#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yws s SER 2 N 0.00 5.15 -0.08 7.83 1.04 -1.26 -5.07 113.70 121.31 1yws s SER 2 Ca 0.00 -0.77 -0.30 0.00 0.48 0.00 0.00 55.95 55.37 1yws s SER 2 Cb 0.00 -0.24 -0.02 0.00 0.10 0.00 0.00 66.02 65.86 1yws s SER 2 CO 0.00 -0.90 1.01 0.42 0.98 0.00 0.00 173.24 174.75 1yws s THR 3 N -2.53 4.77 -0.12 2.02 -4.23 -1.26 -4.89 115.64 109.39 1yws s THR 3 Ca 0.51 2.02 0.19 0.00 -1.18 0.00 0.00 61.69 63.23 1yws s THR 3 Cb -0.05 -4.30 -0.22 0.00 1.34 0.00 0.00 72.50 69.27 1yws s THR 3 CO 0.31 0.04 0.52 0.00 -0.54 0.00 0.00 174.62 174.95 1yws n TYR 4 N 4.73 0.39 -4.56 3.99 9.36 -1.25 -4.89 117.16 124.92 1yws n TYR 4 Ca 0.08 0.13 -0.26 0.00 3.32 0.00 0.00 57.90 61.16 1yws n TYR 4 Cb 0.49 -0.86 -0.11 0.00 -0.63 0.00 0.00 39.34 38.23 1yws n TYR 4 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 1yws s ASP 5 N -5.25 3.68 -0.28 2.98 2.15 -1.26 -5.03 116.67 113.66 1yws s ASP 5 Ca -0.06 -1.27 -0.02 0.00 0.43 0.00 0.00 52.55 51.62 1yws s ASP 5 Cb 0.10 -0.35 0.16 0.00 -0.30 0.00 0.00 42.92 42.53 1yws s ASP 5 CO 0.85 -0.32 0.52 -0.70 -0.17 0.00 0.00 175.17 175.35 1yws s GLU 6 N -3.66 0.49 0.06 4.34 2.12 -1.25 -0.26 118.70 120.53 1yws s GLU 6 Ca 0.33 0.87 0.04 0.00 0.36 0.00 0.00 54.97 56.58 1yws s GLU 6 Cb 0.06 0.21 -0.04 0.00 0.26 0.00 0.00 34.13 34.62 1yws s GLU 6 CO 0.17 -0.59 -0.03 0.42 -0.54 0.00 0.00 175.26 174.68 1yws s ILE 7 N 2.75 3.83 0.52 -3.70 1.09 -0.22 -4.90 121.20 120.57 1yws s ILE 7 Ca 0.16 -0.93 -0.22 0.00 -1.10 0.00 0.00 60.65 58.56 1yws s ILE 7 Cb -0.15 -2.77 -0.06 0.00 -1.06 0.00 0.00 42.46 38.43 1yws s ILE 7 CO -0.19 0.22 1.25 -1.61 -0.10 0.00 0.00 174.94 174.51 1yws s GLU 8 N -1.96 3.38 0.45 2.79 2.02 -1.26 0.13 118.70 124.24 1yws s GLU 8 Ca 0.22 1.97 0.18 0.00 0.02 0.00 0.00 54.97 57.35 1yws s GLU 8 Cb -0.11 -2.26 1.04 0.00 0.10 0.00 0.00 34.13 32.90 1yws s GLU 8 CO 0.14 -0.92 1.96 0.97 0.02 0.00 0.00 175.26 177.43 1yws h ILE 9 N 1.53 1.00 -0.75 -1.63 2.10 -1.56 -0.61 117.51 117.59 1yws h ILE 9 Ca -0.50 -0.79 -0.04 0.00 1.08 0.00 0.00 64.86 64.61 1yws h ILE 9 Cb 1.28 1.44 -0.03 0.00 -1.09 0.00 0.00 36.82 38.42 1yws h ILE 9 CO 0.58 0.21 0.31 -0.08 -1.08 0.00 0.00 178.15 178.09 1yws h GLU 10 N 0.00 1.11 0.15 2.19 4.81 -1.91 -3.16 114.58 117.77 1yws h GLU 10 Ca -0.00 -0.19 -0.29 0.00 -0.13 0.00 0.00 59.36 58.75 1yws h GLU 10 Cb 0.43 -0.19 0.01 0.00 0.63 0.00 0.00 28.75 29.63 1yws h GLU 10 CO 0.03 0.89 -1.33 0.22 -0.73 0.00 0.00 179.01 178.09 1yws h ASP 11 N 1.09 0.50 -3.27 1.04 3.58 -1.64 -3.45 116.42 114.27 1yws h ASP 11 Ca 0.25 -0.56 -0.58 0.00 0.42 0.00 0.00 57.03 