#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 3.60 0.62 0.00 -4.23 -1.26 -4.95 115.64 109.41 1quw s THR 2 Ca 0.00 -0.61 -0.08 0.00 -1.18 0.00 0.00 61.69 59.82 1quw s THR 2 Cb 0.00 -3.32 0.00 0.00 1.34 0.00 0.00 72.50 70.52 1quw s THR 2 CO 0.00 -0.21 0.97 -0.32 -0.54 0.00 0.00 174.62 174.52 1quw s MET 3 N -4.57 3.00 -0.17 3.99 -2.45 -0.34 -4.95 119.30 113.81 1quw s MET 3 Ca 0.51 0.23 -0.00 0.00 -1.25 0.00 0.00 55.69 55.17 1quw s MET 3 Cb -0.10 -2.18 0.04 0.00 1.25 0.00 0.00 34.83 33.84 1quw s MET 3 CO 0.37 -0.76 -0.06 0.99 1.05 0.00 0.00 175.02 176.61 1quw s THR 4 N -3.11 1.19 0.48 10.11 2.01 -1.26 -0.81 115.64 124.24 1quw s THR 4 Ca 0.55 -0.70 0.05 0.00 0.31 0.00 0.00 61.69 61.90 1quw s THR 4 Cb -0.11 -1.36 0.02 0.00 0.01 0.00 0.00 72.50 71.06 1quw s THR 4 CO 0.48 0.13 0.66 -0.76 -0.69 0.00 0.00 174.62 174.44 1quw s LEU 5 N 1.59 3.49 0.36 4.42 1.02 0.10 -4.83 118.68 124.84 1quw s LEU 5 Ca 0.00 -0.23 -0.14 0.00 0.02 0.00 0.00 54.13 53.79 1quw s LEU 5 Cb -0.15 -2.76 0.04 0.00 0.02 0.00 0.00 46.19 43.33 1quw s LEU 5 CO -0.08 -0.92 0.71 0.28 0.02 0.00 0.00 176.35 176.36 1quw s THR 6 N -2.53 0.00 0.21 5.49 -1.32 -1.26 -4.21 115.64 112.02 1quw s THR 6 Ca 0.56 -1.13 -0.19 0.00 -1.21 0.00 0.00 61.69 59.72 1quw s THR 6 Cb -0.10 -2.72 0.17 0.00 -1.51 0.00 0.00 72.50 68.35 1quw s THR 6 CO 0.35 0.00 1.57 -2.24 -2.21 0.00 0.00 174.62 172.09 1quw h ASP 7 N 2.03 -1.31 0.39 8.08 2.03 -1.96 0.52 116.42 126.20 1quw h ASP 7 Ca -0.30 0.27 -0.31 0.00 -0.73 0.00 0.00 57.03 55.96 1quw h ASP 7 Cb 1.25 0.67 -0.04 0.00 -0.83 0.00 0.00 39.33 40.38 1quw h ASP 7 CO 0.38 -0.30 -1.79 0.00 -1.03 0.00 0.00 179.24 176.50 1quw n ALA 8 N -3.30 1.33 0.14 4.15 0.00 -1.26 -3.59 120.51 117.99 1quw n ALA 8 Ca 0.07 -0.72 0.00 0.00 0.00 0.00 0.00 53.44 52.79 1quw n ALA 8 Cb 0.38 -0.80 0.17 0.00 0.00 0.00 0.00 19.45 19.20 1quw n ALA 8 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 1quw h ASN 9 N 0.02 0.00 -0.41 0.00 -1.24 -1.89 -3.09 115.58 108.97 1quw h ASN 9 Ca -0.33 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 56.67 1quw h ASN 9 Cb 2.02 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 41.05 1quw h ASN 9 CO 0.08 0.59 0.20 0.15 -1.29 0.00 0.00 177.43 177.16 1quw h PHE 10 N 0.00 0.59 -0.68 0.67 3.04 -0.07 -1.10 116.94 119.40 1quw h PHE 10 Ca -0.01 -0.03 -0.05 0.00 3.98 0.00 0.00 57.97 61.87 1quw h PHE 10 Cb 1.15 -0.18 -0.03 0.00 2.56 0.00 0.00 35.95 39.45 1quw h PHE 10 CO 0.00 0.48 0.24 1.96 -2.02 0.00 0.00 178.31 178.97 1quw h GLN 11 N 0.52 1.03 -0.08 1.11 4.20 -1.60 -1.93 115.11 118.36 1quw h GLN 11 Ca 0.14 -0.21 -0.06 0.00 0.06 0.00 0.00 58.65 58.58 1quw h GLN 11 Cb 0.12 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.73 1quw h GLN 11 CO -0.02 0.88 -0.25 0.37 -0.67 0.00 0.00 178.83 179.14 1quw h GLN 12 N 0.97 0.14 0.06 1.46 4.15 -1.45 -2.83 115.11 117.63 1quw h GLN 12 Ca 0.22 -0.04 -0.00 0.00 0.77 0.00 0.00 58.65 59.60 1quw h GLN 12 Cb 0.26 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 27.93 1quw h GLN 12 CO -0.01 0.39 -0.03 0.00 -1.93 0.00 0.00 178.83 177.25 1quw h ALA 13 N 1.62 -0.09 0.00 3.38 0.00 -0.46 -3.30 119.26 120.42 1quw h ALA 13 Ca 0.02 -0.25 -0.13 0.00 0.00 0.00 0.00 54.91 54.55 1quw h ALA 13 Cb 0.51 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 1quw h ALA 13 CO 0.04 -0.29 -0.62 -0.84 0.00 0.00 0.00 179.25 177.54 1quw h ILE 14 N -0.61 