#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 1.09 0.47 0.00 -4.23 -1.26 -4.63 115.64 107.07 1quw s THR 2 Ca 0.00 -0.90 -0.04 0.00 -1.18 0.00 0.00 61.69 59.57 1quw s THR 2 Cb 0.00 -0.97 -0.03 0.00 1.34 0.00 0.00 72.50 72.84 1quw s THR 2 CO 0.00 0.07 0.75 -0.32 -0.54 0.00 0.00 174.62 174.58 1quw s MET 3 N -0.95 3.40 -0.11 3.99 -2.45 -0.58 -4.97 119.30 117.63 1quw s MET 3 Ca 0.02 0.02 -0.01 0.00 -1.25 0.00 0.00 55.69 54.47 1quw s MET 3 Cb -0.07 -2.43 0.03 0.00 1.25 0.00 0.00 34.83 33.62 1quw s MET 3 CO 0.01 -0.22 -0.02 0.99 1.05 0.00 0.00 175.02 176.83 1quw s THR 4 N -2.69 0.63 0.42 10.11 2.01 -1.26 -1.15 115.64 123.71 1quw s THR 4 Ca 0.47 -0.17 0.08 0.00 0.31 0.00 0.00 61.69 62.38 1quw s THR 4 Cb -0.10 -0.82 -0.00 0.00 0.01 0.00 0.00 72.50 71.59 1quw s THR 4 CO 0.43 0.19 0.50 -0.76 -0.69 0.00 0.00 174.62 174.29 1quw s LEU 5 N 1.86 3.58 0.06 4.42 1.02 0.04 -4.87 118.68 124.79 1quw s LEU 5 Ca 0.04 -0.52 -0.10 0.00 0.02 0.00 0.00 54.13 53.57 1quw s LEU 5 Cb -0.13 -2.47 0.01 0.00 0.02 0.00 0.00 46.19 43.61 1quw s LEU 5 CO -0.07 -0.71 0.22 0.28 0.02 0.00 0.00 176.35 176.09 1quw s THR 6 N -2.38 0.11 0.16 5.49 -1.32 -1.26 -4.05 115.64 112.39 1quw s THR 6 Ca 0.52 -0.93 -0.04 0.00 -1.21 0.00 0.00 61.69 60.03 1quw s THR 6 Cb -0.08 -1.07 0.27 0.00 -1.51 0.00 0.00 72.50 70.11 1quw s THR 6 CO 0.31 -0.51 0.91 -0.90 -2.21 0.00 0.00 174.62 172.22 1quw n ASP 7 N 0.38 -0.20 -0.05 8.08 5.75 -1.26 0.13 116.55 129.38 1quw n ASP 7 Ca -0.17 1.00 -0.21 0.00 -0.01 0.00 0.00 54.79 55.40 1quw n ASP 7 Cb 0.60 -0.31 -0.13 0.00 -1.03 0.00 0.00 41.12 40.26 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 1.17 0.22 -0.06 2.12 0.00 -2.02 -3.31 119.26 117.39 1quw h ALA 8 Ca 0.29 -1.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.03 1quw h ALA 8 Cb 0.45 0.56 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 1quw h ALA 8 CO -0.60 0.73 -0.24 -0.97 0.00 0.00 0.00 179.25 178.18 1quw h ASN 9 N -0.64 0.09 -0.57 0.00 -1.24 -1.74 -2.85 115.58 108.63 1quw h ASN 9 Ca -0.30 -0.02 0.12 0.00 0.71 0.00 0.00 56.30 56.80 1quw h ASN 9 Cb 1.51 -0.02 -0.10 0.00 0.73 0.00 0.00 38.32 40.44 1quw h ASN 9 CO -0.06 0.34 -0.02 0.15 -1.29 0.00 0.00 177.43 176.55 1quw h PHE 10 N 0.09 -0.07 -0.41 0.67 3.04 0.94 0.61 116.94 121.80 1quw h PHE 10 Ca 0.01 0.04 -0.09 0.00 3.98 0.00 0.00 57.97 61.92 1quw h PHE 10 Cb 0.48 0.12 -0.02 0.00 2.56 0.00 0.00 35.95 39.09 1quw h PHE 10 CO 0.00 -0.16 -0.10 1.96 -2.02 0.00 0.00 178.31 177.99 1quw h GLN 11 N 0.10 0.72 0.00 1.11 4.20 -1.58 -2.56 115.11 117.10 1quw h GLN 11 Ca 0.29 -0.23 -0.18 0.00 0.06 0.00 0.00 58.65 58.60 1quw h GLN 11 Cb 0.46 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 28.15 1quw h GLN 11 CO -0.50 0.80 -0.85 0.37 -0.67 0.00 0.00 178.83 177.99 1quw h GLN 12 N 0.66 0.00 -0.60 1.46 4.15 -1.40 -3.30 115.11 116.07 1quw h GLN 12 Ca 0.12 0.00 -0.04 0.00 0.77 0.00 0.00 58.65 59.50 1quw h GLN 12 Cb 0.56 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.22 1quw h GLN 12 CO 0.03 0.85 0.24 0.00 -1.93 0.00 0.00 178.83 178.02 1quw h ALA 13 N 1.15 0.78 0.00 3.38 0.00 0.57 -2.91 119.26 122.24 1quw h ALA 13 Ca -0.01 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 1quw h ALA 13 Cb 1.59 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 19.14 1quw h ALA 13 CO 0.11 0.40 -0.14 -0.84 0.00 0.00 0.00 179.25 178.78 1quw h ILE 14 N 0.84 0.31 0.00 0.00 3.07 -1.57 -2.98 117.51 