56.57 1yws h ASP 11 Cb 0.19 -0.16 0.14 0.00 1.72 0.00 0.00 39.33 41.22 1yws h ASP 11 CO -0.02 1.44 0.22 0.23 -2.88 0.00 0.00 179.24 178.22 1yws n MET 12 N -3.56 1.36 -3.28 0.28 2.81 -0.34 -4.97 117.12 109.43 1yws n MET 12 Ca -0.11 0.49 -0.38 0.00 -1.81 0.00 0.00 57.70 55.89 1yws n MET 12 Cb 1.04 -2.13 -0.06 0.00 -0.71 0.00 0.00 33.22 31.36 1yws n MET 12 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 1yws s THR 13 N -1.32 5.15 0.16 2.03 2.01 0.13 -4.94 115.64 118.87 1yws s THR 13 Ca 0.65 0.96 -0.28 0.00 0.31 0.00 0.00 61.69 63.33 1yws s THR 13 Cb -0.52 -3.83 -0.07 0.00 0.01 0.00 0.00 72.50 68.09 1yws s THR 13 CO 0.55 0.26 0.88 0.72 -0.69 0.00 0.00 174.62 176.33 1yws s PHE 14 N 1.09 3.89 -0.58 4.92 -0.71 -1.26 0.04 117.98 125.37 1yws s PHE 14 Ca 0.25 1.75 0.04 0.00 -1.04 0.00 0.00 56.93 57.94 1yws s PHE 14 Cb -0.15 -2.92 0.15 0.00 -1.21 0.00 0.00 43.02 38.89 1yws s PHE 14 CO 0.10 0.39 0.37 -2.00 -1.34 0.00 0.00 175.22 172.74 1yws s GLU 15 N -0.74 1.93 0.56 1.99 2.56 -0.06 -4.88 118.70 120.07 1yws s GLU 15 Ca 0.41 -2.77 0.33 0.00 0.00 0.00 0.00 54.97 52.93 1yws s GLU 15 Cb -0.24 -2.94 1.60 0.00 2.00 0.00 0.00 34.13 34.55 1yws s GLU 15 CO 0.29 -1.24 2.09 -1.00 -0.56 0.00 0.00 175.26 174.84 1yws h PRO 16 N 5.93 0.00 -0.16 4.30 0.13 -1.91 -0.98 132.00 139.30 1yws h PRO 16 Ca 0.08 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 65.11 1yws h PRO 16 Cb 0.84 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.95 1yws h PRO 16 CO 0.62 0.06 -0.35 0.93 -0.23 0.00 0.00 178.00 179.03 1yws h GLU 17 N 0.00 0.33 -0.01 0.86 5.08 -1.92 -2.90 114.58 116.02 1yws h GLU 17 Ca -0.00 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 58.22 1yws h GLU 17 Cb 0.36 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.60 1yws h GLU 17 CO 0.01 0.65 -0.37 0.09 -1.00 0.00 0.00 179.01 178.38 1yws n ASN 18 N -4.07 1.55 -2.52 1.42 4.13 -0.96 -4.99 115.26 109.83 1yws n ASN 18 Ca -0.01 -1.28 -0.18 0.00 1.68 0.00 0.00 54.58 54.80 1yws n ASN 18 Cb 0.45 0.52 0.04 0.00 -1.54 0.00 0.00 39.78 39.24 1yws n ASN 18 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1yws n GLN 19 N -0.23 -4.39 -4.07 3.52 3.00 -0.42 -5.01 117.38 109.77 1yws n GLN 19 Ca 0.06 0.70 -0.10 0.00 -0.01 0.00 0.00 57.00 57.65 1yws n GLN 19 Cb 0.33 -5.15 -0.08 0.00 0.00 0.00 0.00 30.24 25.34 1yws n GLN 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1yws s MET 20 N -5.58 1.24 0.06 -1.09 0.23 -0.90 -4.55 119.30 108.70 1yws s MET 20 Ca 0.29 -1.38 -0.06 0.00 -1.03 0.00 0.00 55.69 53.52 1yws s MET 20 Cb -0.13 0.35 -0.05 0.00 -1.53 0.00 0.00 34.83 33.47 1yws s MET 20 