#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 3.76 -0.05 7.83 1.04 -1.26 -5.09 113.70 119.93 1yws s SER 2 Ca 0.00 -0.96 -0.24 0.00 0.48 0.00 0.00 55.95 55.23 1yws s SER 2 Cb 0.00 -0.40 -0.04 0.00 0.10 0.00 0.00 66.02 65.68 1yws s SER 2 CO 0.00 0.03 0.72 0.42 0.98 0.00 0.00 173.24 175.39 1yws s THR 3 N -2.48 4.99 -0.09 2.02 -4.23 -1.26 -4.67 115.64 109.93 1yws s THR 3 Ca 0.30 1.50 0.15 0.00 -1.18 0.00 0.00 61.69 62.46 1yws s THR 3 Cb -0.05 -4.06 -0.20 0.00 1.34 0.00 0.00 72.50 69.52 1yws s THR 3 CO 0.16 0.27 0.62 0.00 -0.54 0.00 0.00 174.62 175.13 1yws n TYR 4 N 3.63 0.81 -4.31 3.99 9.36 -1.17 -4.91 117.16 124.56 1yws n TYR 4 Ca -0.01 0.28 -0.17 0.00 3.32 0.00 0.00 57.90 61.33 1yws n TYR 4 Cb 0.51 -1.10 -0.10 0.00 -0.63 0.00 0.00 39.34 38.02 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 -5.84 1.16 -0.24 2.98 -1.08 -1.26 -5.03 116.67 107.37 1yws s ASP 5 Ca -0.05 -1.45 -0.03 0.00 -0.52 0.00 0.00 52.55 50.50 1yws s ASP 5 Cb 0.08 0.28 0.13 0.00 -1.46 0.00 0.00 42.92 41.95 1yws s ASP 5 CO 0.82 -0.81 0.36 -0.70 0.52 0.00 0.00 175.17 175.37 1yws s GLU 6 N -3.97 0.33 0.24 4.34 2.12 -1.25 -0.01 118.70 120.50 1yws s GLU 6 Ca 0.37 0.49 0.09 0.00 0.36 0.00 0.00 54.97 56.28 1yws s GLU 6 Cb 0.07 -0.56 -0.04 0.00 0.26 0.00 0.00 34.13 33.85 1yws s GLU 6 CO 0.15 -0.65 -0.02 0.42 -0.54 0.00 0.00 175.26 174.62 1yws s ILE 7 N 2.52 3.43 0.65 -3.70 1.09 -1.06 -4.87 121.20 119.26 1yws s ILE 7 Ca 0.12 -1.79 -0.18 0.00 -1.10 0.00 0.00 60.65 57.70 1yws s ILE 7 Cb -0.15 -2.79 -0.01 0.00 -1.06 0.00 0.00 42.46 38.44 1yws s ILE 7 CO -0.16 -0.28 1.26 -1.61 -0.10 0.00 0.00 174.94 174.05 1yws s GLU 8 N -3.40 2.58 0.49 2.79 0.41 -1.26 -0.27 118.70 120.04 1yws s GLU 8 Ca 0.29 1.97 0.18 0.00 -0.41 0.00 0.00 54.97 57.01 1yws s GLU 8 Cb -0.07 -1.86 1.24 0.00 -1.78 0.00 0.00 34.13 31.65 1yws s GLU 8 CO 0.19 -1.55 2.08 0.97 -0.49 0.00 0.00 175.26 176.45 1yws h ILE 9 N 0.50 0.95 0.00 -1.63 2.10 -1.86 -2.28 117.51 115.28 1yws h ILE 9 Ca -0.50 -0.37 -0.03 0.00 1.08 0.00 0.00 64.86 65.03 1yws h ILE 9 Cb 1.32 1.21 -0.00 0.00 -1.09 0.00 0.00 36.82 38.26 1yws h ILE 9 CO 0.53 0.10 -0.16 -0.33 -1.08 0.00 0.00 178.15 177.21 1yws h GLU 10 N 0.00 0.00 0.10 2.19 5.08 -1.91 -2.85 114.58 117.19 1yws h GLU 10 Ca -0.00 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.10 1yws h GLU 10 Cb 0.