#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 4.55 0.57 0.00 -4.23 -1.26 -4.97 115.64 110.29 1quw s THR 2 Ca 0.00 0.83 -0.09 0.00 -1.18 0.00 0.00 61.69 61.25 1quw s THR 2 Cb 0.00 -3.76 -0.04 0.00 1.34 0.00 0.00 72.50 70.04 1quw s THR 2 CO 0.00 -1.08 0.94 -0.32 -0.54 0.00 0.00 174.62 173.62 1quw s MET 3 N -5.13 3.59 -0.23 3.99 -2.45 -0.05 -4.97 119.30 114.05 1quw s MET 3 Ca 0.56 0.56 -0.01 0.00 -1.25 0.00 0.00 55.69 55.55 1quw s MET 3 Cb -0.12 -2.19 0.07 0.00 1.25 0.00 0.00 34.83 33.84 1quw s MET 3 CO 0.54 -0.43 0.00 0.99 1.05 0.00 0.00 175.02 177.17 1quw s THR 4 N -3.01 1.05 0.57 10.11 2.01 -1.26 -1.13 115.64 123.98 1quw s THR 4 Ca 0.52 -1.00 -0.01 0.00 0.31 0.00 0.00 61.69 61.52 1quw s THR 4 Cb -0.11 -1.49 0.03 0.00 0.01 0.00 0.00 72.50 70.95 1quw s THR 4 CO 0.50 -0.23 0.81 -0.76 -0.69 0.00 0.00 174.62 174.25 1quw s LEU 5 N 1.60 3.24 -0.03 4.42 1.02 -0.54 -4.81 118.68 123.59 1quw s LEU 5 Ca -0.02 0.17 -0.27 0.00 0.02 0.00 0.00 54.13 54.03 1quw s LEU 5 Cb -0.18 -3.00 0.06 0.00 0.02 0.00 0.00 46.19 43.09 1quw s LEU 5 CO -0.09 -1.15 0.60 0.28 0.02 0.00 0.00 176.35 176.00 1quw s THR 6 N -2.84 0.01 0.05 5.49 -1.32 -1.26 -4.32 115.64 111.46 1quw s THR 6 Ca 0.56 -0.11 -0.06 0.00 -1.21 0.00 0.00 61.69 60.88 1quw s THR 6 Cb -0.10 -0.93 0.02 0.00 -1.51 0.00 0.00 72.50 69.98 1quw s THR 6 CO 0.40 -0.06 0.38 -0.90 -2.21 0.00 0.00 174.62 172.23 1quw n ASP 7 N 0.87 -0.21 -0.04 8.08 5.75 -1.26 0.15 116.55 129.89 1quw n ASP 7 Ca -0.19 0.43 -0.13 0.00 -0.01 0.00 0.00 54.79 54.89 1quw n ASP 7 Cb 0.57 -0.08 -0.11 0.00 -1.03 0.00 0.00 41.12 40.48 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 0.23 -0.02 0.00 2.12 0.00 -2.01 -3.24 119.26 116.34 1quw h ALA 8 Ca 0.06 -0.36 -0.03 0.00 0.00 0.00 0.00 54.91 54.58 1quw h ALA 8 Cb 0.12 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 1quw h ALA 8 CO -0.24 -0.13 -0.13 -0.97 0.00 0.00 0.00 179.25 177.79 1quw h ASN 9 N -0.79 0.00 0.32 0.00 -1.24 -1.54 -3.16 115.58 109.17 1quw h ASN 9 Ca -0.00 0.00 -0.00 0.00 0.71 0.00 0.00 56.30 57.01 1quw h ASN 9 Cb 0.73 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 39.75 1quw h ASN 9 CO 0.00 0.13 -0.50 0.15 -1.29 0.00 0.00 177.43 175.92 1quw h PHE 10 N 0.00 -1.42 0.01 0.67 3.04 0.14 0.51 116.94 119.88 1quw h PHE 10 Ca -0.00 0.02 -0.22 0.00 3.98 0.00 0.00 57.97 61.75 1quw h PHE 10 Cb 0.64 0.58 0.00 0.00 2.56 0.00 0.00 35.95 39.73 1quw h PHE 10 CO 0.00 -0.62 -0.95 1.96 -2.02 0.00 0.00 178.31 176.68 1quw h GLN 11 N -0.87 0.37 0.00 1.11 1.08 -1.65 -1.71 115.11 113.45 1quw h GLN 11 Ca -0.04 -0.41 -0.02 0.00 -1.45 0.00 0.00 58.65 56.73 1quw h GLN 11 Cb 0.80 0.12 -0.00 0.00 -0.05 0.00 0.00 27.48 28.35 1quw h GLN 11 CO -0.16 1.09 -0.10 0.37 -0.95 0.00 0.00 178.83 179.08 1quw h GLN 12 N 0.20 0.00 0.10 1.46 4.15 -1.50 -1.41 115.11 118.11 1quw h GLN 12 Ca -0.08 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.34 1quw h GLN 12 Cb 1.59 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.28 1quw h GLN 12 CO 0.16 0.10 -0.05 0.00 -1.93 0.00 0.00 178.83 177.12 1quw h ALA 13 N 1.90 -0.13 -0.20 3.38 0.00 0.47 -3.34 119.26 121.34 1quw h ALA 13 Ca -0.00 -0.21 -0.15 0.00 0.00 0.00 0.00 54.91 54.55 1quw h ALA 13 Cb 0.35 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1quw h ALA 13 CO 0.01 -0.16 -0.50 -0.84 0.00 0.00 0.00 179.25 177.76 1quw h ILE 14 N -0.96 1.32 0.00 0.00 3.07 -1.29 -3.19 117.51 116.46 1quw h