117.17 1quw h ILE 14 Ca 0.20 -1.00 -0.10 0.00 1.55 0.00 0.00 64.86 65.51 1quw h ILE 14 Cb 0.21 1.78 -0.01 0.00 -0.27 0.00 0.00 36.82 38.53 1quw h ILE 14 CO -0.02 0.14 -0.50 1.56 -1.05 0.00 0.00 178.15 178.28 1quw h GLN 15 N 0.00 0.00 0.00 0.16 4.20 -1.59 -2.21 115.11 115.67 1quw h GLN 15 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1quw h GLN 15 Cb 0.77 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.55 1quw h GLN 15 CO 0.02 0.50 0.00 0.41 -0.67 0.00 0.00 178.83 179.08 1quw n GLY 16 N 1.16 0.53 0.00 3.46 0.00 -1.12 -4.69 105.19 104.52 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 -0.40 0.00 -3.12 1.61 5.75 -1.26 -5.07 116.55 114.06 1quw n ASP 17 Ca 0.00 -0.50 -0.18 0.00 -0.01 0.00 0.00 54.79 54.11 1quw n ASP 17 Cb 0.00 0.00 0.15 0.00 -1.03 0.00 0.00 41.12 40.24 1quw n ASP 17 CO 0.00 0.00 0.00 2.29 -0.11 0.00 0.00 177.20 179.38 1quw n LYS 18 N -0.50 -2.47 -1.66 0.11 0.00 -1.26 -4.80 118.16 107.59 1quw n LYS 18 Ca 0.00 -1.00 -0.65 0.00 -0.00 0.00 0.00 58.31 56.66 1quw n LYS 18 Cb 0.00 -0.98 -0.09 0.00 -0.00 0.00 0.00 35.03 33.96 1quw n LYS 18 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.40 175.10 1quw n PRO 19 N -3.57 0.00 -3.84 -1.58 -0.02 -1.26 -4.82 135.00 119.91 1quw n PRO 19 Ca 0.09 0.00 -0.36 0.00 -2.02 0.00 0.00 63.50 61.21 1quw n PRO 19 Cb 0.35 -1.49 -0.13 0.00 -0.02 0.00 0.00 33.50 32.20 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 2.03 3.61 -0.46 -1.45 1.01 0.37 -2.62 120.40 122.89 1quw s VAL 20 Ca 1.00 -0.64 -0.24 0.00 0.00 0.00 0.00 61.98 62.10 1quw s VAL 20 Cb -1.42 -2.77 0.03 0.00 0.00 0.00 0.00 36.38 32.22 1quw s VAL 20 CO 0.73 0.24 0.82 -0.22 0.00 0.00 0.00 175.10 176.67 1quw s LEU 21 N 1.47 4.21 0.00 3.92 2.96 -0.44 -1.34 118.68 129.47 1quw s LEU 21 Ca 0.03 -0.10 -0.27 0.00 -0.22 0.00 0.00 54.13 53.58 1quw s LEU 21 Cb -0.16 -2.99 -0.04 0.00 0.50 0.00 0.00 46.19 43.50 1quw s LEU 21 CO -0.01 -0.97 0.83 -0.69 -1.32 0.00 0.00 176.35 174.20 1quw s VAL 22 N 3.42 4.84 -0.29 1.68 1.01 0.30 0.24 120.40 131.59 1quw s VAL 22 Ca 0.31 1.75 -0.05 0.00 0.00 0.00 0.00 61.98 63.99 1quw s VAL 22 Cb -0.12 -4.18 0.03 0.00 0.00 0.00 0.00 36.38 32.11 1quw s VAL 22 CO 0.23 0.26 0.04 -1.81 0.00 0.00 0.00 175.10 173.82 1quw s ASP 23 N 0.53 4.94 -0.27 3.32 1.01 0.14 -1.21 116.67 125.13 1quw s ASP 23 Ca 0.43 -0.92 -0.23 0.00 0.71 0.00 0.00 52.55 52.54 1quw s ASP 23 Cb -0.20 -1.80 -0.01 0.00 1.01 0.00 0.00 42.92 41.92 1quw s ASP 23 CO 0.24 -0.22 0.77 -0.36 0.21 0.00 0.00 175.17 175.81 1quw s PHE 24 N 1.40 3.26 0.34 4.23 0.08 0.94 -2.98 117.98 125.25 1quw s PHE 24 Ca 0.00 0.93 -0.05 0.00 0.12 0.00 0.00 56.93 57.93 1quw s PHE 24 Cb -0.18 -3.08 0.01 0.00 -0.57 0.00 0.00 43.02 39.20 1quw s PHE 24 CO 0.00 -0.46 0.51 1.67 -0.10 0.00 0.00 175.22 176.85 1quw s TRP 25 N 2.82 0.88 0.04 0.36 1.48 -1.19 -2.29 118.94 121.05 1quw s TRP 25 Ca 0.32 -1.18 -0.01 0.00 -1.06 0.00 0.00 56.10 54.16 1quw s TRP 25 Cb -0.15 0.06 -0.03 0.00 -1.16 0.00 0.00 33.47 32.19 1quw s TRP 25 CO 0.10 -1.18 -0.01 0.00 -4.06 0.00 0.00 176.95 171.80 1quw s ALA 26 N -3.04 0.36 0.24 2.67 0.00 -1.26 -2.30 121.76 118.43 1quw s ALA 26 Ca 0.28 -1.01 0.15 0.00 0.00 0.00 0.00 51.96 51.38 1quw s ALA 26 Cb -0.01 0.25 0.59 0.00 0.00 0.00 0.00 23.12 23.95 1quw s ALA 26 CO 0.18 -0.33 1.71 0.00 0.00 0.00 0.00 175.76 177.33 1quw h ALA 27 N 3.49 1.05 -0.00 0.00 0.00 -2.01 -2.23 119.26 119.56 1quw h ALA 27 Ca -0.33 