1.08 0.00 0.00 3.07 -1.45 -3.18 117.51 116.42 1quw h ILE 14 Ca -0.01 -2.48 0.00 0.00 1.55 0.00 0.00 64.86 63.92 1quw h ILE 14 Cb 0.52 2.50 0.00 0.00 -0.27 0.00 0.00 36.82 39.57 1quw h ILE 14 CO 0.01 0.61 0.00 0.00 -1.05 0.00 0.00 178.15 177.72 1quw n GLN 15 N -3.28 0.12 0.00 0.16 1.13 -1.07 -1.77 117.38 112.67 1quw n GLN 15 Ca 0.01 0.27 0.00 0.00 -1.94 0.00 0.00 57.00 55.35 1quw n GLN 15 Cb 0.77 -1.69 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 0.44 -0.36 0.69 1.08 0.00 -1.20 -4.81 105.19 101.02 1quw n GLY 16 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.04 0.00 -4.77 1.61 2.03 -1.26 -4.93 116.55 109.19 1quw n ASP 17 Ca 0.00 0.00 -0.40 0.00 0.52 0.00 0.00 54.79 54.91 1quw n ASP 17 Cb 0.00 0.17 -0.02 0.00 -0.72 0.00 0.00 41.12 40.55 1quw n ASP 17 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 1quw s LYS 18 N -1.63 4.25 -0.01 -0.67 2.20 -1.26 -4.53 119.74 118.09 1quw s LYS 18 Ca 0.00 2.17 -0.39 0.00 -0.36 0.00 0.00 55.97 57.38 1quw s LYS 18 Cb 0.00 -2.97 -0.19 0.00 -1.51 0.00 0.00 37.83 33.16 1quw s LYS 18 CO 0.00 -0.26 1.20 -2.30 -0.36 0.00 0.00 175.35 173.62 1quw n PRO 19 N 0.59 0.36 -3.95 4.03 -0.02 -1.26 -4.80 135.00 129.95 1quw n PRO 19 Ca 0.01 0.13 -0.30 0.00 -2.02 0.00 0.00 63.50 61.32 1quw n PRO 19 Cb 0.43 -1.67 -0.16 0.00 -0.02 0.00 0.00 33.50 32.07 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 0.41 1.49 -0.51 -1.45 1.01 -0.11 -3.91 120.40 117.33 1quw s VAL 20 Ca 0.90 -1.05 -0.22 0.00 0.00 0.00 0.00 61.98 61.61 1quw s VAL 20 Cb -1.19 -1.68 0.04 0.00 0.00 0.00 0.00 36.38 33.55 1quw s VAL 20 CO 0.56 0.03 0.81 -0.22 0.00 0.00 0.00 175.10 176.28 1quw s LEU 21 N 1.44 4.37 -0.24 3.92 0.20 -0.24 -1.15 118.68 126.98 1quw s LEU 21 Ca -0.03 -0.43 -0.23 0.00 0.69 0.00 0.00 54.13 54.12 1quw s LEU 21 Cb -0.17 -2.76 -0.01 0.00 -0.43 0.00 0.00 46.19 42.82 1quw s LEU 21 CO -0.07 -1.05 0.78 -0.69 -0.29 0.00 0.00 176.35 175.02 1quw s VAL 22 N 3.42 4.88 -0.41 1.68 1.01 0.00 -0.79 120.40 130.20 1quw s VAL 22 Ca 0.26 1.46 -0.16 0.00 0.00 0.00 0.00 61.98 63.54 1quw s VAL 22 Cb -0.14 -4.07 0.02 0.00 0.00 0.00 0.00 36.38 32.19 1quw s VAL 22 CO 0.18 -0.04 0.37 -1.81 0.00 0.00 0.00 175.10 173.80 1quw s ASP 23 N 1.36 6.16 -0.13 3.32 1.11 0.09 -2.13 116.67 126.45 1quw s ASP 23 Ca 0.33 -0.74 -0.24 0.00 0.18 0.00 0.00 52.55 52.07 1quw s ASP 23 Cb -0.15 -2.19 -0.02 0.00 1.07 0.00 0.00 42.92 41.62 1quw s ASP 23 CO 0.08 -0.51 0.77 -0.36 1.18 0.00 0.00 175.17 176.33 1quw s PHE 24 N 1.93 3.47 0.34 4.23 0.08 0.22 -3.00 117.98 125.25 1quw s PHE 24 Ca 0.09 1.22 -0.03 0.00 0.12 0.00 0.00 56.93 58.33 1quw s PHE 24 Cb -0.18 -2.92 0.00 0.00 -0.57 0.00 0.00 43.02 39.35 1quw s PHE 24 CO 0.12 -0.12 0.48 1.67 -0.10 0.00 0.00 175.22 177.27 1quw s TRP 25 N 1.64 1.03 0.06 0.36 1.48 -1.20 -1.55 118.94 120.76 1quw s TRP 25 Ca 0.37 -1.27 -0.00 0.00 -1.06 0.00 0.00 56.10 54.14 1quw s TRP 25 Cb -0.17 -0.06 -0.04 0.00 -1.16 0.00 0.00 33.47 32.04 1quw s TRP 25 CO 0.15 -1.14 -0.04 0.00 -4.06 0.00 0.00 176.95 171.86 1quw s ALA 26 N -3.07 0.55 0.14 2.67 0.00 -1.26 -2.29 121.76 118.50 1quw s ALA 26 Ca 0.30 -1.13 0.16 0.00 0.00 0.00 0.00 51.96 51.29 1quw s ALA 26 Cb -0.00 0.22 0.51 0.00 0.00 0.00 0.00 23.12 23.84 1quw s ALA 26 CO 0.20 -0.30 1.65 0.00 0.00 0.00 0.00 175.76 177.31 1quw h ALA 27 N 3.38 0.91 -0.00 0.00 0.00 -2.00 -2.48 119.26 119.07 1quw h ALA 27 Ca -0.34 