#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 5.13 -0.19 0.00 -4.23 -1.26 -4.54 115.64 110.55 1quw s THR 2 Ca 0.00 -0.23 -0.01 0.00 -1.18 0.00 0.00 61.69 60.27 1quw s THR 2 Cb 0.00 -3.74 0.00 0.00 1.34 0.00 0.00 72.50 70.10 1quw s THR 2 CO 0.00 -0.26 -0.12 -0.32 -0.54 0.00 0.00 174.62 173.38 1quw s MET 3 N -3.48 3.20 -0.28 3.99 -2.45 -0.63 -4.98 119.30 114.66 1quw s MET 3 Ca 0.40 -0.73 -0.23 0.00 -1.25 0.00 0.00 55.69 53.89 1quw s MET 3 Cb -0.11 -2.77 -0.01 0.00 1.25 0.00 0.00 34.83 33.20 1quw s MET 3 CO 0.30 -0.16 0.74 0.99 1.05 0.00 0.00 175.02 177.94 1quw s THR 4 N 1.28 4.87 0.58 10.11 2.01 -1.26 -0.85 115.64 132.37 1quw s THR 4 Ca 0.03 1.22 0.06 0.00 0.31 0.00 0.00 61.69 63.32 1quw s THR 4 Cb -0.14 -4.07 0.08 0.00 0.01 0.00 0.00 72.50 68.38 1quw s THR 4 CO -0.06 -0.13 0.80 -0.76 -0.69 0.00 0.00 174.62 173.78 1quw s LEU 5 N 2.78 3.20 0.26 4.42 1.02 -0.36 -4.87 118.68 125.12 1quw s LEU 5 Ca 0.31 -0.57 -0.19 0.00 0.02 0.00 0.00 54.13 53.69 1quw s LEU 5 Cb -0.15 -2.03 0.02 0.00 0.02 0.00 0.00 46.19 44.05 1quw s LEU 5 CO 0.10 -1.34 0.64 0.28 0.02 0.00 0.00 176.35 176.06 1quw s THR 6 N -2.73 0.00 0.27 5.49 -1.32 -1.26 -4.54 115.64 111.55 1quw s THR 6 Ca 0.61 -1.00 -0.01 0.00 -1.21 0.00 0.00 61.69 60.07 1quw s THR 6 Cb -0.07 -1.94 0.39 0.00 -1.51 0.00 0.00 72.50 69.37 1quw s THR 6 CO 0.39 -0.01 1.40 -0.90 -2.21 0.00 0.00 174.62 173.29 1quw n ASP 7 N -0.43 -0.18 -0.04 8.08 5.75 -1.26 0.85 116.55 129.32 1quw n ASP 7 Ca -0.05 1.53 -0.20 0.00 -0.01 0.00 0.00 54.79 56.06 1quw n ASP 7 Cb 0.60 -0.52 -0.13 0.00 -1.03 0.00 0.00 41.12 40.04 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 1.79 0.16 0.00 2.12 0.00 -2.02 -3.32 119.26 117.99 1quw h ALA 8 Ca 0.50 -0.98 -0.07 0.00 0.00 0.00 0.00 54.91 54.36 1quw h ALA 8 Cb 0.96 0.44 -0.01 0.00 0.00 0.00 0.00 17.79 19.18 1quw h ALA 8 CO -0.87 0.58 -0.34 -0.97 0.00 0.00 0.00 179.25 177.65 1quw h ASN 9 N -0.69 0.00 -0.25 0.00 -1.24 -1.84 -3.06 115.58 108.50 1quw h ASN 9 Ca -0.24 0.00 0.05 0.00 0.71 0.00 0.00 56.30 56.81 1quw h ASN 9 Cb 1.44 0.00 -0.04 0.00 0.73 0.00 0.00 38.32 40.44 1quw h ASN 9 CO -0.04 0.34 -0.03 0.15 -1.29 0.00 0.00 177.43 176.56 1quw h PHE 10 N 0.00 -0.08 -0.60 0.67 3.57 0.32 0.24 116.94 121.06 1quw h PHE 10 Ca -0.00 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.48 1quw h PHE 10 Cb 0.84 0.07 -0.03 0.00 2.79 0.00 0.00 35.95 39.62 1quw h PHE 10 CO 0.00 -0.08 0.21 1.96 -2.23 0.00 0.00 178.31 178.17 1quw h GLN 11 N 0.03 0.88 0.00 1.11 4.20 -1.63 -2.09 115.11 117.62 1quw h GLN 11 Ca 0.12 -0.15 -0.14 0.00 0.06 0.00 0.00 58.65 58.54 1quw h GLN 11 Cb 0.17 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 27.78 1quw h GLN 11 CO -0.23 0.75 -0.65 0.37 -0.67 0.00 0.00 178.83 178.39 1quw h GLN 12 N 0.86 0.00 -0.06 1.46 4.15 -1.48 -3.18 115.11 116.87 1quw h GLN 12 Ca 0.20 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.61 1quw h GLN 12 Cb 0.21 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 27.90 1quw h GLN 12 CO -0.01 0.65 -0.01 0.00 -1.93 0.00 0.00 178.83 177.53 1quw h ALA 13 N 1.35 0.08 0.00 3.38 0.00 0.14 -3.26 119.26 120.95 1quw h ALA 13 Ca -0.01 -0.19 -0.18 0.00 0.00 0.00 0.00 54.91 54.54 1quw h ALA 13 Cb 1.26 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.00 1quw h ALA 13 CO 0.08 -0.22 -0.83 -0.84 0.00 0.00 0.00 179.25 177.44 1quw h ILE 14 N -0.20 1.46 0.00 0.00 3.07 -1.57 -3.23 117.51 117.03 