#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 1.89 -0.48 6.12 0.01 -1.26 -5.11 113.70 114.88 1yws s SER 2 Ca 0.00 -1.43 -0.23 0.00 1.31 0.00 0.00 55.95 55.60 1yws s SER 2 Cb 0.00 0.12 0.03 0.00 0.21 0.00 0.00 66.02 66.38 1yws s SER 2 CO 0.00 -0.72 0.80 0.42 0.41 0.00 0.00 173.24 174.15 1yws s THR 3 N -3.49 4.62 -2.83 1.44 -4.23 -1.26 -4.85 115.64 105.05 1yws s THR 3 Ca 0.36 0.28 0.25 0.00 -1.18 0.00 0.00 61.69 61.39 1yws s THR 3 Cb 0.07 -4.36 0.23 0.00 1.34 0.00 0.00 72.50 69.78 1yws s THR 3 CO 0.15 -0.81 1.32 -1.22 -0.54 0.00 0.00 174.62 173.52 1yws n TYR 4 N 6.80 0.00 -4.24 3.99 4.01 -1.26 -4.83 117.16 121.63 1yws n TYR 4 Ca 0.01 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.62 1yws n TYR 4 Cb 0.48 -0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.40 1yws n TYR 4 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1yws s ASP 5 N -2.05 1.37 -0.30 7.72 1.01 -1.26 -5.07 116.67 118.09 1yws s ASP 5 Ca 0.29 -1.12 -0.10 0.00 0.71 0.00 0.00 52.55 52.33 1yws s ASP 5 Cb 0.20 0.08 0.13 0.00 1.01 0.00 0.00 42.92 44.34 1yws s ASP 5 CO 0.33 -0.50 0.65 -0.70 0.21 0.00 0.00 175.17 175.16 1yws s GLU 6 N -3.87 0.58 0.29 8.23 2.12 -1.25 -0.50 118.70 124.30 1yws s GLU 6 Ca 0.21 1.45 0.11 0.00 0.36 0.00 0.00 54.97 57.09 1yws s GLU 6 Cb 0.05 0.85 -0.05 0.00 0.26 0.00 0.00 34.13 35.24 1yws s GLU 6 CO 0.02 -0.20 -0.16 0.42 -0.54 0.00 0.00 175.26 174.80 1yws s ILE 7 N 2.86 2.33 0.43 -3.70 1.09 -0.62 -4.92 121.20 118.66 1yws s ILE 7 Ca -0.06 -2.32 -0.23 0.00 -1.10 0.00 0.00 60.65 56.93 1yws s ILE 7 Cb -0.12 -2.39 -0.09 0.00 -1.06 0.00 0.00 42.46 38.80 1yws s ILE 7 CO -0.19 -0.35 1.07 -1.61 -0.10 0.00 0.00 174.94 173.76 1yws s GLU 8 N -3.56 4.01 0.53 2.79 2.02 -1.26 0.25 118.70 123.48 1yws s GLU 8 Ca 0.30 1.54 0.18 0.00 0.02 0.00 0.00 54.97 57.01 1yws s GLU 8 Cb -0.02 -2.43 1.32 0.00 0.10 0.00 0.00 34.13 33.09 1yws s GLU 8 CO 0.15 -0.28 2.14 0.97 0.02 0.00 0.00 175.26 178.26 1yws h ILE 9 N 2.01 0.94 0.00 -1.63 2.10 -0.96 -1.56 117.51 118.41 1yws h ILE 9 Ca -0.49 0.00 -0.08 0.00 1.08 0.00 0.00 64.86 65.38 1yws h ILE 9 Cb 1.22 0.97 -0.01 0.00 -1.09 0.00 0.00 36.82 37.91 1yws h ILE 9 CO 0.61 0.00 -0.36 1.05 -1.08 0.00 0.00 178.15 178.37 1yws h GLU 10 N 0.00 0.00 0.03 2.19 4.11 -1.92 -2.88 114.58 116.10 1yws h GLU 10 Ca 0.03 0.00 -0.22 0.00 0.07 0.00 0.00 59.36 59.24 1yws h GLU 10 Cb 0.11 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 1yws h GLU 10 CO -0.00 0.36 -1.02 0.22 0.07 0.00 0.00 179.01 178.64 1yws h ASP 11 N 0.00 0.10 -2.74 3.06 3.58 -1.67 -3.44 116.42 115.32 