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.15 1quw h ALA 27 Cb 1.16 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1quw h ALA 27 CO 0.61 0.57 -0.12 -2.67 0.00 0.00 0.00 179.25 177.65 1quw n TRP 28 N -3.52 0.00 -2.02 0.00 4.27 -1.26 -4.95 117.44 109.97 1quw n TRP 28 Ca -0.00 0.00 -0.35 0.00 -3.89 0.00 0.00 57.50 53.26 1quw n TRP 28 Cb 0.58 -0.19 0.03 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 n GLY 30 N 0.35 -0.70 0.00 0.00 0.00 -1.26 -4.54 105.19 99.04 1quw n GLY 30 Ca 0.13 -0.27 0.10 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 0.30 0.19 1.61 -0.04 -1.26 -2.25 135.00 129.02 1quw n PRO 31 Ca -0.12 0.09 0.04 0.00 -0.04 0.00 0.00 63.50 63.47 1quw n PRO 31 Cb 0.43 -1.50 0.37 0.00 -0.04 0.00 0.00 33.50 32.75 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 -0.24 0.00 -0.00 -1.70 -2.43 114.38 110.01 1quw h ARG 33 Ca -0.00 0.00 -0.18 0.00 -0.50 0.00 0.00 59.98 59.30 1quw h ARG 33 Cb 0.76 0.00 -0.00 0.00 0.00 0.00 0.00 29.97 30.73 1quw h ARG 33 CO 0.05 0.26 -0.56 0.52 0.00 0.00 0.00 179.97 180.24 1quw h MET 34 N 0.00 0.74 0.00 0.04 2.86 -1.57 -2.87 114.93 114.13 1quw h MET 34 Ca -0.00 -0.48 0.00 0.00 -2.06 0.00 0.00 59.70 57.16 1quw h MET 34 Cb 0.55 0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.27 1quw h MET 34 CO 0.03 1.10 0.00 -1.33 1.06 0.00 0.00 176.91 177.77 1quw n MET 35 N -3.98 0.09 -0.10 1.72 2.81 -1.15 -4.20 117.12 112.31 1quw n MET 35 Ca -0.04 0.13 -0.06 0.00 -1.81 0.00 0.00 57.70 55.92 1quw n MET 35 Cb 0.63 -1.61 0.01 0.00 -0.71 0.00 0.00 33.22 31.53 1quw n MET 35 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1quw h ALA 36 N 2.74 0.18 0.00 3.04 0.00 -1.20 -1.34 119.26 122.69 1quw h ALA 36 Ca 0.00 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1quw h ALA 36 Cb 0.52 0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1quw h ALA 36 CO 0.00 -0.49 -0.10 -0.35 0.00 0.00 0.00 179.25 178.31 1quw n PRO 37 N -5.31 0.11 0.03 0.00 -0.04 -1.26 -2.32 135.00 126.20 1quw n PRO 37 Ca 0.01 0.08 -0.17 0.00 -0.04 0.00 0.00 63.50 63.38 1quw n PRO 37 Cb 0.23 -1.61 -0.14 0.00 -0.04 0.00 0.00 33.50 31.93 1quw n PRO 37 CO 0.00 0.00 0.00 -0.39 -0.04 0.00 0.00 175.50 175.07 1quw h VAL 38 N 0.00 0.88 -0.47 0.52 -1.51 -1.71 -3.24 116.25 110.72 1quw h VAL 38 Ca 0.00 -2.59 -0.12 0.00 -1.23 0.00 0.00 66.70 62.76 1quw h VAL 38 Cb 0.59 2.60 -0.01 0.00 -2.13 0.00 0.00 31.29 32.34 1quw h VAL 38 CO 0.00 0.78 -0.19 -0.07 -1.23 0.00 0.00 177.57 176.87 1quw h LEU 39 N 0.06 0.94 -1.01 4.19 3.38 -1.25 0.12 115.31 121.75 1quw h LEU 39 Ca -0.32 -0.34 -0.06 0.00 0.09 0.00 0.00 57.88 57.25 1quw h LEU 39 Cb 2.03 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 42.50 1quw h LEU 39 CO 0.12 1.10 0.03 -0.33 0.09 0.00 0.00 178.44 179.45 1quw h GLU 40 N 0.81 0.74 -0.00 1.13 4.39 -1.61 -0.02 114.58 120.01 1quw h GLU 40 Ca 0.11 -0.18 -0.17 0.00 0.34 0.00 0.00 59.36 59.47 1quw h GLU 40 Cb 0.74 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 29.27 1quw h GLU 40 CO 0.06 0.73 -0.79 0.93 -1.16 0.00 0.00 179.01 178.78 1quw h GLU 41 N 0.70 0.03 -0.27 2.33 5.08 -1.55 -2.92 114.58 117.98 1quw h GLU 41 Ca 0.14 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.43 1quw h GLU 41 Cb 0.39 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 1quw h GLU 41 CO 0.01 0.80 0.02 0.35 -1.00 0.00 0.00 179.01 179.19 1quw h PHE 42 N 0.02 0.50 0.00 4.33 3.57 0.01 -1.46 