1quw h ILE 14 Ca 0.02 -3.00 0.00 0.00 1.55 0.00 0.00 64.86 63.43 1quw h ILE 14 Cb 0.37 2.68 0.00 0.00 -0.27 0.00 0.00 36.82 39.60 1quw h ILE 14 CO 0.00 0.82 0.00 0.00 -1.05 0.00 0.00 178.15 177.92 1quw n GLN 15 N -3.34 0.19 0.00 0.16 1.13 -1.20 -1.34 117.38 112.98 1quw n GLN 15 Ca 0.00 0.27 0.00 0.00 -1.94 0.00 0.00 57.00 55.34 1quw n GLN 15 Cb 0.86 -1.78 0.00 0.00 0.11 0.00 0.00 30.24 29.43 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 0.73 -2.44 1.56 1.08 0.00 -1.22 -4.70 105.19 100.20 1quw n GLY 16 Ca 0.04 0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 -0.26 -1.62 -4.83 1.61 2.03 -1.26 -4.94 116.55 107.29 1quw n ASP 17 Ca 0.00 0.41 -0.31 0.00 0.52 0.00 0.00 54.79 55.41 1quw n ASP 17 Cb 0.00 1.75 0.04 0.00 -0.72 0.00 0.00 41.12 42.19 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 -2.00 3.09 0.28 -0.67 -2.85 -1.26 -4.37 119.74 111.96 1quw s LYS 18 Ca 0.00 0.92 -0.30 0.00 -1.00 0.00 0.00 55.97 55.59 1quw s LYS 18 Cb 0.00 -2.01 -0.13 0.00 -2.06 0.00 0.00 37.83 33.63 1quw s LYS 18 CO 0.00 -0.98 1.43 -2.30 0.10 0.00 0.00 175.35 173.60 1quw n PRO 19 N -3.02 2.25 -3.72 1.78 -0.02 -1.26 -4.70 135.00 126.31 1quw n PRO 19 Ca 0.07 0.80 -0.28 0.00 -2.02 0.00 0.00 63.50 62.07 1quw n PRO 19 Cb 0.54 -2.47 -0.16 0.00 -0.02 0.00 0.00 33.50 31.38 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 -0.33 0.46 -0.35 -1.45 1.01 0.87 -3.43 120.40 117.17 1quw s VAL 20 Ca 0.63 -0.56 -0.26 0.00 0.00 0.00 0.00 61.98 61.80 1quw s VAL 20 Cb -0.58 -1.01 0.01 0.00 0.00 0.00 0.00 36.38 34.80 1quw s VAL 20 CO 0.53 -0.25 0.91 -0.22 0.00 0.00 0.00 175.10 176.06 1quw s LEU 21 N 1.88 4.02 -0.19 3.92 0.20 -0.66 -1.20 118.68 126.65 1quw s LEU 21 Ca 0.00 0.63 -0.23 0.00 0.69 0.00 0.00 54.13 55.23 1quw s LEU 21 Cb -0.17 -3.24 -0.02 0.00 -0.43 0.00 0.00 46.19 42.33 1quw s LEU 21 CO -0.10 -0.81 0.72 -0.69 -0.29 0.00 0.00 176.35 175.19 1quw s VAL 22 N 3.37 4.96 -0.47 1.68 1.01 -0.07 -0.41 120.40 130.48 1quw s VAL 22 Ca 0.37 1.38 -0.14 0.00 0.00 0.00 0.00 61.98 63.59 1quw s VAL 22 Cb -0.12 -4.03 0.08 0.00 0.00 0.00 0.00 36.38 32.31 1quw s VAL 22 CO 0.17 0.07 0.37 -1.81 0.00 0.00 0.00 175.10 173.90 1quw s ASP 23 N 1.19 6.03 -0.14 3.32 1.11 0.03 -1.87 116.67 126.35 1quw s ASP 23 Ca 0.33 -1.41 -0.26 0.00 0.18 0.00 0.00 52.55 51.39 1quw s ASP 23 Cb -0.16 -2.14 -0.02 0.00 1.07 0.00 0.00 42.92 41.67 1quw s ASP 23 CO 0.11 -0.64 0.86 -0.36 1.18 0.00 0.00 175.17 176.32 1quw s PHE 24 N 1.59 3.47 0.30 4.23 0.08 0.03 -2.65 117.98 125.03 1quw s PHE 24 Ca 0.04 1.34 -0.06 0.00 0.12 0.00 0.00 56.93 58.37 1quw s PHE 24 Cb -0.24 -3.03 0.00 0.00 -0.57 0.00 0.00 43.02 39.18 1quw s PHE 24 CO 0.05 -0.19 0.47 1.67 -0.10 0.00 0.00 175.22 177.12 1quw s TRP 25 N 1.93 0.79 0.03 0.36 1.48 -1.01 -2.07 118.94 120.44 1quw s TRP 25 Ca 0.41 -1.09 -0.02 0.00 -1.06 0.00 0.00 56.10 54.34 1quw s TRP 25 Cb -0.17 0.03 -0.02 0.00 -1.16 0.00 0.00 33.47 32.14 1quw s TRP 25 CO 0.15 -1.08 0.02 0.00 -4.06 0.00 0.00 176.95 171.97 1quw s ALA 26 N -3.40 0.10 0.30 2.67 0.00 -1.26 -2.31 121.76 117.86 1quw s ALA 26 Ca 0.28 -0.65 0.25 0.00 0.00 0.00 0.00 51.96 51.84 1quw s ALA 26 Cb -0.00 0.19 1.18 0.00 0.00 0.00 0.00 23.12 24.49 1quw s ALA 26 CO 0.15 -0.24 1.95 0.00 0.00 0.00 0.00 175.76 177.63 1quw h ALA 27 N 4.10 1.17 -0.01 0.00 0.00 -2.01 -1.42 119.26 121.10 1quw h ALA 27 Ca -0.32 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1quw h