10 0.06 0.00 -2.02 0.00 0.00 63.50 61.31 1quw n PRO 92 Cb 0.49 -1.45 0.20 0.00 -0.02 0.00 0.00 33.50 32.73 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 -1.41 0.50 -0.05 -0.52 3.64 -1.97 0.13 116.57 116.89 1quw h LYS 93 Ca -0.45 -0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 58.84 1quw h LYS 93 Cb 1.32 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 33.02 1quw h LYS 93 CO 0.30 0.33 -0.25 1.05 -2.27 0.00 0.00 179.45 178.61 1quw h GLU 94 N 0.52 0.09 -0.04 1.90 4.11 -1.99 0.11 114.58 119.28 1quw h GLU 94 Ca 0.43 -0.02 -0.18 0.00 0.07 0.00 0.00 59.36 59.66 1quw h GLU 94 Cb 0.64 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.87 1quw h GLU 94 CO -0.38 0.34 -0.76 1.96 0.07 0.00 0.00 179.01 180.23 1quw h GLN 95 N 0.08 0.27 -0.24 1.06 1.08 -1.23 -2.29 115.11 113.83 1quw h GLN 95 Ca 0.01 -0.24 0.00 0.00 -1.45 0.00 0.00 58.65 56.98 1quw h GLN 95 Cb 0.49 0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.97 1quw h GLN 95 CO 0.03 0.91 0.16 -0.07 -0.95 0.00 0.00 178.83 178.91 1quw h LEU 96 N 0.17 0.28 -0.53 1.46 -0.00 -0.27 -2.84 115.31 113.58 1quw h LEU 96 Ca -0.03 -0.02 -0.09 0.00 -0.00 0.00 0.00 57.88 57.75 1quw h LEU 96 Cb 1.34 -0.07 -0.02 0.00 -0.00 0.00 0.00 40.66 41.91 1quw h LEU 96 CO 0.12 0.21 -0.01 -0.33 -0.00 0.00 0.00 178.44 178.43 1quw h GLU 97 N 0.32 0.94 0.23 1.13 5.08 -0.80 0.44 114.58 121.92 1quw h GLU 97 Ca 0.09 -0.31 -0.01 0.00 -1.00 0.00 0.00 59.36 58.13 1quw h GLU 97 Cb -0.03 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.14 1quw h GLU 97 CO -0.02 0.96 -0.11 0.00 -1.00 0.00 0.00 179.01 178.84 1quw h ALA 98 N 0.95 -0.31 -0.76 3.43 0.00 -1.49 -0.84 119.26 120.25 1quw h ALA 98 Ca 0.15 -0.17 0.16 0.00 0.00 0.00 0.00 54.91 55.04 1quw h ALA 98 Cb 0.54 0.12 -0.10 0.00 0.00 0.00 0.00 17.79 18.35 1quw h ALA 98 CO 0.03 -0.52 0.26 0.37 0.00 0.00 0.00 179.25 179.39 1quw h GLN 99 N -0.61 0.36 0.00 0.00 5.75 -1.45 -3.00 115.11 116.16 1quw h GLN 99 Ca -0.03 -0.02 -0.05 0.00 -0.15 0.00 0.00 58.65 58.39 1quw h GLN 99 Cb 0.44 -0.08 -0.01 0.00 1.07 0.00 0.00 27.48 28.90 1quw h GLN 99 CO 0.05 0.24 -0.96 -0.07 -2.65 0.00 0.00 178.83 175.44 1quw h LEU 100 N 0.37 0.00 -1.34 -2.39 3.38 -0.82 -3.29 115.31 111.23 1quw h LEU 100 Ca 0.43 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.38 1quw h LEU 100 Cb 0.70 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.43 1quw h LEU 100 CO -0.46 0.20 0.21 0.00 0.09 0.00 0.00 178.44 178.48 1quw h ALA 101 N 1.80 1.48 -0.46 1.53 0.00 -1.00 -1.29 119.26 121.33 1quw h ALA 101 Ca -0.04 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.67 1quw h ALA 101 Cb 1.19 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 1quw h ALA 101 CO 0.02 0.41 -0.05 0.22 0.00 0.00 0.00 179.25 179.84 1quw h ASP 102 N 0.66 0.85 1.00 0.00 3.58 -1.62 -3.22 116.42 117.67 1quw h ASP 102 Ca 0.16 -0.33 -0.21 0.00 0.42 0.00 0.00 57.03 57.07 1quw h ASP 102 Cb 0.10 -0.23 -0.03 0.00 1.72 0.00 0.00 39.33 40.89 1quw h ASP 102 CO -0.02 0.98 -1.02 -0.37 -2.88 0.00 0.00 179.24 175.93 1quw h VAL 103 N 0.70 1.57 -0.07 2.25 -1.51 -1.62 -3.36 116.25 114.21 1quw h VAL 103 Ca 0.13 -3.25 -0.24 0.00 -1.23 0.00 0.00 66.70 62.10 1quw h VAL 103 Cb 0.57 2.77 0.01 0.00 -2.13 0.00 0.00 31.29 32.52 1quw h VAL 103 CO 0.03 0.89 -0.91 -0.07 -1.23 0.00 0.00 177.57 176.28 1quw h LEU 104 N 0.00 0.91 0.00 4.19 3.38 -1.27 -3.46 115.31 119.05 1quw h LEU 104 Ca -0.03 -0.66 0.00 0.00 0.09 0.00 0.00 57.88 57.28 1quw h LEU 104 Cb 1.75 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 42.23 1quw h LEU 104 CO 0.12 1.46 0.00 0.00 0.09 0.00 0.00 178.44 180.11