116.94 123.90 1quw h PHE 42 Ca -0.01 -0.08 -0.03 0.00 3.53 0.00 0.00 57.97 61.38 1quw h PHE 42 Cb 1.39 -0.13 -0.00 0.00 2.79 0.00 0.00 35.95 39.99 1quw h PHE 42 CO 0.00 0.59 -0.15 0.00 -2.23 0.00 0.00 178.31 176.53 1quw h ALA 43 N 0.84 1.13 -0.13 2.41 0.00 -1.11 -2.36 119.26 120.05 1quw h ALA 43 Ca 0.08 -0.14 -0.17 0.00 0.00 0.00 0.00 54.91 54.68 1quw h ALA 43 Cb 0.38 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1quw h ALA 43 CO 0.01 0.19 -0.63 1.49 0.00 0.00 0.00 179.25 180.31 1quw h GLU 44 N 0.00 0.46 0.03 0.00 4.81 -1.23 -1.54 114.58 117.10 1quw h GLU 44 Ca -0.00 -0.32 -0.00 0.00 -0.13 0.00 0.00 59.36 58.90 1quw h GLU 44 Cb 0.51 0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.94 1quw h GLU 44 CO 0.02 0.94 -0.01 0.00 -0.73 0.00 0.00 179.01 179.22 1quw h ALA 45 N 0.98 -0.04 0.00 2.92 0.00 -0.76 -3.38 119.26 118.98 1quw h ALA 45 Ca -0.01 -0.31 -0.09 0.00 0.00 0.00 0.00 54.91 54.50 1quw h ALA 45 Cb 1.18 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 1quw h ALA 45 CO 0.11 -0.19 -0.54 0.45 0.00 0.00 0.00 179.25 179.09 1quw h HIS 46 N -0.71 0.00 0.00 0.00 3.86 -1.62 -3.47 115.15 113.22 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 0.64 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.11 1quw h HIS 46 CO 0.15 0.91 0.00 0.00 0.86 0.00 0.00 177.93 179.84 1quw n ALA 47 N -3.07 0.00 1.15 2.45 0.00 -0.58 -3.47 120.51 116.99 1quw n ALA 47 Ca -0.16 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.29 1quw n ALA 47 Cb 0.46 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.97 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 2.90 1.22 0.00 0.00 5.68 -1.26 -3.64 116.55 121.45 1quw n ASP 48 Ca 0.00 -2.08 0.00 0.00 -0.50 0.00 0.00 54.79 52.21 1quw n ASP 48 Cb 0.00 -0.31 0.00 0.00 -1.14 0.00 0.00 41.12 39.67 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 -0.02 3.30 -4.60 0.11 3.00 -1.23 -5.01 118.16 113.70 1quw n LYS 49 Ca 0.04 0.00 -0.30 0.00 -0.00 0.00 0.00 58.31 58.05 1quw n LYS 49 Cb 0.26 -0.94 -0.17 0.00 0.00 0.00 0.00 35.03 34.18 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 -1.88 1.75 -0.79 3.15 0.11 -1.24 -4.80 120.40 116.70 1quw s VAL 50 Ca 0.00 -0.80 -0.18 0.00 -2.93 0.00 0.00 61.98 58.07 1quw s VAL 50 Cb 0.00 -1.57 0.13 0.00 -1.53 0.00 0.00 36.38 33.42 1quw s VAL 50 CO 0.00 0.49 0.92 -0.89 -3.33 0.00 0.00 175.10 172.29 1quw s THR 51 N 0.86 4.89 -0.69 5.04 2.01 -1.25 -4.55 115.64 121.95 1quw s THR 51 Ca -0.08 -1.46 -0.24 0.00 0.31 0.00 0.00 61.69 60.22 1quw s THR 51 Cb -0.15 -4.63 0.06 0.00 0.01 0.00 0.00 72.50 67.79 1quw s THR 51 CO -0.01 -1.30 1.05 -0.69 -0.69 0.00 0.00 174.62 172.98 1quw s VAL 52 N 2.33 4.17 0.53 3.82 1.01 -1.26 -1.07 120.40 129.93 1quw s VAL 52 Ca 0.23 -0.20 0.04 0.00 0.00 0.00 0.00 61.98 62.05 1quw s VAL 52 Cb -0.12 -4.75 0.02 0.00 0.00 0.00 0.00 36.38 31.52 1quw s VAL 52 CO -0.03 -1.57 0.29 0.00 0.00 0.00 0.00 175.10 173.79 1quw s ALA 53 N 4.47 4.31 -0.17 5.51 0.00 0.03 -1.20 121.76 134.70 1quw s ALA 53 Ca 0.26 -1.06 -0.05 0.00 0.00 0.00 0.00 51.96 51.11 1quw s ALA 53 Cb -0.14 -0.51 0.07 0.00 0.00 0.00 0.00 23.12 22.53 1quw s ALA 53 CO 0.11 -0.32 0.12 0.15 0.00 0.00 0.00 175.76 175.82 1quw s LYS 54 N -4.15 0.09 -0.09 0.00 -0.14 0.00 -0.73 119.74 114.71 1quw s LYS 54 Ca 0.27 0.01 0.03 0.00 -1.36 0.00 0.00 55.97 54.92 1quw s LYS 54 Cb -0.01 -1.62 -0.01 0.00 -1.68 0.00 0.00 37.83 34.52 