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.16 1quw h ALA 27 Cb 1.16 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1quw h ALA 27 CO 0.59 0.57 -0.06 -2.67 0.00 0.00 0.00 179.25 177.68 1quw n TRP 28 N -3.71 0.00 -2.14 0.00 4.27 -1.26 -4.91 117.44 109.69 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 0.53 -0.40 -0.02 0.00 -1.36 0.00 0.00 31.31 30.06 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 2.98 0.00 1.41 0.00 0.00 -1.91 -3.40 103.07 102.15 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 0.64 0.00 0.00 -1.55 0.00 0.00 0.00 176.54 175.63 1quw n PRO 31 N -4.60 0.44 0.18 4.80 -0.04 -1.26 -2.24 135.00 132.28 1quw n PRO 31 Ca -0.10 0.05 0.05 0.00 -0.04 0.00 0.00 63.50 63.47 1quw n PRO 31 Cb 0.30 -1.50 0.33 0.00 -0.04 0.00 0.00 33.50 32.59 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 0.10 0.00 -0.00 -1.68 -2.56 114.38 110.25 1quw h ARG 33 Ca -0.00 0.00 -0.00 0.00 -0.50 0.00 0.00 59.98 59.47 1quw h ARG 33 Cb 0.89 0.00 -0.00 0.00 0.00 0.00 0.00 29.97 30.86 1quw h ARG 33 CO 0.05 0.01 -0.06 0.52 0.00 0.00 0.00 179.97 180.49 1quw h MET 34 N 0.00 -0.14 -0.06 0.04 2.86 -1.66 -2.64 114.93 113.33 1quw h MET 34 Ca -0.00 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 1quw h MET 34 Cb 0.36 0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.05 1quw h MET 34 CO 0.00 -0.10 0.00 0.00 1.06 0.00 0.00 176.91 177.88 1quw n MET 35 N -5.16 1.55 -0.02 1.72 0.00 -1.16 -4.26 117.12 109.79 1quw n MET 35 Ca -0.08 -0.82 -0.09 0.00 0.00 0.00 0.00 57.70 56.71 1quw n MET 35 Cb 0.09 -1.44 -0.03 0.00 0.00 0.00 0.00 33.22 31.84 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 4.15 -0.19 0.00 3.17 0.00 -1.06 0.10 119.26 125.42 1quw h ALA 36 Ca 0.00 0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 1quw h ALA 36 Cb 0.40 0.50 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 1quw h ALA 36 CO 0.00 -0.70 -0.41 -1.00 0.00 0.00 0.00 179.25 177.14 1quw h PRO 37 N -0.29 0.00 -0.00 0.00 0.13 -1.74 -2.73 132.00 127.37 1quw h PRO 37 Ca 0.12 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 65.08 1quw h PRO 37 Cb 0.47 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.58 1quw h PRO 37 CO -0.35 0.41 -0.78 -0.24 -0.23 0.00 0.00 178.00 176.82 1quw h VAL 38 N 0.00 1.53 -0.01 1.56 3.04 -1.70 -1.75 116.25 118.92 1quw h VAL 38 Ca -0.00 -2.60 -0.12 0.00 -1.01 0.00 0.00 66.70 62.97 1quw h VAL 38 Cb 1.04 2.41 -0.02 0.00 -2.01 0.00 0.00 31.29 32.71 1quw h VAL 38 CO 0.05 0.75 -0.54 -0.07 -1.01 0.00 0.00 177.57 176.75 1quw h LEU 39 N 0.02 0.04 -0.84 3.16 3.38 -0.92 -0.43 115.31 119.73 1quw h LEU 39 Ca -0.01 -0.02 -0.12 0.00 0.09 0.00 0.00 57.88 57.82 1quw h LEU 39 Cb 1.37 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 42.10 1quw h LEU 39 CO 0.10 0.57 -0.46 -0.33 0.09 0.00 0.00 178.44 178.42 1quw h GLU 40 N 0.03 0.27 -0.00 1.13 4.39 -1.21 -1.07 114.58 118.12 1quw h GLU 40 Ca -0.00 -0.14 -0.08 0.00 0.34 0.00 0.00 59.36 59.47 1quw h GLU 40 Cb 0.96 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.61 1quw h GLU 40 CO 0.07 0.68 -0.38 0.93 -1.16 0.00 0.00 179.01 179.15 1quw h GLU 41 N 0.22 0.01 -0.23 2.33 5.08 -1.01 -2.88 114.58 118.10 1quw h GLU 41 Ca 0.01 -0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.26 1quw h GLU 41 Cb 0.90 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.15 1quw h GLU 41 CO 0.07 0.39 -0.31 0.35 -1.00 0.00 0.00 179.01 178.51 1quw h