ALA 27 Cb 1.19 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1quw h ALA 27 CO 0.48 0.23 -0.10 -2.67 0.00 0.00 0.00 179.25 177.19 1quw n TRP 28 N -3.56 0.00 -2.18 0.00 4.27 -1.26 -4.96 117.44 109.75 1quw n TRP 28 Ca -0.01 0.00 -0.37 0.00 -3.89 0.00 0.00 57.50 53.23 1quw n TRP 28 Cb 0.33 -0.06 -0.00 0.00 -1.36 0.00 0.00 31.31 30.22 1quw n TRP 28 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1quw n GLY 30 N 0.48 -0.77 0.00 0.00 0.00 -1.26 -4.52 105.19 99.13 1quw n GLY 30 Ca 0.08 -0.20 0.08 0.00 0.00 0.00 0.00 46.02 45.98 1quw n GLY 30 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1quw n PRO 31 N -4.52 0.04 0.24 1.61 -0.04 -1.26 -2.43 135.00 128.64 1quw n PRO 31 Ca -0.15 0.20 0.12 0.00 -0.04 0.00 0.00 63.50 63.63 1quw n PRO 31 Cb 0.44 -1.50 0.53 0.00 -0.04 0.00 0.00 33.50 32.93 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 0.16 0.30 0.00 -0.00 -1.73 -1.95 114.38 111.16 1quw h ARG 33 Ca -0.00 -0.08 -0.01 0.00 -0.50 0.00 0.00 59.98 59.38 1quw h ARG 33 Cb 0.66 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.64 1quw h ARG 33 CO 0.02 0.58 -0.15 0.52 0.00 0.00 0.00 179.97 180.95 1quw h MET 34 N 0.13 -0.39 -0.10 0.04 2.86 -1.72 -2.42 114.93 113.33 1quw h MET 34 Ca 0.01 0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.68 1quw h MET 34 Cb 0.85 0.09 0.00 0.00 0.06 0.00 0.00 31.60 32.59 1quw h MET 34 CO 0.07 -0.25 0.00 0.00 1.06 0.00 0.00 176.91 177.78 1quw n MET 35 N -5.26 1.41 -0.11 1.72 0.00 -1.23 -4.24 117.12 109.41 1quw n MET 35 Ca -0.10 -0.61 -0.05 0.00 0.00 0.00 0.00 57.70 56.93 1quw n MET 35 Cb 0.19 -1.33 0.01 0.00 0.00 0.00 0.00 33.22 32.08 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 3.81 0.23 0.00 3.17 0.00 -0.82 -2.31 119.26 123.35 1quw h ALA 36 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1quw h ALA 36 Cb 0.27 0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1quw h ALA 36 CO 0.00 -0.47 0.00 -1.00 0.00 0.00 0.00 179.25 177.78 1quw h PRO 37 N -0.01 0.00 0.02 0.00 0.13 -1.76 -3.01 132.00 127.36 1quw h PRO 37 Ca 0.18 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 65.10 1quw h PRO 37 Cb 0.29 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.41 1quw h PRO 37 CO -0.40 0.00 -0.94 -0.39 -0.23 0.00 0.00 178.00 176.04 1quw h VAL 38 N 0.00 1.50 -0.24 1.56 -1.51 -1.73 -3.08 116.25 112.74 1quw h VAL 38 Ca 0.00 -2.71 -0.12 0.00 -1.23 0.00 0.00 66.70 62.64 1quw h VAL 38 Cb 0.74 2.55 -0.01 0.00 -2.13 0.00 0.00 31.29 32.44 1quw h VAL 38 CO 0.00 0.79 -0.36 -0.07 -1.23 0.00 0.00 177.57 176.70 1quw h LEU 39 N 0.11 0.55 -0.64 4.19 3.38 -1.30 0.18 115.31 121.77 1quw h LEU 39 Ca -0.06 -0.23 -0.06 0.00 0.09 0.00 0.00 57.88 57.63 1quw h LEU 39 Cb 1.59 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 42.16 1quw h LEU 39 CO 0.15 0.86 0.18 -0.33 0.09 0.00 0.00 178.44 179.39 1quw h GLU 40 N 0.44 1.01 -0.10 1.13 4.39 -1.58 -0.46 114.58 119.41 1quw h GLU 40 Ca 0.05 -0.23 -0.11 0.00 0.34 0.00 0.00 59.36 59.40 1quw h GLU 40 Cb 0.84 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 29.33 1quw h GLU 40 CO 0.07 0.90 -0.44 0.93 -1.16 0.00 0.00 179.01 179.31 1quw h GLU 41 N 0.94 0.24 -0.39 2.33 4.39 -1.42 -3.05 114.58 117.62 1quw h GLU 41 Ca 0.20 -0.12 -0.08 0.00 0.34 0.00 0.00 59.36 59.71 1quw h GLU 41 Cb 0.32 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.96 1quw h GLU 41 CO -0.00 0.64 -0.05 0.35 -1.16 0.00 0.00 179.01 178.79 