1quw s LYS 54 CO 0.16 -0.65 -0.20 -1.17 -0.76 0.00 0.00 175.35 172.73 1quw s LEU 55 N 2.19 2.31 -0.15 3.17 0.20 -1.16 -0.72 118.68 124.51 1quw s LEU 55 Ca 0.03 -0.45 -0.27 0.00 0.69 0.00 0.00 54.13 54.13 1quw s LEU 55 Cb -0.16 -1.47 -0.01 0.00 -0.43 0.00 0.00 46.19 44.12 1quw s LEU 55 CO -0.09 0.20 0.91 0.20 -0.29 0.00 0.00 176.35 177.27 1quw s ASN 56 N 0.13 7.07 0.47 3.68 -0.87 -1.26 -3.22 114.94 120.94 1quw s ASN 56 Ca -0.11 1.31 0.13 0.00 -1.57 0.00 0.00 52.86 52.63 1quw s ASN 56 Cb -0.16 -2.50 1.08 0.00 -0.02 0.00 0.00 41.25 39.65 1quw s ASN 56 CO 0.06 -0.43 2.06 -0.37 -2.57 0.00 0.00 177.10 175.85 1quw h VAL 57 N 5.17 1.07 0.12 1.60 -1.51 -1.67 -1.21 116.25 119.82 1quw h VAL 57 Ca -0.29 -0.30 -0.26 0.00 -1.23 0.00 0.00 66.70 64.62 1quw h VAL 57 Cb 1.13 1.05 0.00 0.00 -2.13 0.00 0.00 31.29 31.34 1quw h VAL 57 CO 0.85 0.09 -1.33 -0.78 -1.23 0.00 0.00 177.57 175.18 1quw h ASP 58 N 0.11 0.40 0.02 4.19 1.82 -1.91 -3.36 116.42 117.67 1quw h ASP 58 Ca 0.03 -0.87 -0.21 0.00 -0.39 0.00 0.00 57.03 55.59 1quw h ASP 58 Cb 0.13 -0.13 0.02 0.00 0.68 0.00 0.00 39.33 40.03 1quw h ASP 58 CO 0.00 1.59 -0.85 -0.08 -1.61 0.00 0.00 179.24 178.30 1quw h GLU 59 N -0.31 0.54 -4.39 0.28 4.81 -1.93 -3.39 114.58 110.18 1quw h GLU 59 Ca -0.28 -0.61 -0.70 0.00 -0.13 0.00 0.00 59.36 57.64 1quw h GLU 59 Cb 1.75 0.18 -0.34 0.00 0.63 0.00 0.00 28.75 30.96 1quw h GLU 59 CO 0.07 1.23 -0.52 -0.80 -0.73 0.00 0.00 179.01 178.26 1quw s ASN 60 N -7.04 5.28 0.00 1.04 0.01 -0.46 -4.96 114.94 108.81 1quw s ASN 60 Ca -0.12 -2.10 0.23 0.00 -0.71 0.00 0.00 52.86 50.16 1quw s ASN 60 Cb 0.05 -1.84 0.60 0.00 0.41 0.00 0.00 41.25 40.47 1quw s ASN 60 CO 0.87 -0.54 1.51 -0.81 -1.51 0.00 0.00 177.10 176.63 1quw n PRO 61 N 4.52 2.69 0.08 -0.60 -0.04 -1.26 -4.46 135.00 135.93 1quw n PRO 61 Ca -0.02 -2.59 -0.16 0.00 -0.04 0.00 0.00 63.50 60.69 1quw n PRO 61 Cb 0.41 -1.56 -0.14 0.00 -0.04 0.00 0.00 33.50 32.17 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 4.35 0.25 0.07 0.54 -0.00 -1.93 -2.88 114.58 114.98 1quw h GLU 62 Ca 0.00 -0.43 -0.27 0.00 -0.00 0.00 0.00 59.36 58.67 1quw h GLU 62 Cb 0.99 0.16 -0.01 0.00 -0.00 0.00 0.00 28.75 29.89 1quw h GLU 62 CO 0.00 1.14 -1.30 0.00 -0.00 0.00 0.00 179.01 178.85 1quw h THR 63 N 0.07 1.39 0.00 -1.06 1.03 -1.94 -3.09 112.91 109.31 1quw h THR 63 Ca -0.19 -3.06 -0.05 0.00 -0.01 0.00 0.00 66.41 63.10 1quw h THR 63 Cb 1.99 2.81 -0.01 0.00 -1.07 0.00 0.00 68.15 71.87 1quw h THR 63 CO 0.18 0.85 -0.23 0.00 -0.01 0.00 0.00 175.52 176.31 1quw h THR 64 N 0.04 0.80 0.00 0.00 1.03 -1.81 -1.97 112.91 111.00 1quw h THR 64 Ca -0.15 -0.94 -0.15 0.00 -0.01 0.00 0.00 66.41 65.17 1quw h THR 64 Cb 1.93 1.57 -0.02 0.00 -1.07 0.00 0.00 68.15 70.56 1quw h THR 64 CO 0.16 0.23 -0.70 0.77 -0.01 0.00 0.00 175.52 175.97 1quw h SER 65 N 0.00 0.00 -0.02 0.00 4.64 -1.52 0.35 113.55 116.99 1quw h SER 65 Ca -0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 1quw h SER 65 Cb 0.55 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.64 1quw h SER 65 CO 0.03 0.70 -0.02 1.56 -0.87 0.00 0.00 176.83 178.23 1quw h GLN 66 N 0.00 0.05 0.13 4.77 1.08 -1.32 -3.34 115.11 116.48 1quw h GLN 66 Ca -0.01 -0.03 -0.31 0.00 -1.45 0.00 0.00 58.65 56.86 1quw h GLN 66 Cb 1.25 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.67 1quw h GLN 66 CO 0.09 0.51 -1.53 0.74 -0.95 0.00 0.00 178.83 177.69 1quw h PHE 67 