CO 0.36 -0.45 0.31 -0.06 -2.03 0.00 0.00 175.02 173.15 1yws s PHE 21 N -4.05 3.54 0.15 3.16 0.08 -0.95 -0.88 117.98 119.03 1yws s PHE 21 Ca 0.26 0.55 0.01 0.00 0.12 0.00 0.00 56.93 57.88 1yws s PHE 21 Cb 0.04 -1.99 -0.04 0.00 -0.57 0.00 0.00 43.02 40.46 1yws s PHE 21 CO 0.06 0.55 0.02 0.95 -0.10 0.00 0.00 175.22 176.70 1yws s THR 22 N -1.43 0.46 -0.12 0.64 -4.23 0.11 -2.28 115.64 108.79 1yws s THR 22 Ca 0.33 -1.95 -0.06 0.00 -1.18 0.00 0.00 61.69 58.83 1yws s THR 22 Cb -0.13 -2.06 0.05 0.00 1.34 0.00 0.00 72.50 71.70 1yws s THR 22 CO 0.20 -0.50 0.28 -0.47 -0.54 0.00 0.00 174.62 173.59 1yws s TYR 23 N -3.80 -0.41 -0.11 3.99 5.04 -0.94 -0.70 117.35 120.42 1yws s TYR 23 Ca 0.23 0.94 -0.35 0.00 -2.44 0.00 0.00 57.07 55.45 1yws s TYR 23 Cb 0.07 0.07 -0.12 0.00 0.35 0.00 0.00 41.96 42.32 1yws s TYR 23 CO 0.02 -0.29 1.85 -2.30 -1.34 0.00 0.00 175.55 173.49 1yws n PRO 24 N 4.57 2.01 -4.10 4.97 -0.02 -1.26 -0.84 135.00 140.33 1yws n PRO 24 Ca -0.19 0.74 -0.17 0.00 -2.02 0.00 0.00 63.50 61.86 1yws n PRO 24 Cb 0.52 -2.55 -0.15 0.00 -0.02 0.00 0.00 33.50 31.30 1yws n PRO 24 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1yws s PRO 26 N 0.31 4.09 0.00 0.00 0.05 -1.26 -4.40 135.00 133.79 1yws s PRO 26 Ca -0.03 0.87 0.00 0.00 0.05 0.00 0.00 61.00 61.88 1yws s PRO 26 Cb -0.07 -3.69 0.00 0.00 0.05 0.00 0.00 34.50 30.79 1yws s PRO 26 CO -0.00 -0.65 0.00 0.00 0.05 0.00 0.00 177.00 176.40 1yws n GLY 28 N 0.00 0.28 3.26 0.00 0.00 -1.26 -4.94 105.19 102.53 1yws n GLY 28 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 1yws n GLY 28 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1yws s ASP 29 N 0.00 1.07 0.16 1.61 -1.08 -1.26 -5.09 116.67 112.08 1yws s ASP 29 Ca 0.00 -1.60 0.08 0.00 -0.52 0.00 0.00 52.55 50.51 1yws s ASP 29 Cb 0.00 0.47 -0.04 0.00 -1.46 0.00 0.00 42.92 41.89 1yws s ASP 29 CO 0.00 -0.96 -0.09 0.00 0.52 0.00 0.00 175.17 174.64 1yws s ARG 30 N -3.76 2.11 0.12 4.34 1.70 -1.26 -4.22 118.95 117.99 1yws s ARG 30 Ca 0.40 -1.18 -0.35 0.00 -0.47 0.00 0.00 55.73 54.12 1yws s ARG 30 Cb 0.04 -2.22 -0.16 0.00 -0.57 0.00 0.00 34.95 32.04 1yws s ARG 30 CO 0.21 0.46 1.38 1.19 -1.08 0.00 0.00 175.30 177.45 1yws n PHE 31 N 0.21 1.70 -5.10 5.89 3.72 -0.02 -4.29 117.46 119.56 1yws n PHE 31 Ca -0.11 0.55 -0.32 0.00 -0.05 0.00 0.00 57.45 57.51 1yws n PHE 31 Cb 0.54 -2.38 -0.16 0.00 -0.94 0.00 0.00 39.48 36.55 1yws n PHE 31 CO 0.00 0.00 0.00 1.14 -0.05 0.00 0.00 176.76 177.85 1yws s GLN 32 N 0.46 2.74 -0.11 -1.08 -2.07 -0.34 -2.20 119.66 117.05 1yws s GLN 32 Ca 0.81 -0.83 -0.07 0.00 -1.82 0.00 0.00 55.36 53.45 1yws s GLN 32 Cb -0.87 -2.30 0.04 0.00 -1.09 0.00 0.00 33.01 28.79 1yws s GLN 32 CO 0.45 0.38 0.28 -1.50 -1.32 0.00 0.00 175.29 173.57 1yws s ILE 33 N -0.12 -0.02 0.08 3.63 2.07 -0.96 -1.55 121.20 124.32 1yws s ILE 33 Ca -0.04 0.08 -0.06 0.00 -1.41 0.00 0.00 60.65 59.23 1yws s ILE 33 Cb -0.14 -0.41 -0.05 0.00 0.13 0.00 0.00 42.46 41.99 1yws s ILE 33 CO 0.04 0.03 0.34 -0.31 -1.91 0.00 0.00 174.94 173.13 1yws s TYR 34 N 0.85 3.53 0.40 3.50 1.51 -1.26 -2.25 117.35 123.63 1yws s TYR 34 Ca -0.06 0.59 0.07 0.00 -1.01 0.00 0.00 57.07 56.66 1yws s TYR 34 Cb -0.07 -2.01 0.82 0.00 -0.11 0.00 0.00 41.96 40.58 1yws s TYR 34 CO -0.06 0.51 2.02 -0.07 -1.11 0.00 0.00 175.55 176.85 1yws h LEU 35 N 3.36 0.45 -0.72 -1.29 -0.00 -1.98 -2.59 115.31 112.54 1yws h LEU 35 Ca -0.48 -0.03 0.06 0.00 -0.00 0.00 0.00 57.88 57.44 1yws h LEU 35 Cb 1.18 -0.11 -0.06 0.00 -0.00 0.00 0.00 40.66 41.67 1yws h LEU 35 CO 0.70 0.38 0.42 0.44 -0.00 0.00 0.00 178.44 180.37 1yws h ASP 36 N 0.51 0.62 -0.29 -0.43 3.32 -1.95 0.17 116.42 118.38 1yws h ASP 36 Ca 0.13 0.03 -0.07 0.00 0.02 0.00 0.00 57.03 57.14 1yws h ASP 36 Cb 0.04 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.48 1yws h ASP 36 CO -0.02 0.40 -0.09 0.44 -1.72 0.00 0.00 179.24 178.24 1yws h ASP 37 N 0.76 0.59 -0.51 6.45 3.32 -1.75 -1.48 116.42 123.80 1yws h ASP 37 Ca 0.32 -0.38 -0.01 0.00 0.02 0.00 0.00 57.03 56.98 1yws h ASP 37 Cb 0.20 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.56 1yws h ASP 37 CO -0.19 0.83 0.27 0.24 -1.72 0.00 0.00 179.24 178.68 1yws h MET 38 N 0.33 0.72 0.00 3.56 2.86 -1.16 -1.11 114.93 120.13 1yws h MET 38 Ca 0.07 -0.09 -0.09 0.00 -2.06 0.00 0.00 59.70 57.53 1yws h MET 38 Cb 0.59 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 32.10 1yws h MET 38 CO 0.03 0.57 -0.44 0.35 1.06 0.00 0.00 176.91 178.49 1yws h PHE 39 N 0.68 0.00 0.00 -0.22 3.57 -0.66 -2.46 116.94 117.85 1yws h PHE 39 Ca 0.18 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.68 1yws h PHE 39 Cb 0.07 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.81 1yws h PHE 39 CO -0.01 0.44 0.00 1.49 -2.23 0.00 0.00 178.31 178.00 1yws h GLU 40 N 0.00 0.00 0.00 1.11 4.81 -0.55 -3.46 114.58 116.49 1yws h GLU 40 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1yws h GLU 40 Cb 0.82 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.20 1yws h GLU 40 CO 0.06 0.00 0.00 0.41 -0.73 0.00 0.00 179.01 178.75 1yws n GLY 41 N 0.35 0.77 3.20 1.92 0.00 -0.89 -5.06 105.19 105.48 1yws n GLY 41 Ca 0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 1yws n GLY 41 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1yws s GLU 