#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 5.41 0.43 0.00 -4.23 -1.26 -4.49 115.64 111.51 1quw s THR 2 Ca 0.00 -0.21 0.01 0.00 -1.18 0.00 0.00 61.69 60.31 1quw s THR 2 Cb 0.00 -3.55 -0.01 0.00 1.34 0.00 0.00 72.50 70.28 1quw s THR 2 CO 0.00 0.29 0.64 -0.32 -0.54 0.00 0.00 174.62 174.69 1quw s MET 3 N -2.05 3.10 -0.14 3.99 -2.45 -0.43 -4.97 119.30 116.35 1quw s MET 3 Ca 0.29 -0.54 -0.01 0.00 -1.25 0.00 0.00 55.69 54.18 1quw s MET 3 Cb -0.13 -2.59 0.04 0.00 1.25 0.00 0.00 34.83 33.40 1quw s MET 3 CO 0.21 -0.21 -0.03 0.99 1.05 0.00 0.00 175.02 177.03 1quw s THR 4 N -2.50 0.84 0.41 10.11 2.01 -1.26 -1.78 115.64 123.47 1quw s THR 4 Ca 0.47 -0.36 0.08 0.00 0.31 0.00 0.00 61.69 62.19 1quw s THR 4 Cb -0.10 -1.02 -0.01 0.00 0.01 0.00 0.00 72.50 71.38 1quw s THR 4 CO 0.37 0.17 0.44 -0.76 -0.69 0.00 0.00 174.62 174.15 1quw s LEU 5 N 1.76 3.51 0.21 4.42 1.02 0.25 -4.86 118.68 124.98 1quw s LEU 5 Ca 0.03 -0.61 -0.15 0.00 0.02 0.00 0.00 54.13 53.41 1quw s LEU 5 Cb -0.14 -2.28 0.01 0.00 0.02 0.00 0.00 46.19 43.80 1quw s LEU 5 CO -0.07 -0.66 0.49 0.28 0.02 0.00 0.00 176.35 176.40 1quw s THR 6 N -2.42 0.02 0.31 5.49 -1.32 -1.26 -4.39 115.64 112.07 1quw s THR 6 Ca 0.50 -1.09 0.08 0.00 -1.21 0.00 0.00 61.69 59.96 1quw s THR 6 Cb -0.06 -1.86 0.37 0.00 -1.51 0.00 0.00 72.50 69.44 1quw s THR 6 CO 0.29 -0.10 1.45 -0.90 -2.21 0.00 0.00 174.62 173.16 1quw n ASP 7 N -0.35 0.04 -0.07 8.08 5.75 -1.26 0.10 116.55 128.84 1quw n ASP 7 Ca -0.06 1.56 -0.20 0.00 -0.01 0.00 0.00 54.79 56.07 1quw n ASP 7 Cb 0.62 -0.63 -0.12 0.00 -1.03 0.00 0.00 41.12 39.96 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 1.84 0.21 0.00 2.12 0.00 -2.01 -3.30 119.26 118.12 1quw h ALA 8 Ca 0.64 -1.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.42 1quw h ALA 8 Cb 1.47 0.55 -0.01 0.00 0.00 0.00 0.00 17.79 19.80 1quw h ALA 8 CO -0.81 0.62 -0.28 -0.97 0.00 0.00 0.00 179.25 177.81 1quw h ASN 9 N -0.82 0.00 -0.44 0.00 -1.24 -1.81 -2.89 115.58 108.38 1quw h ASN 9 Ca -0.28 0.00 0.06 0.00 0.71 0.00 0.00 56.30 56.79 1quw h ASN 9 Cb 1.37 0.00 -0.05 0.00 0.73 0.00 0.00 38.32 40.36 1quw h ASN 9 CO -0.11 0.28 0.14 0.15 -1.29 0.00 0.00 177.43 176.60 1quw h PHE 10 N 0.00 0.24 -0.41 0.67 3.57 0.52 0.36 116.94 121.88 1quw h PHE 10 Ca -0.00 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.46 1quw h PHE 10 Cb 0.60 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.28 1quw h PHE 10 CO 0.00 0.07 0.01 1.96 -2.23 0.00 0.00 178.31 178.13 1quw h GLN 11 N 0.29 0.65 0.00 1.11 4.20 -1.58 -2.04 115.11 117.74 1quw h GLN 11 Ca 0.21 -0.15 -0.12 0.00 0.06 0.00 0.00 58.65 58.65 1quw h GLN 11 Cb 0.22 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.90 1quw h GLN 11 CO -0.23 0.66 -0.59 0.37 -0.67 0.00 0.00 178.83 178.37 1quw h GLN 12 N 0.62 0.00 -0.04 1.46 4.15 -1.43 -3.24 115.11 116.63 1quw h GLN 12 Ca 0.13 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.53 1quw h GLN 12 Cb 0.37 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.06 1quw h GLN 12 CO 0.01 0.59 -0.07 0.00 -1.93 0.00 0.00 178.83 177.43 1quw h ALA 13 N 1.41 0.06 0.00 3.38 0.00 0.38 -3.29 119.26 121.21 1quw h ALA 13 Ca -0.01 -0.30 -0.09 0.00 0.00 0.00 0.00 54.91 54.51 1quw h ALA 13 Cb 1.32 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 1quw h ALA 13 CO 0.08 -0.11 -0.43 -0.84 0.00 0.00 0.00 179.25 177.95 1quw h ILE 14 N -0.39 0.89 0.00 0.00 3.07 -1.57 -3.12 117.51 