#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 4.59 -0.20 7.83 1.04 -1.26 -5.09 113.70 120.61 1yws s SER 2 Ca 0.00 -1.24 -0.24 0.00 0.48 0.00 0.00 55.95 54.95 1yws s SER 2 Cb 0.00 0.29 -0.02 0.00 0.10 0.00 0.00 66.02 66.40 1yws s SER 2 CO 0.00 -1.01 0.76 0.42 0.98 0.00 0.00 173.24 174.40 1yws s THR 3 N -2.75 4.91 -0.89 2.02 -4.23 -1.26 -4.69 115.64 108.74 1yws s THR 3 Ca 0.33 1.46 0.25 0.00 -1.18 0.00 0.00 61.69 62.54 1yws s THR 3 Cb -0.01 -4.07 0.00 0.00 1.34 0.00 0.00 72.50 69.76 1yws s THR 3 CO 0.20 0.02 1.36 -1.22 -0.54 0.00 0.00 174.62 174.44 1yws n TYR 4 N 5.41 0.13 -4.16 3.99 4.02 -1.03 -4.88 117.16 120.64 1yws n TYR 4 Ca 0.03 0.04 -0.11 0.00 -0.01 0.00 0.00 57.90 57.84 1yws n TYR 4 Cb 0.49 -0.35 -0.09 0.00 -0.02 0.00 0.00 39.34 39.37 1yws n TYR 4 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 1yws s ASP 5 N -3.32 0.12 -0.25 7.72 1.01 -1.26 -5.06 116.67 115.62 1yws s ASP 5 Ca 0.09 -1.30 -0.08 0.00 0.71 0.00 0.00 52.55 51.98 1yws s ASP 5 Cb 0.16 0.41 0.11 0.00 1.01 0.00 0.00 42.92 44.62 1yws s ASP 5 CO 0.71 -0.88 0.52 -0.70 0.21 0.00 0.00 175.17 175.04 1yws s GLU 6 N -4.13 0.45 0.07 8.23 2.12 -1.26 -0.25 118.70 123.93 1yws s GLU 6 Ca 0.35 1.19 0.03 0.00 0.36 0.00 0.00 54.97 56.90 1yws s GLU 6 Cb 0.06 0.54 -0.03 0.00 0.26 0.00 0.00 34.13 34.95 1yws s GLU 6 CO 0.11 -0.27 -0.08 0.42 -0.54 0.00 0.00 175.26 174.90 1yws s ILE 7 N 2.74 0.71 0.55 -3.70 1.09 -0.45 -4.95 121.20 117.20 1yws s ILE 7 Ca -0.02 -1.45 -0.18 0.00 -1.10 0.00 0.00 60.65 57.90 1yws s ILE 7 Cb -0.12 -1.10 -0.05 0.00 -1.06 0.00 0.00 42.46 40.13 1yws s ILE 7 CO -0.16 -0.54 1.08 -1.61 -0.10 0.00 0.00 174.94 173.60 1yws s GLU 8 N -2.47 3.42 0.54 2.79 2.02 -1.26 0.26 118.70 123.99 1yws s GLU 8 Ca -0.00 1.38 0.25 0.00 0.02 0.00 0.00 54.97 56.62 1yws s GLU 8 Cb -0.04 -2.04 1.43 0.00 0.10 0.00 0.00 34.13 33.58 1yws s GLU 8 CO -0.01 -0.75 2.02 0.97 0.02 0.00 0.00 175.26 177.51 1yws h ILE 9 N 0.94 0.70 -0.35 -1.63 2.10 -0.42 -1.48 117.51 117.36 1yws h ILE 9 Ca -0.48 0.00 -0.07 0.00 1.08 0.00 0.00 64.86 65.39 1yws h ILE 9 Cb 1.23 0.77 -0.02 0.00 -1.09 0.00 0.00 36.82 37.72 1yws h ILE 9 CO 0.57 0.00 -0.06 -0.08 -1.08 0.00 0.00 178.15 177.51 1yws h GLU 10 N 0.00 0.58 0.00 2.19 4.81 -1.91 -3.12 114.58 117.12 1yws h GLU 10 Ca 0.19 -0.15 -0.15 0.00 -0.13 0.00 0.00 59.36 59.13 1yws h GLU 10 Cb 0.82 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 30.11 1yws h GLU 10 CO -0.00 0.64 -0.70 0.22 -0.73 0.00 0.00 179.01 178.44 1yws h ASP 11 N 0.54 0.00 -4.34 1.04 3.58 -1.64 -3.45 116.42 112.15 1yws h ASP 11 Ca 0.11 0.00 -0.51 0.00 0.42 0.00 0.00 57.03 57.05 1yws h ASP 11 Cb 0.44 0.00 0.09 0.00 1.72 0.00 0.00 39.33 41.58 1yws h ASP 11 CO 0.02 0.70 0.37 -0.04 -2.88 0.00 0.00 179.24 177.41 1yws s MET 12 N -3.02 2.84 -0.34 0.28 -1.94 -1.18 -5.02 119.30 110.93 1yws s MET 12 Ca 0.02 0.84 -0.17 0.00 -1.71 0.00 0.00 55.69 54.67 1yws s MET 12 Cb 0.10 -1.99 -0.01 0.00 2.01 0.00 0.00 34.83 34.94 1yws s MET 12 CO 0.77 -1.14 0.44 0.99 -0.01 0.00 0.00 175.02 176.07 1yws s THR 13 N -3.10 5.09 0.19 2.05 2.01 0.70 -4.92 115.64 117.66 1yws s THR 13 Ca 0.58 0.27 -0.28 0.00 0.31 0.00 0.00 61.69 62.57 1yws s THR 13 Cb -0.14 -3.88 -0.08 0.00 0.01 0.00 0.00 72.50 68.41 1yws s THR 13 CO 0.55 -0.12 0.89 0.72 -0.69 0.00 0.00 174.62 175.97 1yws s PHE 14 N 2.22 3.93 -0.51 4.92 -0.71 -1.26 0.10 117.98 126.66 1yws s PHE 14 Ca 0.16 1.80 0.03 0.00 -1.04 0.00 0.00 56.93 57.88 1yws s PHE 14 Cb -0.16 -2.93 0.13 0.00 -1.21 0.00 0.00 43.02 38.85 1yws s PHE 14 CO 0.12 0.43 0.25 -2.00 -1.34 0.00 0.00 175.22 172.68 1yws s GLU 15 N -0.93 1.99 0.44 1.99 -6.30 0.87 -4.90 118.70 111.86 1yws s GLU 15 Ca 0.40 -2.51 0.18 0.00 -2.50 0.00 0.00 54.97 50.54 1yws s GLU 15 Cb -0.25 -3.36 1.02 0.00 0.00 0.00 0.00 34.13 31.54 1yws s GLU 15 CO 0.30 -1.10 1.95 -1.00 0.02 0.00 0.00 175.26 175.43 1yws h PRO 16 N 6.72 0.00 0.00 4.30 0.13 -1.94 -2.01 132.00 139.21 1yws h PRO 16 Ca -0.07 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.04 1yws h PRO 16 Cb 0.92 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.04 1yws h PRO 16 CO 0.67 0.23 -0.09 0.93 -0.23 0.00 0.00 178.00 179.52 1yws h GLU 17 N 0.00 0.00 -0.10 0.86 5.08 -1.93 -2.26 114.58 116.24 1yws h GLU 17 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1yws h GLU 17 Cb 0.46 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.71 1yws h GLU 17 CO 0.03 0.09 0.00 0.09 -1.00 0.00 0.00 179.01 178.22 1yws n ASN 18 N -3.22 2.06 -3.75 1.42 3.02 -1.00 -4.99 115.26 108.80 1yws n ASN 18 Ca 0.01 -1.58 -0.25 0.00 -0.03 0.00 0.00 54.58 52.72 1yws n ASN 18 Cb 0.36 -0.06 0.04 0.00 -0.61 0.00 0.00 39.78 39.51 1yws n ASN 18 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1yws n GLN 19 N 0.40 -5.77 -3.99 3.52 3.00 -0.85 -4.93 117.38 108.76 1yws n GLN 19 Ca 0.06 0.66 -0.10 0.00 -0.01 0.00 0.00 57.00 57.62 1yws n GLN 19 Cb 0.27 -5.47 -0.07 0.00 0.00 0.00 0.00 30.24 24.97 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 -6.24 1.15 0.03 -1.09 0.23 -0.81 -2.24 119.30 110.33 1yws s MET 20 Ca 0.36 -1.22 0.05 0.00 -1.03 0.00 0.00 55.69 53.84 1yws s MET 20 Cb -0.17 0.36 -0.03 0.00 -1.53 0.00 0.00 34.83 33.46 