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.45 1yws h GLU 10 CO 0.01 0.16 -1.16 -0.44 -1.00 0.00 0.00 179.01 176.58 1yws h ASP 11 N 0.00 0.40 -2.39 1.42 5.19 -1.78 -3.43 116.42 115.84 1yws h ASP 11 Ca -0.00 -0.41 -0.54 0.00 -0.62 0.00 0.00 57.03 55.46 1yws h ASP 11 Cb 0.28 -0.13 0.01 0.00 0.18 0.00 0.00 39.33 39.67 1yws h ASP 11 CO 0.02 1.29 1.24 -0.04 -3.12 0.00 0.00 179.24 178.63 1yws s MET 12 N -2.78 3.97 -0.43 3.56 -1.94 -1.08 -4.90 119.30 115.71 1yws s MET 12 Ca -0.04 2.38 -0.28 0.00 -1.71 0.00 0.00 55.69 56.04 1yws s MET 12 Cb 0.08 -4.15 -0.01 0.00 2.01 0.00 0.00 34.83 32.76 1yws s MET 12 CO 0.87 -1.14 1.63 0.99 -0.01 0.00 0.00 175.02 177.37 1yws s THR 13 N 5.02 3.64 0.23 2.05 2.01 -0.51 -4.70 115.64 123.37 1yws s THR 13 Ca 0.86 0.61 -0.30 0.00 0.31 0.00 0.00 61.69 63.17 1yws s THR 13 Cb -0.38 -3.97 -0.09 0.00 0.01 0.00 0.00 72.50 68.07 1yws s THR 13 CO 0.38 -0.70 1.11 0.72 -0.69 0.00 0.00 174.62 175.44 1yws s PHE 14 N 6.63 3.56 -0.37 4.92 -0.71 -1.26 -0.12 117.98 130.62 1yws s PHE 14 Ca 0.68 1.62 -0.01 0.00 -1.04 0.00 0.00 56.93 58.18 1yws s PHE 14 Cb -0.17 -3.30 0.10 0.00 -1.21 0.00 0.00 43.02 38.44 1yws s PHE 14 CO 0.30 -0.67 0.14 -1.21 -1.34 0.00 0.00 175.22 172.44 1yws s GLU 15 N -0.84 1.98 0.00 1.99 2.02 0.63 -4.90 118.70 119.59 1yws s GLU 15 Ca 0.48 -1.73 0.10 0.00 0.02 0.00 0.00 54.97 53.84 1yws s GLU 15 Cb -0.31 -3.43 0.43 0.00 0.10 0.00 0.00 34.13 30.92 1yws s GLU 15 CO 0.38 -0.96 1.29 -0.35 0.02 0.00 0.00 175.26 175.64 1yws n PRO 16 N 4.53 0.03 -0.03 0.39 -0.04 -1.26 -0.18 135.00 138.44 1yws n PRO 16 Ca -0.03 0.31 -0.19 0.00 -0.04 0.00 0.00 63.50 63.55 1yws n PRO 16 Cb 0.42 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.24 1yws n PRO 16 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1yws n GLU 17 N -1.46 0.72 0.00 0.54 1.02 -1.26 -4.29 120.64 115.91 1yws n GLU 17 Ca 0.03 0.23 0.13 0.00 -0.02 0.00 0.00 57.16 57.52 1yws n GLU 17 Cb 0.11 -1.66 0.39 0.00 -0.02 0.00 0.00 31.44 30.25 1yws n GLU 17 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1yws n ASN 18 N -3.35 0.86 -0.43 1.62 4.05 -0.62 -4.94 115.26 112.45 1yws n ASN 18 Ca -0.34 -0.73 -0.06 0.00 0.45 0.00 0.00 54.58 53.91 1yws n ASN 18 Cb 1.04 0.12 -0.02 0.00 1.23 0.00 0.00 39.78 42.14 1yws n ASN 18 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1yws n GLN 19 N -0.83 -0.51 -3.83 1.20 1.13 0.75 -4.95 117.38 110.34 1yws n GLN 19 Ca 0.11 0.64 -0.07 0.00 -1.94 0.00 0.00 57.00 55.74 1yws n GLN 19 Cb 0.34 -4.37 0.01 0.00 0.11 0.00 0.00 30.24 26.32 1yws n GLN 19 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1yws