1quw h PHE 42 N 0.20 0.81 0.00 4.33 3.57 -0.06 -1.88 116.94 123.91 1quw h PHE 42 Ca 0.02 -0.16 -0.06 0.00 3.53 0.00 0.00 57.97 61.30 1quw h PHE 42 Cb 0.86 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 39.39 1quw h PHE 42 CO 0.02 0.84 -0.27 0.00 -2.23 0.00 0.00 178.31 176.67 1quw h ALA 43 N 0.86 1.11 0.00 2.41 0.00 -1.12 -2.31 119.26 120.20 1quw h ALA 43 Ca 0.10 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1quw h ALA 43 Cb 0.55 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1quw h ALA 43 CO 0.03 0.33 -0.31 0.93 0.00 0.00 0.00 179.25 180.23 1quw h GLU 44 N 0.00 0.00 0.02 0.00 4.39 -1.39 -1.74 114.58 115.86 1quw h GLU 44 Ca -0.00 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.70 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 0.03 0.00 -0.01 0.00 -1.16 0.00 0.00 179.01 177.87 1quw h ALA 45 N 2.43 -0.03 0.11 3.43 0.00 -0.79 -3.40 119.26 121.01 1quw h ALA 45 Ca 0.00 -0.08 -0.23 0.00 0.00 0.00 0.00 54.91 54.60 1quw h ALA 45 Cb 0.78 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1quw h ALA 45 CO 0.00 -0.03 -1.12 0.45 0.00 0.00 0.00 179.25 178.55 1quw h HIS 46 N -1.00 0.44 0.00 0.00 3.86 -1.65 -3.47 115.15 113.32 1quw h HIS 46 Ca -0.00 -0.32 0.00 0.00 -1.16 0.00 0.00 60.37 58.89 1quw h HIS 46 Cb 0.18 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 28.63 1quw h HIS 46 CO 0.04 1.43 0.00 0.00 0.86 0.00 0.00 177.93 180.27 1quw n ALA 47 N -2.86 0.00 0.47 2.45 0.00 -0.65 -2.32 120.51 117.59 1quw n ALA 47 Ca -0.20 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.36 1quw n ALA 47 Cb 0.84 0.00 0.31 0.00 0.00 0.00 0.00 19.45 20.60 1quw n ALA 47 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1quw h ASP 48 N 0.00 0.00 0.21 0.00 3.58 -1.91 -3.11 116.42 115.19 1quw h ASP 48 Ca 0.00 -0.00 -0.18 0.00 0.42 0.00 0.00 57.03 57.27 1quw h ASP 48 Cb 0.00 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.05 1quw h ASP 48 CO 0.00 0.00 -0.69 0.50 -2.88 0.00 0.00 179.24 176.17 1quw h LYS 49 N 0.00 0.43 -6.15 0.28 1.63 -1.86 -3.45 116.57 107.45 1quw h LYS 49 Ca 0.00 -0.33 -0.52 0.00 -0.85 0.00 0.00 60.65 58.95 1quw h LYS 49 Cb 0.84 0.06 -0.06 0.00 -0.60 0.00 0.00 32.23 32.48 1quw h LYS 49 CO 0.00 0.96 -0.49 0.14 -3.45 0.00 0.00 179.45 176.62 1quw s VAL 50 N -3.69 3.31 -0.46 2.00 -7.23 -1.18 -4.56 120.40 108.58 1quw s VAL 50 Ca -0.06 -1.51 0.03 0.00 -1.81 0.00 0.00 61.98 58.62 1quw s VAL 50 Cb 0.11 -3.09 0.13 0.00 0.56 0.00 0.00 36.38 34.08 1quw s VAL 50 CO 0.84 -0.18 0.24 -0.89 -0.31 0.00 0.00 175.10 174.80 1quw s THR 51 N -2.36 1.82 -0.90 5.32 2.01 -1.22 -4.65 115.64 115.65 1quw s THR 51 Ca 0.39 -2.78 -0.24 0.00 0.31 0.00 0.00 61.69 59.37 1quw s THR 51 Cb -0.04 -2.27 0.02 0.00 0.01 0.00 0.00 72.50 70.22 1quw s THR 51 CO 0.25 -0.85 1.54 -0.69 -0.69 0.00 0.00 174.62 174.18 1quw s VAL 52 N 0.18 3.74 0.50 3.82 1.01 -1.26 -1.65 120.40 126.74 1quw s VAL 52 Ca 0.17 -0.34 0.09 0.00 0.00 0.00 0.00 61.98 61.89 1quw s VAL 52 Cb -0.25 -4.74 0.04 0.00 0.00 0.00 0.00 36.38 31.43 1quw s VAL 52 CO -0.00 -1.65 0.64 0.00 0.00 0.00 0.00 175.10 174.09 1quw s ALA 53 N 6.43 4.57 -0.15 5.51 0.00 0.46 -1.61 121.76 136.97 1quw s ALA 53 Ca 0.50 -1.88 -0.04 0.00 0.00 0.00 0.00 51.96 50.54 1quw s ALA 53 Cb -0.04 -1.45 0.05 0.00 0.00 0.00 0.00 23.12 21.69 1quw s ALA 53 CO -0.00 -0.55 0.07 0.15 0.00 0.00 0.00 175.76 175.43 1quw s LYS 54 N -4.47 0.16 -0.10 0.00 -0.14 -0.03 -0.79 119.74 