N -0.41 0.49 -2.68 2.96 0.04 -1.43 -3.50 116.94 112.42 1quw h PHE 67 Ca 0.00 -0.36 0.00 0.00 2.80 0.00 0.00 57.97 60.42 1quw h PHE 67 Cb 0.50 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.63 1quw h PHE 67 CO 0.09 1.40 0.00 0.41 -0.60 0.00 0.00 178.31 179.61 1quw n GLY 68 N 1.67 -0.44 3.56 -1.45 0.00 0.12 -4.99 105.19 103.67 1quw n GLY 68 Ca -0.16 -0.19 -0.43 0.00 0.00 0.00 0.00 46.02 45.24 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 -1.45 4.66 -0.29 -0.61 -1.09 -1.18 -4.90 121.20 116.33 1quw s ILE 69 Ca 0.00 0.63 0.22 0.00 -2.23 0.00 0.00 60.65 59.28 1quw s ILE 69 Cb 0.00 -4.29 -0.18 0.00 -1.58 0.00 0.00 42.46 36.41 1quw s ILE 69 CO 0.00 -0.63 0.81 0.23 -1.23 0.00 0.00 174.94 174.12 1quw n MET 70 N 6.66 0.51 -3.34 2.79 2.81 -1.26 -4.84 117.12 120.45 1quw n MET 70 Ca 0.03 -0.04 -0.13 0.00 -1.81 0.00 0.00 57.70 55.75 1quw n MET 70 Cb 0.48 -1.63 -0.07 0.00 -0.71 0.00 0.00 33.22 31.29 1quw n MET 70 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1quw s SER 71 N -4.53 0.93 0.40 7.83 0.15 -1.26 -5.13 113.70 112.08 1quw s SER 71 Ca -0.02 -0.59 -0.21 0.00 0.70 0.00 0.00 55.95 55.83 1quw s SER 71 Cb 0.13 0.85 -0.11 0.00 -1.71 0.00 0.00 66.02 65.18 1quw s SER 71 CO 0.84 -0.36 0.92 0.27 1.20 0.00 0.00 173.24 176.11 1quw s ILE 72 N 2.42 4.41 0.29 6.45 -5.25 -1.26 -3.94 121.20 124.32 1quw s ILE 72 Ca 0.10 1.46 -0.20 0.00 -0.99 0.00 0.00 60.65 61.02 1quw s ILE 72 Cb -0.13 -3.66 -0.09 0.00 2.95 0.00 0.00 42.46 41.53 1quw s ILE 72 CO -0.30 -0.23 0.80 -2.16 -1.79 0.00 0.00 174.94 171.25 1quw s PRO 73 N -2.98 4.25 -0.12 0.37 0.04 -1.26 -4.82 135.00 130.48 1quw s PRO 73 Ca 0.59 0.94 0.01 0.00 0.04 0.00 0.00 61.00 62.58 1quw s PRO 73 Cb -0.11 -2.66 0.02 0.00 0.04 0.00 0.00 34.50 31.79 1quw s PRO 73 CO 0.15 0.26 -0.15 0.99 0.04 0.00 0.00 177.00 178.29 1quw s THR 74 N -1.74 1.51 -0.27 1.26 2.01 -0.60 -3.23 115.64 114.59 1quw s THR 74 Ca 0.49 -0.63 -0.10 0.00 0.31 0.00 0.00 61.69 61.76 1quw s THR 74 Cb -0.14 -1.39 -0.05 0.00 0.01 0.00 0.00 72.50 70.93 1quw s THR 74 CO 0.20 0.44 0.17 -0.76 -0.69 0.00 0.00 174.62 173.98 1quw s LEU 75 N 1.14 3.97 -0.06 4.42 2.01 -1.13 -0.61 118.68 128.41 1quw s LEU 75 Ca -0.03 -0.01 -0.00 0.00 0.01 0.00 0.00 54.13 54.10 1quw s LEU 75 Cb -0.14 -2.09 0.03 0.00 0.01 0.00 0.00 46.19 43.99 1quw s LEU 75 CO -0.04 -0.02 -0.02 -0.63 1.01 0.00 0.00 176.35 176.65 1quw s ILE 76 N 1.58 0.46 -0.18 -0.59 1.01 -0.90 -2.98 121.20 119.60 1quw s ILE 76 Ca 0.07 -0.00 -0.09 0.00 0.00 0.00 0.00 60.65 60.63 1quw s ILE 76 Cb -0.15 -0.55 -0.05 0.00 0.01 0.00 0.00 42.46 41.72 1quw s ILE 76 CO 0.09 0.24 0.11 -0.22 0.00 0.00 0.00 174.94 175.16 1quw s LEU 77 N 1.45 4.13 -0.01 2.97 0.20 -1.21 -0.82 118.68 125.41 1quw s LEU 77 Ca -0.03 0.23 0.04 0.00 0.69 0.00 0.00 54.13 55.06 1quw s LEU 77 Cb -0.13 -2.05 -0.03 0.00 -0.43 0.00 0.00 46.19 43.54 1quw s LEU 77 CO -0.03 0.21 -0.10 -0.36 -0.29 0.00 0.00 176.35 175.78 1quw s PHE 78 N 0.14 2.80 0.00 5.38 0.08 -0.30 -0.53 117.98 125.56 1quw s PHE 78 Ca 0.08 -0.09 0.00 0.00 0.12 0.00 0.00 56.93 57.04 1quw s PHE 78 Cb -0.11 -1.60 0.00 0.00 -0.57 0.00 0.00 43.02 40.73 1quw s PHE 78 CO -0.01 0.31 0.00 1.17 -0.10 0.00 0.00 175.22 176.59 1quw n LYS 79 N 1.79 0.00 -3.00 0.44 4.81 -1.00 -0.93 118.16 120.27 1quw n LYS 79 Ca -0.16 0.03 -0.27 0.00 -0.87 0.00 0.00 58.31 57.03 1quw n LYS 79 Cb 0.52 -0.26 -0.04 0.00 0.02 0.00 0.00 