PHE 42 N 0.01 0.76 0.00 4.33 3.57 -0.21 -2.12 116.94 123.28 1quw h PHE 42 Ca -0.00 -0.25 0.00 0.00 3.53 0.00 0.00 57.97 61.25 1quw h PHE 42 Cb 0.68 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 39.27 1quw h PHE 42 CO 0.00 0.98 0.00 0.00 -2.23 0.00 0.00 178.31 177.06 1quw h ALA 43 N 0.65 1.00 0.01 2.41 0.00 -1.26 -2.07 119.26 120.00 1quw h ALA 43 Ca 0.03 0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.75 1quw h ALA 43 Cb 0.89 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 1quw h ALA 43 CO 0.07 0.00 -0.88 1.49 0.00 0.00 0.00 179.25 179.93 1quw h GLU 44 N 0.00 0.06 0.00 0.00 4.81 -1.23 -1.68 114.58 116.53 1quw h GLU 44 Ca 0.00 -0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 59.16 1quw h GLU 44 Cb 0.42 0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.82 1quw h GLU 44 CO 0.00 0.90 -0.01 0.00 -0.73 0.00 0.00 179.01 179.16 1quw h ALA 45 N 1.08 0.00 0.00 2.92 0.00 -0.85 -3.40 119.26 119.01 1quw h ALA 45 Ca -0.02 -0.39 -0.05 0.00 0.00 0.00 0.00 54.91 54.45 1quw h ALA 45 Cb 1.54 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.33 1quw h ALA 45 CO 0.12 0.01 -0.30 0.45 0.00 0.00 0.00 179.25 179.53 1quw h HIS 46 N -1.00 0.00 0.00 0.00 3.86 -1.55 -3.46 115.15 112.99 1quw h HIS 46 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1quw h HIS 46 Cb 0.77 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.24 1quw h HIS 46 CO 0.21 0.86 0.00 0.00 0.86 0.00 0.00 177.93 179.86 1quw n ALA 47 N -2.88 0.00 0.51 2.45 0.00 -0.63 -3.30 120.51 116.65 1quw n ALA 47 Ca -0.13 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.29 1quw n ALA 47 Cb 0.42 0.00 0.07 0.00 0.00 0.00 0.00 19.45 19.94 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 2.64 0.00 0.00 5.68 -1.26 -3.94 116.55 122.89 1quw n ASP 48 Ca 0.00 -2.30 0.00 0.00 -0.50 0.00 0.00 54.79 51.99 1quw n ASP 48 Cb 0.00 -0.56 0.00 0.00 -1.14 0.00 0.00 41.12 39.42 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 0.13 0.23 -4.03 0.11 3.00 -1.21 -5.06 118.16 111.33 1quw n LYS 49 Ca 0.10 0.00 -0.32 0.00 -0.00 0.00 0.00 58.31 58.09 1quw n LYS 49 Cb 0.62 -0.67 -0.06 0.00 0.00 0.00 0.00 35.03 34.92 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 -1.35 4.89 -0.61 3.15 -7.23 -1.25 -4.32 120.40 113.69 1quw s VAL 50 Ca 0.00 -0.43 -0.07 0.00 -1.81 0.00 0.00 61.98 59.67 1quw s VAL 50 Cb 0.00 -3.29 0.16 0.00 0.56 0.00 0.00 36.38 33.81 1quw s VAL 50 CO 0.00 0.28 0.46 -0.89 -0.31 0.00 0.00 175.10 174.64 1quw s THR 51 N -1.29 4.19 -0.94 5.32 2.01 -1.08 -4.70 115.64 119.15 1quw s THR 51 Ca 0.26 -2.48 -0.24 0.00 0.31 0.00 0.00 61.69 59.55 1quw s THR 51 Cb -0.12 -3.71 -0.00 0.00 0.01 0.00 0.00 72.50 68.67 1quw s THR 51 CO 0.18 -0.87 1.73 -0.69 -0.69 0.00 0.00 174.62 174.28 1quw s VAL 52 N 0.46 3.65 0.45 3.82 1.01 -1.26 -1.33 120.40 127.20 1quw s VAL 52 Ca 0.13 -0.50 0.08 0.00 0.00 0.00 0.00 61.98 61.70 1quw s VAL 52 Cb -0.20 -4.46 0.02 0.00 0.00 0.00 0.00 36.38 31.75 1quw s VAL 52 CO -0.04 -1.37 0.58 0.00 0.00 0.00 0.00 175.10 174.27 1quw s ALA 53 N 7.86 4.50 -0.17 5.51 0.00 0.14 -1.52 121.76 138.09 1quw s ALA 53 Ca 0.59 -1.78 -0.04 0.00 0.00 0.00 0.00 51.96 50.73 1quw s ALA 53 Cb -0.04 -1.50 0.08 0.00 0.00 0.00 0.00 23.12 21.66 1quw s ALA 53 CO -0.04 -0.39 0.26 0.15 0.00 0.00 0.00 175.76 175.75 1quw s LYS 54 N -4.38 0.18 -0.19 0.00 1.02 -0.30 0.28 119.74 116.36 1quw s LYS 54 Ca 0.55 0.53 -0.13 0.00 0.02 0.00 0.00 55.97 