1yws h ASP 11 Ca -0.00 -0.11 -0.53 0.00 0.42 0.00 0.00 57.03 56.81 1yws h ASP 11 Cb 0.72 -0.03 0.04 0.00 1.72 0.00 0.00 39.33 41.78 1yws h ASP 11 CO 0.05 1.06 0.95 -0.04 -2.88 0.00 0.00 179.24 178.38 1yws s MET 12 N -2.77 4.19 -0.13 0.28 -1.94 -1.09 -4.93 119.30 112.90 1yws s MET 12 Ca -0.00 2.40 -0.29 0.00 -1.71 0.00 0.00 55.69 56.09 1yws s MET 12 Cb 0.10 -3.32 -0.03 0.00 2.01 0.00 0.00 34.83 33.59 1yws s MET 12 CO 0.83 -0.68 1.43 0.99 -0.01 0.00 0.00 175.02 177.58 1yws s THR 13 N 1.75 3.98 0.25 2.05 2.01 -0.92 -4.83 115.64 119.93 1yws s THR 13 Ca 0.73 1.17 -0.30 0.00 0.31 0.00 0.00 61.69 63.61 1yws s THR 13 Cb -0.43 -3.78 -0.09 0.00 0.01 0.00 0.00 72.50 68.20 1yws s THR 13 CO 0.32 -0.13 1.10 0.72 -0.69 0.00 0.00 174.62 175.94 1yws s PHE 14 N 3.86 3.58 -0.47 4.92 -0.71 -1.26 -0.12 117.98 127.78 1yws s PHE 14 Ca 0.63 1.67 0.03 0.00 -1.04 0.00 0.00 56.93 58.21 1yws s PHE 14 Cb -0.26 -3.29 0.14 0.00 -1.21 0.00 0.00 43.02 38.41 1yws s PHE 14 CO 0.21 -0.58 0.28 -2.00 -1.34 0.00 0.00 175.22 171.79 1yws s GLU 15 N -1.14 1.41 0.44 1.99 2.12 -0.05 -4.87 118.70 118.60 1yws s GLU 15 Ca 0.46 -2.20 0.10 0.00 0.36 0.00 0.00 54.97 53.69 1yws s GLU 15 Cb -0.31 -2.41 0.97 0.00 0.26 0.00 0.00 34.13 32.64 1yws s GLU 15 CO 0.39 -1.20 2.08 -1.00 -0.54 0.00 0.00 175.26 174.99 1yws h PRO 16 N 6.45 0.40 0.00 4.30 0.13 -1.88 -1.36 132.00 140.04 1yws h PRO 16 Ca 0.04 -0.02 -0.02 0.00 -0.87 0.00 0.00 66.00 65.12 1yws h PRO 16 Cb 0.90 -0.09 -0.00 0.00 0.13 0.00 0.00 31.00 31.94 1yws h PRO 16 CO 0.51 0.26 -0.11 0.93 -0.23 0.00 0.00 178.00 179.36 1yws h GLU 17 N 0.41 0.00 -0.13 0.86 5.08 -1.92 -1.88 114.58 117.00 1yws h GLU 17 Ca 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1yws h GLU 17 Cb -0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.23 1yws h GLU 17 CO -0.03 0.11 0.00 0.09 -1.00 0.00 0.00 179.01 178.19 1yws n ASN 18 N -4.22 2.19 -2.65 1.42 3.02 -0.94 -4.98 115.26 109.10 1yws n ASN 18 Ca -0.03 -1.67 -0.21 0.00 -0.03 0.00 0.00 54.58 52.64 1yws n ASN 18 Cb 0.19 -0.09 0.01 0.00 -0.61 0.00 0.00 39.78 39.28 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 0.37 -2.93 -3.92 3.52 3.00 -0.57 -4.96 117.38 111.89 1yws n GLN 19 Ca 0.07 0.94 -0.09 0.00 -0.01 0.00 0.00 57.00 57.91 1yws n GLN 19 Cb 0.29 -5.68 -0.08 0.00 0.00 0.00 0.00 30.24 24.77 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 -5.31 0.75 0.02 -1.09 0.23 -0.84 -3.88 119.30 109.18 1yws s MET 20 Ca 0.12 -0.97 -0.13 0.00 -1.03 0.00 0.00 55.69 53.68 1yws s MET 20 Cb -0.05 0.29 -0.06 0.00 -1.53 0.00 0.00 34.83 33.48 