35.03 35.27 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 2.14 5.50 2.03 3.14 0.00 -1.26 -4.28 105.19 112.46 1quw n GLY 80 Ca 0.00 -2.77 -0.07 0.00 0.00 0.00 0.00 46.02 43.18 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 -0.11 0.40 2.98 -0.02 0.00 -0.73 -4.88 105.19 102.82 1quw n GLY 81 Ca 0.31 -0.36 -0.08 0.00 0.00 0.00 0.00 46.02 45.88 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 -5.11 0.36 -0.22 1.61 3.00 -1.26 -5.07 118.95 112.25 1quw s ARG 82 Ca 0.13 0.63 -0.29 0.00 -1.00 0.00 0.00 55.73 55.20 1quw s ARG 82 Cb -0.06 -0.31 -0.02 0.00 0.00 0.00 0.00 34.95 34.56 1quw s ARG 82 CO 0.23 -0.59 1.51 -1.25 0.00 0.00 0.00 175.30 175.20 1quw s PRO 83 N 2.57 3.90 -0.09 5.12 0.04 -1.26 -2.37 135.00 142.91 1quw s PRO 83 Ca 0.11 1.60 -0.27 0.00 0.04 0.00 0.00 61.00 62.48 1quw s PRO 83 Cb -0.15 -3.97 -0.25 0.00 0.04 0.00 0.00 34.50 30.18 1quw s PRO 83 CO -0.16 -1.16 0.94 -0.39 0.04 0.00 0.00 177.00 176.27 1quw h VAL 84 N 5.99 1.64 -3.33 -0.36 -1.51 -1.19 -3.47 116.25 114.02 1quw h VAL 84 Ca -0.31 -2.04 -0.14 0.00 -1.23 0.00 0.00 66.70 62.97 1quw h VAL 84 Cb 1.14 2.99 -0.22 0.00 -2.13 0.00 0.00 31.29 33.07 1quw h VAL 84 CO 1.00 0.54 -0.43 -0.54 -1.23 0.00 0.00 177.57 176.92 1quw s LYS 85 N -2.84 0.49 -0.19 5.19 1.02 -1.26 -5.04 119.74 117.10 1quw s LYS 85 Ca -0.17 -0.20 -0.02 0.00 0.02 0.00 0.00 55.97 55.60 1quw s LYS 85 Cb -0.01 0.21 0.06 0.00 -0.52 0.00 0.00 37.83 37.57 1quw s LYS 85 CO 0.71 -0.12 -0.00 -1.14 -0.92 0.00 0.00 175.35 173.89 1quw s GLN 86 N -1.06 1.01 0.02 1.68 0.74 -1.26 -3.29 119.66 117.49 1quw s GLN 86 Ca -0.11 -0.55 0.05 0.00 0.05 0.00 0.00 55.36 54.79 1quw s GLN 86 Cb -0.06 -2.16 -0.02 0.00 1.10 0.00 0.00 33.01 31.88 1quw s GLN 86 CO 0.02 -0.58 -0.14 -0.48 -0.55 0.00 0.00 175.29 173.56 1quw s LEU 87 N 1.72 2.12 0.18 3.68 0.05 -1.16 -5.04 118.68 120.23 1quw s LEU 87 Ca -0.02 -0.38 0.01 0.00 0.05 0.00 0.00 54.13 53.79 1quw s LEU 87 Cb -0.17 -0.62 -0.05 0.00 -2.05 0.00 0.00 46.19 43.31 1quw s LEU 87 CO -0.07 0.07 0.04 0.27 -0.55 0.00 0.00 176.35 176.11 1quw s ILE 88 N -0.67 0.49 0.00 1.48 -0.00 -1.26 -2.83 121.20 118.40 1quw s ILE 88 Ca 0.03 -1.97 0.00 0.00 -0.00 0.00 0.00 60.65 58.71 1quw s ILE 88 Cb -0.07 -2.22 0.00 0.00 -0.00 0.00 0.00 42.46 40.17 1quw s ILE 88 CO 0.01 -0.36 0.00 0.61 -0.00 0.00 0.00 174.94 175.20 1quw n GLY 89 N -0.25 0.81 3.61 6.27 0.00 -1.20 -4.83 105.19 109.60 1quw n GLY 89 Ca -0.05 -1.92 -0.43 0.00 0.00 0.00 0.00 46.02 43.62 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 -2.00 2.62 -0.15 1.61 5.04 -1.26 -4.91 117.35 118.29 1quw s TYR 90 Ca 0.00 0.74 0.01 0.00 -2.44 0.00 0.00 57.07 55.38 1quw s TYR 90 Cb 0.00 -4.27 0.00 0.00 0.35 0.00 0.00 41.96 38.04 1quw s TYR 90 CO 0.00 -1.64 -0.17 1.14 -1.34 0.00 0.00 175.55 173.54 1quw s GLN 91 N 4.61 3.17 1.26 4.97 -2.07 -1.26 -5.10 119.66 125.23 1quw s GLN 91 Ca 0.55 -0.78 -0.17 0.00 -1.82 0.00 0.00 55.36 53.15 1quw s GLN 91 Cb -0.12 -2.57 0.29 0.00 -1.09 0.00 0.00 33.01 29.52 1quw s GLN 91 CO 0.30 0.02 0.78 -2.30 -1.32 0.00 0.00 175.29 172.77 1quw n PRO 92 N 4.02 -3.09 -0.34 9.60 -0.02 -1.26 -4.50 135.00 139.41 1quw n PRO 92 Ca -0.19 -0.89 0.11 0.00 -2.02 0.00 0.00 63.50 60.51 1quw n PRO 92 Cb 0.52 -1.98 0.29 0.00 -0.02 0.00 0.00 33.50 32.30 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 -2.90 0.71 0.00 -0.52 3.64 -1.98 0.63 116.57 116.14 1quw h LYS 