s MET 20 N -2.23 1.90 -0.15 -1.09 0.23 -1.09 -4.26 119.30 112.61 1yws s MET 20 Ca 0.00 -1.17 -0.14 0.00 -1.03 0.00 0.00 55.69 53.35 1yws s MET 20 Cb 0.00 0.57 -0.05 0.00 -1.53 0.00 0.00 34.83 33.82 1yws s MET 20 CO 0.00 -0.88 0.31 -0.06 -2.03 0.00 0.00 175.02 172.36 1yws s PHE 21 N -2.80 3.49 -0.02 3.16 0.40 -1.23 -0.27 117.98 120.71 1yws s PHE 21 Ca 0.15 0.64 0.04 0.00 -0.60 0.00 0.00 56.93 57.16 1yws s PHE 21 Cb -0.05 -2.34 -0.01 0.00 0.51 0.00 0.00 43.02 41.14 1yws s PHE 21 CO 0.09 0.28 -0.14 0.95 0.70 0.00 0.00 175.22 177.09 1yws s THR 22 N 0.33 1.12 -0.21 0.64 -4.23 0.83 -2.56 115.64 111.55 1yws s THR 22 Ca 0.18 -0.58 -0.05 0.00 -1.18 0.00 0.00 61.69 60.06 1yws s THR 22 Cb -0.13 -0.95 -0.02 0.00 1.34 0.00 0.00 72.50 72.74 1yws s THR 22 CO 0.05 0.32 -0.01 -0.47 -0.54 0.00 0.00 174.62 173.97 1yws s TYR 23 N -0.11 3.01 -0.11 3.99 6.14 0.42 -1.43 117.35 129.26 1yws s TYR 23 Ca 0.01 -0.63 -0.36 0.00 0.64 0.00 0.00 57.07 56.73 1yws s TYR 23 Cb -0.08 -2.10 -0.13 0.00 0.42 0.00 0.00 41.96 40.07 1yws s TYR 23 CO 0.00 -0.36 1.81 -2.30 0.64 0.00 0.00 175.55 175.34 1yws n PRO 24 N 4.50 1.90 -4.00 4.97 -0.02 -1.26 -0.86 135.00 140.24 1yws n PRO 24 Ca -0.17 0.70 -0.13 0.00 -2.02 0.00 0.00 63.50 61.87 1yws n PRO 24 Cb 0.51 -2.49 -0.14 0.00 -0.02 0.00 0.00 33.50 31.37 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 -0.21 3.88 0.00 0.00 0.04 -1.26 -4.60 135.00 132.84 1yws s PRO 26 Ca -0.01 -0.01 0.00 0.00 0.04 0.00 0.00 61.00 61.03 1yws s PRO 26 Cb -0.02 -3.71 0.00 0.00 0.04 0.00 0.00 34.50 30.81 1yws s PRO 26 CO -0.00 -0.41 0.00 0.00 0.04 0.00 0.00 177.00 176.63 1yws n GLY 28 N -0.76 0.21 3.32 0.00 0.00 -1.26 -4.87 105.19 101.83 1yws n GLY 28 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 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 1.18 0.13 1.61 -1.08 -1.26 -5.05 116.67 112.19 1yws s ASP 29 Ca 0.00 -1.61 0.08 0.00 -0.52 0.00 0.00 52.55 50.50 1yws s ASP 29 Cb 0.00 0.54 -0.04 0.00 -1.46 0.00 0.00 42.92 41.96 1yws s ASP 29 CO 0.00 -1.07 -0.11 0.00 0.52 0.00 0.00 175.17 174.51 1yws s ARG 30 N -3.53 2.04 -0.20 4.34 1.04 -1.26 -4.35 118.95 117.03 1yws s ARG 30 Ca 0.38 -1.12 -0.33 0.00 -1.04 0.00 0.00 55.73 53.62 1yws s ARG 30 Cb 0.03 -2.23 -0.10 0.00 -2.04 0.00 0.00 34.95 30.60 1yws s ARG 30 CO 0.23 0.48 2.05 1.19 -0.04 0.00 0.00 175.30 179.21 1yws n PHE 31 N 0.56 2.02 -5.10 5.89 3.72 -0.04 -4.61 117.46 119.90 1yws n PHE 31 Ca -0.13 0.06 -0.32 0.00 -0.05 0.00 0.00 57.45 57.01 1yws n PHE 31 Cb 0.53 -2.64 -0.15 0.00 -0.94 0.00 0.00 39.48 36.28 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 5.26 2.55 -0.02 -1.08 -2.07 0.46 -0.44 119.66 124.32 1yws s GLN 32 Ca 1.00 -0.82 -0.00 0.00 -1.82 0.00 0.00 55.36 53.72 1yws s GLN 32 Cb -0.67 -2.26 0.03 0.00 -1.09 0.00 0.00 33.01 29.02 1yws s GLN 32 CO 0.47 0.47 0.03 -1.50 -1.32 0.00 0.00 175.29 173.45 1yws s ILE 33 N -0.37 -0.03 0.14 3.63 2.07 -1.06 -1.27 121.20 124.32 1yws s ILE 33 Ca 0.03 0.22 -0.30 0.00 -1.41 0.00 0.00 60.65 59.19 1yws s ILE 33 Cb -0.12 -0.12 -0.07 0.00 0.13 0.00 0.00 42.46 42.28 1yws s ILE 33 CO 0.02 0.11 0.97 -0.31 -1.91 0.00 0.00 174.94 173.82 1yws s TYR 34 N 1.16 3.83 0.24 3.50 2.02 -1.26 -3.47 117.35 123.37 1yws s TYR 34 Ca -0.08 1.81 -0.02 0.00 -0.37 0.00 0.00 57.07 58.41 1yws s TYR 34 Cb -0.13 -3.06 0.29 0.00 -0.40 0.00 0.00 41.96 38.66 1yws s TYR 34 CO -0.03 0.19 1.69 1.25 -1.57 0.00 0.00 175.55 177.08 1yws h LEU 35 N 5.23 0.70 -1.37 -1.29 7.12 -1.96 -0.58 115.31 123.16 1yws h LEU 35 Ca -0.43 -0.22 -0.01 0.00 0.13 0.00 0.00 57.88 57.34 1yws h LEU 35 Cb 1.21 -0.19 -0.03 0.00 -0.53 0.00 0.00 40.66 41.12 1yws h LEU 35 CO 0.71 0.88 0.27 -0.78 -0.13 0.00 0.00 178.44 179.39 1yws h ASP 36 N 0.63 0.62 -0.29 1.25 3.58 -1.92 0.11 116.42 120.40 1yws h ASP 36 Ca 0.10 -0.04 -0.11 0.00 0.42 0.00 0.00 57.03 57.39 1yws h ASP 36 Cb 0.63 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 41.52 1yws h ASP 36 CO 0.04 0.51 -0.26 -0.78 -2.88 0.00 0.00 179.24 175.87 1yws h ASP 37 N 0.71 0.73 -0.45 2.28 3.58 -1.64 -2.17 116.42 119.45 1yws h ASP 37 Ca 0.18 -0.46 -0.08 0.00 0.42 0.00 0.00 57.03 57.09 1yws h ASP 37 Cb 0.03 -0.21 -0.02 0.00 1.72 0.00 0.00 39.33 40.85 1yws h ASP 37 CO -0.03 1.04 0.01 0.24 -2.88 0.00 0.00 179.24 177.62 1yws h MET 38 N 0.43 0.86 0.00 0.28 2.86 -0.59 -2.29 114.93 116.49 1yws h MET 38 Ca 0.05 -0.24 -0.03 0.00 -2.06 0.00 0.00 59.70 57.41 1yws h MET 38 Cb 0.82 -0.10 -0.00 0.00 0.06 0.00 0.00 31.60 32.38 1yws h MET 38 CO 0.07 0.86 -0.17 0.35 1.06 0.00 0.00 176.91 179.08 1yws h PHE 39 N 0.80 0.00 0.00 -0.22 3.57 -0.68 -1.03 116.94 119.39 1yws h PHE 39 Ca 0.15 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.65 1yws h PHE 39 Cb 0.47 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.21 1yws h PHE 39 CO 0.03 0.17 0.00 0.39 -2.23 0.00 0.00 178.31 176.66 1yws n GLU 40 N -3.40 0.12 0.00 1.11 -0.58 -0.83 -4.88 120.64 112.19 1yws n GLU 40 Ca -0.00 