116.39 1quw h ILE 14 Ca 0.00 -1.79 0.00 0.00 1.55 0.00 0.00 64.86 64.62 1quw h ILE 14 Cb 0.63 2.11 0.00 0.00 -0.27 0.00 0.00 36.82 39.29 1quw h ILE 14 CO 0.02 0.42 0.00 0.00 -1.05 0.00 0.00 178.15 177.54 1quw n GLN 15 N -3.42 0.04 0.00 0.16 1.13 -1.22 -0.77 117.38 113.30 1quw n GLN 15 Ca 0.00 0.17 0.00 0.00 -1.94 0.00 0.00 57.00 55.24 1quw n GLN 15 Cb 0.59 -1.56 0.00 0.00 0.11 0.00 0.00 30.24 29.38 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 0.67 -2.32 2.01 1.08 0.00 -1.18 -4.68 105.19 100.77 1quw n GLY 16 Ca 0.05 0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1quw n GLY 16 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1quw n ASP 17 N -0.14 -0.21 -4.86 1.61 2.03 -1.26 -5.00 116.55 108.72 1quw n ASP 17 Ca 0.00 0.05 -0.29 0.00 0.52 0.00 0.00 54.79 55.06 1quw n ASP 17 Cb 0.00 0.65 0.09 0.00 -0.72 0.00 0.00 41.12 41.14 1quw n ASP 17 CO 0.00 0.00 0.00 -1.59 -1.92 0.00 0.00 177.20 173.69 1quw s LYS 18 N -1.05 2.03 0.26 -0.67 -2.85 -1.26 -4.36 119.74 111.84 1quw s LYS 18 Ca 0.00 0.30 -0.30 0.00 -1.00 0.00 0.00 55.97 54.97 1quw s LYS 18 Cb 0.00 -1.94 -0.13 0.00 -2.06 0.00 0.00 37.83 33.69 1quw s LYS 18 CO 0.00 -1.58 1.32 -2.30 0.10 0.00 0.00 175.35 172.88 1quw n PRO 19 N -3.35 1.89 -3.81 1.78 -0.02 -1.26 -4.76 135.00 125.48 1quw n PRO 19 Ca 0.07 0.67 -0.27 0.00 -2.02 0.00 0.00 63.50 61.96 1quw n PRO 19 Cb 0.59 -2.27 -0.17 0.00 -0.02 0.00 0.00 33.50 31.64 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 -0.39 0.74 -0.30 -1.45 1.01 0.37 -3.85 120.40 116.53 1quw s VAL 20 Ca 0.65 -0.45 -0.24 0.00 0.00 0.00 0.00 61.98 61.94 1quw s VAL 20 Cb -0.66 -1.04 0.00 0.00 0.00 0.00 0.00 36.38 34.69 1quw s VAL 20 CO 0.54 0.03 0.83 -0.22 0.00 0.00 0.00 175.10 176.27 1quw s LEU 21 N 1.79 4.07 -0.08 3.92 0.20 0.21 -1.33 118.68 127.45 1quw s LEU 21 Ca 0.01 0.76 -0.20 0.00 0.69 0.00 0.00 54.13 55.39 1quw s LEU 21 Cb -0.15 -3.15 -0.04 0.00 -0.43 0.00 0.00 46.19 42.42 1quw s LEU 21 CO -0.07 -0.63 0.56 -0.69 -0.29 0.00 0.00 176.35 175.22 1quw s VAL 22 N 3.02 5.10 -0.43 1.68 1.01 -0.02 -0.11 120.40 130.65 1quw s VAL 22 Ca 0.34 1.13 -0.12 0.00 0.00 0.00 0.00 61.98 63.33 1quw s VAL 22 Cb -0.14 -3.89 0.06 0.00 0.00 0.00 0.00 36.38 32.41 1quw s VAL 22 CO 0.12 0.33 0.30 -1.81 0.00 0.00 0.00 175.10 174.04 1quw s ASP 23 N 0.47 5.87 -0.19 3.32 1.11 -0.40 -1.70 116.67 125.15 1quw s ASP 23 Ca 0.30 -1.31 -0.27 0.00 0.18 0.00 0.00 52.55 51.45 1quw s ASP 23 Cb -0.16 -2.08 -0.01 0.00 1.07 0.00 0.00 42.92 41.75 1quw s ASP 23 CO 0.14 -0.55 0.91 -0.36 1.18 0.00 0.00 175.17 176.49 1quw s PHE 24 N 1.54 3.39 0.33 4.23 0.08 -0.01 -2.30 117.98 125.23 1quw s PHE 24 Ca 0.03 1.34 -0.10 0.00 0.12 0.00 0.00 56.93 58.32 1quw s PHE 24 Cb -0.23 -3.12 0.02 0.00 -0.57 0.00 0.00 43.02 39.12 1quw s PHE 24 CO 0.05 -0.34 0.57 1.67 -0.10 0.00 0.00 175.22 177.08 1quw s TRP 25 N 2.56 0.56 0.05 0.36 1.48 -1.08 -1.45 118.94 121.42 1quw s TRP 25 Ca 0.41 -0.96 -0.02 0.00 -1.06 0.00 0.00 56.10 54.47 1quw s TRP 25 Cb -0.16 0.28 -0.03 0.00 -1.16 0.00 0.00 33.47 32.39 1quw s TRP 25 CO 0.10 -1.22 -0.00 0.00 -4.06 0.00 0.00 176.95 171.77 1quw s ALA 26 N -3.16 0.34 0.25 2.67 0.00 -1.26 -2.06 121.76 118.54 1quw s ALA 26 Ca 0.23 -1.01 0.17 0.00 0.00 0.00 0.00 51.96 51.35 1quw s ALA 26 Cb -0.02 0.26 0.69 0.00 0.00 0.00 0.00 23.12 24.05 1quw s ALA 26 CO 0.14 -0.34 1.75 0.00 0.00 0.00 0.00 175.76 177.32 1quw h ALA 27 N 3.42 1.08 -0.01 0.00 0.00 -2.01 -2.12 119.26 119.62 1quw h ALA 27 Ca -0.34 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.21 1quw h ALA 27 Cb 1.16 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1quw h ALA 27 CO 0.60 0.50 -0.07 -2.67 0.00 0.00 0.00 179.25 177.61 1quw n TRP 28 N -3.70 0.00 -1.50 0.00 4.27 -1.26 -4.95 117.44 110.31 1quw n TRP 28 Ca -0.01 0.00 -0.34 0.00 -3.89 0.00 0.00 57.50 53.26 1quw n TRP 28 Cb 0.49 -0.08 0.08 0.00 -1.36 0.00 0.00 31.31 30.44 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 0.15 -0.50 0.00 0.00 0.00 -1.26 -4.61 105.19 98.97 1quw n GLY 30 Ca 0.13 -0.17 0.07 0.00 0.00 0.00 0.00 46.02 46.05 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 -3.49 0.07 0.18 1.61 -0.04 -1.26 -1.99 135.00 130.08 1quw n PRO 31 Ca -0.07 0.22 0.02 0.00 -0.04 0.00 0.00 63.50 63.63 1quw n PRO 31 Cb 0.26 -1.50 0.34 0.00 -0.04 0.00 0.00 33.50 32.56 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 -0.33 0.00 -0.00 -1.66 -2.09 114.38 110.30 1quw h ARG 33 Ca -0.00 0.00 -0.03 0.00 -0.50 0.00 0.00 59.98 59.45 1quw h ARG 33 Cb 0.74 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 30.70 1quw h ARG 33 CO 0.05 0.49 0.10 0.52 0.00 0.00 0.00 179.97 181.12 1quw h MET 34 N 0.00 0.52 -0.04 0.04 2.86 -1.66 -2.62 114.93 114.03 1quw h MET 34 Ca -0.00 -0.12 0.00 0.00 -2.06 0.00 0.00 59.70 57.52 1quw h MET 34 Cb 0.99 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.57 1quw h MET 34 CO 0.06 0.56 0.00 0.00 1.06 0.00 0.00 176.91 178.60 1quw n MET 35 N -4.65 1.38 -0.10 1.72 0.00 -1.20 -4.15 117.12 110.11 1quw n MET 35 Ca -0.02 -0.56 -0.06 0.00 0.00 0.00 0.00 57.70 57.06 1quw n MET 35 Cb 0.18 -1.43 0.00 0.00 0.00 0.00 0.00 33.22 31.97 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 4.06 0.01 0.00 3.17 0.00 -0.97 -1.03 119.26 124.49 1quw h ALA 36 Ca 0.00 0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 1quw h ALA 36 Cb 0.27 0.52 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 1quw h ALA 36 CO 0.00 -0.61 -0.22 -1.00 0.00 0.00 0.00 179.25 177.42 1quw h PRO 37 N -0.17 0.00 -0.09 0.00 0.13 -1.76 -2.64 132.00 127.48 1quw h PRO 37 Ca 0.18 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 65.12 1quw h PRO 37 Cb 0.45 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.58 1quw h PRO 37 CO -0.47 0.22 -0.75 -0.39 -0.23 0.00 0.00 178.00 176.38 1quw h VAL 38 N 0.00 1.36 -0.64 1.56 -1.51 -1.69 -2.51 116.25 112.82 1quw h VAL 38 Ca -0.00 -2.13 -0.05 0.00 -1.23 0.00 0.00 66.70 63.29 1quw h VAL 38 Cb 0.85 2.11 -0.03 0.00 -2.13 0.00 0.00 31.29 32.09 1quw h VAL 38 CO 0.03 0.65 0.20 -0.07 -1.23 0.00 0.00 177.57 177.14 1quw h LEU 39 N 0.32 0.90 -0.51 4.19 3.38 -0.98 0.39 115.31 123.00 1quw h LEU 39 Ca -0.04 -0.16 -0.09 0.00 0.09 0.00 0.00 57.88 57.69 1quw h LEU 39 Cb 1.34 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.84 1quw h LEU 39 CO 0.13 0.85 -0.03 -0.33 0.09 0.00 0.00 178.44 179.15 1quw h GLU 40 N 0.94 0.92 0.00 1.13 4.39 -1.45 0.25 114.58 120.76 1quw h GLU 40 Ca 0.21 -0.31 -0.04 0.00 0.34 0.00 0.00 59.36 59.56 1quw h GLU 40 Cb 0.27 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.84 1quw h GLU 40 CO -0.01 0.96 -0.17 0.93 -1.16 0.00 0.00 179.01 179.57 1quw h GLU 41 N 0.79 0.00 0.03 2.33 4.39 -1.08 -3.12 114.58 117.92 1quw h GLU 41 Ca 0.14 0.00 -0.19 0.00 0.34 0.00 0.00 59.36 59.65 1quw h GLU 41 Cb 0.57 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.23 1quw h GLU 41 CO 0.03 0.17 -0.77 0.35 -1.16 0.00 0.00 179.01 177.63 1quw h PHE 42 N 0.00 0.72 0.00 4.33 3.57 0.78 -1.06 116.94 125.29 1quw h PHE 42 Ca -0.00 -0.41 -0.05 0.00 3.53 0.00 0.00 57.97 61.03 1quw h PHE 42 Cb 0.31 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 38.97 1quw h PHE 42 CO 0.00 1.25 -0.24 0.00 -2.23 0.00 0.00 178.31 177.09 1quw h ALA 43 N 0.30 1.50 -0.01 2.41 0.00 -1.01 -1.35 119.26 121.11 1quw h ALA 43 Ca -0.10 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1quw h ALA 43 Cb 1.48 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.24 1quw h ALA 43 CO 0.15 0.29 -0.33 0.39 0.00 0.00 0.00 179.25 179.76 1quw n GLU 44 N -4.09 0.82 -0.02 0.00 1.02 -1.18 -2.11 120.64 115.08 1quw n GLU 44 Ca -0.02 -0.53 -0.06 0.00 -0.02 0.00 0.00 57.16 56.54 1quw n GLU 44 Cb 0.30 -1.49 -0.05 0.00 -0.02 0.00 0.00 31.44 30.19 1quw n GLU 44 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1quw h ALA 45 N 3.65 -0.08 0.00 0.62 0.00 -0.04 -3.41 119.26 120.00 1quw h ALA 45 Ca 0.00 -0.16 -0.18 0.00 0.00 0.00 0.00 54.91 54.56 1quw h ALA 45 Cb 0.54 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 1quw h ALA 45 CO 0.00 -0.09 -1.06 0.45 0.00 0.00 0.00 179.25 178.55 1quw h HIS 46 N -0.99 0.00 0.00 0.00 3.86 -1.65 -3.47 115.15 112.90 1quw h HIS 46 Ca -0.01 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.20 1quw h HIS 46 Cb 0.36 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.83 1quw h HIS 46 CO 0.08 1.25 0.00 0.00 0.86 0.00 0.00 177.93 180.12 1quw n ALA 47 N -3.38 0.00 0.84 2.45 0.00 -0.90 -3.86 120.51 115.67 1quw n ALA 47 Ca -0.27 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.16 1quw n ALA 47 Cb 0.61 0.00 0.02 0.00 0.00 0.00 0.00 19.45 20.08 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 2.85 2.44 0.00 0.00 5.68 -1.26 -3.73 116.55 122.54 1quw n ASP 48 Ca 0.00 -2.10 0.00 0.00 -0.50 0.00 0.00 54.79 52.19 1quw n ASP 48 Cb 0.00 -0.52 0.00 0.00 -1.14 0.00 0.00 41.12 39.46 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 0.26 0.00 -4.58 0.11 3.00 -1.25 -5.09 118.16 110.61 1quw n LYS 49 Ca 0.04 0.00 -0.34 0.00 -0.00 0.00 0.00 58.31 58.01 1quw n LYS 49 Cb 0.49 -0.43 -0.11 0.00 0.00 0.00 0.00 35.03 34.99 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 -1.09 3.75 -0.36 3.15 0.11 -1.24 -4.58 120.40 120.13 1quw s VAL 50 Ca 0.00 -0.50 -0.06 0.00 -2.93 0.00 0.00 61.98 58.49 1quw s VAL 50 Cb 0.00 -2.55 0.06 0.00 -1.53 0.00 0.00 36.38 32.36 1quw s VAL 50 CO 0.00 0.57 0.13 -0.89 -3.33 0.00 0.00 175.10 171.59 1quw s THR 51 N -0.84 3.69 -0.80 5.04 2.01 -1.25 -4.51 115.64 118.98 1quw s THR 51 Ca 0.13 -1.35 -0.20 0.00 0.31 0.00 0.00 61.69 60.58 1quw s THR 51 Cb -0.11 -3.19 0.10 0.00 0.01 0.00 0.00 72.50 69.32 1quw s THR 51 CO 0.02 -0.30 1.03 -0.69 -0.69 0.00 0.00 174.62 173.99 1quw s VAL 52 N 1.35 4.57 0.56 3.82 1.01 -1.26 -0.62 120.40 129.83 1quw s VAL 52 Ca 0.00 -1.06 0.09 0.00 0.00 0.00 0.00 61.98 61.01 1quw s VAL 52 Cb -0.21 -4.72 0.09 0.00 0.00 0.00 0.00 36.38 31.54 1quw s VAL 52 CO 0.01 -1.46 0.75 0.00 0.00 0.00 0.00 175.10 174.40 1quw n ALA 53 N 7.00 1.17 -3.63 5.51 0.00 0.84 -1.31 120.51 130.08 1quw n ALA 53 Ca 0.11 -2.06 -0.23 0.00 0.00 0.00 0.00 53.44 51.26 1quw n ALA 53 Cb 0.47 0.59 -0.17 0.00 0.00 0.00 0.00 19.45 20.34 1quw n ALA 53 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1quw s LYS 54 N -4.53 0.01 -0.15 0.00 -0.14 -0.73 -1.27 119.74 112.93 1quw s LYS 54 Ca 0.57 0.15 