1yws s MET 20 CO 0.80 -0.42 -0.10 -0.06 -2.03 0.00 0.00 175.02 173.22 1yws s PHE 21 N -3.99 2.79 0.11 3.16 0.40 0.33 -0.09 117.98 120.70 1yws s PHE 21 Ca 0.19 -0.11 0.04 0.00 -0.60 0.00 0.00 56.93 56.45 1yws s PHE 21 Cb 0.04 -1.55 -0.04 0.00 0.51 0.00 0.00 43.02 41.98 1yws s PHE 21 CO 0.01 0.35 -0.09 0.95 0.70 0.00 0.00 175.22 177.14 1yws s THR 22 N -1.02 0.97 -0.03 0.64 -4.23 0.11 -0.86 115.64 111.22 1yws s THR 22 Ca 0.17 -1.84 -0.01 0.00 -1.18 0.00 0.00 61.69 58.83 1yws s THR 22 Cb -0.11 -1.59 0.03 0.00 1.34 0.00 0.00 72.50 72.17 1yws s THR 22 CO 0.08 -0.69 0.06 -0.47 -0.54 0.00 0.00 174.62 173.06 1yws s TYR 23 N -2.98 0.02 0.05 3.99 5.04 0.10 -0.21 117.35 123.36 1yws s TYR 23 Ca 0.11 0.23 -0.36 0.00 -2.44 0.00 0.00 57.07 54.60 1yws s TYR 23 Cb 0.01 -0.34 -0.15 0.00 0.35 0.00 0.00 41.96 41.83 1yws s TYR 23 CO -0.01 -0.15 1.52 -2.30 -1.34 0.00 0.00 175.55 173.27 1yws n PRO 24 N 4.73 1.58 -3.77 4.97 -0.02 -1.26 -0.96 135.00 140.27 1yws n PRO 24 Ca -0.16 0.57 -0.13 0.00 -2.02 0.00 0.00 63.50 61.77 1yws n PRO 24 Cb 0.50 -2.28 -0.13 0.00 -0.02 0.00 0.00 33.50 31.57 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 0.67 4.01 0.01 0.00 0.05 -1.26 -4.55 135.00 133.94 1yws s PRO 26 Ca -0.05 0.61 0.00 0.00 0.05 0.00 0.00 61.00 61.61 1yws s PRO 26 Cb -0.06 -3.70 0.00 0.00 0.05 0.00 0.00 34.50 30.79 1yws s PRO 26 CO -0.04 -0.60 0.00 0.00 0.05 0.00 0.00 177.00 176.41 1yws n GLY 28 N -1.04 0.14 3.32 0.00 0.00 -1.26 -4.97 105.19 101.37 1yws n GLY 28 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 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 1.40 0.09 1.61 -1.08 -1.26 -5.10 116.67 112.33 1yws s ASP 29 Ca 0.00 -1.56 0.09 0.00 -0.52 0.00 0.00 52.55 50.56 1yws s ASP 29 Cb 0.00 0.40 -0.04 0.00 -1.46 0.00 0.00 42.92 41.83 1yws s ASP 29 CO 0.00 -0.90 -0.23 0.00 0.52 0.00 0.00 175.17 174.56 1yws s ARG 30 N -3.82 1.70 0.02 4.34 1.04 -1.26 -4.37 118.95 116.59 1yws s ARG 30 Ca 0.37 -1.19 -0.38 0.00 -1.04 0.00 0.00 55.73 53.48 1yws s ARG 30 Cb 0.05 -2.02 -0.18 0.00 -2.04 0.00 0.00 34.95 30.77 1yws s ARG 30 CO 0.18 0.49 1.32 1.19 -0.04 0.00 0.00 175.30 178.43 1yws n PHE 31 N 1.20 1.35 -4.46 5.89 3.72 -0.13 -4.69 117.46 120.35 1yws n PHE 31 Ca -0.17 0.75 -0.20 0.00 -0.05 0.00 0.00 57.45 57.77 1yws n PHE 31 Cb 0.53 -2.28 -0.15 0.00 -0.94 0.00 0.00 39.48 36.63 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 0.70 0.96 -0.06 -1.08 -2.07 0.44 -0.72 119.66 117.84 1yws s GLN 32 Ca 0.88 -0.37 -0.03 0.00 -1.82 0.00 0.00 55.36 54.02 1yws s GLN 32 Cb -1.06 -0.91 0.04 0.00 -1.09 0.00 0.00 33.01 29.99 