56.93 1quw s LYS 54 Cb -0.08 -0.50 -0.05 0.00 -0.52 0.00 0.00 37.83 36.68 1quw s LYS 54 CO 0.33 -0.46 0.28 -1.17 -0.92 0.00 0.00 175.35 173.42 1quw s LEU 55 N 2.40 4.20 -0.34 3.17 1.98 -1.16 -0.78 118.68 128.15 1quw s LEU 55 Ca 0.05 0.42 -0.27 0.00 -2.89 0.00 0.00 54.13 51.44 1quw s LEU 55 Cb -0.14 -2.34 0.01 0.00 0.66 0.00 0.00 46.19 44.39 1quw s LEU 55 CO -0.11 0.06 0.98 0.20 -1.89 0.00 0.00 176.35 175.59 1quw s ASN 56 N 0.69 6.80 0.47 3.68 -0.87 -1.26 -3.19 114.94 121.26 1quw s ASN 56 Ca 0.15 0.82 0.26 0.00 -1.57 0.00 0.00 52.86 52.51 1quw s ASN 56 Cb -0.13 -2.49 1.09 0.00 -0.02 0.00 0.00 41.25 39.69 1quw s ASN 56 CO 0.04 -0.84 1.90 -0.37 -2.57 0.00 0.00 177.10 175.26 1quw h VAL 57 N 5.75 0.50 -0.01 1.60 -1.51 -1.68 -0.13 116.25 120.77 1quw h VAL 57 Ca -0.22 -0.93 -0.04 0.00 -1.23 0.00 0.00 66.70 64.27 1quw h VAL 57 Cb 1.07 1.65 0.00 0.00 -2.13 0.00 0.00 31.29 31.88 1quw h VAL 57 CO 0.99 0.18 -0.16 -0.78 -1.23 0.00 0.00 177.57 176.57 1quw h ASP 58 N 0.00 0.16 -0.35 4.19 3.58 -1.90 -3.34 116.42 118.76 1quw h ASP 58 Ca -0.00 -0.75 -0.11 0.00 0.42 0.00 0.00 57.03 56.59 1quw h ASP 58 Cb 0.63 -0.05 -0.01 0.00 1.72 0.00 0.00 39.33 41.63 1quw h ASP 58 CO 0.02 0.88 -0.20 -0.08 -2.88 0.00 0.00 179.24 176.98 1quw h GLU 59 N -0.55 0.75 -4.60 0.28 4.81 -1.93 -3.41 114.58 109.93 1quw h GLU 59 Ca -0.02 -0.34 -0.69 0.00 -0.13 0.00 0.00 59.36 58.17 1quw h GLU 59 Cb 0.90 -0.01 -0.33 0.00 0.63 0.00 0.00 28.75 29.94 1quw h GLU 59 CO 0.03 0.96 -0.60 -0.80 -0.73 0.00 0.00 179.01 177.87 1quw s ASN 60 N -6.49 5.18 0.10 1.04 0.01 -0.07 -4.95 114.94 109.75 1quw s ASN 60 Ca -0.12 -1.61 0.23 0.00 -0.71 0.00 0.00 52.86 50.65 1quw s ASN 60 Cb 0.10 -1.81 0.08 0.00 0.41 0.00 0.00 41.25 40.02 1quw s ASN 60 CO 0.83 -0.42 1.06 -0.81 -1.51 0.00 0.00 177.10 176.25 1quw n PRO 61 N 4.66 0.39 0.03 -0.60 -0.04 -1.26 -4.04 135.00 134.15 1quw n PRO 61 Ca -0.08 0.03 -0.05 0.00 -0.04 0.00 0.00 63.50 63.36 1quw n PRO 61 Cb 0.43 -1.67 -0.11 0.00 -0.04 0.00 0.00 33.50 32.11 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 0.00 -0.11 0.54 -0.00 -1.92 -2.69 114.58 110.40 1quw h GLU 62 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 59.36 59.25 1quw h GLU 62 Cb 0.82 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.57 1quw h GLU 62 CO 0.00 0.63 -0.36 1.15 -0.00 0.00 0.00 179.01 180.43 1quw h THR 63 N 0.00 1.38 0.00 -1.06 2.02 -1.93 -0.20 112.91 113.12 1quw h THR 63 Ca -0.14 -1.69 -0.05 0.00 0.77 0.00 0.00 66.41 65.30 1quw h THR 63 Cb 1.79 2.16 -0.01 0.00 -1.74 0.00 0.00 68.15 70.36 1quw h THR 63 CO 0.09 0.50 -0.24 0.00 0.37 0.00 0.00 175.52 176.24 1quw h THR 64 N 0.01 1.13 0.00 3.16 1.03 -1.70 -2.53 112.91 114.02 1quw h THR 64 Ca -0.01 -0.82 -0.19 0.00 -0.01 0.00 0.00 66.41 65.38 1quw h THR 64 Cb 0.99 1.45 -0.03 0.00 -1.07 0.00 0.00 68.15 69.49 1quw h THR 64 CO 0.08 0.23 -1.03 0.77 -0.01 0.00 0.00 175.52 175.56 1quw h SER 65 N 0.00 0.00 -0.12 0.00 4.64 -1.45 -0.86 113.55 115.76 1quw h SER 65 Ca -0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1quw h SER 65 Cb 0.43 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.51 1quw h SER 65 CO 0.03 0.80 0.06 -0.61 -0.87 0.00 0.00 176.83 176.24 1quw h GLN 66 N 0.00 0.17 0.15 4.77 4.15 -0.61 -3.20 115.11 120.54 1quw h GLN 66 Ca -0.07 -0.02 -0.31 0.00 0.77 0.00 0.00 58.65 59.01 1quw h GLN 66 Cb 1.67 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 29.34 1quw h GLN 66 