1yws s MET 20 CO 0.15 -0.21 0.39 -0.06 -2.03 0.00 0.00 175.02 173.26 1yws s PHE 21 N -3.63 3.67 0.00 3.16 0.08 -0.45 -0.87 117.98 119.94 1yws s PHE 21 Ca 0.04 0.90 0.01 0.00 0.12 0.00 0.00 56.93 58.00 1yws s PHE 21 Cb 0.04 -2.23 -0.01 0.00 -0.57 0.00 0.00 43.02 40.26 1yws s PHE 21 CO -0.10 0.60 -0.03 0.95 -0.10 0.00 0.00 175.22 176.54 1yws s THR 22 N -1.19 0.25 -0.16 0.64 -4.23 0.83 -1.34 115.64 110.45 1yws s THR 22 Ca 0.27 -0.27 0.00 0.00 -1.18 0.00 0.00 61.69 60.51 1yws s THR 22 Cb -0.15 -0.24 0.03 0.00 1.34 0.00 0.00 72.50 73.47 1yws s THR 22 CO 0.15 -0.01 -0.11 -0.47 -0.54 0.00 0.00 174.62 173.63 1yws s TYR 23 N -0.28 2.11 -0.29 3.99 5.04 0.38 -2.16 117.35 126.14 1yws s TYR 23 Ca -0.01 -1.26 -0.39 0.00 -2.44 0.00 0.00 57.07 52.96 1yws s TYR 23 Cb -0.03 -1.54 -0.15 0.00 0.35 0.00 0.00 41.96 40.60 1yws s TYR 23 CO -0.00 -0.67 1.82 -2.30 -1.34 0.00 0.00 175.55 173.06 1yws n PRO 24 N 4.78 1.16 -4.52 4.97 -0.02 -1.26 -1.04 135.00 139.06 1yws n PRO 24 Ca -0.15 0.41 -0.22 0.00 -2.02 0.00 0.00 63.50 61.52 1yws n PRO 24 Cb 0.49 -2.16 -0.16 0.00 -0.02 0.00 0.00 33.50 31.65 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 0.15 4.07 0.00 0.00 0.05 -1.26 -4.33 135.00 133.67 1yws s PRO 26 Ca -0.03 0.82 0.00 0.00 0.05 0.00 0.00 61.00 61.84 1yws s PRO 26 Cb -0.09 -3.70 0.00 0.00 0.05 0.00 0.00 34.50 30.76 1yws s PRO 26 CO 0.01 -0.65 0.00 0.00 0.05 0.00 0.00 177.00 176.41 1yws n GLY 28 N 0.00 0.37 3.30 0.00 0.00 -1.26 -4.93 105.19 102.67 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 0.23 1.61 -1.08 -1.26 -5.12 116.67 112.44 1yws s ASP 29 Ca 0.00 -1.62 0.12 0.00 -0.52 0.00 0.00 52.55 50.52 1yws s ASP 29 Cb 0.00 0.47 -0.05 0.00 -1.46 0.00 0.00 42.92 41.89 1yws s ASP 29 CO 0.00 -0.96 -0.22 0.00 0.52 0.00 0.00 175.17 174.50 1yws s ARG 30 N -3.71 1.58 0.01 4.34 1.70 -1.26 -4.06 118.95 117.55 1yws s ARG 30 Ca 0.38 -1.62 -0.33 0.00 -0.47 0.00 0.00 55.73 53.69 1yws s ARG 30 Cb 0.04 -1.81 -0.12 0.00 -0.57 0.00 0.00 34.95 32.49 1yws s ARG 30 CO 0.21 0.37 1.82 1.19 -1.08 0.00 0.00 175.30 177.81 1yws n PHE 31 N -0.08 2.38 -5.23 5.89 3.72 -0.21 -4.50 117.46 119.43 1yws n PHE 31 Ca -0.10 -0.01 -0.30 0.00 -0.05 0.00 0.00 57.45 56.99 1yws n PHE 31 Cb 0.58 -2.67 -0.16 0.00 -0.94 0.00 0.00 39.48 36.29 1yws n PHE 31 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 1yws s GLN 32 N 3.23 2.24 -0.11 -1.08 -0.21 0.63 -0.47 119.66 123.89 1yws s GLN 32 Ca 0.88 -0.88 -0.05 0.00 0.02 0.00 0.00 55.36 55.33 1yws s GLN 32 Cb -0.63 -2.02 0.05 0.00 1.00 0.00 0.00 33.01 31.41 1yws s GLN 32 CO 0.45 