114.36 1quw s LYS 54 Ca 0.56 -0.05 -0.00 0.00 -1.36 0.00 0.00 55.97 55.11 1quw s LYS 54 Cb -0.07 -1.63 -0.03 0.00 -1.68 0.00 0.00 37.83 34.42 1quw s LYS 54 CO 0.35 -0.60 -0.08 -1.17 -0.76 0.00 0.00 175.35 173.09 1quw s LEU 55 N 2.09 3.05 -0.23 3.17 2.96 -1.08 -1.22 118.68 127.42 1quw s LEU 55 Ca 0.02 -0.13 -0.25 0.00 -0.22 0.00 0.00 54.13 53.54 1quw s LEU 55 Cb -0.15 -1.69 -0.00 0.00 0.50 0.00 0.00 46.19 44.85 1quw s LEU 55 CO -0.08 0.27 0.87 0.20 -1.32 0.00 0.00 176.35 176.29 1quw s ASN 56 N -0.24 6.90 0.53 3.68 -0.87 -1.26 -2.39 114.94 121.29 1quw s ASN 56 Ca 0.03 1.12 0.32 0.00 -1.57 0.00 0.00 52.86 52.75 1quw s ASN 56 Cb -0.13 -2.46 1.30 0.00 -0.02 0.00 0.00 41.25 39.94 1quw s ASN 56 CO 0.03 -0.53 1.96 -0.37 -2.57 0.00 0.00 177.10 175.62 1quw h VAL 57 N 5.41 0.13 0.23 1.60 -1.51 -1.72 -0.89 116.25 119.50 1quw h VAL 57 Ca -0.23 -0.62 -0.34 0.00 -1.23 0.00 0.00 66.70 64.28 1quw h VAL 57 Cb 1.09 1.55 0.03 0.00 -2.13 0.00 0.00 31.29 31.82 1quw h VAL 57 CO 0.89 0.05 -1.55 -0.78 -1.23 0.00 0.00 177.57 174.94 1quw h ASP 58 N 0.00 0.75 0.18 4.19 1.82 -1.91 -3.39 116.42 118.07 1quw h ASP 58 Ca -0.00 -0.88 -0.25 0.00 -0.39 0.00 0.00 57.03 55.51 1quw h ASP 58 Cb 0.54 -0.24 0.03 0.00 0.68 0.00 0.00 39.33 40.33 1quw h ASP 58 CO 0.01 1.71 -1.10 -0.08 -1.61 0.00 0.00 179.24 178.17 1quw h GLU 59 N 0.13 0.38 -4.71 0.28 4.57 -1.92 -3.44 114.58 109.88 1quw h GLU 59 Ca -0.28 -0.65 -0.69 0.00 -1.18 0.00 0.00 59.36 56.57 1quw h GLU 59 Cb 2.14 0.24 -0.24 0.00 -0.16 0.00 0.00 28.75 30.73 1quw h GLU 59 CO 0.24 1.31 -0.55 -0.80 -1.18 0.00 0.00 179.01 178.03 1quw s ASN 60 N -7.19 5.56 0.00 1.04 0.01 -0.35 -4.97 114.94 109.04 1quw s ASN 60 Ca -0.13 -0.74 0.17 0.00 -0.71 0.00 0.00 52.86 51.45 1quw s ASN 60 Cb 0.02 -1.99 0.40 0.00 0.41 0.00 0.00 41.25 40.09 1quw s ASN 60 CO 0.87 -0.27 1.31 -0.81 -1.51 0.00 0.00 177.10 176.69 1quw n PRO 61 N 4.97 2.49 -0.03 -0.60 -0.04 -1.26 -4.56 135.00 135.97 1quw n PRO 61 Ca -0.13 -2.17 -0.22 0.00 -0.04 0.00 0.00 63.50 60.95 1quw n PRO 61 Cb 0.48 -1.39 -0.13 0.00 -0.04 0.00 0.00 33.50 32.41 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 3.16 0.18 0.00 0.54 -0.00 -1.94 -3.30 114.58 113.23 1quw h GLU 62 Ca 0.00 -0.31 -0.12 0.00 -0.00 0.00 0.00 59.36 58.93 1quw h GLU 62 Cb 0.82 0.12 -0.02 0.00 -0.00 0.00 0.00 28.75 29.67 1quw h GLU 62 CO 0.00 1.15 -0.71 0.00 -0.00 0.00 0.00 179.01 179.45 1quw h THR 63 N -0.29 0.83 0.00 -1.06 1.03 -1.92 -3.08 112.91 108.43 1quw h THR 63 Ca -0.40 -2.23 -0.02 0.00 -0.01 0.00 0.00 66.41 63.75 1quw h THR 63 Cb 1.79 2.36 -0.00 0.00 -1.07 0.00 0.00 68.15 71.24 1quw h THR 63 CO -0.01 0.47 -0.10 0.00 -0.01 0.00 0.00 175.52 175.88 1quw h THR 64 N 0.00 0.43 0.13 0.00 1.03 -1.80 -1.75 112.91 110.94 1quw h THR 64 Ca -0.03 -0.52 -0.28 0.00 -0.01 0.00 0.00 66.41 65.57 1quw h THR 64 Cb 1.44 1.36 0.01 0.00 -1.07 0.00 0.00 68.15 69.89 1quw h THR 64 CO 0.06 0.10 -1.23 0.77 -0.01 0.00 0.00 175.52 175.21 1quw h SER 65 N 0.00 0.50 0.42 0.00 4.64 -1.61 0.30 113.55 117.79 1quw h SER 65 Ca -0.00 -0.51 -0.02 0.00 -0.47 0.00 0.00 61.79 60.78 1quw h SER 65 Cb 0.35 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 1quw h SER 65 CO 0.01 1.39 -0.20 1.56 -0.87 0.00 0.00 176.83 178.72 1quw h GLN 66 N 0.11 -0.55 0.05 4.77 7.50 -1.42 -3.33 115.11 122.23 1quw h GLN 66 Ca -0.14 0.04 -0.26 0.00 0.50 0.00 0.00 58.65 58.78 1quw h GLN 66 Cb 1.95 0.12 -0.02 0.00 0.05 