CO 0.09 0.23 -1.51 0.74 -1.93 0.00 0.00 178.83 176.45 1quw h PHE 67 N 0.07 0.58 -0.78 3.99 0.04 -1.62 -3.50 116.94 115.72 1quw h PHE 67 Ca 0.04 -0.42 0.00 0.00 2.80 0.00 0.00 57.97 60.39 1quw h PHE 67 Cb 0.12 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.24 1quw h PHE 67 CO -0.03 1.44 0.00 0.41 -0.60 0.00 0.00 178.31 179.53 1quw n GLY 68 N 1.68 0.10 3.41 -1.45 0.00 -0.41 -5.00 105.19 103.51 1quw n GLY 68 Ca -0.16 -0.53 -0.44 0.00 0.00 0.00 0.00 46.02 44.88 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 -0.21 4.77 -0.15 -0.61 -1.09 -0.70 -4.85 121.20 118.36 1quw s ILE 69 Ca 0.00 -1.16 0.16 0.00 -2.23 0.00 0.00 60.65 57.42 1quw s ILE 69 Cb 0.00 -4.61 0.01 0.00 -1.58 0.00 0.00 42.46 36.28 1quw s ILE 69 CO 0.00 -1.29 1.26 0.24 -1.23 0.00 0.00 174.94 173.92 1quw h MET 70 N 9.04 0.00 -2.25 2.79 2.86 -1.94 -3.44 114.93 121.98 1quw h MET 70 Ca -0.14 0.00 -0.20 0.00 -2.06 0.00 0.00 59.70 57.31 1quw h MET 70 Cb 1.06 0.00 -0.32 0.00 0.06 0.00 0.00 31.60 32.41 1quw h MET 70 CO 1.09 0.42 -0.51 -1.12 1.06 0.00 0.00 176.91 177.84 1quw s SER 71 N -6.23 0.51 0.37 1.22 0.01 -1.26 -5.14 113.70 103.19 1quw s SER 71 Ca 0.02 0.23 -0.21 0.00 1.31 0.00 0.00 55.95 57.29 1quw s SER 71 Cb 0.08 0.89 -0.10 0.00 0.21 0.00 0.00 66.02 67.10 1quw s SER 71 CO 0.77 -0.29 0.90 0.27 0.41 0.00 0.00 173.24 175.29 1quw s ILE 72 N 2.48 4.39 -0.01 1.44 -5.25 -1.26 -3.50 121.20 119.49 1quw s ILE 72 Ca 0.08 1.49 -0.23 0.00 -0.99 0.00 0.00 60.65 61.00 1quw s ILE 72 Cb -0.15 -3.74 -0.05 0.00 2.95 0.00 0.00 42.46 41.48 1quw s ILE 72 CO -0.14 -0.13 0.70 -2.16 -1.79 0.00 0.00 174.94 171.42 1quw s PRO 73 N -2.74 4.43 -0.21 0.37 0.04 -1.26 -4.68 135.00 130.94 1quw s PRO 73 Ca 0.56 0.91 -0.08 0.00 0.04 0.00 0.00 61.00 62.43 1quw s PRO 73 Cb -0.12 -3.39 -0.04 0.00 0.04 0.00 0.00 34.50 30.98 1quw s PRO 73 CO 0.17 0.21 0.09 0.99 0.04 0.00 0.00 177.00 178.51 1quw s THR 74 N 0.28 4.87 -0.21 1.26 2.01 -0.97 -0.91 115.64 121.97 1quw s THR 74 Ca 0.36 0.00 -0.07 0.00 0.31 0.00 0.00 61.69 62.30 1quw s THR 74 Cb -0.19 -3.23 -0.03 0.00 0.01 0.00 0.00 72.50 69.05 1quw s THR 74 CO 0.20 0.40 0.05 -0.76 -0.69 0.00 0.00 174.62 173.81 1quw s LEU 75 N 0.83 3.56 -0.05 4.42 2.01 -0.64 -0.04 118.68 128.78 1quw s LEU 75 Ca 0.05 -0.07 0.01 0.00 0.01 0.00 0.00 54.13 54.13 1quw s LEU 75 Cb -0.13 -1.92 0.02 0.00 0.01 0.00 0.00 46.19 44.17 1quw s LEU 75 CO 0.02 0.09 -0.06 -0.63 1.01 0.00 0.00 176.35 176.78 1quw s ILE 76 N 0.89 0.65 -0.25 -0.59 1.01 -0.35 -2.74 121.20 119.82 1quw s ILE 76 Ca 0.03 -0.20 -0.12 0.00 0.00 0.00 0.00 60.65 60.37 1quw s ILE 76 Cb -0.14 -0.65 -0.05 0.00 0.01 0.00 0.00 42.46 41.63 1quw s ILE 76 CO 0.02 0.25 0.21 -0.22 0.00 0.00 0.00 174.94 175.20 1quw s LEU 77 N 0.82 4.08 -0.09 2.97 1.98 -1.19 -0.54 118.68 126.71 1quw s LEU 77 Ca -0.12 0.13 -0.01 0.00 -2.89 0.00 0.00 54.13 51.24 1quw s LEU 77 Cb -0.15 -2.18 -0.03 0.00 0.66 0.00 0.00 46.19 44.49 1quw s LEU 77 CO 0.01 -0.01 -0.03 -0.36 -1.89 0.00 0.00 176.35 174.07 1quw s PHE 78 N 1.39 3.06 0.00 5.38 0.40 -0.45 -0.38 117.98 127.38 1quw s PHE 78 Ca 0.09 0.04 0.00 0.00 -0.60 0.00 0.00 56.93 56.46 1quw s PHE 78 Cb -0.15 -1.80 0.00 0.00 0.51 0.00 0.00 43.02 41.59 1quw s PHE 78 CO 0.07 0.32 0.00 1.17 0.70 0.00 0.00 175.22 177.49 1quw n LYS 79 N 2.45 0.00 -2.75 0.44 4.81 -1.00 -0.48 118.16 121.63 1quw n LYS 79 Ca -0.18 0.00 -0.28 0.00 -0.87 0.00 0.00 58.31 56.98 1quw n LYS 79 Cb 0.53 -0.30 -0.02 0.00 0.02 0.00 0.00 35.03 35.26 1quw n LYS 79 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1quw n GLY 80 N 2.23 5.77 1.80 3.14 0.00 -1.26 -4.43 105.19 112.44 1quw n GLY 80 Ca 0.00 -2.76 -0.05 0.00 0.00 0.00 0.00 46.02 43.21 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 -0.32 0.52 3.51 -0.02 0.00 -0.83 -4.81 105.19 103.23 1quw n GLY 81 Ca 0.35 -0.44 -0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 -4.94 0.33 -0.11 1.61 3.00 -1.26 -4.97 118.95 112.61 1quw s ARG 82 Ca 0.08 0.72 -0.30 0.00 -1.00 0.00 0.00 55.73 55.23 1quw s ARG 82 Cb -0.04 0.30 -0.03 0.00 0.00 0.00 0.00 34.95 35.19 1quw s ARG 82 CO 0.15 -0.09 1.31 -1.25 0.00 0.00 0.00 175.30 175.42 1quw s PRO 83 N 2.01 4.26 -0.05 5.12 0.04 -1.26 -2.38 135.00 142.73 1quw s PRO 83 Ca -0.05 1.76 -0.23 0.00 0.04 0.00 0.00 61.00 62.52 1quw s PRO 83 Cb -0.05 -3.73 -0.26 0.00 0.04 0.00 0.00 34.50 30.50 1quw s PRO 83 CO -0.16 -0.65 0.97 -0.39 0.04 0.00 0.00 177.00 176.80 1quw h VAL 84 N 5.34 1.54 -4.10 -0.36 -1.51 -1.08 -3.48 116.25 112.59 1quw h VAL 84 Ca -0.31 -2.22 -0.14 0.00 -1.23 0.00 0.00 66.70 62.81 1quw h VAL 84 Cb 1.13 2.95 -0.13 0.00 -2.13 0.00 0.00 31.29 33.11 1quw h VAL 84 CO 0.94 0.62 -0.45 -0.54 -1.23 0.00 0.00 177.57 176.91 1quw s LYS 85 N -2.80 1.07 -0.15 5.19 1.02 -1.25 -5.05 119.74 117.77 1quw s LYS 85 Ca -0.15 -1.28 -0.04 0.00 0.02 0.00 0.00 55.97 54.51 1quw s LYS 85 Cb 0.01 0.32 0.06 0.00 -0.52 0.00 0.00 37.83 37.70 1quw s LYS 85 CO 0.78 -0.36 0.09 -1.14 -0.92 0.00 0.00 175.35 173.80 1quw s GLN 86 N -4.00 0.05 0.17 1.68 0.74 -1.26 -3.18 119.66 113.85 1quw s GLN 86 Ca 0.20 0.01 0.09 0.00 0.05 0.00 0.00 55.36 55.71 1quw s GLN 86 Cb 0.05 -1.58 -0.04 0.00 1.10 0.00 0.00 33.01 32.54 1quw s GLN 86 CO 0.01 -0.61 -0.19 -0.48 -0.55 0.00 0.00 175.29 173.46 1quw s LEU 87 N 2.16 2.43 0.21 3.68 0.05 -1.11 -5.06 118.68 121.04 1quw s LEU 87 Ca 0.03 -0.86 0.02 0.00 0.05 0.00 0.00 54.13 53.37 1quw s LEU 87 Cb -0.15 -0.89 -0.05 0.00 -2.05 0.00 0.00 46.19 43.05 1quw s LEU 87 CO -0.08 -0.01 0.02 0.27 -0.55 0.00 0.00 176.35 176.00 1quw s ILE 88 N -1.96 0.74 0.00 1.48 -0.00 -1.26 -1.62 121.20 118.57 1quw s ILE 88 Ca 0.16 -2.00 0.00 0.00 -0.00 0.00 0.00 60.65 58.82 1quw s ILE 88 Cb -0.06 -2.29 0.00 0.00 -0.00 0.00 0.00 42.46 40.11 1quw s ILE 88 CO 0.07 -0.33 0.00 0.61 -0.00 0.00 0.00 174.94 175.29 1quw n GLY 89 N -0.34 -1.09 3.71 6.27 0.00 -0.09 -4.77 105.19 108.89 1quw n GLY 89 Ca -0.05 -1.62 -0.42 0.00 0.00 0.00 0.00 46.02 43.93 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 -1.25 3.18 -0.04 1.61 5.04 -1.26 -4.58 117.35 120.05 1quw s TYR 90 Ca 0.00 0.93 0.00 0.00 -2.44 0.00 0.00 57.07 55.56 1quw s TYR 90 Cb 0.00 -3.68 0.03 0.00 0.35 0.00 0.00 41.96 38.65 1quw s TYR 90 CO 0.00 -2.40 -0.01 1.14 -1.34 0.00 0.00 175.55 172.94 1quw s GLN 91 N 1.29 0.50 1.09 4.97 -2.07 -1.26 -5.11 119.66 119.06 1quw s GLN 91 Ca 0.65 0.03 -0.14 0.00 -1.82 0.00 0.00 55.36 54.08 1quw s GLN 91 Cb -0.36 -0.67 0.17 0.00 -1.09 0.00 0.00 33.01 31.06 1quw s GLN 91 CO 0.30 -0.15 0.64 -2.30 -1.32 0.00 0.00 175.29 172.46 1quw n PRO 92 N 4.31 -1.57 -0.00 9.60 -0.02 -1.26 -4.67 135.00 141.39 1quw n PRO 92 Ca -0.22 -0.42 0.09 0.00 -2.02 0.00 0.00 63.50 60.93 1quw n PRO 92 Cb 0.50 -2.01 0.51 0.00 -0.02 0.00 0.00 33.50 32.48 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 -2.21 0.36 -0.44 -0.52 3.64 -1.99 -1.67 116.57 113.74 1quw h LYS 93 