1yws s GLN 32 CO 0.52 0.19 0.14 -1.50 -1.32 0.00 0.00 175.29 173.31 1yws s ILE 33 N -0.07 -0.06 0.20 3.63 2.07 -0.04 -1.87 121.20 125.06 1yws s ILE 33 Ca 0.01 0.19 -0.19 0.00 -1.41 0.00 0.00 60.65 59.25 1yws s ILE 33 Cb -0.06 -0.23 -0.08 0.00 0.13 0.00 0.00 42.46 42.22 1yws s ILE 33 CO 0.00 0.08 0.70 -0.31 -1.91 0.00 0.00 174.94 173.50 1yws s TYR 34 N 1.21 3.67 0.31 3.50 2.02 -1.26 -0.51 117.35 126.29 1yws s TYR 34 Ca -0.09 1.36 0.01 0.00 -0.37 0.00 0.00 57.07 57.99 1yws s TYR 34 Cb -0.12 -2.60 0.51 0.00 -0.40 0.00 0.00 41.96 39.36 1yws s TYR 34 CO -0.06 0.37 1.90 1.25 -1.57 0.00 0.00 175.55 177.44 1yws h LEU 35 N 3.56 0.72 -1.14 -1.29 7.12 -1.81 -2.22 115.31 120.25 1yws h LEU 35 Ca -0.48 -0.09 -0.07 0.00 0.13 0.00 0.00 57.88 57.37 1yws h LEU 35 Cb 1.20 -0.18 -0.02 0.00 -0.53 0.00 0.00 40.66 41.13 1yws h LEU 35 CO 0.65 0.65 -0.11 -2.24 -0.13 0.00 0.00 178.44 177.26 1yws h ASP 36 N 0.78 0.45 -0.49 1.25 2.03 -1.93 0.15 116.42 118.66 1yws h ASP 36 Ca 0.19 -0.11 -0.02 0.00 -0.73 0.00 0.00 57.03 56.35 1yws h ASP 36 Cb 0.16 -0.12 -0.02 0.00 -0.83 0.00 0.00 39.33 38.52 1yws h ASP 36 CO -0.02 0.60 0.21 0.44 -1.03 0.00 0.00 179.24 179.44 1yws h ASP 37 N 0.44 0.66 -0.69 4.15 3.32 -1.73 -1.74 116.42 120.83 1yws h ASP 37 Ca 0.08 -0.16 -0.03 0.00 0.02 0.00 0.00 57.03 56.95 1yws h ASP 37 Cb 0.46 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.81 1yws h ASP 37 CO 0.03 0.64 0.31 0.24 -1.72 0.00 0.00 179.24 178.73 1yws h MET 38 N 0.64 1.02 -0.09 3.56 2.86 -1.08 -2.29 114.93 119.54 1yws h MET 38 Ca 0.16 -0.16 -0.06 0.00 -2.06 0.00 0.00 59.70 57.57 1yws h MET 38 Cb 0.17 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.65 1yws h MET 38 CO -0.02 0.82 -0.24 0.35 1.06 0.00 0.00 176.91 178.89 1yws h PHE 39 N 0.98 0.17 0.00 -0.22 3.57 -0.81 -1.70 116.94 118.92 1yws h PHE 39 Ca 0.24 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.71 1yws h PHE 39 Cb 0.16 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 38.85 1yws h PHE 39 CO 0.01 0.39 0.00 0.39 -2.23 0.00 0.00 178.31 176.87 1yws n GLU 40 N -4.20 0.49 0.00 1.11 -0.58 -0.67 -4.86 120.64 111.93 1yws n GLU 40 Ca -0.01 0.04 0.00 0.00 -0.42 0.00 0.00 57.16 56.77 1yws n GLU 40 Cb 0.33 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.70 1yws n GLU 40 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1yws n GLY 41 N 0.72 2.63 3.42 0.62 0.00 -0.64 -5.02 105.19 106.92 1yws n GLY 41 Ca 0.14 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.78 3.31 -0.52 1.61 2.02 -1.04 -4.98 118.70 118.32 1yws s GLU 42 Ca 0.00 -1.42 -0.15 0.00 0.02 0.00 