ILE 14 Ca -0.01 -1.73 0.00 0.00 1.55 0.00 0.00 64.86 64.67 1quw h ILE 14 Cb 0.46 1.71 0.00 0.00 -0.27 0.00 0.00 36.82 38.71 1quw h ILE 14 CO 0.02 0.54 0.00 0.00 -1.05 0.00 0.00 178.15 177.66 1quw n GLN 15 N -3.98 0.21 0.00 0.16 1.13 -0.54 -1.42 117.38 112.95 1quw n GLN 15 Ca -0.03 0.41 0.00 0.00 -1.94 0.00 0.00 57.00 55.44 1quw n GLN 15 Cb 0.58 -1.88 0.00 0.00 0.11 0.00 0.00 30.24 29.04 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 0.15 -1.25 2.77 1.08 0.00 -1.20 -4.50 105.19 102.23 1quw n GLY 16 Ca 0.02 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.03 1quw n GLY 16 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1quw s ASP 17 N -1.77 -0.57 -0.22 1.61 2.15 -1.26 -4.69 116.67 111.91 1quw s ASP 17 Ca 0.00 -0.49 -0.08 0.00 0.43 0.00 0.00 52.55 52.40 1quw s ASP 17 Cb 0.00 0.74 0.09 0.00 -0.30 0.00 0.00 42.92 43.45 1quw s ASP 17 CO 0.00 -0.04 0.48 -0.75 -0.17 0.00 0.00 175.17 174.69 1quw s LYS 18 N 1.41 0.41 -0.35 4.34 2.47 0.51 -4.96 119.74 123.57 1quw s LYS 18 Ca 0.20 1.10 -0.36 0.00 -1.56 0.00 0.00 55.97 55.35 1quw s LYS 18 Cb 0.06 0.39 -0.12 0.00 -1.46 0.00 0.00 37.83 36.70 1quw s LYS 18 CO -0.11 -0.22 2.16 -2.30 0.16 0.00 0.00 175.35 175.04 1quw n PRO 19 N 5.20 1.00 -3.67 4.03 -0.02 -1.25 -4.39 135.00 135.90 1quw n PRO 19 Ca -0.12 0.28 -0.16 0.00 -2.02 0.00 0.00 63.50 61.48 1quw n PRO 19 Cb 0.51 -2.36 -0.15 0.00 -0.02 0.00 0.00 33.50 31.47 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 6.98 -0.27 -0.45 -1.45 1.01 -0.33 -4.19 120.40 121.71 1quw s VAL 20 Ca 1.10 0.33 -0.21 0.00 0.00 0.00 0.00 61.98 63.20 1quw s VAL 20 Cb -0.92 -0.31 0.03 0.00 0.00 0.00 0.00 36.38 35.17 1quw s VAL 20 CO 0.51 0.14 0.67 -0.22 0.00 0.00 0.00 175.10 176.20 1quw s LEU 21 N 2.21 4.48 -0.06 3.92 0.20 -0.54 -1.63 118.68 127.26 1quw s LEU 21 Ca 0.02 -0.33 -0.27 0.00 0.69 0.00 0.00 54.13 54.23 1quw s LEU 21 Cb -0.12 -2.75 -0.03 0.00 -0.43 0.00 0.00 46.19 42.86 1quw s LEU 21 CO -0.06 -0.82 0.87 -0.69 -0.29 0.00 0.00 176.35 175.36 1quw s VAL 22 N 2.91 4.92 -0.29 1.68 1.01 -0.08 -1.16 120.40 129.39 1quw s VAL 22 Ca 0.24 1.79 -0.10 0.00 0.00 0.00 0.00 61.98 63.91 1quw s VAL 22 Cb -0.14 -4.20 -0.02 0.00 0.00 0.00 0.00 36.38 32.01 1quw s VAL 22 CO 0.19 0.16 0.16 -1.81 0.00 0.00 0.00 175.10 173.80 1quw s ASP 23 N 0.97 5.65 -0.32 3.32 1.11 0.14 -2.04 116.67 125.50 1quw s ASP 23 Ca 0.45 -0.31 -0.13 0.00 0.18 0.00 0.00 52.55 52.74 1quw s ASP 23 Cb -0.19 -2.03 -0.03 0.00 1.07 0.00 0.00 42.92 41.74 1quw s ASP 23 CO 0.22 -0.13 0.28 -0.36 1.18 0.00 0.00 175.17 176.36 1quw s PHE 24 N 1.67 3.22 0.33 4.23 0.08 -0.21 -1.41 117.98 125.89 1quw s PHE 24 Ca 0.06 -0.01 -0.02 0.00 0.12 0.00 0.00 56.93 57.08 1quw s PHE 24 Cb -0.16 -2.53 -0.00 0.00 -0.57 0.00 0.00 43.02 39.76 1quw s PHE 24 CO 0.07 -0.32 0.44 1.67 -0.10 0.00 0.00 175.22 176.98 1quw s TRP 25 N 1.86 1.08 0.00 0.36 1.48 -1.15 -1.49 118.94 121.09 1quw s TRP 25 Ca 0.09 -1.29 -0.15 0.00 -1.06 0.00 0.00 56.10 53.69 1quw s TRP 25 Cb -0.17 -0.15 0.02 0.00 -1.16 0.00 0.00 33.47 32.02 1quw s TRP 25 CO 0.11 -1.07 0.32 0.00 -4.06 0.00 0.00 176.95 172.24 1quw s ALA 26 N -3.23 -0.78 -0.90 2.67 0.00 -1.26 -3.02 121.76 115.23 1quw s ALA 26 Ca 0.31 0.25 0.26 0.00 0.00 0.00 0.00 51.96 52.78 1quw s ALA 26 Cb 0.00 0.15 1.02 0.00 0.00 0.00 0.00 23.12 24.30 1quw s ALA 26 CO 0.20 -0.31 1.80 0.00 0.00 0.00 0.00 175.76 177.44 1quw n ALA 27 N 1.04 2.16 0.78 0.00 0.00 -1.26 -2.35 120.51 120.87 1quw n ALA 27 Ca -0.21 -0.06 0.11 0.00 0.00 0.00 0.00 53.44 53.29 1quw n ALA 27 Cb 0.57 -1.42 0.27 0.00 0.00 0.00 0.00 19.45 18.87 1quw n ALA 27 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 177.50 174.83 1quw n TRP 28 N -1.72 0.32 -2.40 0.00 4.27 -1.26 -4.98 117.44 111.66 1quw n TRP 28 Ca 0.06 -0.16 -0.33 0.00 -3.89 0.00 0.00 57.50 53.18 1quw n TRP 28 Cb 0.32 0.00 -0.03 0.00 -1.36 0.00 0.00 31.31 30.24 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 1.02 0.00 -0.38 0.00 0.00 -1.92 -3.41 103.07 98.39 1quw h GLY 30 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.86 1quw h GLY 30 CO 0.60 0.00 0.00 -1.55 0.00 0.00 0.00 176.54 175.59 1quw n PRO 31 N -2.69 1.28 0.23 4.80 -0.04 -1.26 -3.03 135.00 134.28 1quw n PRO 31 Ca -0.01 -0.44 0.13 0.00 -0.04 0.00 0.00 63.50 63.14 1quw n PRO 31 Cb 0.05 -1.13 0.36 0.00 -0.04 0.00 0.00 33.50 32.74 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 0.66 0.00 -0.00 -1.81 -1.69 114.38 111.54 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 0.85 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 30.81 1quw h ARG 33 CO 0.01 0.12 -0.42 0.52 0.00 0.00 0.00 179.97 180.19 1quw h MET 34 N 0.00 -0.99 -0.16 0.04 2.86 -1.77 -2.76 114.93 112.14 1quw h MET 34 Ca -0.00 0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.71 1quw h MET 34 Cb 0.25 0.22 0.00 0.00 0.06 0.00 0.00 31.60 32.14 1quw h MET 34 CO 0.02 -0.66 0.00 0.00 1.06 0.00 0.00 176.91 177.33 1quw n MET 35 N -5.56 1.51 -0.00 1.72 0.00 -1.18 -4.39 117.12 109.22 1quw n MET 35 Ca -0.13 -0.77 -0.09 0.00 0.00 0.00 0.00 57.70 56.70 1quw n MET 35 Cb 0.44 -1.29 -0.03 0.00 0.00 0.00 0.00 33.22 32.34 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 3.71 -0.16 0.00 3.17 0.00 -1.00 -1.94 119.26 123.04 1quw h ALA 36 Ca 0.00 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1quw h ALA 36 Cb 0.32 0.41 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 1quw h ALA 36 CO 0.00 -0.66 -0.02 -1.00 0.00 0.00 0.00 179.25 177.57 1quw h PRO 37 N -0.26 0.00 -0.03 0.00 0.13 -1.78 -3.04 132.00 127.02 1quw h PRO 37 Ca 0.10 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 65.08 1quw h PRO 37 Cb 0.41 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.53 1quw h PRO 37 CO -0.29 0.02 -0.66 -0.39 -0.23 0.00 0.00 178.00 176.45 1quw h VAL 38 N 0.00 1.43 -0.52 1.56 -1.51 -1.75 -1.87 116.25 113.59 1quw h VAL 38 Ca -0.00 -2.17 -0.10 0.00 -1.23 0.00 0.00 66.70 63.20 1quw h VAL 38 Cb 0.91 2.14 -0.02 0.00 -2.13 0.00 0.00 31.29 32.20 1quw h VAL 38 CO 0.00 0.63 -0.08 -0.07 -1.23 0.00 0.00 177.57 176.82 1quw h LEU 39 N 0.10 0.97 -0.71 4.19 3.38 -1.24 0.52 115.31 122.52 1quw h LEU 39 Ca -0.01 -0.34 -0.14 0.00 0.09 0.00 0.00 57.88 57.48 1quw h LEU 39 Cb 1.18 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.65 1quw h LEU 39 CO 0.10 1.08 -0.64 -0.33 0.09 0.00 0.00 178.44 178.74 1quw h GLU 40 N 0.84 0.03 0.00 1.13 4.39 -1.54 -2.06 114.58 117.36 1quw h GLU 40 Ca 0.14 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.81 1quw h GLU 40 Cb 0.63 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.29 1quw h GLU 40 CO 0.04 0.66 0.00 0.93 -1.16 0.00 0.00 179.01 179.48 1quw h GLU 41 N 0.02 0.00 -0.40 2.33 5.08 -1.06 -3.06 114.58 117.49 1quw h GLU 41 Ca -0.01 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.20 1quw h GLU 41 Cb 1.13 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.37 