0.02 0.00 -1.36 0.00 0.00 55.97 55.34 1quw s LYS 54 Cb -0.05 -1.21 0.01 0.00 -1.68 0.00 0.00 37.83 34.90 1quw s LYS 54 CO 0.36 -0.52 -0.19 -1.17 -0.76 0.00 0.00 175.35 173.07 1quw s LEU 55 N 2.17 2.25 -0.13 3.17 1.98 -0.97 -0.59 118.68 126.56 1quw s LEU 55 Ca 0.03 -0.55 -0.26 0.00 -2.89 0.00 0.00 54.13 50.46 1quw s LEU 55 Cb -0.14 -1.49 -0.02 0.00 0.66 0.00 0.00 46.19 45.20 1quw s LEU 55 CO -0.07 0.08 0.85 0.20 -1.89 0.00 0.00 176.35 175.52 1quw s ASN 56 N 0.82 7.04 0.42 3.68 -0.87 -1.26 -2.64 114.94 122.12 1quw s ASN 56 Ca -0.06 1.27 0.20 0.00 -1.57 0.00 0.00 52.86 52.70 1quw s ASN 56 Cb -0.15 -2.47 0.90 0.00 -0.02 0.00 0.00 41.25 39.50 1quw s ASN 56 CO -0.01 -0.35 1.84 -0.37 -2.57 0.00 0.00 177.10 175.63 1quw h VAL 57 N 5.09 0.84 0.10 1.60 -1.51 -1.65 -0.93 116.25 119.79 1quw h VAL 57 Ca -0.32 -1.20 -0.16 0.00 -1.23 0.00 0.00 66.70 63.79 1quw h VAL 57 Cb 1.15 1.73 0.02 0.00 -2.13 0.00 0.00 31.29 32.06 1quw h VAL 57 CO 0.82 0.29 -0.68 -0.78 -1.23 0.00 0.00 177.57 175.99 1quw h ASP 58 N 0.00 0.42 0.06 4.19 3.58 -1.91 -3.37 116.42 119.38 1quw h ASP 58 Ca -0.00 -0.93 -0.26 0.00 0.42 0.00 0.00 57.03 56.25 1quw h ASP 58 Cb 0.71 -0.14 0.02 0.00 1.72 0.00 0.00 39.33 41.64 1quw h ASP 58 CO 0.04 1.31 -1.07 -0.08 -2.88 0.00 0.00 179.24 176.56 1quw h GLU 59 N -0.41 0.62 -4.57 0.28 4.81 -1.94 -3.43 114.58 109.95 1quw h GLU 59 Ca -0.11 -0.75 -0.70 0.00 -0.13 0.00 0.00 59.36 57.67 1quw h GLU 59 Cb 1.51 0.23 -0.32 0.00 0.63 0.00 0.00 28.75 30.81 1quw h GLU 59 CO 0.13 1.32 -0.57 -0.80 -0.73 0.00 0.00 179.01 178.36 1quw s ASN 60 N -7.27 5.27 0.00 1.04 0.01 -0.35 -4.95 114.94 108.68 1quw s ASN 60 Ca -0.10 -1.61 0.25 0.00 -0.71 0.00 0.00 52.86 50.69 1quw s ASN 60 Cb 0.06 -1.84 0.43 0.00 0.41 0.00 0.00 41.25 40.30 1quw s ASN 60 CO 0.91 -0.45 1.36 -0.81 -1.51 0.00 0.00 177.10 176.60 1quw n PRO 61 N 4.71 0.62 0.04 -0.60 -0.04 -1.26 -4.24 135.00 134.22 1quw n PRO 61 Ca -0.08 -0.42 -0.20 0.00 -0.04 0.00 0.00 63.50 62.76 1quw n PRO 61 Cb 0.43 -1.49 -0.14 0.00 -0.04 0.00 0.00 33.50 32.25 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 1.03 0.29 0.02 0.54 -0.00 -1.94 -2.93 114.58 111.58 1quw h GLU 62 Ca 0.00 -0.48 -0.24 0.00 -0.00 0.00 0.00 59.36 58.64 1quw h GLU 62 Cb 0.55 0.18 -0.03 0.00 -0.00 0.00 0.00 28.75 29.45 1quw h GLU 62 CO 0.00 1.22 -1.18 0.00 -0.00 0.00 0.00 179.01 179.06 1quw h THR 63 N -0.39 1.51 -0.12 -1.06 1.03 -1.94 -2.33 112.91 109.61 1quw h THR 63 Ca -0.13 -3.23 -0.09 0.00 -0.01 0.00 0.00 66.41 62.95 1quw h THR 63 Cb 1.59 2.77 -0.01 0.00 -1.07 0.00 0.00 68.15 71.43 1quw h THR 63 CO 0.14 0.87 -0.32 0.00 -0.01 0.00 0.00 175.52 176.20 1quw h THR 64 N 0.01 1.27 0.01 0.00 1.03 -1.74 -1.93 112.91 111.55 1quw h THR 64 Ca -0.08 -1.29 -0.21 0.00 -0.01 0.00 0.00 66.41 64.81 1quw h THR 64 Cb 1.84 1.54 -0.03 0.00 -1.07 0.00 0.00 68.15 70.44 1quw h THR 64 CO 0.13 0.39 -1.02 0.28 -0.01 0.00 0.00 175.52 175.29 1quw h SER 65 N 0.20 0.02 -0.22 0.00 0.02 -1.56 -1.52 113.55 110.50 1quw h SER 65 Ca 0.03 -0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 60.93 1quw h SER 65 Cb 0.68 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 63.20 1quw h SER 65 CO 0.05 1.02 0.05 -0.61 -1.14 0.00 0.00 176.83 176.20 1quw h GLN 66 N 0.00 0.35 0.09 3.45 4.15 -1.06 -3.20 115.11 118.88 1quw h GLN 66 Ca -0.02 -0.08 -0.27 0.00 0.77 0.00 0.00 58.65 59.05 1quw h GLN 66 Cb 1.78 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 