0.23 0.00 0.00 -0.42 0.00 0.00 57.16 56.96 1yws n GLU 40 Cb 0.36 -1.68 0.00 0.00 -0.57 0.00 0.00 31.44 29.55 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 0.71 0.65 3.83 0.62 0.00 -0.39 -5.09 105.19 105.52 1yws n GLY 41 Ca 0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.59 4.16 -0.31 1.61 2.56 -0.99 -5.00 118.70 120.14 1yws s GLU 42 Ca 0.00 0.81 -0.01 0.00 0.00 0.00 0.00 54.97 55.78 1yws s GLU 42 Cb 0.00 -2.67 0.13 0.00 2.00 0.00 0.00 34.13 33.59 1yws s GLU 42 CO 0.00 0.28 0.26 -1.59 -0.56 0.00 0.00 175.26 173.65 1yws s LYS 43 N -2.42 0.36 -0.29 4.30 -2.85 -1.26 -3.52 119.74 114.05 1yws s LYS 43 Ca 0.48 -0.46 -0.15 0.00 -1.00 0.00 0.00 55.97 54.84 1yws s LYS 43 Cb -0.14 -0.85 0.14 0.00 -2.06 0.00 0.00 37.83 34.93 1yws s LYS 43 CO 0.19 -1.07 0.92 0.54 0.10 0.00 0.00 175.35 176.04 1yws s VAL 44 N 2.04 -0.20 -0.19 1.79 0.11 -1.26 -2.89 120.40 119.79 1yws s VAL 44 Ca 0.11 0.00 -0.09 0.00 -2.93 0.00 0.00 61.98 59.07 1yws s VAL 44 Cb -0.15 -1.00 -0.05 0.00 -1.53 0.00 0.00 36.38 33.65 1yws s VAL 44 CO -0.26 0.00 0.12 0.00 -3.33 0.00 0.00 175.10 171.63 1yws s ALA 45 N 1.78 3.67 -0.07 1.54 0.00 0.11 -4.71 121.76 124.09 1yws s ALA 45 Ca -0.07 -0.69 0.02 0.00 0.00 0.00 0.00 51.96 51.21 1yws s ALA 45 Cb -0.05 -2.11 -0.03 0.00 0.00 0.00 0.00 23.12 20.93 1yws s ALA 45 CO -0.16 0.22 -0.10 0.54 0.00 0.00 0.00 175.76 176.25 1yws s VAL 46 N 0.20 3.45 -0.24 0.00 0.11 -0.40 -1.87 120.40 121.65 1yws s VAL 46 Ca 0.08 -0.57 -0.01 0.00 -2.93 0.00 0.00 61.98 58.55 1yws s VAL 46 Cb -0.11 -2.39 0.03 0.00 -1.53 0.00 0.00 36.38 32.37 1yws s VAL 46 CO -0.01 0.59 -0.08 0.00 -3.33 0.00 0.00 175.10 172.27 1yws s PRO 48 N 1.29 2.45 0.00 0.00 0.04 -1.26 -0.64 135.00 136.88 1yws s PRO 48 Ca -0.01 1.32 0.00 0.00 0.04 0.00 0.00 61.00 62.35 1yws s PRO 48 Cb -0.17 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.46 1yws s PRO 48 CO -0.05 -1.51 0.00 0.45 0.04 0.00 0.00 177.00 175.92 1yws n SER 49 N -3.00 0.00 -0.00 6.66 2.88 -1.26 -4.07 113.62 114.83 1yws n SER 49 Ca 0.10 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.59 1yws n SER 49 Cb 0.52 0.00 -0.12 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 -2.97 -3.25 -4.43 0.00 2.88 0.19 -5.05 113.62 101.00 1yws n SER 51 Ca -0.14 -0.37 -0.33 0.00 -1.33 0.00 0.00 58.87 56.70 1yws n SER 51 Cb 0.97 -3.10 -0.14 0.00 -0.75 0.00 0.00 64.21 61.19 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 -4.38 2.66 -0.01 2.46 0.20 -1.06 -4.93 