1quw h GLU 41 CO 0.09 0.00 -0.35 0.35 -1.00 0.00 0.00 179.01 178.10 1quw h PHE 42 N 0.00 1.11 0.00 4.33 3.57 0.75 0.04 116.94 126.74 1quw h PHE 42 Ca 0.00 -0.32 -0.00 0.00 3.53 0.00 0.00 57.97 61.18 1quw h PHE 42 Cb 0.73 -0.24 -0.00 0.00 2.79 0.00 0.00 35.95 39.23 1quw h PHE 42 CO 0.00 1.14 -0.01 0.00 -2.23 0.00 0.00 178.31 177.21 1quw h ALA 43 N 0.82 1.02 0.00 2.41 0.00 -1.46 -1.71 119.26 120.34 1quw h ALA 43 Ca 0.07 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 1quw h ALA 43 Cb 0.94 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 1quw h ALA 43 CO 0.09 0.02 -0.58 0.93 0.00 0.00 0.00 179.25 179.70 1quw h GLU 44 N 0.00 0.00 0.13 0.00 5.08 -1.20 -3.09 114.58 115.49 1quw h GLU 44 Ca -0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1quw h GLU 44 Cb 0.36 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.61 1quw h GLU 44 CO 0.00 0.43 -0.06 0.00 -1.00 0.00 0.00 179.01 178.38 1quw h ALA 45 N 1.54 -0.24 0.00 3.43 0.00 -0.08 -3.41 119.26 120.50 1quw h ALA 45 Ca -0.02 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 1quw h ALA 45 Cb 1.37 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.22 1quw h ALA 45 CO 0.06 -0.23 -0.32 0.45 0.00 0.00 0.00 179.25 179.21 1quw h HIS 46 N -0.68 0.00 0.00 0.00 3.86 -1.72 -3.46 115.15 113.14 1quw h HIS 46 Ca -0.02 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.19 1quw h HIS 46 Cb 0.13 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.60 1quw h HIS 46 CO 0.02 0.46 0.00 0.00 0.86 0.00 0.00 177.93 179.27 1quw n ALA 47 N -3.04 0.00 -0.34 2.45 0.00 -1.17 -4.10 120.51 114.32 1quw n ALA 47 Ca -0.09 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.24 1quw n ALA 47 Cb 0.28 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.78 1quw n ALA 47 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1quw n ASP 48 N 2.00 4.80 0.00 0.00 2.03 -1.26 -4.02 116.55 120.09 1quw n ASP 48 Ca 0.00 -2.77 0.00 0.00 0.52 0.00 0.00 54.79 52.54 1quw n ASP 48 Cb 0.00 -0.86 0.00 0.00 -0.72 0.00 0.00 41.12 39.54 1quw n ASP 48 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 1quw n LYS 49 N 0.25 0.00 -3.38 -0.67 3.00 -1.26 -5.08 118.16 111.02 1quw n LYS 49 Ca 0.23 0.00 -0.39 0.00 -0.00 0.00 0.00 58.31 58.15 1quw n LYS 49 Cb 0.75 -0.03 -0.09 0.00 0.00 0.00 0.00 35.03 35.66 1quw n LYS 49 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1quw s VAL 50 N -1.83 5.17 -0.74 3.15 0.11 -1.26 -4.93 120.40 120.07 1quw s VAL 50 Ca 0.00 0.62 -0.21 0.00 -2.93 0.00 0.00 61.98 59.46 1quw s VAL 50 Cb 0.00 -3.71 0.10 0.00 -1.53 0.00 0.00 36.38 31.23 1quw s VAL 50 CO 0.00 0.17 0.97 -0.89 -3.33 0.00 0.00 175.10 172.02 1quw s THR 51 N 1.96 4.56 -0.77 5.04 2.01 -1.26 -4.51 115.64 122.67 1quw s THR 51 Ca 0.16 -0.91 -0.26 0.00 0.31 0.00 0.00 61.69 60.99 1quw s THR 51 Cb -0.16 -4.68 0.04 0.00 0.01 0.00 0.00 72.50 67.71 1quw s THR 51 CO 0.09 -1.41 1.26 -0.69 -0.69 0.00 0.00 174.62 173.18 1quw s VAL 52 N 3.31 3.84 0.39 3.82 1.01 -1.26 -1.47 120.40 130.04 1quw s VAL 52 Ca 0.24 0.13 0.03 0.00 0.00 0.00 0.00 61.98 62.38 1quw s VAL 52 Cb -0.14 -4.90 -0.01 0.00 0.00 0.00 0.00 36.38 31.33 1quw s VAL 52 CO 0.03 -1.81 0.57 0.00 0.00 0.00 0.00 175.10 173.88 1quw s ALA 53 N 5.37 4.00 -0.14 5.51 0.00 -0.31 -0.87 121.76 135.32 1quw s ALA 53 Ca 0.35 -1.27 -0.01 0.00 0.00 0.00 0.00 51.96 51.03 1quw s ALA 53 Cb -0.08 -1.90 0.04 0.00 0.00 0.00 0.00 23.12 21.18 1quw s ALA 53 