0.45 0.23 -1.50 -2.12 0.00 0.00 175.29 172.80 1yws s ILE 33 N -0.36 -0.20 0.29 1.08 2.07 -0.45 -1.20 121.20 122.43 1yws s ILE 33 Ca 0.03 0.23 -0.14 0.00 -1.41 0.00 0.00 60.65 59.36 1yws s ILE 33 Cb -0.12 -0.38 -0.08 0.00 0.13 0.00 0.00 42.46 42.01 1yws s ILE 33 CO 0.01 0.09 0.68 -0.31 -1.91 0.00 0.00 174.94 173.50 1yws s TYR 34 N 1.79 3.41 0.16 3.50 2.02 -1.26 -1.34 117.35 125.63 1yws s TYR 34 Ca -0.04 1.13 0.22 0.00 -0.37 0.00 0.00 57.07 58.01 1yws s TYR 34 Cb -0.11 -2.46 0.87 0.00 -0.40 0.00 0.00 41.96 39.86 1yws s TYR 34 CO -0.08 0.17 1.81 1.25 -1.57 0.00 0.00 175.55 177.13 1yws h LEU 35 N 2.44 0.00 -1.00 -1.29 5.85 -1.96 -2.07 115.31 117.30 1yws h LEU 35 Ca -0.48 0.00 0.12 0.00 0.84 0.00 0.00 57.88 58.36 1yws h LEU 35 Cb 1.17 0.00 -0.08 0.00 0.37 0.00 0.00 40.66 42.12 1yws h LEU 35 CO 0.66 0.26 0.62 0.44 -0.34 0.00 0.00 178.44 180.09 1yws h ASP 36 N 0.00 0.92 -0.25 1.25 5.19 -1.93 0.32 116.42 121.92 1yws h ASP 36 Ca -0.00 0.05 -0.08 0.00 -0.62 0.00 0.00 57.03 56.38 1yws h ASP 36 Cb 0.77 -0.13 -0.01 0.00 0.18 0.00 0.00 39.33 40.14 1yws h ASP 36 CO 0.03 0.49 -0.15 0.44 -3.12 0.00 0.00 179.24 176.93 1yws h ASP 37 N 0.98 0.56 -0.30 6.45 5.19 -1.69 -2.63 116.42 124.99 1yws h ASP 37 Ca 0.49 -0.43 -0.01 0.00 -0.62 0.00 0.00 57.03 56.46 1yws h ASP 37 Cb 0.49 -0.16 -0.01 0.00 0.18 0.00 0.00 39.33 39.83 1yws h ASP 37 CO -0.27 0.87 0.13 0.24 -3.12 0.00 0.00 179.24 177.09 1yws h MET 38 N 0.26 0.43 0.00 3.56 2.86 -1.10 -2.06 114.93 118.87 1yws h MET 38 Ca 0.05 -0.07 -0.03 0.00 -2.06 0.00 0.00 59.70 57.59 1yws h MET 38 Cb 0.67 -0.07 -0.00 0.00 0.06 0.00 0.00 31.60 32.25 1yws h MET 38 CO 0.04 0.43 -0.14 0.35 1.06 0.00 0.00 176.91 178.65 1yws h PHE 39 N 0.34 0.00 0.00 -0.22 3.57 -0.45 -1.17 116.94 119.00 1yws h PHE 39 Ca 0.10 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.58 1yws h PHE 39 Cb 0.14 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 38.88 1yws h PHE 39 CO -0.01 0.14 -0.07 1.49 -2.23 0.00 0.00 178.31 177.62 1yws h GLU 40 N 0.00 0.00 0.00 1.11 4.81 -0.99 -3.46 114.58 116.05 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 0.37 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.75 1yws h GLU 40 CO 0.02 0.07 0.00 0.41 -0.73 0.00 0.00 179.01 178.78 1yws n GLY 41 N -0.25 0.67 3.73 1.92 0.00 -0.44 -5.08 105.19 105.73 1yws n GLY 41 Ca -0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 1yws n GLY 41 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1yws s GLU 42 N -0.61 4.16 -0.32 1.61 2.56 -1.04 -5.03 118.70 120.02 1yws s GLU 42 Ca 0.00 -0.22 0.03 