0.00 0.00 27.48 29.58 1quw h GLN 66 CO 0.21 -0.25 -1.33 0.74 -1.50 0.00 0.00 178.83 176.70 1quw h PHE 67 N -0.82 0.18 -2.21 2.96 0.04 -1.47 -3.49 116.94 112.13 1quw h PHE 67 Ca -0.06 -0.13 0.00 0.00 2.80 0.00 0.00 57.97 60.58 1quw h PHE 67 Cb 0.55 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 38.69 1quw h PHE 67 CO 0.01 1.14 0.00 0.41 -0.60 0.00 0.00 178.31 179.26 1quw n GLY 68 N 1.50 0.21 3.42 -1.45 0.00 0.07 -4.99 105.19 103.95 1quw n GLY 68 Ca -0.09 -0.36 -0.44 0.00 0.00 0.00 0.00 46.02 45.13 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 -2.74 4.55 -0.10 -0.61 -1.09 -1.04 -4.77 121.20 115.40 1quw s ILE 69 Ca 0.00 -0.65 0.22 0.00 -2.23 0.00 0.00 60.65 57.99 1quw s ILE 69 Cb 0.00 -4.60 0.45 0.00 -1.58 0.00 0.00 42.46 36.73 1quw s ILE 69 CO 0.00 -1.31 1.17 0.23 -1.23 0.00 0.00 174.94 173.80 1quw n MET 70 N 7.09 0.76 -2.99 2.79 2.81 -1.26 -4.87 117.12 121.45 1quw n MET 70 Ca -0.06 -2.60 -0.14 0.00 -1.81 0.00 0.00 57.70 53.08 1quw n MET 70 Cb 0.44 -0.67 0.02 0.00 -0.71 0.00 0.00 33.22 32.29 1quw n MET 70 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1quw n SER 71 N -0.02 -0.09 -4.78 7.83 2.88 -1.26 -5.12 113.62 113.06 1quw n SER 71 Ca 0.10 -3.14 -0.36 0.00 -1.33 0.00 0.00 58.87 54.14 1quw n SER 71 Cb 1.00 0.15 -0.02 0.00 -0.75 0.00 0.00 64.21 64.60 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 -1.65 3.35 0.03 2.46 -5.25 -1.26 -3.59 121.20 115.28 1quw s ILE 72 Ca 0.33 0.96 -0.30 0.00 -0.99 0.00 0.00 60.65 60.64 1quw s ILE 72 Cb 0.35 -3.46 -0.04 0.00 2.95 0.00 0.00 42.46 42.26 1quw s ILE 72 CO -0.06 -0.07 1.09 -2.16 -1.79 0.00 0.00 174.94 171.96 1quw s PRO 73 N -2.84 4.49 -0.22 0.37 0.04 -1.26 -4.74 135.00 130.84 1quw s PRO 73 Ca 0.65 1.60 -0.04 0.00 0.04 0.00 0.00 61.00 63.24 1quw s PRO 73 Cb -0.24 -3.41 -0.01 0.00 0.04 0.00 0.00 34.50 30.87 1quw s PRO 73 CO 0.30 -0.17 -0.02 0.99 0.04 0.00 0.00 177.00 178.14 1quw s THR 74 N 1.09 3.61 -0.20 1.26 2.01 -0.88 -1.97 115.64 120.56 1quw s THR 74 Ca 0.55 -0.42 -0.04 0.00 0.31 0.00 0.00 61.69 62.10 1quw s THR 74 Cb -0.25 -2.64 -0.02 0.00 0.01 0.00 0.00 72.50 69.59 1quw s THR 74 CO 0.28 0.42 -0.03 -0.76 -0.69 0.00 0.00 174.62 173.84 1quw s LEU 75 N 1.35 3.10 -0.10 4.42 1.43 -0.71 -0.79 118.68 127.38 1quw s LEU 75 Ca 0.04 -0.26 -0.00 0.00 -1.03 0.00 0.00 54.13 52.88 1quw s LEU 75 Cb -0.14 -1.78 0.02 0.00 0.03 0.00 0.00 46.19 44.32 1quw s LEU 75 CO -0.01 0.06 -0.07 -0.63 0.23 0.00 0.00 176.35 175.93 1quw s ILE 76 N 1.03 0.93 -0.26 -0.59 1.01 -0.78 -2.25 121.20 120.29 1quw s ILE 76 Ca 0.01 -0.25 -0.17 0.00 0.00 0.00 0.00 60.65 60.24 1quw s ILE 76 Cb -0.15 -0.95 -0.03 0.00 0.01 0.00 0.00 42.46 41.35 1quw s ILE 76 CO 0.01 0.34 0.47 -0.22 0.00 0.00 0.00 174.94 175.54 1quw s LEU 77 N 1.52 4.06 -0.05 2.97 1.98 -0.81 -0.89 118.68 127.46 1quw s LEU 77 Ca 0.01 0.47 0.00 0.00 -2.89 0.00 0.00 54.13 51.71 1quw s LEU 77 Cb -0.13 -2.59 -0.03 0.00 0.66 0.00 0.00 46.19 44.09 1quw s LEU 77 CO -0.05 -0.24 -0.02 -0.36 -1.89 0.00 0.00 176.35 173.78 1quw s PHE 78 N 2.16 3.06 -0.06 5.38 0.08 -0.34 0.92 117.98 129.18 1quw s PHE 78 Ca 0.20 0.10 -0.06 0.00 0.12 0.00 0.00 56.93 57.29 1quw s PHE 78 Cb -0.16 -1.73 -0.02 0.00 -0.57 0.00 0.00 43.02 40.55 1quw s PHE 78 CO 0.09 0.42 -0.11 1.17 -0.10 0.00 0.00 175.22 176.69 1quw n LYS 79 N 1.94 0.18 -2.51 0.44 0.00 -1.14 -0.09 118.16 116.98 1quw n LYS 79 Ca -0.17 0.11 -0.22 0.00 0.00 0.00 0.00 