Ca -0.54 -0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 58.75 1quw h LYS 93 Cb 1.32 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 33.04 1quw h LYS 93 CO 0.42 0.24 -0.04 0.93 -2.27 0.00 0.00 179.45 178.74 1quw h GLU 94 N 0.37 0.73 -0.29 1.90 4.39 -1.99 0.17 114.58 119.87 1quw h GLU 94 Ca 0.20 -0.20 -0.17 0.00 0.34 0.00 0.00 59.36 59.52 1quw h GLU 94 Cb 0.30 -0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 28.87 1quw h GLU 94 CO -0.05 0.77 -0.47 1.96 -1.16 0.00 0.00 179.01 180.06 1quw h GLN 95 N 0.68 0.83 -0.48 2.33 1.08 -1.65 -2.46 115.11 115.44 1quw h GLN 95 Ca 0.13 -0.50 -0.04 0.00 -1.45 0.00 0.00 58.65 56.78 1quw h GLN 95 Cb 0.47 0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 27.93 1quw h GLN 95 CO 0.02 1.14 0.13 -0.07 -0.95 0.00 0.00 178.83 179.10 1quw h LEU 96 N 0.59 0.71 -0.30 1.46 3.38 -1.11 -2.38 115.31 117.66 1quw h LEU 96 Ca 0.02 -0.22 -0.15 0.00 0.09 0.00 0.00 57.88 57.62 1quw h LEU 96 Cb 1.07 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.63 1quw h LEU 96 CO 0.11 0.75 -0.40 -0.33 0.09 0.00 0.00 178.44 178.65 1quw h GLU 97 N 0.64 0.80 -0.24 1.13 5.08 -0.67 0.18 114.58 121.51 1quw h GLU 97 Ca 0.15 -0.46 -0.01 0.00 -1.00 0.00 0.00 59.36 58.04 1quw h GLU 97 Cb 0.30 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 1quw h GLU 97 CO -0.00 1.09 0.13 0.00 -1.00 0.00 0.00 179.01 179.23 1quw h ALA 98 N 0.70 0.31 0.22 3.43 0.00 -1.47 0.37 119.26 122.81 1quw h ALA 98 Ca 0.03 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1quw h ALA 98 Cb 1.00 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 1quw h ALA 98 CO 0.09 -0.15 -0.17 0.37 0.00 0.00 0.00 179.25 179.40 1quw h GLN 99 N 0.27 -0.38 0.00 0.00 5.75 -1.37 -3.24 115.11 116.14 1quw h GLN 99 Ca 0.08 0.03 -0.17 0.00 -0.15 0.00 0.00 58.65 58.44 1quw h GLN 99 Cb 0.09 0.09 -0.03 0.00 1.07 0.00 0.00 27.48 28.70 1quw h GLN 99 CO -0.01 -0.25 -0.87 -0.07 -2.65 0.00 0.00 178.83 174.97 1quw h LEU 100 N -0.40 0.00 -1.23 -2.39 3.38 -0.49 -3.09 115.31 111.10 1quw h LEU 100 Ca -0.01 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.03 1quw h LEU 100 Cb 0.35 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.05 1quw h LEU 100 CO -0.01 0.78 0.55 0.00 0.09 0.00 0.00 178.44 179.85 1quw h ALA 101 N 1.22 1.61 -0.53 1.53 0.00 -0.33 -0.44 119.26 122.31 1quw h ALA 101 Ca -0.03 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1quw h ALA 101 Cb 1.62 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 19.16 1quw h ALA 101 CO 0.10 0.25 0.27 0.22 0.00 0.00 0.00 179.25 180.09 1quw h ASP 102 N 0.90 0.68 1.31 0.00 3.58 -1.56 -3.12 116.42 118.22 1quw h ASP 102 Ca 0.37 -0.11 -0.08 0.00 0.42 0.00 0.00 57.03 57.63 1quw h ASP 102 Cb 0.28 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 41.14 1quw h ASP 102 CO -0.14 0.60 -0.72 -0.37 -2.88 0.00 0.00 179.24 175.73 1quw h VAL 103 N 0.71 0.46 0.00 2.25 -1.51 -1.54 -3.36 116.25 113.27 1quw h VAL 103 Ca 0.19 -1.73 -0.14 0.00 -1.23 0.00 0.00 66.70 63.79 1quw h VAL 103 Cb 0.09 2.09 -0.02 0.00 -2.13 0.00 0.00 31.29 31.32 1quw h VAL 103 CO -0.03 0.26 -0.65 -0.07 -1.23 0.00 0.00 177.57 175.86 1quw h LEU 104 N 0.00 0.00 0.00 4.19 3.38 -1.02 -3.48 115.31 118.38 1quw h LEU 104 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1quw h LEU 104 Cb 1.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.05 1quw h LEU 104 CO 0.04 0.65 0.00 0.00 0.09 0.00 0.00 178.44 179.21