0.00 54.97 53.41 1yws s GLU 42 Cb 0.00 -4.51 0.12 0.00 0.10 0.00 0.00 34.13 29.84 1yws s GLU 42 CO 0.00 -1.69 0.47 -1.59 0.02 0.00 0.00 175.26 172.46 1yws s LYS 43 N 2.91 2.94 -0.29 1.61 0.00 -1.26 -3.76 119.74 121.89 1yws s LYS 43 Ca 0.23 -1.65 -0.15 0.00 0.00 0.00 0.00 55.97 54.40 1yws s LYS 43 Cb -0.14 -4.23 0.13 0.00 0.00 0.00 0.00 37.83 33.59 1yws s LYS 43 CO 0.00 -1.26 0.85 0.54 0.00 0.00 0.00 175.35 175.48 1yws s VAL 44 N 1.58 -0.22 -0.05 1.79 0.11 -1.26 -2.72 120.40 119.63 1yws s VAL 44 Ca 0.03 0.00 -0.04 0.00 -2.93 0.00 0.00 61.98 59.04 1yws s VAL 44 Cb -0.29 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.52 1yws s VAL 44 CO 0.03 0.00 0.17 0.00 -3.33 0.00 0.00 175.10 171.97 1yws s ALA 45 N 1.82 3.93 -0.02 1.54 0.00 0.59 -4.85 121.76 124.76 1yws s ALA 45 Ca -0.08 -0.71 0.08 0.00 0.00 0.00 0.00 51.96 51.25 1yws s ALA 45 Cb -0.06 -1.92 -0.02 0.00 0.00 0.00 0.00 23.12 21.12 1yws s ALA 45 CO -0.17 0.70 -0.25 0.54 0.00 0.00 0.00 175.76 176.57 1yws s VAL 46 N -1.20 2.15 -0.25 0.00 0.11 -0.78 -1.51 120.40 118.91 1yws s VAL 46 Ca 0.22 -1.08 -0.06 0.00 -2.93 0.00 0.00 61.98 58.14 1yws s VAL 46 Cb -0.12 -1.75 -0.01 0.00 -1.53 0.00 0.00 36.38 32.97 1yws s VAL 46 CO 0.13 0.58 0.03 0.00 -3.33 0.00 0.00 175.10 172.50 1yws s PRO 48 N 1.51 2.73 0.00 0.00 0.04 -1.26 -0.41 135.00 137.61 1yws s PRO 48 Ca 0.05 1.29 0.00 0.00 0.04 0.00 0.00 61.00 62.37 1yws s PRO 48 Cb -0.16 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.44 1yws s PRO 48 CO 0.00 -1.29 0.00 0.45 0.04 0.00 0.00 177.00 176.21 1yws n SER 49 N -2.69 0.00 0.01 6.66 2.88 -1.26 -4.19 113.62 115.03 1yws n SER 49 Ca 0.10 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.58 1yws n SER 49 Cb 0.52 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.87 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 -3.02 -3.44 -4.53 0.00 7.64 0.45 -5.03 113.62 105.69 1yws n SER 51 Ca -0.13 -0.43 -0.34 0.00 1.01 0.00 0.00 58.87 58.99 1yws n SER 51 Cb 0.96 -3.55 -0.12 0.00 -1.01 0.00 0.00 64.21 60.49 1yws n SER 51 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1yws s LEU 52 N -4.72 3.09 -0.03 -3.43 0.20 -1.04 -4.91 118.68 107.85 1yws s LEU 52 Ca 0.14 -0.10 0.06 0.00 0.69 0.00 0.00 54.13 54.92 1yws s LEU 52 Cb -0.02 -1.69 -0.01 0.00 -0.43 0.00 0.00 46.19 44.04 1yws s LEU 52 CO 0.48 0.29 -0.21 -0.04 -0.29 0.00 0.00 176.35 176.59 1yws s MET 53 N -0.40 1.86 0.03 1.98 -1.94 -1.26 -0.47 119.30 119.09 1yws s MET 53 Ca 0.06 -0.74 -0.01 0.00 -1.71 0.00 0.00 55.69 53.29 1yws s MET 53 Cb -0.12 -1.70 -0.03 0.00 2.01 0.00 0.00 34.83 34.99 1yws