118.68 113.61 1yws s LEU 52 Ca 0.12 -0.26 0.03 0.00 0.69 0.00 0.00 54.13 54.71 1yws s LEU 52 Cb -0.02 -1.55 -0.00 0.00 -0.43 0.00 0.00 46.19 44.19 1yws s LEU 52 CO 0.41 0.29 -0.09 -0.04 -0.29 0.00 0.00 176.35 176.63 1yws s MET 53 N -0.42 0.84 0.04 1.98 -1.94 -1.26 -0.58 119.30 117.96 1yws s MET 53 Ca 0.05 -0.32 -0.04 0.00 -1.71 0.00 0.00 55.69 53.67 1yws s MET 53 Cb -0.12 -0.80 -0.02 0.00 2.01 0.00 0.00 34.83 35.90 1yws s MET 53 CO 0.02 0.16 0.05 0.96 -0.01 0.00 0.00 175.02 176.20 1yws s ILE 54 N -0.04 0.16 0.61 2.53 -0.00 -0.78 -3.07 121.20 120.61 1yws s ILE 54 Ca 0.01 -1.30 -0.11 0.00 -0.00 0.00 0.00 60.65 59.25 1yws s ILE 54 Cb -0.06 -1.06 -0.04 0.00 -0.00 0.00 0.00 42.46 41.31 1yws s ILE 54 CO -0.00 -0.72 1.02 -1.81 -0.00 0.00 0.00 174.94 173.44 1yws s ASP 55 N -2.36 6.23 -0.01 4.36 1.01 0.99 0.10 116.67 126.98 1yws s ASP 55 Ca -0.02 1.41 0.01 0.00 0.71 0.00 0.00 52.55 54.66 1yws s ASP 55 Cb 0.01 -2.46 0.00 0.00 1.01 0.00 0.00 42.92 41.48 1yws s ASP 55 CO -0.06 -0.86 -0.04 0.54 0.21 0.00 0.00 175.17 174.95 1yws s VAL 56 N -3.16 0.37 0.33 -1.27 0.11 -1.14 -2.55 120.40 113.09 1yws s VAL 56 Ca 0.55 -0.17 -0.28 0.00 -2.93 0.00 0.00 61.98 59.15 1yws s VAL 56 Cb -0.11 -0.34 -0.09 0.00 -1.53 0.00 0.00 36.38 34.31 1yws s VAL 56 CO 0.54 0.12 1.15 -0.69 -3.33 0.00 0.00 175.10 172.88 1yws s VAL 57 N 0.09 3.29 0.06 2.04 1.01 0.62 -4.70 120.40 122.80 1yws s VAL 57 Ca -0.01 1.21 -0.13 0.00 0.00 0.00 0.00 61.98 63.05 1yws s VAL 57 Cb -0.04 -3.74 0.02 0.00 0.00 0.00 0.00 36.38 32.62 1yws s VAL 57 CO -0.00 0.23 0.30 0.72 0.00 0.00 0.00 175.10 176.34 1yws s PHE 58 N -1.27 -0.09 0.08 5.22 -0.71 -1.26 -2.65 117.98 117.31 1yws s PHE 58 Ca 0.50 -0.10 0.03 0.00 -1.04 0.00 0.00 56.93 56.32 1yws s PHE 58 Cb -0.32 0.10 -0.03 0.00 -1.21 0.00 0.00 43.02 41.55 1yws s PHE 58 CO 0.41 -0.53 -0.08 0.34 -1.34 0.00 0.00 175.22 174.02 1yws s ASP 59 N -2.22 1.17 0.34 1.98 -1.08 -1.26 -5.04 116.67 110.55 1yws s ASP 59 Ca -0.03 -0.81 0.04 0.00 -0.52 0.00 0.00 52.55 51.23 1yws s ASP 59 Cb 0.00 0.05 0.60 0.00 -1.46 0.00 0.00 42.92 42.11 1yws s ASP 59 CO -0.05 -0.32 1.88 0.11 0.52 0.00 0.00 175.17 177.31 1yws h LYS 60 N 3.61 0.55 -0.11 4.34 1.57 -1.98 -1.37 116.57 123.18 1yws h LYS 60 Ca -0.36 -0.11 -0.21 0.00 -1.87 0.00 0.00 60.65 58.09 1yws h LYS 60 Cb 1.18 -0.08 0.01 0.00 0.08 0.00 0.00 32.23 33.42 1yws h LYS 60 CO 0.54 0.56 -0.76 1.05 -0.57 0.00 0.00 179.45 180.27 1yws h GLU 61 N 0.53 0.71 -0.38 3.15 4.11 -1.98 