0.00 0.00 0.00 0.00 54.97 54.77 1yws s GLU 42 Cb 0.00 -3.40 0.09 0.00 2.00 0.00 0.00 34.13 32.82 1yws s GLU 42 CO 0.00 0.31 0.04 -1.59 -0.56 0.00 0.00 175.26 173.47 1yws s LYS 43 N 0.32 1.38 -0.29 4.30 -2.85 -1.26 -3.13 119.74 118.21 1yws s LYS 43 Ca 0.08 -1.63 -0.16 0.00 -1.00 0.00 0.00 55.97 53.26 1yws s LYS 43 Cb -0.11 -2.90 0.13 0.00 -2.06 0.00 0.00 37.83 32.89 1yws s LYS 43 CO -0.02 -0.91 0.91 0.54 0.10 0.00 0.00 175.35 175.98 1yws s VAL 44 N 1.09 -0.04 -0.09 1.79 0.11 -1.26 -2.69 120.40 119.31 1yws s VAL 44 Ca 0.08 0.00 -0.05 0.00 -2.93 0.00 0.00 61.98 59.08 1yws s VAL 44 Cb -0.19 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.62 1yws s VAL 44 CO -0.11 0.00 0.14 0.00 -3.33 0.00 0.00 175.10 171.79 1yws s ALA 45 N 1.48 3.84 -0.06 1.54 0.00 0.53 -4.78 121.76 124.31 1yws s ALA 45 Ca -0.09 -0.69 0.05 0.00 0.00 0.00 0.00 51.96 51.23 1yws s ALA 45 Cb -0.04 -1.89 -0.01 0.00 0.00 0.00 0.00 23.12 21.18 1yws s ALA 45 CO -0.16 0.65 -0.22 0.54 0.00 0.00 0.00 175.76 176.57 1yws s VAL 46 N -1.10 1.85 -0.19 0.00 0.11 -0.34 -1.91 120.40 118.82 1yws s VAL 46 Ca 0.18 -0.94 -0.07 0.00 -2.93 0.00 0.00 61.98 58.22 1yws s VAL 46 Cb -0.12 -1.58 -0.04 0.00 -1.53 0.00 0.00 36.38 33.12 1yws s VAL 46 CO 0.08 0.52 0.06 0.00 -3.33 0.00 0.00 175.10 172.42 1yws s PRO 48 N 0.58 3.80 0.00 0.00 0.04 -1.26 -1.67 135.00 136.49 1yws s PRO 48 Ca 0.03 0.81 0.00 0.00 0.04 0.00 0.00 61.00 61.88 1yws s PRO 48 Cb -0.13 -2.15 0.00 0.00 0.04 0.00 0.00 34.50 32.26 1yws s PRO 48 CO 0.01 -0.35 0.00 0.45 0.04 0.00 0.00 177.00 177.15 1yws n SER 49 N -1.98 0.00 0.01 6.66 2.88 -1.26 -4.16 113.62 115.77 1yws n SER 49 Ca 0.06 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.48 1yws n SER 49 Cb 0.54 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.86 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 -3.22 -5.26 -4.05 0.00 7.64 -0.67 -5.08 113.62 102.97 1yws n SER 51 Ca -0.16 0.17 -0.17 0.00 1.01 0.00 0.00 58.87 59.73 1yws n SER 51 Cb 1.03 -3.42 -0.14 0.00 -1.01 0.00 0.00 64.21 60.68 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 -2.34 2.11 -0.02 -3.43 2.96 -1.10 -4.95 118.68 111.91 1yws s LEU 52 Ca 0.09 -0.31 0.03 0.00 -0.22 0.00 0.00 54.13 53.71 1yws s LEU 52 Cb -0.02 -0.39 -0.00 0.00 0.50 0.00 0.00 46.19 46.27 1yws s LEU 52 CO 0.42 0.01 -0.09 -0.04 -1.32 0.00 0.00 176.35 175.33 1yws s MET 53 N -0.74 0.86 0.03 1.98 -1.94 -1.26 -0.69 119.30 117.53 1yws s MET 53 Ca -0.00 -0.33 -0.05 0.00 -1.71 0.00 0.00 55.69 53.60 1yws s MET 53 Cb -0.06 -0.82 -0.01 0.00 2.01 0.00 0.00 34.83 35.96 1yws s