s MET 53 CO 0.02 0.38 -0.02 0.96 -0.01 0.00 0.00 175.02 176.35 1yws s ILE 54 N -0.30 0.15 0.58 2.53 -0.00 -0.57 -2.47 121.20 121.13 1yws s ILE 54 Ca 0.03 -1.24 -0.10 0.00 -0.00 0.00 0.00 60.65 59.35 1yws s ILE 54 Cb -0.10 -0.74 -0.04 0.00 -0.00 0.00 0.00 42.46 41.58 1yws s ILE 54 CO 0.01 -0.68 0.96 -1.81 -0.00 0.00 0.00 174.94 173.42 1yws s ASP 55 N -2.01 6.25 0.02 4.36 1.01 0.65 -0.30 116.67 126.65 1yws s ASP 55 Ca -0.07 1.29 0.04 0.00 0.71 0.00 0.00 52.55 54.52 1yws s ASP 55 Cb -0.03 -2.41 -0.02 0.00 1.01 0.00 0.00 42.92 41.47 1yws s ASP 55 CO -0.04 -0.78 -0.13 -0.69 0.21 0.00 0.00 175.17 173.74 1yws s VAL 56 N -3.04 0.99 -0.37 -1.27 1.01 -1.10 -1.34 120.40 115.28 1yws s VAL 56 Ca 0.53 -0.83 -0.09 0.00 0.00 0.00 0.00 61.98 61.59 1yws s VAL 56 Cb -0.11 -0.89 0.04 0.00 0.00 0.00 0.00 36.38 35.43 1yws s VAL 56 CO 0.51 0.05 0.19 -0.69 0.00 0.00 0.00 175.10 175.16 1yws s VAL 57 N -0.70 4.25 0.34 2.92 1.01 0.14 -4.78 120.40 123.58 1yws s VAL 57 Ca 0.02 -1.07 0.08 0.00 0.00 0.00 0.00 61.98 61.01 1yws s VAL 57 Cb -0.07 -3.44 -0.05 0.00 0.00 0.00 0.00 36.38 32.83 1yws s VAL 57 CO 0.01 -0.28 0.11 0.72 0.00 0.00 0.00 175.10 175.65 1yws s PHE 58 N 1.48 2.66 0.34 5.22 -0.12 -1.26 0.39 117.98 126.68 1yws s PHE 58 Ca 0.01 -0.41 0.04 0.00 -0.05 0.00 0.00 56.93 56.52 1yws s PHE 58 Cb -0.20 -1.61 -0.06 0.00 -0.63 0.00 0.00 43.02 40.52 1yws s PHE 58 CO 0.04 0.37 0.06 0.34 -0.05 0.00 0.00 175.22 175.98 1yws s ASP 59 N -3.81 2.55 0.11 1.98 -1.08 -1.26 -5.00 116.67 110.15 1yws s ASP 59 Ca 0.37 -1.40 -0.18 0.00 -0.52 0.00 0.00 52.55 50.82 1yws s ASP 59 Cb -0.01 -0.06 -0.05 0.00 -1.46 0.00 0.00 42.92 41.33 1yws s ASP 59 CO 0.22 -0.62 1.64 0.11 0.52 0.00 0.00 175.17 177.04 1yws h LYS 60 N 2.05 0.45 -0.14 4.34 1.57 -2.00 -2.32 116.57 120.52 1yws h LYS 60 Ca -0.41 -0.09 -0.19 0.00 -1.87 0.00 0.00 60.65 58.09 1yws h LYS 60 Cb 1.25 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.49 1yws h LYS 60 CO 0.70 0.48 -0.70 0.93 -0.57 0.00 0.00 179.45 180.29 1yws h GLU 61 N 0.32 0.62 -0.11 3.15 5.08 -1.96 -1.44 114.58 120.22 1yws h GLU 61 Ca 0.10 -0.47 -0.04 0.00 -1.00 0.00 0.00 59.36 57.94 1yws h GLU 61 Cb 0.21 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 1yws h GLU 61 CO -0.01 1.09 -0.12 -0.44 -1.00 0.00 0.00 179.01 178.53 1yws h ASP 62 N 0.43 0.16 -0.03 1.42 3.32 -1.95 0.78 116.42 120.57 1yws h ASP 62 Ca -0.03 -0.03 -0.12 0.00 0.02 0.00 0.00 57.03 56.87 1yws h ASP 62 Cb 1.29 -0.04 0.01 0.00 0.22 0.00 0.00 39.33 40.81 1yws h ASP 62 CO 0.13 0.31 -0.45 -0.07 -1.72 0.00 0.00 179.24 177.45 1yws h LEU 63 N 