0.54 114.58 121.26 1yws h GLU 61 Ca 0.12 -0.62 0.01 0.00 0.07 0.00 0.00 59.36 58.94 1yws h GLU 61 Cb 0.31 0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.67 1yws h GLU 61 CO 0.01 1.22 0.24 -0.44 0.07 0.00 0.00 179.01 180.11 1yws h ASP 62 N 0.41 0.39 -0.22 3.06 3.32 -1.92 -1.48 116.42 119.97 1yws h ASP 62 Ca -0.06 -0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.90 1yws h ASP 62 Cb 1.40 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 40.86 1yws h ASP 62 CO 0.15 0.28 -0.19 -0.07 -1.72 0.00 0.00 179.24 177.69 1yws h LEU 63 N 0.48 0.55 -0.34 1.55 3.38 -1.24 -2.00 115.31 117.69 1yws h LEU 63 Ca 0.15 -0.46 0.01 0.00 0.09 0.00 0.00 57.88 57.66 1yws h LEU 63 Cb -0.02 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 1yws h LEU 63 CO -0.06 0.90 0.22 0.00 0.09 0.00 0.00 178.44 179.60 1yws h ALA 64 N 0.67 0.43 -0.03 1.53 0.00 -0.77 0.35 119.26 121.43 1yws h ALA 64 Ca 0.04 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1yws h ALA 64 Cb 0.74 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 1yws h ALA 64 CO 0.05 -0.12 0.01 1.49 0.00 0.00 0.00 179.25 180.68 1yws h GLU 65 N 0.45 0.05 -0.42 0.00 4.81 -1.30 -2.90 114.58 115.27 1yws h GLU 65 Ca 0.13 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.32 1yws h GLU 65 Cb -0.04 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.31 1yws h GLU 65 CO -0.04 0.28 0.15 -0.92 -0.73 0.00 0.00 179.01 177.76 1yws h TYR 66 N -0.19 0.60 -0.65 0.92 3.20 -1.16 -0.07 116.97 119.62 1yws h TYR 66 Ca 0.01 -0.03 0.09 0.00 3.14 0.00 0.00 58.73 61.95 1yws h TYR 66 Cb 0.26 -0.19 -0.07 0.00 1.54 0.00 0.00 36.73 38.27 1yws h TYR 66 CO 0.01 0.48 0.28 -0.92 -1.64 0.00 0.00 178.16 176.38 1yws h TYR 67 N 0.59 0.50 0.03 -3.82 5.03 -0.12 0.29 116.97 119.47 1yws h TYR 67 Ca 0.14 0.03 -0.22 0.00 2.58 0.00 0.00 58.73 61.26 1yws h TYR 67 Cb 0.15 -0.13 -0.01 0.00 1.55 0.00 0.00 36.73 38.30 1yws h TYR 67 CO 0.01 0.15 -0.97 1.49 -1.32 0.00 0.00 178.16 177.52 1yws h GLU 68 N 0.49 0.26 -0.02 1.82 4.81 -1.15 -1.67 114.58 119.11 1yws h GLU 68 Ca 0.33 -0.31 -0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1yws h GLU 68 Cb 0.38 0.10 -0.00 0.00 0.63 0.00 0.00 28.75 29.85 1yws h GLU 68 CO -0.29 1.05 0.01 0.93 -0.73 0.00 0.00 179.01 179.98 1yws h GLU 69 N 0.13 0.03 0.00 1.92 5.08 -0.11 -2.72 114.58 118.92 1yws h GLU 69 Ca -0.07 -0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.22 1yws h GLU 69 Cb 1.63 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.86 