29.42 1quw h GLN 66 CO 0.13 0.46 -1.26 0.74 -1.93 0.00 0.00 178.83 176.97 1quw h PHE 67 N 0.17 0.33 -1.49 3.99 0.04 -1.47 -3.49 116.94 115.02 1quw h PHE 67 Ca 0.07 -0.24 0.00 0.00 2.80 0.00 0.00 57.97 60.59 1quw h PHE 67 Cb 0.27 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 38.41 1quw h PHE 67 CO 0.01 1.22 0.00 0.41 -0.60 0.00 0.00 178.31 179.35 1quw n GLY 68 N 1.51 0.22 3.55 -1.45 0.00 -0.63 -4.99 105.19 103.40 1quw n GLY 68 Ca -0.08 -0.46 -0.43 0.00 0.00 0.00 0.00 46.02 45.05 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 -2.14 4.24 -0.12 -0.61 -1.09 -0.84 -4.87 121.20 115.77 1quw s ILE 69 Ca 0.00 0.63 0.15 0.00 -2.23 0.00 0.00 60.65 59.20 1quw s ILE 69 Cb 0.00 -4.61 -0.07 0.00 -1.58 0.00 0.00 42.46 36.20 1quw s ILE 69 CO 0.00 -1.17 1.06 0.24 -1.23 0.00 0.00 174.94 173.84 1quw h MET 70 N 9.38 0.00 -1.76 2.79 2.86 -1.94 -3.46 114.93 122.80 1quw h MET 70 Ca -0.25 0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.40 1quw h MET 70 Cb 1.07 0.00 -0.23 0.00 0.06 0.00 0.00 31.60 32.49 1quw h MET 70 CO 1.12 0.41 -0.28 0.45 1.06 0.00 0.00 176.91 179.67 1quw s SER 71 N -6.08 -0.81 0.32 1.22 0.15 -1.26 -5.14 113.70 102.11 1quw s SER 71 Ca -0.00 1.00 -0.22 0.00 0.70 0.00 0.00 55.95 57.43 1quw s SER 71 Cb 0.08 1.87 -0.10 0.00 -1.71 0.00 0.00 66.02 66.16 1quw s SER 71 CO 0.79 -0.25 0.87 0.27 1.20 0.00 0.00 173.24 176.12 1quw s ILE 72 N 2.77 4.39 -0.02 6.45 -5.25 -1.26 -3.43 121.20 124.85 1quw s ILE 72 Ca 0.07 1.52 -0.26 0.00 -0.99 0.00 0.00 60.65 60.98 1quw s ILE 72 Cb -0.14 -3.83 -0.04 0.00 2.95 0.00 0.00 42.46 41.40 1quw s ILE 72 CO -0.18 0.01 0.83 -2.16 -1.79 0.00 0.00 174.94 171.65 1quw s PRO 73 N -2.40 4.50 -0.29 0.37 0.04 -1.26 -4.72 135.00 131.25 1quw s PRO 73 Ca 0.52 1.14 -0.08 0.00 0.04 0.00 0.00 61.00 62.62 1quw s PRO 73 Cb -0.15 -3.44 -0.01 0.00 0.04 0.00 0.00 34.50 30.94 1quw s PRO 73 CO 0.20 0.05 0.10 0.99 0.04 0.00 0.00 177.00 178.38 1quw s THR 74 N 0.76 4.28 -0.21 1.26 2.01 -0.53 -1.42 115.64 121.79 1quw s THR 74 Ca 0.44 -0.44 -0.09 0.00 0.31 0.00 0.00 61.69 61.92 1quw s THR 74 Cb -0.20 -3.14 -0.04 0.00 0.01 0.00 0.00 72.50 69.14 1quw s THR 74 CO 0.23 0.16 0.10 -0.76 -0.69 0.00 0.00 174.62 173.66 1quw s LEU 75 N 1.57 3.87 -0.07 4.42 1.43 -0.85 -0.83 118.68 128.22 1quw s LEU 75 Ca 0.04 0.04 0.01 0.00 -1.03 0.00 0.00 54.13 53.20 1quw s LEU 75 Cb -0.16 -2.01 0.02 0.00 0.03 0.00 0.00 46.19 44.07 1quw s LEU 75 CO 0.04 0.10 -0.07 -0.63 0.23 0.00 0.00 176.35 176.02 1quw s ILE 76 N 0.83 0.83 -0.20 -0.59 1.01 -0.69 -2.69 121.20 119.70 1quw s ILE 76 Ca 0.05 -0.25 -0.16 0.00 0.00 0.00 0.00 60.65 60.29 1quw s ILE 76 Cb -0.13 -0.82 -0.04 0.00 0.01 0.00 0.00 42.46 41.47 1quw s ILE 76 CO 0.02 0.30 0.41 -0.22 0.00 0.00 0.00 174.94 175.46 1quw s LEU 77 N 1.11 4.15 0.04 2.97 1.98 -1.13 -0.84 118.68 126.96 1quw s LEU 77 Ca -0.07 0.53 0.03 0.00 -2.89 0.00 0.00 54.13 51.72 1quw s LEU 77 Cb -0.14 -2.53 -0.04 0.00 0.66 0.00 0.00 46.19 44.14 1quw s LEU 77 CO -0.01 -0.09 -0.00 -0.36 -1.89 0.00 0.00 176.35 174.00 1quw s PHE 78 N 1.35 3.03 0.00 5.38 0.40 -0.44 0.82 117.98 128.52 1quw s PHE 78 Ca 0.19 0.03 0.00 0.00 -0.60 0.00 0.00 56.93 56.55 1quw s PHE 78 Cb -0.15 -1.61 0.00 0.00 0.51 0.00 0.00 43.02 41.77 1quw s PHE 78 CO 0.08 0.46 0.00 1.17 0.70 0.00 0.00 175.22 177.63 1quw n LYS 79 N 1.07 0.00 -2.72 0.44 0.00 -1.01 -0.48 118.16 115.46 1quw n LYS 79 Ca -0.13 0.00 -0.30 0.00 0.00 0.00 