42 N -0.59 2.39 -0.44 1.61 2.02 -0.48 -5.01 118.70 118.20 1yws s GLU 42 Ca 0.00 -1.74 -0.07 0.00 0.02 0.00 0.00 54.97 53.18 1yws s GLU 42 Cb 0.00 -3.84 0.11 0.00 0.10 0.00 0.00 34.13 30.50 1yws s GLU 42 CO 0.00 -1.14 0.28 -1.59 0.02 0.00 0.00 175.26 172.83 1yws s LYS 43 N 1.32 2.38 -0.28 1.61 0.00 -1.26 -3.40 119.74 120.11 1yws s LYS 43 Ca 0.06 -1.70 -0.17 0.00 0.00 0.00 0.00 55.97 54.15 1yws s LYS 43 Cb -0.25 -3.79 0.10 0.00 0.00 0.00 0.00 37.83 33.89 1yws s LYS 43 CO -0.01 -1.10 0.80 0.54 0.00 0.00 0.00 175.35 175.58 1yws s VAL 44 N 1.32 0.00 -0.16 1.79 0.11 -1.26 -2.63 120.40 119.56 1yws s VAL 44 Ca 0.05 0.00 -0.08 0.00 -2.93 0.00 0.00 61.98 59.02 1yws s VAL 44 Cb -0.24 -1.00 -0.05 0.00 -1.53 0.00 0.00 36.38 33.56 1yws s VAL 44 CO -0.01 0.00 0.13 0.00 -3.33 0.00 0.00 175.10 171.89 1yws s ALA 45 N 1.36 3.77 -0.18 1.54 0.00 0.54 -4.80 121.76 123.99 1yws s ALA 45 Ca -0.08 -0.67 -0.01 0.00 0.00 0.00 0.00 51.96 51.20 1yws s ALA 45 Cb -0.05 -2.07 -0.00 0.00 0.00 0.00 0.00 23.12 21.00 1yws s ALA 45 CO -0.16 0.38 -0.11 0.08 0.00 0.00 0.00 175.76 175.95 1yws s VAL 46 N -0.30 2.92 -0.14 0.00 1.01 -0.60 -1.72 120.40 121.58 1yws s VAL 46 Ca 0.11 -0.66 -0.26 0.00 0.00 0.00 0.00 61.98 61.17 1yws s VAL 46 Cb -0.11 -2.28 -0.02 0.00 0.00 0.00 0.00 36.38 33.97 1yws s VAL 46 CO 0.01 0.48 0.86 0.00 0.00 0.00 0.00 175.10 176.45 1yws s PRO 48 N 1.95 3.02 0.00 0.00 0.04 -1.26 -1.22 135.00 137.53 1yws s PRO 48 Ca 0.41 1.17 0.00 0.00 0.04 0.00 0.00 61.00 62.62 1yws s PRO 48 Cb -0.17 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.37 1yws s PRO 48 CO 0.15 -1.05 0.00 0.45 0.04 0.00 0.00 177.00 176.59 1yws n SER 49 N -2.53 0.00 0.02 6.66 2.88 -1.26 -4.23 113.62 115.16 1yws n SER 49 Ca 0.09 0.00 0.02 0.00 -1.33 0.00 0.00 58.87 57.64 1yws n SER 49 Cb 0.53 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.90 1yws n SER 49 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1yws n SER 51 N -2.76 -6.63 -3.98 0.00 2.88 -0.36 -5.06 113.62 97.71 1yws n SER 51 Ca -0.10 0.40 -0.22 0.00 -1.33 0.00 0.00 58.87 57.61 1yws n SER 51 Cb 0.80 -4.42 -0.16 0.00 -0.75 0.00 0.00 64.21 59.68 1yws n SER 51 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 1yws s LEU 52 N -2.30 1.57 -0.05 2.46 0.20 -1.10 -4.91 118.68 114.55 1yws s LEU 52 Ca 0.19 -0.23 0.06 0.00 0.69 0.00 0.00 54.13 54.84 1yws s LEU 52 Cb -0.05 -0.66 -0.01 0.00 -0.43 0.00 0.00 46.19 45.03 1yws s LEU 52 CO 0.60 0.01 -0.23 -0.04 -0.29 0.00 0.00 176.35 176.40 1yws s MET 53 N 0.65 2.50 0.04 1.98 -1.94 -1.26 -0.05 119.30 121.21 1yws s MET 53 Ca -0.12 -0.87 -0.08 0.00 -1.71 0.00 0.00 55.69 