58.31 58.03 1quw n LYS 79 Cb 0.53 -0.86 0.01 0.00 0.00 0.00 0.00 35.03 34.71 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 1.52 4.93 0.29 3.14 0.00 -1.25 -4.09 105.19 109.72 1quw n GLY 80 Ca -0.05 -2.40 0.00 0.00 0.00 0.00 0.00 46.02 43.57 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 -0.39 2.96 3.70 -0.02 0.00 -0.45 -4.63 105.19 106.36 1quw n GLY 81 Ca 0.32 -0.23 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 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 0.00 4.43 -0.15 1.61 3.00 -1.26 -4.99 118.95 121.60 1quw s ARG 82 Ca 0.00 1.20 -0.29 0.00 -1.00 0.00 0.00 55.73 55.64 1quw s ARG 82 Cb 0.00 -3.51 -0.01 0.00 0.00 0.00 0.00 34.95 31.43 1quw s ARG 82 CO 0.00 -0.17 1.23 -1.25 0.00 0.00 0.00 175.30 175.11 1quw s PRO 83 N 1.51 4.26 -0.12 5.12 0.04 -1.26 -2.89 135.00 141.66 1quw s PRO 83 Ca 0.45 1.63 -0.28 0.00 0.04 0.00 0.00 61.00 62.84 1quw s PRO 83 Cb -0.19 -3.71 -0.25 0.00 0.04 0.00 0.00 34.50 30.39 1quw s PRO 83 CO 0.19 -0.65 0.85 0.28 0.04 0.00 0.00 177.00 177.72 1quw h VAL 84 N 5.40 1.71 -3.62 -0.36 2.07 0.18 -3.46 116.25 118.18 1quw h VAL 84 Ca -0.27 -2.13 -0.29 0.00 0.82 0.00 0.00 66.70 64.82 1quw h VAL 84 Cb 1.11 3.16 -0.32 0.00 -1.52 0.00 0.00 31.29 33.72 1quw h VAL 84 CO 0.95 0.55 -0.73 -0.54 0.02 0.00 0.00 177.57 177.82 1quw s LYS 85 N -2.57 0.13 -0.30 1.57 1.02 -1.23 -4.99 119.74 113.36 1quw s LYS 85 Ca -0.18 0.06 0.03 0.00 0.02 0.00 0.00 55.97 55.89 1quw s LYS 85 Cb -0.02 -0.26 0.07 0.00 -0.52 0.00 0.00 37.83 37.10 1quw s LYS 85 CO 0.68 -0.08 -0.03 -1.14 -0.92 0.00 0.00 175.35 173.86 1quw s GLN 86 N 0.61 1.99 0.09 1.68 0.74 -1.26 -1.92 119.66 121.59 1quw s GLN 86 Ca -0.05 -1.54 0.07 0.00 0.05 0.00 0.00 55.36 53.88 1quw s GLN 86 Cb -0.08 -3.06 -0.03 0.00 1.10 0.00 0.00 33.01 30.94 1quw s GLN 86 CO -0.01 -0.72 -0.18 -0.48 -0.55 0.00 0.00 175.29 173.35 1quw s LEU 87 N 1.05 2.29 0.04 3.68 2.34 -0.95 -5.02 118.68 122.10 1quw s LEU 87 Ca -0.01 -0.66 -0.01 0.00 0.06 0.00 0.00 54.13 53.52 1quw s LEU 87 Cb -0.20 -0.71 -0.03 0.00 -0.56 0.00 0.00 46.19 44.69 1quw s LEU 87 CO -0.06 -0.01 -0.03 0.27 -1.06 0.00 0.00 176.35 175.47 1quw s ILE 88 N -1.23 0.17 0.00 1.48 -0.00 -1.26 -1.74 121.20 118.62 1quw s ILE 88 Ca 0.02 -1.42 0.00 0.00 -0.00 0.00 0.00 60.65 59.26 1quw s ILE 88 Cb -0.10 -0.99 0.00 0.00 -0.00 0.00 0.00 42.46 41.38 1quw s ILE 88 CO 0.03 -0.78 0.00 0.61 -0.00 0.00 0.00 174.94 174.80 1quw n GLY 89 N 0.74 0.49 3.76 6.27 0.00 -0.83 -4.94 105.19 110.67 1quw n GLY 89 Ca -0.18 -2.12 -0.41 0.00 0.00 0.00 0.00 46.02 43.31 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 -1.06 3.24 -0.20 1.61 5.04 -1.26 -4.84 117.35 119.88 1quw s TYR 90 Ca 0.00 1.43 -0.08 0.00 -2.44 0.00 0.00 57.07 55.98 1quw s TYR 90 Cb 0.00 -3.56 0.09 0.00 0.35 0.00 0.00 41.96 38.84 1quw s TYR 90 CO 0.00 -1.53 0.44 1.14 -1.34 0.00 0.00 175.55 174.26 1quw s GLN 91 N -1.22 0.36 1.10 4.97 -2.07 -1.26 -5.09 119.66 116.45 1quw s GLN 91 Ca 0.50 1.03 -0.16 0.00 -1.82 0.00 0.00 55.36 54.91 1quw s GLN 91 Cb -0.37 0.30 0.14 0.00 -1.09 0.00 0.00 33.01 31.99 1quw s GLN 91 CO 0.46 -0.23 0.38 -2.30 -1.32 0.00 0.00 175.29 172.27 1quw n PRO 92 N 5.17 -1.56 -0.26 9.60 -0.02 -1.26 -4.54 135.00 142.12 1quw n PRO 92 Ca -0.12 -0.43 -0.03 0.00 -2.02 0.00 0.00 63.50 60.91 1quw n PRO 92 Cb 0.51 -1.87 0.15 0.00 -0.02 0.00 0.00 33.50 32.26 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 -2.14 