0.00 58.31 57.88 1quw n LYS 79 Cb 0.52 -0.17 -0.02 0.00 0.00 0.00 0.00 35.03 35.37 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 2.58 5.78 2.03 3.14 0.00 -1.26 -4.35 105.19 113.11 1quw n GLY 80 Ca 0.00 -2.74 -0.07 0.00 0.00 0.00 0.00 46.02 43.22 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 -0.30 0.36 3.64 -0.02 0.00 0.05 -4.76 105.19 104.16 1quw n GLY 81 Ca 0.37 -0.34 -0.02 0.00 0.00 0.00 0.00 46.02 46.02 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 -5.06 0.60 -0.07 1.61 3.00 -1.26 -4.96 118.95 112.80 1quw s ARG 82 Ca 0.12 1.37 -0.30 0.00 -1.00 0.00 0.00 55.73 55.93 1quw s ARG 82 Cb -0.05 0.69 -0.04 0.00 0.00 0.00 0.00 34.95 35.55 1quw s ARG 82 CO 0.24 -0.18 1.40 -1.25 0.00 0.00 0.00 175.30 175.50 1quw s PRO 83 N 2.58 4.25 -0.07 5.12 0.04 -1.26 -2.40 135.00 143.26 1quw s PRO 83 Ca -0.07 1.89 -0.11 0.00 0.04 0.00 0.00 61.00 62.76 1quw s PRO 83 Cb -0.10 -3.74 -0.07 0.00 0.04 0.00 0.00 34.50 30.64 1quw s PRO 83 CO -0.19 -0.67 0.42 0.28 0.04 0.00 0.00 177.00 176.87 1quw h VAL 84 N 5.28 0.18 -4.09 -0.36 2.07 0.06 -3.49 116.25 115.90 1quw h VAL 84 Ca -0.34 -0.90 -0.14 0.00 0.82 0.00 0.00 66.70 66.14 1quw h VAL 84 Cb 1.15 0.32 -0.13 0.00 -1.52 0.00 0.00 31.29 31.12 1quw h VAL 84 CO 0.94 0.05 -0.40 -0.54 0.02 0.00 0.00 177.57 177.64 1quw s LYS 85 N -2.60 1.24 -0.08 1.57 1.02 -1.25 -5.02 119.74 114.63 1quw s LYS 85 Ca -0.06 -1.36 -0.03 0.00 0.02 0.00 0.00 55.97 54.55 1quw s LYS 85 Cb 0.00 0.35 0.04 0.00 -0.52 0.00 0.00 37.83 37.70 1quw s LYS 85 CO 0.19 -0.45 0.07 -1.14 -0.92 0.00 0.00 175.35 173.10 1quw s GLN 86 N -4.04 -0.03 0.11 1.68 0.74 -1.26 -2.82 119.66 114.03 1quw s GLN 86 Ca 0.26 0.24 0.07 0.00 0.05 0.00 0.00 55.36 55.98 1quw s GLN 86 Cb 0.04 -0.90 -0.03 0.00 1.10 0.00 0.00 33.01 33.21 1quw s GLN 86 CO 0.06 -0.43 -0.17 -0.48 -0.55 0.00 0.00 175.29 173.72 1quw s LEU 87 N 2.16 2.33 0.17 3.68 2.34 -1.09 -5.02 118.68 123.24 1quw s LEU 87 Ca 0.04 -0.72 0.00 0.00 0.06 0.00 0.00 54.13 53.52 1quw s LEU 87 Cb -0.13 -0.70 -0.04 0.00 -0.56 0.00 0.00 46.19 44.75 1quw s LEU 87 CO -0.05 -0.03 0.06 0.27 -1.06 0.00 0.00 176.35 175.54 1quw s ILE 88 N -1.52 0.29 0.00 1.48 -0.00 -1.26 -2.01 121.20 118.19 1quw s ILE 88 Ca 0.06 -1.96 0.00 0.00 -0.00 0.00 0.00 60.65 58.75 1quw s ILE 88 Cb -0.08 -2.22 0.00 0.00 -0.00 0.00 0.00 42.46 40.16 1quw s ILE 88 CO 0.04 -0.33 0.00 0.61 -0.00 0.00 0.00 174.94 175.26 1quw n GLY 89 N -0.21 -2.49 3.71 6.27 0.00 -0.50 -4.82 105.19 107.14 1quw n GLY 89 Ca -0.04 -1.68 -0.42 0.00 0.00 0.00 0.00 46.02 43.88 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 -0.53 3.43 -0.09 1.61 5.04 -1.26 -4.74 117.35 120.80 1quw s TYR 90 Ca 0.00 1.33 -0.01 0.00 -2.44 0.00 0.00 57.07 55.95 1quw s TYR 90 Cb 0.00 -3.39 0.03 0.00 0.35 0.00 0.00 41.96 38.95 1quw s TYR 90 CO 0.00 -1.16 -0.03 1.14 -1.34 0.00 0.00 175.55 174.16 1quw s GLN 91 N 1.19 0.97 1.01 4.97 -2.07 -1.26 -5.10 119.66 119.38 1quw s GLN 91 Ca 0.58 -0.04 -0.13 0.00 -1.82 0.00 0.00 55.36 53.95 1quw s GLN 91 Cb -0.28 -1.22 0.10 0.00 -1.09 0.00 0.00 33.01 30.53 1quw s GLN 91 CO 0.28 -0.29 0.54 -2.30 -1.32 0.00 0.00 175.29 172.21 1quw n PRO 92 N 5.06 -0.87 0.26 9.60 -0.02 -1.26 -4.52 135.00 143.24 1quw n PRO 92 Ca -0.09 -0.21 0.09 0.00 -2.02 0.00 0.00 63.50 61.26 1quw n PRO 92 Cb 0.50 -1.97 0.65 0.00 -0.02 0.00 0.00 33.50 32.66 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 -1.88 0.00 -0.16 -0.52 3.64 -1.97 