52.91 1yws s MET 53 Cb -0.14 -2.19 -0.00 0.00 2.01 0.00 0.00 34.83 34.51 1yws s MET 53 CO 0.02 0.44 0.15 0.96 -0.01 0.00 0.00 175.02 176.59 1yws s ILE 54 N -0.30 0.12 0.51 2.53 -0.00 -0.70 -3.94 121.20 119.42 1yws s ILE 54 Ca 0.01 -1.01 -0.18 0.00 -0.00 0.00 0.00 60.65 59.46 1yws s ILE 54 Cb -0.13 -0.96 -0.08 0.00 -0.00 0.00 0.00 42.46 41.30 1yws s ILE 54 CO 0.02 -0.56 1.02 -1.81 -0.00 0.00 0.00 174.94 173.61 1yws s ASP 55 N -2.19 6.36 -0.09 4.36 1.11 0.65 -0.34 116.67 126.53 1yws s ASP 55 Ca -0.04 1.78 -0.01 0.00 0.18 0.00 0.00 52.55 54.46 1yws s ASP 55 Cb -0.00 -2.54 0.03 0.00 1.07 0.00 0.00 42.92 41.48 1yws s ASP 55 CO -0.05 -0.76 -0.04 -0.69 1.18 0.00 0.00 175.17 174.81 1yws s VAL 56 N -2.28 0.68 0.47 -1.27 1.01 -1.08 -1.05 120.40 116.87 1yws s VAL 56 Ca 0.63 -0.07 -0.21 0.00 0.00 0.00 0.00 61.98 62.34 1yws s VAL 56 Cb -0.13 -0.77 -0.09 0.00 0.00 0.00 0.00 36.38 35.38 1yws s VAL 56 CO 0.26 0.31 1.03 -0.69 0.00 0.00 0.00 175.10 176.00 1yws s VAL 57 N 1.84 3.87 0.15 2.92 1.01 0.12 -4.66 120.40 125.65 1yws s VAL 57 Ca 0.05 1.19 -0.08 0.00 0.00 0.00 0.00 61.98 63.14 1yws s VAL 57 Cb -0.12 -3.50 -0.01 0.00 0.00 0.00 0.00 36.38 32.75 1yws s VAL 57 CO -0.07 -0.22 0.25 0.72 0.00 0.00 0.00 175.10 175.79 1yws s PHE 58 N -1.97 0.41 0.17 5.22 -0.71 -1.26 -1.34 117.98 118.50 1yws s PHE 58 Ca 0.65 -0.78 0.08 0.00 -1.04 0.00 0.00 56.93 55.84 1yws s PHE 58 Cb -0.16 -0.09 -0.04 0.00 -1.21 0.00 0.00 43.02 41.51 1yws s PHE 58 CO 0.20 -0.68 -0.17 0.34 -1.34 0.00 0.00 175.22 173.57 1yws s ASP 59 N -2.96 2.58 0.14 1.98 2.15 -1.26 -5.00 116.67 114.29 1yws s ASP 59 Ca 0.16 -0.91 -0.17 0.00 0.43 0.00 0.00 52.55 52.06 1yws s ASP 59 Cb 0.04 -0.14 -0.02 0.00 -0.30 0.00 0.00 42.92 42.50 1yws s ASP 59 CO -0.01 -0.09 1.78 0.11 -0.17 0.00 0.00 175.17 176.78 1yws h LYS 60 N 3.04 0.45 -0.18 4.34 6.56 -2.02 -1.19 116.57 127.58 1yws h LYS 60 Ca -0.41 -0.04 -0.20 0.00 -1.06 0.00 0.00 60.65 58.95 1yws h LYS 60 Cb 1.21 -0.10 0.01 0.00 -0.57 0.00 0.00 32.23 32.78 1yws h LYS 60 CO 0.55 0.33 -0.67 0.93 -2.06 0.00 0.00 179.45 178.52 1yws h GLU 61 N 0.44 0.77 -0.74 3.15 5.08 -1.99 -2.47 114.58 118.82 1yws h GLU 61 Ca 0.12 -0.59 -0.06 0.00 -1.00 0.00 0.00 59.36 57.83 1yws h GLU 61 Cb -0.01 0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.32 1yws h GLU 61 CO -0.02 1.21 0.24 0.22 -1.00 0.00 0.00 179.01 179.66 1yws h ASP 62 N 0.50 1.06 0.20 1.42 3.58 -1.94 -0.72 116.42 120.51 1yws h ASP 62 Ca -0.03 -0.19 -0.01 0.00 0.42 0.00 0.00 57.03 57.22 1yws h ASP 62 Cb 1.30 -0.28 0.00 0.00 1.72 0.00 0.00 39.33 42.08 1yws h ASP 62 CO 0.14 0.97 -0.09 -0.07 -2.88 0.00 