0.17 0.44 -0.04 1.55 3.38 -1.24 -2.84 115.31 116.73 1yws h LEU 63 Ca 0.04 -0.73 0.00 0.00 0.09 0.00 0.00 57.88 57.28 1yws h LEU 63 Cb 0.33 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 1yws h LEU 63 CO 0.02 1.10 0.02 0.00 0.09 0.00 0.00 178.44 179.68 1yws h ALA 64 N 0.34 0.05 -0.76 1.53 0.00 -0.74 0.24 119.26 119.93 1yws h ALA 64 Ca -0.05 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 1yws h ALA 64 Cb 1.15 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.89 1yws h ALA 64 CO 0.09 -0.46 0.27 0.93 0.00 0.00 0.00 179.25 180.09 1yws h GLU 65 N 0.05 1.16 -0.34 0.00 3.07 -0.99 -2.38 114.58 115.15 1yws h GLU 65 Ca 0.02 -0.23 -0.14 0.00 -0.50 0.00 0.00 59.36 58.51 1yws h GLU 65 Cb -0.00 -0.18 -0.01 0.00 -0.84 0.00 0.00 28.75 27.72 1yws h GLU 65 CO -0.01 0.96 -0.35 -0.92 -1.40 0.00 0.00 179.01 177.29 1yws h TYR 66 N 1.11 0.92 -0.56 4.33 3.20 -1.24 -1.18 116.97 123.56 1yws h TYR 66 Ca 0.25 -0.26 0.05 0.00 3.14 0.00 0.00 58.73 61.91 1yws h TYR 66 Cb 0.26 -0.20 -0.05 0.00 1.54 0.00 0.00 36.73 38.28 1yws h TYR 66 CO 0.02 1.02 0.30 -0.92 -1.64 0.00 0.00 178.16 176.94 1yws h TYR 67 N 0.65 0.54 0.00 -3.82 3.20 -0.22 0.43 116.97 117.76 1yws h TYR 67 Ca 0.06 0.02 -0.10 0.00 3.14 0.00 0.00 58.73 61.86 1yws h TYR 67 Cb 0.90 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.99 1yws h TYR 67 CO 0.05 0.27 -0.47 0.93 -1.64 0.00 0.00 178.16 177.29 1yws h GLU 68 N 0.57 0.00 0.20 1.82 5.08 -1.31 -0.22 114.58 120.71 1yws h GLU 68 Ca 0.25 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.30 1yws h GLU 68 Cb 0.14 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.43 1yws h GLU 68 CO -0.16 0.47 -1.34 0.93 -1.00 0.00 0.00 179.01 177.91 1yws h GLU 69 N 0.00 0.55 0.00 2.33 4.39 -0.54 -3.34 114.58 117.97 1yws h GLU 69 Ca -0.00 -0.86 -0.15 0.00 0.34 0.00 0.00 59.36 58.68 1yws h GLU 69 Cb 1.18 0.31 -0.02 0.00 -0.10 0.00 0.00 28.75 30.12 1yws h GLU 69 CO 0.06 1.40 -0.93 0.00 -1.16 0.00 0.00 179.01 178.39 1yws h ALA 70 N 0.19 0.62 -2.70 3.43 0.00 -0.19 -3.49 119.26 117.12 1yws h ALA 70 Ca -0.22 -0.71 -0.03 0.00 0.00 0.00 0.00 54.91 53.95 1yws h ALA 70 Cb 2.03 0.04 0.02 0.00 0.00 0.00 0.00 17.79 19.88 1yws h ALA 70 CO 0.25 0.88 -0.08 0.41 0.00 0.00 0.00 179.25 180.71 1yws n GLY 71 N 1.32 0.51 3.80 0.00 0.00 -0.16 -4.74 105.19 105.90 1yws n GLY 71 Ca -0.03 -0.33 -0.37 0.00 0.00 0.00 0.00 46.02 45.29 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 -3.04 4.40 -0.09 -0.61 1.01 -0.80 -4.98 121.20 117.10 1yws s ILE 72 Ca 0.02 1.55 -0.36 0.00 0.00 0.00 0.00 60.65 61.86 1yws s ILE 72 Cb -0.00 -3.96 -0.14 0.00 0.01 0.00 0.00 42.46 38.37 1yws s ILE 72 CO 0.07 0.23 1.75 1.57 0.00 0.00 0.00 174.94 178.55 1yws n HIS 73 N 0.78 2.17 -0.97 3.97 -0.00 -1.26 -4.64 115.22 115.27 1yws n HIS 73 Ca -0.01 0.25 -0.40 0.00 -0.00 0.00 0.00 57.72 57.56 1yws n HIS 73 Cb 0.50 -2.56 -0.09 0.00 -0.00 0.00 0.00 29.99 27.84 1yws n HIS 73 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.34 174.04 1yws n PRO 74 N 5.40 0.00 -1.97 1.57 -0.01 -1.26 -4.94 135.00 133.79 1yws n PRO 74 Ca 0.22 0.00 -0.29 0.00 -0.01 0.00 0.00 63.50 63.42 1yws n PRO 74 Cb 0.24 -1.10 0.05 0.00 -0.01 0.00 0.00 33.50 32.68 1yws n PRO 74 CO 0.00 0.00 0.00 -2.14 -0.01 0.00 0.00 175.50 173.35 1yws s PRO 75 N 5.02 2.78 0.49 0.52 0.02 -1.26 -5.06 135.00 137.50 1yws s PRO 75 Ca 0.91 0.35 -0.21 0.00 0.02 0.00 0.00 61.00 62.07 1yws s PRO 75 Cb -1.05 -2.06 -0.08 0.00 0.02 0.00 0.00 34.50 31.34 1yws s PRO 75 CO 0.45 -1.04 1.07 -1.21 -0.33 0.00 0.00 177.00 175.95 1yws s GLU 76 N -5.32 3.73 0.32 5.54 2.02 -1.26 -4.96 118.70 118.77 1yws s GLU 76 Ca 0.58 1.48 -0.29 0.00 0.02 0.00 0.00 54.97 56.76 1yws s GLU 76 Cb -0.11 -2.16 -0.12 0.00 0.10 0.00 0.00 34.13 31.84 1yws s GLU 76 CO 0.50 -0.51 1.40 -0.35 0.02 0.00 0.00 175.26 176.32 1yws n PRO 77 N -0.89 2.31 -3.17 0.39 -0.04 -1.26 -5.00 135.00 127.33 1yws n PRO 77 Ca 0.09 0.81 -0.18 0.00 -0.04 0.00 0.00 63.50 64.18 1yws n PRO 77 Cb 0.51 -2.47 0.01 0.00 -0.04 0.00 0.00 33.50 31.51 1yws n PRO 77 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 1yws s ILE 78 N -0.70 2.78 -1.19 0.52 -4.36 -1.26 -5.01 121.20 111.97 1yws s ILE 78 Ca 0.59 -1.10 -0.19 0.00 -0.26 0.00 0.00 60.65 59.69 1yws s ILE 78 Cb -0.56 -2.88 0.07 0.00 1.25 0.00 0.00 42.46 40.35 1yws s ILE 78 CO 0.58 0.00 1.61 0.00 0.24 0.00 0.00 174.94 177.37 1yws s ALA 79 N -2.43 3.16 -0.37 2.27 0.00 -1.26 -4.81 121.76 118.32 1yws s ALA 79 Ca 0.54 -2.72 0.02 0.00 0.00 0.00 0.00 51.96 49.79 1yws s ALA 79 Cb -0.08 -4.57 0.15 0.00 0.00 0.00 0.00 23.12 18.63 1yws s ALA 79 CO 0.32 -3.37 0.29 0.00 0.00 0.00 0.00 175.76 173.00 1yws s ALA 80 N 4.29 0.45 -0.23 0.00 0.00 -1.26 -5.02 121.76 120.00 1yws s ALA 80 Ca 0.50 -1.60 -0.01 0.00 0.00 0.00 0.00 51.96 50.85 1yws s ALA 80 Cb 0.02 -1.78 0.06 0.00 0.00 0.00 0.00 23.12 21.43 1yws s ALA 80 CO 0.01 -2.11 -0.00 0.00 0.00 0.00 0.00 175.76 173.66 1yws s ALA 81 N 1.08 1.58 0.00 0.00 0.00 -1.26 -5.20 121.76 117.95 1yws s ALA 81 Ca 0.19 -1.16 0.00 0.00 0.00 0.00 0.00 51.96 50.99 1yws s ALA 81 Cb -0.17 -1.37 0.00 0.00 0.00 0.00 0.00 23.12 21.58 1yws s ALA 81 CO -0.02 -1.24 0.04 0.00 0.00 0.00 0.00 175.76 174.54