MET 53 CO 0.00 0.17 0.08 0.96 -0.01 0.00 0.00 175.02 176.23 1yws s ILE 54 N -0.05 0.12 0.61 2.53 -0.00 -0.80 -4.31 121.20 119.29 1yws s ILE 54 Ca 0.01 -0.97 -0.17 0.00 -0.00 0.00 0.00 60.65 59.52 1yws s ILE 54 Cb -0.06 -0.68 -0.03 0.00 -0.00 0.00 0.00 42.46 41.70 1yws s ILE 54 CO -0.00 -0.53 1.10 -1.81 -0.00 0.00 0.00 174.94 173.70 1yws s ASP 55 N -1.83 5.47 -0.13 4.36 1.11 0.34 -0.35 116.67 125.64 1yws s ASP 55 Ca -0.09 2.01 -0.02 0.00 0.18 0.00 0.00 52.55 54.63 1yws s ASP 55 Cb -0.04 -2.56 0.04 0.00 1.07 0.00 0.00 42.92 41.44 1yws s ASP 55 CO -0.02 -1.38 0.02 -0.69 1.18 0.00 0.00 175.17 174.28 1yws s VAL 56 N -2.18 0.40 -0.17 -1.27 1.01 -1.09 -1.59 120.40 115.50 1yws s VAL 56 Ca 0.68 -0.20 -0.29 0.00 0.00 0.00 0.00 61.98 62.16 1yws s VAL 56 Cb -0.20 -0.76 -0.03 0.00 0.00 0.00 0.00 36.38 35.39 1yws s VAL 56 CO 0.35 0.01 1.47 -0.69 0.00 0.00 0.00 175.10 176.24 1yws s VAL 57 N 1.94 3.91 0.34 2.92 1.01 0.14 -4.66 120.40 125.99 1yws s VAL 57 Ca 0.02 1.07 0.08 0.00 0.00 0.00 0.00 61.98 63.15 1yws s VAL 57 Cb -0.15 -3.79 -0.04 0.00 0.00 0.00 0.00 36.38 32.40 1yws s VAL 57 CO -0.07 -0.21 0.13 0.72 0.00 0.00 0.00 175.10 175.68 1yws s PHE 58 N 4.27 2.71 0.14 5.22 -0.71 -1.26 -0.29 117.98 128.05 1yws s PHE 58 Ca 0.65 -0.37 0.04 0.00 -1.04 0.00 0.00 56.93 56.21 1yws s PHE 58 Cb -0.25 -1.62 -0.04 0.00 -1.21 0.00 0.00 43.02 39.90 1yws s PHE 58 CO 0.24 0.35 -0.10 0.34 -1.34 0.00 0.00 175.22 174.71 1yws s ASP 59 N -3.84 1.75 0.19 1.98 2.15 -1.26 -5.01 116.67 112.63 1yws s ASP 59 Ca 0.37 -0.97 -0.12 0.00 0.43 0.00 0.00 52.55 52.26 1yws s ASP 59 Cb -0.03 -0.01 0.15 0.00 -0.30 0.00 0.00 42.92 42.73 1yws s ASP 59 CO 0.22 -0.31 1.83 0.11 -0.17 0.00 0.00 175.17 176.86 1yws h LYS 60 N 2.93 0.73 -0.02 4.34 6.56 -2.00 -1.05 116.57 128.07 1yws h LYS 60 Ca -0.37 -0.04 -0.23 0.00 -1.06 0.00 0.00 60.65 58.94 1yws h LYS 60 Cb 1.19 -0.17 0.01 0.00 -0.57 0.00 0.00 32.23 32.69 1yws h LYS 60 CO 0.61 0.49 -0.94 0.93 -2.06 0.00 0.00 179.45 178.47 1yws h GLU 61 N 0.76 0.53 -0.85 3.15 5.08 -1.99 -1.52 114.58 119.74 1yws h GLU 61 Ca 0.25 -0.54 -0.03 0.00 -1.00 0.00 0.00 59.36 58.04 1yws h GLU 61 Cb 0.01 0.15 -0.04 0.00 0.50 0.00 0.00 28.75 29.37 1yws h GLU 61 CO -0.10 1.17 0.43 -0.44 -1.00 0.00 0.00 179.01 179.07 1yws h ASP 62 N 0.31 1.10 -0.26 1.42 3.32 -1.92 -1.11 116.42 119.28 1yws h ASP 62 Ca -0.09 -0.12 -0.08 0.00 0.02 0.00 0.00 57.03 56.76 1yws h ASP 62 Cb 1.58 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 40.84 1yws h ASP 62 CO 0.17 0.91 -0.16 -0.07 -1.72 0.00 0.00 179.24 178.37 1yws h LEU 