0.00 179.24 177.31 1yws h LEU 63 N 1.09 -0.22 -0.64 2.28 3.38 -1.22 -2.19 115.31 117.79 1yws h LEU 63 Ca 0.24 -0.15 0.09 0.00 0.09 0.00 0.00 57.88 58.15 1yws h LEU 63 Cb 0.28 0.06 -0.07 0.00 0.09 0.00 0.00 40.66 41.02 1yws h LEU 63 CO -0.01 0.03 0.27 0.00 0.09 0.00 0.00 178.44 178.82 1yws h ALA 64 N 0.28 0.85 -0.45 1.53 0.00 -1.13 0.12 119.26 120.46 1yws h ALA 64 Ca -0.03 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1yws h ALA 64 Cb 0.36 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1yws h ALA 64 CO 0.04 -0.14 0.21 1.49 0.00 0.00 0.00 179.25 180.85 1yws h GLU 65 N 0.47 0.65 -0.56 0.00 4.81 -1.14 -2.85 114.58 115.97 1yws h GLU 65 Ca 0.32 -0.10 -0.09 0.00 -0.13 0.00 0.00 59.36 59.36 1yws h GLU 65 Cb 0.38 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.62 1yws h GLU 65 CO -0.29 0.56 -0.02 -0.92 -0.73 0.00 0.00 179.01 177.61 1yws h TYR 66 N 0.58 1.09 -0.52 0.92 3.20 -0.55 -0.71 116.97 120.97 1yws h TYR 66 Ca 0.15 -0.19 0.10 0.00 3.14 0.00 0.00 58.73 61.93 1yws h TYR 66 Cb 0.13 -0.28 -0.09 0.00 1.54 0.00 0.00 36.73 38.03 1yws h TYR 66 CO -0.01 0.98 0.00 1.88 -1.64 0.00 0.00 178.16 179.38 1yws h TYR 67 N 0.87 -0.02 -0.17 -3.82 0.05 -0.70 0.22 116.97 113.39 1yws h TYR 67 Ca 0.16 0.04 -0.16 0.00 0.05 0.00 0.00 58.73 58.82 1yws h TYR 67 Cb 0.56 0.09 -0.01 0.00 1.01 0.00 0.00 36.73 38.39 1yws h TYR 67 CO 0.04 -0.12 -0.54 1.49 -1.05 0.00 0.00 178.16 177.98 1yws h GLU 68 N 0.12 0.51 -0.17 4.88 4.81 -1.25 0.16 114.58 123.63 1yws h GLU 68 Ca 0.27 -0.32 -0.08 0.00 -0.13 0.00 0.00 59.36 59.10 1yws h GLU 68 Cb 0.41 0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.82 1yws h GLU 68 CO -0.44 0.92 -0.20 0.93 -0.73 0.00 0.00 179.01 179.49 1yws h GLU 69 N 0.39 0.45 0.00 1.92 4.39 -0.41 -3.23 114.58 118.09 1yws h GLU 69 Ca 0.01 -0.25 0.00 0.00 0.34 0.00 0.00 59.36 59.46 1yws h GLU 69 Cb 1.08 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.74 1yws h GLU 69 CO 0.10 0.82 -0.05 0.00 -1.16 0.00 0.00 179.01 178.73 1yws n ALA 70 N -2.45 2.38 -1.97 3.43 0.00 0.70 -4.91 120.51 117.69 1yws n ALA 70 Ca -0.06 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1yws n ALA 70 Cb 0.41 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.41 1yws n ALA 70 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1yws n GLY 71 N 1.39 0.90 4.02 0.00 0.00 -0.95 -4.70 105.19 105.85 1yws n GLY 71 Ca 0.06 -0.53 -0.20 0.00 0.00 0.00 0.00 46.02 45.35 1yws n GLY 71 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1yws s ILE 72 N -2.78 2.27 0.03 -0.61 1.01 0.51 -5.02 121.20 116.60 1yws s ILE 72 Ca 0.00 -0.91 -0.32 0.00 0.00 0.00 