CO 0.11 -0.20 -0.02 0.15 0.00 0.00 0.00 175.76 175.79 1quw s LYS 54 N -4.36 1.05 -0.15 0.00 -0.14 -0.28 -0.68 119.74 115.18 1quw s LYS 54 Ca 0.47 -0.29 -0.02 0.00 -1.36 0.00 0.00 55.97 54.77 1quw s LYS 54 Cb -0.10 -1.69 -0.02 0.00 -1.68 0.00 0.00 37.83 34.34 1quw s LYS 54 CO 0.34 -0.42 -0.07 -1.17 -0.76 0.00 0.00 175.35 173.27 1quw s LEU 55 N 1.79 3.04 -0.44 3.17 2.96 -0.50 -1.47 118.68 127.22 1quw s LEU 55 Ca 0.02 -0.21 -0.26 0.00 -0.22 0.00 0.00 54.13 53.47 1quw s LEU 55 Cb -0.14 -1.72 0.02 0.00 0.50 0.00 0.00 46.19 44.85 1quw s LEU 55 CO -0.07 0.17 0.94 0.20 -1.32 0.00 0.00 176.35 176.27 1quw s ASN 56 N 0.36 6.55 0.24 3.68 -0.87 -1.26 -2.91 114.94 120.73 1quw s ASN 56 Ca -0.07 0.25 0.25 0.00 -1.57 0.00 0.00 52.86 51.72 1quw s ASN 56 Cb -0.15 -2.46 0.91 0.00 -0.02 0.00 0.00 41.25 39.53 1quw s ASN 56 CO 0.04 -1.03 1.75 1.33 -2.57 0.00 0.00 177.10 176.62 1quw n VAL 57 N 6.36 0.72 0.24 1.60 0.24 -1.17 -0.17 118.33 126.17 1quw n VAL 57 Ca 0.07 -0.01 -0.14 0.00 -2.04 0.00 0.00 64.34 62.22 1quw n VAL 57 Cb 0.48 -0.90 -0.08 0.00 -1.47 0.00 0.00 33.84 31.88 1quw n VAL 57 CO 0.00 0.00 0.00 -0.78 -2.14 0.00 0.00 176.83 173.91 1quw h ASP 58 N 0.00 -0.54 -0.33 -1.34 3.58 -1.90 -3.33 116.42 112.56 1quw h ASP 58 Ca 0.00 -0.08 -0.17 0.00 0.42 0.00 0.00 57.03 57.20 1quw h ASP 58 Cb 0.54 0.14 -0.00 0.00 1.72 0.00 0.00 39.33 41.73 1quw h ASP 58 CO 0.00 -0.19 -0.44 -0.08 -2.88 0.00 0.00 179.24 175.64 1quw h GLU 59 N -0.92 0.89 -4.67 0.28 4.81 -1.91 -3.42 114.58 109.64 1quw h GLU 59 Ca -0.06 -0.51 -0.68 0.00 -0.13 0.00 0.00 59.36 57.97 1quw h GLU 59 Cb 0.59 0.04 -0.34 0.00 0.63 0.00 0.00 28.75 29.67 1quw h GLU 59 CO 0.11 1.16 -0.65 -0.80 -0.73 0.00 0.00 179.01 178.09 1quw s ASN 60 N -6.85 5.00 -0.02 1.04 0.01 0.77 -4.97 114.94 109.91 1quw s ASN 60 Ca -0.11 -1.59 0.16 0.00 -0.71 0.00 0.00 52.86 50.62 1quw s ASN 60 Cb 0.10 -1.74 0.49 0.00 0.41 0.00 0.00 41.25 40.51 1quw s ASN 60 CO 0.88 -0.36 1.41 -0.81 -1.51 0.00 0.00 177.10 176.71 1quw n PRO 61 N 4.58 2.90 0.07 -0.60 -0.04 -1.26 -4.36 135.00 136.29 1quw n PRO 61 Ca -0.08 -2.41 -0.22 0.00 -0.04 0.00 0.00 63.50 60.75 1quw n PRO 61 Cb 0.43 -1.47 -0.15 0.00 -0.04 0.00 0.00 33.50 32.27 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 3.11 0.36 0.00 0.54 -0.00 -1.93 -3.27 114.58 113.39 1quw h GLU 62 Ca 0.00 -0.62 -0.13 0.00 -0.00 0.00 0.00 59.36 58.61 1quw h GLU 62 Cb 0.93 0.23 -0.02 0.00 -0.00 0.00 0.00 28.75 29.89 1quw h GLU 62 CO 0.03 1.30 -0.72 0.00 -0.00 0.00 0.00 179.01 179.62 1quw h THR 63 N -0.12 0.89 0.00 -1.06 1.03 -1.92 -3.12 112.91 108.61 1quw h THR 63 Ca -0.27 -2.31 -0.04 0.00 -0.01 0.00 0.00 66.41 63.78 1quw h THR 63 Cb 1.91 2.40 -0.01 0.00 -1.07 0.00 0.00 68.15 71.38 1quw h THR 63 CO 0.16 0.51 -0.21 0.00 -0.01 0.00 0.00 175.52 175.97 1quw h THR 64 N 0.00 0.81 0.00 0.00 1.03 -1.81 -2.18 112.91 110.76 1quw h THR 64 Ca -0.03 -0.81 -0.19 0.00 -0.01 0.00 0.00 66.41 65.36 1quw h THR 64 Cb 1.46 1.49 -0.03 0.00 -1.07 0.00 0.00 68.15 70.00 1quw h THR 64 CO 0.07 0.20 -0.89 0.77 -0.01 0.00 0.00 175.52 175.66 1quw h SER 65 N 0.00 0.00 0.11 0.00 4.64 -1.59 -0.40 113.55 116.31 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 0.47 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.56 1quw h SER 65 CO 0.03 0.89 -0.05 1.56 -0.87 0.00 0.00 176.83 178.39 1quw h GLN 66 N 0.00 -0.14 0.04 4.77 1.08 -1.35 -3.28 115.11 116.21 1quw h GLN 66 Ca -0.01 0.01 -0.22 0.00 -1.45 0.00 0.00 58.65 56.98 1quw h GLN 66 Cb 1.59 0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 29.04 1quw h GLN 66 CO 0.12 0.30 -1.01 0.74 -0.95 0.00 0.00 178.83 178.03 1quw h PHE 67 N -0.66 0.33 -2.83 2.96 0.04 -1.57 -3.49 116.94 111.72 1quw h PHE 67 Ca -0.02 -0.20 0.00 0.00 2.80 0.00 0.00 57.97 60.55 1quw h PHE 67 Cb 0.51 -0.03 0.00 0.00 2.20 0.00 0.00 35.95 38.64 1quw h PHE 67 CO 0.08 1.08 0.00 0.41 -0.60 0.00 0.00 178.31 179.28 1quw n GLY 68 N 1.15 -0.26 3.53 -1.45 0.00 -0.22 -4.95 105.19 102.98 1quw n GLY 68 Ca -0.05 -0.22 -0.42 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.81 4.02 -0.35 -0.61 -1.09 -0.84 -4.81 121.20 114.71 1quw s ILE 69 Ca 0.00 -0.45 0.23 0.00 -2.23 0.00 0.00 60.65 58.20 1quw s ILE 69 Cb 0.00 -4.93 -0.06 0.00 -1.58 0.00 0.00 42.46 35.89 1quw s ILE 69 CO 0.00 -1.79 1.00 0.23 -1.23 0.00 0.00 174.94 173.16 1quw n MET 70 N 8.56 0.50 -3.43 2.79 2.81 -1.26 -4.73 117.12 122.35 1quw n MET 70 Ca 0.17 0.05 -0.19 0.00 -1.81 0.00 0.00 57.70 55.92 1quw n MET 70 Cb 0.49 -1.72 -0.11 0.00 -0.71 0.00 0.00 33.22 31.18 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 -4.77 1.98 0.56 7.83 0.15 -1.26 -5.12 113.70 113.07 1quw s SER 71 Ca 0.00 -0.81 -0.19 0.00 0.70 0.00 0.00 55.95 55.66 1quw s SER 71 Cb 0.12 0.35 -0.05 0.00 -1.71 0.00 0.00 66.02 64.72 1quw s SER 71 CO 0.80 -0.39 1.14 0.27 1.20 0.00 0.00 173.24 176.26 1quw s ILE 72 N 2.31 3.07 0.53 6.45 -5.25 -1.26 -4.31 121.20 122.74 1quw s ILE 72 Ca 0.09 0.65 -0.13 0.00 -0.99 0.00 0.00 60.65 60.27 1quw s ILE 72 Cb -0.14 -3.25 -0.06 0.00 2.95 0.00 0.00 42.46 41.96 1quw s ILE 72 CO -0.32 -0.16 0.95 -2.16 -1.79 0.00 0.00 174.94 171.47 1quw s PRO 73 N -3.36 3.76 -0.08 0.37 0.04 -1.26 -4.79 135.00 129.69 1quw s PRO 73 Ca 0.73 0.74 -0.03 0.00 0.04 0.00 0.00 61.00 62.49 1quw s PRO 73 Cb -0.25 -2.17 0.04 0.00 0.04 0.00 0.00 34.50 32.16 1quw s PRO 73 CO 0.29 -0.34 0.13 0.99 0.04 0.00 0.00 177.00 178.11 1quw s THR 74 N -2.80 -0.21 -0.20 1.26 2.01 -0.55 -3.24 115.64 111.91 1quw s THR 74 Ca 0.55 0.34 -0.07 0.00 0.31 0.00 0.00 61.69 62.82 1quw s THR 74 Cb -0.10 -0.28 -0.04 0.00 0.01 0.00 0.00 72.50 72.10 1quw s THR 74 CO 0.41 0.13 0.05 -0.76 -0.69 0.00 0.00 174.62 173.76 1quw s LEU 75 N 2.25 3.61 -0.05 4.42 2.01 -0.82 -1.04 118.68 129.06 1quw s LEU 75 Ca 0.04 -0.05 0.01 0.00 0.01 0.00 0.00 54.13 54.14 1quw s LEU 75 Cb -0.12 -1.93 0.02 0.00 0.01 0.00 0.00 46.19 44.17 1quw s LEU 75 CO -0.05 0.09 -0.06 -0.63 1.01 0.00 0.00 176.35 176.71 1quw s ILE 76 N 0.84 0.68 -0.19 -0.59 1.01 -0.87 -2.16 121.20 119.93 1quw s ILE 76 Ca 0.03 -0.20 -0.14 0.00 0.00 0.00 0.00 60.65 60.34 1quw s ILE 76 Cb -0.14 -0.69 -0.04 0.00 0.01 0.00 0.00 42.46 41.60 1quw s ILE 76 CO 0.02 0.26 0.33 -0.22 0.00 0.00 0.00 174.94 175.34 1quw s LEU 77 N 0.96 4.18 -0.10 2.97 1.98 -1.07 -0.90 118.68 126.70 1quw s LEU 77 Ca -0.10 0.46 0.02 0.00 -2.89 0.00 0.00 54.13 51.62 1quw s LEU 77 Cb -0.14 -2.41 -0.01 0.00 0.66 0.00 0.00 46.19 44.28 1quw s LEU 77 CO 0.00 0.01 -0.17 -0.36 -1.89 0.00 0.00 176.35 173.94 1quw s PHE 78 N 0.96 2.69 -0.17 5.38 0.40 -0.64 -0.90 117.98 125.70 1quw s PHE 78 Ca 0.17 -0.67 -0.01 0.00 -0.60 0.00 0.00 56.93 55.81 1quw s PHE 78 Cb -0.14 -1.75 -0.10 0.00 0.51 0.00 0.00 43.02 41.54 1quw s PHE 78 CO 0.06 -0.20 -0.17 1.17 0.70 0.00 0.00 175.22 176.79 1quw n LYS 79 N 3.27 0.39 -3.09 0.44 4.81 -1.23 -1.19 118.16 121.56 1quw n LYS 79 Ca -0.18 0.11 -0.16 0.00 -0.87 0.00 0.00 58.31 57.21 1quw n LYS 79 Cb 0.53 -1.27 -0.01 0.00 0.02 0.00 0.00 35.03 34.30 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 2.50 2.97 2.66 3.14 0.00 -1.26 -0.36 105.19 114.84 1quw n GLY 80 Ca -0.30 -1.33 -0.13 0.00 0.00 0.00 0.00 46.02 44.26 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 0.31 0.10 3.54 -0.02 0.00 -0.51 -4.90 105.19 103.70 1quw n GLY 81 Ca 0.21 -0.15 -0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 -5.66 0.45 -0.29 1.61 3.00 -1.26 -4.95 118.95 111.84 1quw s ARG 82 Ca 0.30 1.09 -0.29 0.00 -1.00 0.00 0.00 55.73 55.84 1quw s ARG 82 Cb -0.13 0.63 -0.01 0.00 0.00 0.00 0.00 34.95 35.43 1quw s ARG 82 CO 0.41 -0.15 1.45 -1.25 0.00 0.00 0.00 175.30 175.76 1quw s PRO 83 N 2.59 3.79 0.04 5.12 0.04 -1.26 -3.54 135.00 141.78 1quw s PRO 83 Ca -0.05 1.34 -0.18 0.00 0.04 0.00 0.00 61.00 62.16 1quw s PRO 83 Cb -0.09 -3.97 -0.21 0.00 0.04 0.00 0.00 34.50 30.27 1quw s PRO 83 CO -0.18 -1.29 1.17 -0.39 0.04 0.00 0.00 177.00 176.35 1quw h VAL 84 N 6.15 1.37 -3.36 -0.36 -1.51 -1.41 -3.45 116.25 113.68 1quw h VAL 84 Ca -0.29 -2.02 -0.31 0.00 -1.23 0.00 0.00 66.70 62.85 1quw h VAL 84 Cb 1.12 2.38 -0.35 0.00 -2.13 0.00 0.00 31.29 32.31 1quw h VAL 84 CO 1.03 0.60 -0.70 -0.54 -1.23 0.00 0.00 177.57 176.74 1quw s LYS 85 N -3.42 -0.02 -0.21 5.19 1.02 -1.25 -5.03 119.74 116.02 1quw s LYS 85 Ca -0.12 0.32 -0.06 0.00 0.02 0.00 0.00 55.97 56.13 1quw s LYS 85 Cb 0.05 -0.31 -0.03 0.00 -0.52 0.00 0.00 37.83 37.02 1quw s LYS 85 CO 0.85 -0.23 0.03 -1.14 -0.92 0.00 0.00 175.35 173.93 1quw s GLN 86 N 1.55 3.70 0.01 1.68 0.74 -1.26 -2.60 119.66 123.47 1quw s GLN 86 Ca -0.04 -0.48 0.02 0.00 0.05 0.00 0.00 55.36 54.92 1quw s GLN 86 Cb -0.12 -3.16 -0.01 0.00 1.10 0.00 0.00 33.01 30.82 1quw s GLN 86 CO -0.04 0.03 -0.07 -0.48 -0.55 0.00 0.00 175.29 174.18 1quw s LEU 87 N 1.00 2.07 0.30 3.68 2.34 -0.92 -5.05 118.68 122.10 1quw s LEU 87 Ca 0.03 -0.22 0.04 0.00 0.06 0.00 0.00 54.13 54.03 1quw s LEU 87 Cb -0.14 -0.31 -0.04 0.00 -0.56 0.00 0.00 46.19 45.14 1quw s LEU 87 CO 0.02 0.02 0.18 0.27 -1.06 0.00 0.00 176.35 175.78 1quw s ILE 88 N -0.43 0.23 0.00 1.48 -0.00 -1.26 -1.94 121.20 119.28 1quw s ILE 88 Ca -0.00 -2.00 0.00 0.00 -0.00 0.00 0.00 60.65 58.65 1quw s ILE 88 Cb -0.04 -2.50 0.00 0.00 -0.00 0.00 0.00 42.46 39.92 1quw s ILE 88 CO -0.00 0.00 0.00 0.61 -0.00 0.00 0.00 174.94 175.55 1quw n GLY 89 N -0.57 -1.55 3.71 6.27 0.00 -1.20 -4.76 105.19 107.09 1quw n GLY 89 Ca 0.02 -1.46 -0.38 0.00 0.00 0.00 0.00 46.02 44.20 1quw n GLY 89 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1quw s TYR 90 N 0.00 3.48 -0.08 1.61 5.04 -1.26 -4.75 117.35 121.39 1quw s TYR 90 Ca 0.00 0.86 -0.00 0.00 -2.44 0.00 0.00 57.07 55.49 1quw s TYR 90 Cb 0.00 -2.57 0.03 0.00 0.35 0.00 0.00 41.96 39.76 1quw s TYR 90 CO 0.00 0.11 -0.03 1.14 -1.34 0.00 0.00 175.55 175.43 1quw s GLN 91 N 0.84 0.94 1.03 4.97 0.00 -1.26 -5.11 119.66 121.07 1quw s GLN 91 Ca 0.25 -0.05 -0.13 0.00 -0.00 0.00 0.00 55.36 55.43 1quw s GLN 91 Cb -0.15 -1.12 0.14 0.00 0.00 0.00 0.00 33.01 31.87 1quw s GLN 91 CO 0.10 -0.23 0.65 -2.30 0.00 0.00 0.00 175.29 173.51 1quw n PRO 92 N 4.80 -1.09 0.26 9.60 -0.02 -1.26 -4.63 135.00 142.66 1quw n PRO 92 Ca -0.13 -0.28 0.09 0.00 -2.02 0.00 0.00 63.50 61.16 1quw n PRO 92 Cb 0.50 -2.03 0.66 0.00 -0.02 0.00 0.00 33.50 32.62 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 -2.01 0.00 -0.18 -0.52 3.64 -1.98 0.35 116.57 115.87 1quw h LYS 93 Ca -0.49 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 58.75 1quw h LYS 93 Cb 1.31 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.12 1quw h LYS 93 CO 0.40 0.02 -0.45 0.93 -2.27 0.00 0.00 179.45 178.08 1quw h GLU 94 N 0.00 0.44 -0.15 1.90 5.08 -1.99 0.28 114.58 120.15 1quw h GLU 94 Ca -0.00 -0.24 -0.12 0.00 -1.00 0.00 0.00 59.36 58.01 1quw h GLU 94 Cb 0.03 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.29 1quw h GLU 94 CO 0.00 0.80 -0.36 0.37 -1.00 0.00 0.00 179.01 178.82 1quw h GLN 95 N 0.36 0.50 -0.15 2.33 5.75 -1.62 -3.15 115.11 119.13 1quw h GLN 95 Ca 0.03 -0.35 0.02 0.00 -0.15 0.00 0.00 58.65 58.20 1quw h GLN 95 Cb 0.93 0.05 -0.02 0.00 1.07 0.00 0.00 27.48 29.51 1quw h GLN 95 CO 0.08 0.96 0.03 -0.07 -2.65 0.00 0.00 178.83 177.18 1quw h LEU 96 N 0.12 0.01 -1.06 -2.39 3.38 -0.86 -1.57 115.31 112.95 1quw h LEU 96 Ca -0.00 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 1quw h LEU 96 Cb 0.97 0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.72 1quw h LEU 96 CO 0.08 0.03 0.26 -0.33 0.09 0.00 0.00 178.44 178.57 1quw h GLU 97 N 0.10 0.93 0.02 1.13 4.39 -0.48 0.13 114.58 120.80 1quw h GLU 97 Ca 0.07 -0.15 -0.26 0.00 0.34 0.00 0.00 59.36 59.36 1quw h GLU 97 Cb 0.06 -0.16 0.02 0.00 -0.10 0.00 0.00 28.75 28.56 1quw h GLU 97 CO -0.09 0.75 -1.04 0.00 -1.16 0.00 0.00 179.01 177.47 1quw h ALA 98 N 1.37 0.19 -0.10 3.43 0.00 -1.54 -1.88 119.26 120.73 1quw h ALA 98 Ca 0.22 -0.72 0.02 0.00 0.00 0.00 0.00 54.91 54.43 1quw h ALA 98 Cb 0.16 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1quw h ALA 98 CO -0.02 0.74 -0.01 0.37 0.00 0.00 0.00 179.25 180.33 1quw h GLN 99 N 0.31 0.02 0.00 0.00 5.75 -0.79 -2.95 115.11 117.45 1quw h GLN 99 Ca -0.12 -0.00 -0.06 0.00 -0.15 0.00 0.00 58.65 58.32 1quw h GLN 99 Cb 1.70 -0.00 -0.01 0.00 1.07 0.00 0.00 27.48 30.23 1quw h GLN 99 CO 0.20 0.01 -0.29 -0.07 -2.65 0.00 0.00 178.83 176.03 1quw h LEU 100 N 0.02 0.00 -1.32 -2.39 -0.00 -0.82 -3.14 115.31 107.65 1quw h LEU 100 Ca 0.05 0.00 0.05 0.00 -0.00 0.00 0.00 57.88 57.98 1quw h LEU 100 Cb 0.06 0.00 -0.05 0.00 -0.00 0.00 0.00 40.66 40.68 1quw h LEU 100 CO -0.09 0.29 0.49 0.00 -0.00 0.00 0.00 178.44 179.13 1quw h ALA 101 N 1.71 1.62 -0.20 1.53 0.00 -1.16 0.27 119.26 123.04 1quw h ALA 101 Ca -0.00 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1quw h ALA 101 Cb 1.09 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 1quw h ALA 101 CO 0.04 0.28 0.04 0.22 0.00 0.00 0.00 179.25 179.82 1quw h ASP 102 N 0.85 0.31 1.08 0.00 1.82 -1.53 -2.88 116.42 116.07 1quw h ASP 102 Ca 0.31 -0.25 -0.19 0.00 -0.39 0.00 0.00 57.03 56.52 1quw h ASP 102 Cb 0.17 -0.08 -0.03 0.00 0.68 0.00 0.00 39.33 40.07 1quw h ASP 102 CO -0.10 0.48 -0.92 -0.37 -1.61 0.00 0.00 179.24 176.72 1quw h VAL 103 N 0.13 1.55 -0.01 2.25 -1.51 -1.59 -3.23 116.25 113.84 1quw h VAL 103 Ca 0.06 -3.20 -0.14 0.00 -1.23 0.00 0.00 66.70 62.19 1quw h VAL 103 Cb 0.29 2.77 -0.02 0.00 -2.13 0.00 0.00 31.29 32.20 1quw h VAL 103 CO 0.00 0.89 -0.62 -0.07 -1.23 0.00 0.00 177.57 176.53 1quw h LEU 104 N 0.00 0.06 0.00 4.19 3.38 -1.00 -3.51 115.31 118.42 1quw h LEU 104 Ca -0.01 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1quw h LEU 104 Cb 1.70 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.44 1quw h LEU 104 CO 0.12 0.67 0.00 0.00 0.09 0.00 0.00 178.44 179.31