0.30 116.57 115.98 1quw h LYS 93 Ca -0.48 0.00 -0.21 0.00 -1.27 0.00 0.00 60.65 58.69 1quw h LYS 93 Cb 1.30 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 33.13 1quw h LYS 93 CO 0.38 0.06 -0.72 0.93 -2.27 0.00 0.00 179.45 177.83 1quw h GLU 94 N 0.00 0.76 -0.41 1.90 4.39 -1.99 -0.12 114.58 119.10 1quw h GLU 94 Ca -0.00 -0.61 -0.10 0.00 0.34 0.00 0.00 59.36 58.99 1quw h GLU 94 Cb 0.11 0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 28.87 1quw h GLU 94 CO 0.01 1.22 -0.14 0.37 -1.16 0.00 0.00 179.01 179.31 1quw h GLN 95 N 0.49 0.75 -0.22 2.33 5.75 -1.71 -2.82 115.11 119.69 1quw h GLN 95 Ca -0.05 -0.26 -0.19 0.00 -0.15 0.00 0.00 58.65 58.01 1quw h GLN 95 Cb 1.35 -0.06 0.00 0.00 1.07 0.00 0.00 27.48 29.85 1quw h GLN 95 CO 0.15 0.86 -0.61 1.25 -2.65 0.00 0.00 178.83 177.83 1quw h LEU 96 N 0.68 0.83 -0.09 -2.39 5.85 -0.36 -2.46 115.31 117.37 1quw h LEU 96 Ca 0.11 -0.47 -0.10 0.00 0.84 0.00 0.00 57.88 58.26 1quw h LEU 96 Cb 0.62 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.41 1quw h LEU 96 CO 0.04 1.24 -0.33 -0.33 -0.34 0.00 0.00 178.44 178.72 1quw h GLU 97 N 0.55 0.39 -0.38 1.25 5.08 -1.02 -1.94 114.58 118.52 1quw h GLU 97 Ca -0.00 -0.29 0.00 0.00 -1.00 0.00 0.00 59.36 58.06 1quw h GLU 97 Cb 1.20 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.48 1quw h GLU 97 CO 0.12 0.92 0.24 0.00 -1.00 0.00 0.00 179.01 179.30 1quw h ALA 98 N 0.47 0.48 -0.38 3.43 0.00 -1.57 0.28 119.26 121.97 1quw h ALA 98 Ca -0.01 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 54.92 1quw h ALA 98 Cb 0.96 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.54 1quw h ALA 98 CO 0.07 -0.04 0.05 0.37 0.00 0.00 0.00 179.25 179.70 1quw h GLN 99 N 0.51 0.16 0.00 0.00 5.75 -1.48 -2.96 115.11 117.09 1quw h GLN 99 Ca 0.14 -0.01 -0.04 0.00 -0.15 0.00 0.00 58.65 58.59 1quw h GLN 99 Cb -0.03 -0.04 -0.01 0.00 1.07 0.00 0.00 27.48 28.47 1quw h GLN 99 CO -0.03 0.11 -0.35 -0.07 -2.65 0.00 0.00 178.83 175.84 1quw h LEU 100 N 0.17 0.00 -2.10 -2.39 3.38 -0.98 -2.95 115.31 110.45 1quw h LEU 100 Ca 0.18 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.17 1quw h LEU 100 Cb 0.23 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 1quw h LEU 100 CO -0.26 0.18 0.04 0.00 0.09 0.00 0.00 178.44 178.49 1quw h ALA 101 N 1.82 1.93 -0.34 1.53 0.00 -0.29 -0.35 119.26 123.56 1quw h ALA 101 Ca -0.01 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 1quw h ALA 101 Cb 1.15 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 1quw h ALA 101 CO 0.02 -0.06 -0.14 0.22 0.00 0.00 0.00 179.25 179.30 1quw h ASP 102 N 0.00 0.71 0.90 0.00 3.58 -1.49 -3.09 116.42 117.02 1quw h ASP 102 Ca 0.02 -0.39 -0.22 0.00 0.42 0.00 0.00 57.03 56.86 1quw h ASP 102 Cb 0.09 -0.20 -0.03 0.00 1.72 0.00 0.00 39.33 40.91 1quw h ASP 102 CO -0.00 0.95 -1.16 -0.37 -2.88 0.00 0.00 179.24 175.78 1quw h VAL 103 N 0.47 1.36 0.00 2.25 -1.51 -1.55 -3.35 116.25 113.93 1quw h VAL 103 Ca 0.08 -3.07 -0.18 0.00 -1.23 0.00 0.00 66.70 62.30 1quw h VAL 103 Cb 0.66 2.66 -0.02 0.00 -2.13 0.00 0.00 31.29 32.46 1quw h VAL 103 CO 0.04 0.78 -0.84 -0.07 -1.23 0.00 0.00 177.57 176.25 1quw h LEU 104 N 0.00 0.01 0.00 4.19 3.38 -1.14 -3.49 115.31 118.25 1quw h LEU 104 Ca -0.09 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1quw h LEU 104 Cb 1.79 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.54 1quw h LEU 104 CO 0.11 0.84 0.00 0.00 0.09 0.00 0.00 178.44 179.48