0.00 60.65 59.42 1yws s ILE 72 Cb 0.00 -2.36 -0.11 0.00 0.01 0.00 0.00 42.46 40.00 1yws s ILE 72 CO 0.00 0.00 1.85 1.41 0.00 0.00 0.00 174.94 178.20 1yws n HIS 73 N -2.31 2.44 -1.68 3.97 8.25 -1.26 -4.71 115.22 119.91 1yws n HIS 73 Ca 0.14 -0.09 -0.52 0.00 -0.26 0.00 0.00 57.72 57.00 1yws n HIS 73 Cb 0.61 -2.70 -0.06 0.00 1.12 0.00 0.00 29.99 28.97 1yws n HIS 73 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 1yws n PRO 74 N 6.16 1.75 -2.49 -0.41 -0.02 -1.26 -4.88 135.00 133.84 1yws n PRO 74 Ca 0.20 0.64 -0.35 0.00 -2.02 0.00 0.00 63.50 61.97 1yws n PRO 74 Cb 0.34 -2.41 -0.03 0.00 -0.02 0.00 0.00 33.50 31.38 1yws n PRO 74 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1yws s PRO 75 N 3.34 3.90 0.45 0.52 0.04 -1.26 -5.03 135.00 136.96 1yws s PRO 75 Ca 0.93 1.48 -0.21 0.00 0.04 0.00 0.00 61.00 63.24 1yws s PRO 75 Cb -0.84 -2.29 -0.09 0.00 0.04 0.00 0.00 34.50 31.32 1yws s PRO 75 CO 0.55 -0.37 1.02 -1.21 0.04 0.00 0.00 177.00 177.03 1yws s GLU 76 N -2.90 4.00 0.27 4.56 2.02 -1.26 -4.97 118.70 120.42 1yws s GLU 76 Ca 0.64 1.35 -0.30 0.00 0.02 0.00 0.00 54.97 56.67 1yws s GLU 76 Cb -0.20 -2.24 -0.13 0.00 0.10 0.00 0.00 34.13 31.66 1yws s GLU 76 CO 0.25 -0.26 1.43 -2.30 0.02 0.00 0.00 175.26 174.39 1yws n PRO 77 N -0.64 2.21 -3.25 0.39 -0.02 -1.26 -4.99 135.00 127.43 1yws n PRO 77 Ca 0.08 0.78 -0.19 0.00 -2.02 0.00 0.00 63.50 62.14 1yws n PRO 77 Cb 0.52 -2.45 0.00 0.00 -0.02 0.00 0.00 33.50 31.55 1yws n PRO 77 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 1yws s ILE 78 N -0.28 3.80 -1.41 4.25 -4.36 -1.26 -4.99 121.20 116.95 1yws s ILE 78 Ca 0.64 -0.88 -0.15 0.00 -0.26 0.00 0.00 60.65 60.00 1yws s ILE 78 Cb -0.60 -3.33 0.05 0.00 1.25 0.00 0.00 42.46 39.83 1yws s ILE 78 CO 0.52 -0.15 2.08 0.00 0.24 0.00 0.00 174.94 177.63 1yws n ALA 79 N -1.80 4.95 -3.65 2.27 0.00 -1.26 -4.81 120.51 116.21 1yws n ALA 79 Ca 0.02 -3.87 -0.05 0.00 0.00 0.00 0.00 53.44 49.54 1yws n ALA 79 Cb 0.58 -3.56 -0.06 0.00 0.00 0.00 0.00 19.45 16.41 1yws n ALA 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1yws s ALA 80 N 3.49 -1.87 0.00 0.00 0.00 -1.26 -5.03 121.76 117.09 1yws s ALA 80 Ca 0.49 2.29 0.00 0.00 0.00 0.00 0.00 51.96 54.74 1yws s ALA 80 Cb 0.11 -1.55 0.00 0.00 0.00 0.00 0.00 23.12 21.68 1yws s ALA 80 CO -0.04 -0.64 0.00 0.00 0.00 0.00 0.00 175.76 175.08 1yws n ALA 81 N 4.88 2.88 -1.76 0.00 0.00 -1.26 -5.19 120.51 120.05 1yws n ALA 81 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.28 1yws n ALA 81 Cb 0.54 0.19 0.00 0.00 0.00 0.00 0.00 19.45 20.17 1yws n ALA 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50