1.09 0.00 -0.52 3.11 -1.97 0.38 116.57 116.52 1quw h LYS 93 Ca -0.54 -0.13 -0.06 0.00 -2.81 0.00 0.00 60.65 57.11 1quw h LYS 93 Cb 1.34 -0.21 -0.01 0.00 -1.00 0.00 0.00 32.23 32.35 1quw h LYS 93 CO 0.40 0.82 -0.27 0.93 -2.81 0.00 0.00 179.45 178.52 1quw h GLU 94 N 1.10 0.00 -0.11 1.90 4.39 -1.97 -1.77 114.58 118.12 1quw h GLU 94 Ca 0.27 0.00 -0.21 0.00 0.34 0.00 0.00 59.36 59.76 1quw h GLU 94 Cb 0.06 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.71 1quw h GLU 94 CO -0.04 0.27 -0.78 0.37 -1.16 0.00 0.00 179.01 177.67 1quw h GLN 95 N 0.00 0.61 -0.21 2.33 5.75 -1.32 -1.36 115.11 120.90 1quw h GLN 95 Ca -0.00 -0.51 0.01 0.00 -0.15 0.00 0.00 58.65 58.00 1quw h GLN 95 Cb 0.55 0.11 -0.02 0.00 1.07 0.00 0.00 27.48 29.20 1quw h GLN 95 CO 0.03 1.13 0.10 -0.07 -2.65 0.00 0.00 178.83 177.38 1quw h LEU 96 N 0.41 0.14 -1.32 -2.39 -0.00 -0.78 -2.73 115.31 108.65 1quw h LEU 96 Ca -0.05 0.01 -0.07 0.00 -0.00 0.00 0.00 57.88 57.77 1quw h LEU 96 Cb 1.39 -0.01 -0.01 0.00 -0.00 0.00 0.00 40.66 42.03 1quw h LEU 96 CO 0.15 0.11 -0.32 -0.33 -0.00 0.00 0.00 178.44 178.05 1quw h GLU 97 N 0.21 0.04 0.10 1.13 5.08 -1.15 0.13 114.58 120.12 1quw h GLU 97 Ca 0.09 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.43 1quw h GLU 97 Cb 0.03 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.28 1quw h GLU 97 CO -0.07 0.35 -0.05 0.00 -1.00 0.00 0.00 179.01 178.25 1quw h ALA 98 N 1.65 -0.14 -0.62 3.43 0.00 -1.17 0.16 119.26 122.57 1quw h ALA 98 Ca 0.00 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 1quw h ALA 98 Cb 0.58 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 1quw h ALA 98 CO 0.04 -0.40 0.26 1.96 0.00 0.00 0.00 179.25 181.11 1quw h GLN 99 N -0.49 0.92 0.00 0.00 1.08 -1.21 -3.25 115.11 112.15 1quw h GLN 99 Ca -0.01 -0.16 -0.23 0.00 -1.45 0.00 0.00 58.65 56.80 1quw h GLN 99 Cb 0.41 -0.15 -0.04 0.00 -0.05 0.00 0.00 27.48 27.64 1quw h GLN 99 CO 0.02 0.77 -1.41 -0.07 -0.95 0.00 0.00 178.83 177.20 1quw h LEU 100 N 0.86 0.00 -2.21 1.46 3.38 -0.78 -3.15 115.31 114.88 1quw h LEU 100 Ca 0.21 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.21 1quw h LEU 100 Cb 0.18 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 1quw h LEU 100 CO -0.02 0.86 0.09 0.00 0.09 0.00 0.00 178.44 179.46 1quw h ALA 101 N 1.14 1.85 -0.12 1.53 0.00 -1.02 0.91 119.26 123.56 1quw h ALA 101 Ca -0.18 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 1quw h ALA 101 Cb 1.81 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.61 1quw h ALA 101 CO 0.08 -0.14 -0.07 0.22 0.00 0.00 0.00 179.25 179.34 1quw h ASP 102 N 0.00 0.26 1.26 0.00 3.58 -1.58 -3.10 116.42 116.84 1quw h ASP 102 Ca 0.05 -0.43 -0.12 0.00 0.42 0.00 0.00 57.03 56.95 1quw h ASP 102 Cb 0.23 -0.07 -0.02 0.00 1.72 0.00 0.00 39.33 41.19 1quw h ASP 102 CO -0.00 0.64 -0.77 -0.37 -2.88 0.00 0.00 179.24 175.86 1quw h VAL 103 N -0.11 0.73 0.13 2.25 -1.51 -1.51 -3.35 116.25 112.89 1quw h VAL 103 Ca 0.02 -2.12 -0.28 0.00 -1.23 0.00 0.00 66.70 63.10 1quw h VAL 103 Cb 0.54 2.29 0.01 0.00 -2.13 0.00 0.00 31.29 32.00 1quw h VAL 103 CO 0.02 0.42 -1.23 -0.07 -1.23 0.00 0.00 177.57 175.48 1quw h LEU 104 N 0.00 0.58 0.00 4.19 3.38 -0.92 -3.49 115.31 119.05 1quw h LEU 104 Ca -0.05 -0.58 0.00 0.00 0.09 0.00 0.00 57.88 57.34 1quw h LEU 104 Cb 1.43 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.99 1quw h LEU 104 CO 0.06 1.43 0.00 0.00 0.09 0.00 0.00 178.44 180.02