63 N 1.21 0.59 0.13 1.55 3.38 -1.14 -2.02 115.31 119.01 1yws h LEU 63 Ca 0.30 -0.43 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 1yws h LEU 63 Cb 0.09 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.67 1yws h LEU 63 CO -0.04 0.90 -0.06 0.00 0.09 0.00 0.00 178.44 179.32 1yws h ALA 64 N 0.72 -0.17 -0.11 1.53 0.00 -0.93 0.11 119.26 120.41 1yws h ALA 64 Ca 0.05 -0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.78 1yws h ALA 64 Cb 0.69 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 1yws h ALA 64 CO 0.05 -0.59 -0.53 0.93 0.00 0.00 0.00 179.25 179.11 1yws h GLU 65 N -0.19 0.31 -0.32 0.00 5.08 -1.29 -2.66 114.58 115.50 1yws h GLU 65 Ca -0.02 -0.19 -0.10 0.00 -1.00 0.00 0.00 59.36 58.06 1yws h GLU 65 Cb 0.15 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 1yws h GLU 65 CO 0.03 0.76 -0.21 -0.92 -1.00 0.00 0.00 179.01 177.67 1yws h TYR 66 N 0.24 0.67 -0.62 4.33 3.20 -1.15 -0.90 116.97 122.74 1yws h TYR 66 Ca 0.01 -0.14 0.11 0.00 3.14 0.00 0.00 58.73 61.85 1yws h TYR 66 Cb 1.01 -0.17 -0.08 0.00 1.54 0.00 0.00 36.73 39.04 1yws h TYR 66 CO 0.02 0.77 0.19 -0.92 -1.64 0.00 0.00 178.16 176.58 1yws h TYR 67 N 0.53 0.31 -0.17 -3.82 3.20 -0.44 0.45 116.97 117.04 1yws h TYR 67 Ca 0.08 0.03 -0.12 0.00 3.14 0.00 0.00 58.73 61.87 1yws h TYR 67 Cb 0.66 -0.04 0.00 0.00 1.54 0.00 0.00 36.73 38.89 1yws h TYR 67 CO 0.03 0.03 -0.35 1.49 -1.64 0.00 0.00 178.16 177.71 1yws h GLU 68 N 0.33 0.54 -0.08 1.82 4.81 -1.29 -0.82 114.58 119.90 1yws h GLU 68 Ca 0.32 -0.35 -0.17 0.00 -0.13 0.00 0.00 59.36 59.03 1yws h GLU 68 Cb 0.46 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.87 1yws h GLU 68 CO -0.37 0.96 -0.67 0.93 -0.73 0.00 0.00 179.01 179.14 1yws h GLU 69 N 0.19 0.34 0.00 1.92 4.39 -0.79 -3.00 114.58 117.63 1yws h GLU 69 Ca 0.00 -0.26 0.00 0.00 0.34 0.00 0.00 59.36 59.45 1yws h GLU 69 Cb 0.95 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.65 1yws h GLU 69 CO 0.08 0.89 -0.27 0.00 -1.16 0.00 0.00 179.01 178.55 1yws h ALA 70 N 1.04 0.85 -2.87 3.43 0.00 -0.18 -3.46 119.26 118.07 1yws h ALA 70 Ca -0.02 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1yws h ALA 70 Cb 1.22 0.00 0.02 0.00 0.00 0.00 0.00 17.79 19.03 1yws h ALA 70 CO 0.11 0.00 -0.11 0.41 0.00 0.00 0.00 179.25 179.66 1yws n GLY 71 N 1.22 0.47 3.97 0.00 0.00 -0.84 -4.61 105.19 105.40 1yws n GLY 71 Ca 0.04 -0.29 -0.23 0.00 0.00 0.00 0.00 46.02 45.54 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 -3.05 1.97 0.13 -0.61 1.01 -0.37 -5.02 121.20 115.25 1yws s ILE 72 Ca 0.03 -1.24 -0.10 0.00 0.00 