93 Ca -0.54 -0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 58.75 1quw h LYS 93 Cb 1.31 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.96 1quw h LYS 93 CO 0.40 0.47 -0.24 0.93 -2.27 0.00 0.00 179.45 178.73 1quw h GLU 94 N 0.73 0.00 -0.08 1.90 5.08 -1.99 0.55 114.58 120.77 1quw h GLU 94 Ca 0.54 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.68 1quw h GLU 94 Cb 0.82 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.08 1quw h GLU 94 CO -0.38 0.24 -0.86 1.96 -1.00 0.00 0.00 179.01 178.97 1quw h GLN 95 N 0.00 0.64 -0.39 2.33 1.08 -1.21 -2.97 115.11 114.59 1quw h GLN 95 Ca -0.00 -0.59 0.01 0.00 -1.45 0.00 0.00 58.65 56.63 1quw h GLN 95 Cb 0.43 0.14 -0.03 0.00 -0.05 0.00 0.00 27.48 27.98 1quw h GLN 95 CO 0.03 1.20 0.24 -0.07 -0.95 0.00 0.00 178.83 179.28 1quw h LEU 96 N 0.41 0.39 -0.73 1.46 -0.00 -0.61 -2.54 115.31 113.69 1quw h LEU 96 Ca -0.07 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.80 1quw h LEU 96 Cb 1.49 -0.08 -0.03 0.00 -0.00 0.00 0.00 40.66 42.03 1quw h LEU 96 CO 0.17 0.28 0.41 -0.33 -0.00 0.00 0.00 178.44 178.97 1quw h GLU 97 N 0.48 1.00 -0.46 1.13 5.08 -0.87 0.13 114.58 121.07 1quw h GLU 97 Ca 0.15 -0.11 -0.05 0.00 -1.00 0.00 0.00 59.36 58.36 1quw h GLU 97 Cb -0.00 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.03 1quw h GLU 97 CO -0.07 0.73 0.09 0.00 -1.00 0.00 0.00 179.01 178.77 1quw h ALA 98 N 1.21 0.61 0.12 3.43 0.00 -1.52 -2.12 119.26 120.99 1quw h ALA 98 Ca 0.26 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1quw h ALA 98 Cb 0.01 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.63 1quw h ALA 98 CO -0.04 0.31 -0.06 0.37 0.00 0.00 0.00 179.25 179.83 1quw h GLN 99 N 0.62 -0.16 0.00 0.00 5.75 -0.94 -3.23 115.11 117.15 1quw h GLN 99 Ca 0.14 0.01 -0.15 0.00 -0.15 0.00 0.00 58.65 58.50 1quw h GLN 99 Cb 0.36 0.04 -0.02 0.00 1.07 0.00 0.00 27.48 28.92 1quw h GLN 99 CO 0.01 0.06 -0.72 -0.07 -2.65 0.00 0.00 178.83 175.46 1quw h LEU 100 N -0.36 0.00 -1.86 -2.39 -0.00 -0.82 -3.01 115.31 106.86 1quw h LEU 100 Ca -0.02 0.00 0.05 0.00 -0.00 0.00 0.00 57.88 57.91 1quw h LEU 100 Cb 0.29 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.94 1quw h LEU 100 CO 0.03 0.72 0.20 0.00 -0.00 0.00 0.00 178.44 179.38 1quw h ALA 101 N 1.28 2.04 -0.42 1.53 0.00 -1.44 -0.31 119.26 121.95 1quw h ALA 101 Ca -0.01 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 1quw h ALA 101 Cb 1.50 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.23 1quw h ALA 101 CO 0.09 -0.10 0.03 0.22 0.00 0.00 0.00 179.25 179.50 1quw h ASP 102 N 0.18 0.69 0.82 0.00 3.58 -1.54 -3.25 116.42 116.90 1quw h ASP 102 Ca 0.13 -0.28 -0.18 0.00 0.42 0.00 0.00 57.03 57.11 1quw h ASP 102 Cb 0.28 -0.18 -0.03 0.00 1.72 0.00 0.00 39.33 41.11 1quw h ASP 102 CO -0.02 0.80 -1.28 -0.37 -2.88 0.00 0.00 179.24 175.49 1quw h VAL 103 N 0.56 0.69 0.00 2.25 -1.51 -1.55 -3.35 116.25 113.33 1quw h VAL 103 Ca 0.12 -2.23 0.00 0.00 -1.23 0.00 0.00 66.70 63.37 1quw h VAL 103 Cb 0.43 2.20 0.00 0.00 -2.13 0.00 0.00 31.29 31.79 1quw h VAL 103 CO 0.01 0.39 -0.03 0.18 -1.23 0.00 0.00 177.57 176.90 1quw n LEU 104 N -3.00 0.13 0.00 4.19 4.77 -0.17 -5.09 117.00 117.84 1quw n LEU 104 Ca -0.08 0.48 0.00 0.00 -0.03 0.00 0.00 56.01 56.38 1quw n LEU 104 Cb 0.86 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 41.49 1quw n LEU 104 CO 0.43 -0.02 0.09 0.00 -1.33 0.00 0.00 177.39 176.56