0.00 0.00 60.65 59.33 1yws s ILE 72 Cb -0.00 -2.21 -0.06 0.00 0.01 0.00 0.00 42.46 40.20 1yws s ILE 72 CO 0.10 0.00 0.46 -1.00 0.00 0.00 0.00 174.94 174.50 1yws s HIS 73 N -2.70 3.55 0.10 3.97 3.76 -1.26 -4.86 115.29 117.85 1yws s HIS 73 Ca 0.48 0.85 -0.33 0.00 -0.15 0.00 0.00 55.06 55.91 1yws s HIS 73 Cb -0.04 -2.21 -0.12 0.00 1.11 0.00 0.00 32.58 31.31 1yws s HIS 73 CO 0.30 0.44 1.75 -0.35 -0.85 0.00 0.00 174.74 176.03 1yws n PRO 74 N 0.59 2.46 -1.82 8.40 -0.04 -1.26 -5.01 135.00 138.31 1yws n PRO 74 Ca -0.05 0.89 -0.29 0.00 -0.04 0.00 0.00 63.50 64.01 1yws n PRO 74 Cb 0.52 -2.73 0.08 0.00 -0.04 0.00 0.00 33.50 31.33 1yws n PRO 74 CO 0.00 0.00 0.00 -2.14 -0.04 0.00 0.00 175.50 173.32 1yws s PRO 75 N 2.25 2.21 0.37 0.54 0.02 -1.26 -5.04 135.00 134.09 1yws s PRO 75 Ca 0.82 0.31 -0.26 0.00 0.02 0.00 0.00 61.00 61.90 1yws s PRO 75 Cb -0.59 -1.96 -0.09 0.00 0.02 0.00 0.00 34.50 31.88 1yws s PRO 75 CO 0.40 -1.46 1.14 -1.83 -0.33 0.00 0.00 177.00 174.92 1yws s GLU 76 N -5.42 4.19 0.23 5.54 -1.05 -1.26 -4.91 118.70 116.03 1yws s GLU 76 Ca 0.61 1.79 -0.30 0.00 -0.15 0.00 0.00 54.97 56.92 1yws s GLU 76 Cb -0.12 -2.76 -0.15 0.00 -0.44 0.00 0.00 34.13 30.66 1yws s GLU 76 CO 0.51 -0.19 1.06 -2.30 0.95 0.00 0.00 175.26 175.29 1yws n PRO 77 N 0.28 1.20 -2.70 -4.83 -0.02 -1.26 -4.87 135.00 122.81 1yws n PRO 77 Ca 0.03 0.43 -0.43 0.00 -2.02 0.00 0.00 63.50 61.51 1yws n PRO 77 Cb 0.46 -1.83 -0.03 0.00 -0.02 0.00 0.00 33.50 32.08 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 -0.65 4.23 -0.37 4.25 -5.25 -1.26 -3.78 121.20 118.36 1yws s ILE 78 Ca 0.65 0.77 0.00 0.00 -0.99 0.00 0.00 60.65 61.09 1yws s ILE 78 Cb -0.78 -4.60 0.00 0.00 2.95 0.00 0.00 42.46 40.03 1yws s ILE 78 CO 0.56 -1.13 0.00 0.00 -1.79 0.00 0.00 174.94 172.58 1yws n ALA 79 N 7.84 -0.05 -2.75 2.27 0.00 -1.26 -4.93 120.51 121.63 1yws n ALA 79 Ca 0.07 0.06 -0.28 0.00 0.00 0.00 0.00 53.44 53.28 1yws n ALA 79 Cb 0.49 -1.35 -0.07 0.00 0.00 0.00 0.00 19.45 18.52 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 -1.16 3.46 0.19 0.00 0.00 -1.25 -5.08 121.76 117.92 1yws s ALA 80 Ca 0.00 -1.15 -0.30 0.00 0.00 0.00 0.00 51.96 50.51 1yws s ALA 80 Cb 0.00 -1.30 -0.09 0.00 0.00 0.00 0.00 23.12 21.73 1yws s ALA 80 CO 0.00 0.62 1.33 0.00 0.00 0.00 0.00 175.76 177.71 1yws s ALA 81 N -1.54 3.54 0.00 0.00 0.00 -1.26 -4.74 121.76 117.75 1yws s ALA 81 Ca 0.29 1.12 0.00 0.00 0.00 0.00 0.00 51.96 53.37 1yws s ALA 81 Cb -0.11 -3.49 0.00 0.00 0.00 0.00 0.00 23.12 19.52 1yws s ALA 81 CO 0.21 -0.56 0.40 0.00 0.00 0.00 0.00 175.76 175.82