1yws h GLU 69 CO 0.15 0.08 -0.30 0.00 -1.00 0.00 0.00 179.01 177.94 1yws h ALA 70 N 0.95 1.09 -0.19 3.43 0.00 -0.54 -3.47 119.26 120.53 1yws h ALA 70 Ca 0.01 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1yws h ALA 70 Cb 0.06 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1yws h ALA 70 CO -0.00 0.38 0.00 0.41 0.00 0.00 0.00 179.25 180.04 1yws n GLY 71 N -0.02 1.04 2.10 0.00 0.00 -0.94 -4.77 105.19 102.59 1yws n GLY 71 Ca -0.01 -0.47 -0.17 0.00 0.00 0.00 0.00 46.02 45.37 1yws n GLY 71 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1yws n ILE 72 N -2.29 0.00 -1.07 -0.61 5.41 -0.67 -5.02 119.36 115.11 1yws n ILE 72 Ca 0.00 -0.37 -0.30 0.00 1.00 0.00 0.00 62.75 63.08 1yws n ILE 72 Cb 0.29 -1.30 0.14 0.00 -0.71 0.00 0.00 39.64 38.05 1yws n ILE 72 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 176.55 175.55 1yws s HIS 73 N -2.31 2.18 -0.28 1.39 3.76 -1.26 -4.86 115.29 113.92 1yws s HIS 73 Ca 0.42 1.44 -0.37 0.00 -0.15 0.00 0.00 55.06 56.40 1yws s HIS 73 Cb -0.03 -3.15 -0.13 0.00 1.11 0.00 0.00 32.58 30.37 1yws s HIS 73 CO 0.31 -2.42 1.97 -2.30 -0.85 0.00 0.00 174.74 171.45 1yws n PRO 74 N -3.93 1.31 -1.86 8.40 -0.02 -1.26 -4.94 135.00 132.69 1yws n PRO 74 Ca 0.08 0.44 -0.31 0.00 -2.02 0.00 0.00 63.50 61.68 1yws n PRO 74 Cb 0.54 -2.35 0.02 0.00 -0.02 0.00 0.00 33.50 31.69 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 4.82 3.41 0.12 0.52 0.04 -1.26 -5.06 135.00 137.59 1yws s PRO 75 Ca 1.02 0.88 -0.15 0.00 0.04 0.00 0.00 61.00 62.80 1yws s PRO 75 Cb -0.92 -2.05 -0.07 0.00 0.04 0.00 0.00 34.50 31.50 1yws s PRO 75 CO 0.56 -0.72 0.53 -1.83 0.04 0.00 0.00 177.00 175.59 1yws s GLU 76 N -4.89 4.00 0.35 4.56 -1.05 -1.26 -5.05 118.70 115.36 1yws s GLU 76 Ca 0.57 0.50 -0.28 0.00 -0.15 0.00 0.00 54.97 55.61 1yws s GLU 76 Cb -0.12 -3.00 -0.11 0.00 -0.44 0.00 0.00 34.13 30.46 1yws s GLU 76 CO 0.50 0.52 1.45 -1.25 0.95 0.00 0.00 175.26 177.43 1yws s PRO 77 N -1.76 4.18 0.15 -4.83 0.04 -1.26 -5.02 135.00 126.49 1yws s PRO 77 Ca 0.35 2.48 0.08 0.00 0.04 0.00 0.00 61.00 63.94 1yws s PRO 77 Cb -0.16 -3.00 -0.04 0.00 0.04 0.00 0.00 34.50 31.34 1yws s PRO 77 CO 0.19 -0.46 -0.07 0.96 0.04 0.00 0.00 177.00 177.67 1yws s ILE 78 N -0.98 3.44 -0.54 0.56 -4.36 -1.26 -5.09 121.20 112.97 1yws s ILE 78 Ca 0.53 -1.43 -0.06 0.00 -0.26 0.00 0.00 60.65 59.43 1yws s ILE 78 Cb -0.45 -2.68 0.14 0.00 1.25 0.00 0.00 42.46 40.73 1yws s ILE 78 CO 0.59 -0.03 0.38 0.00 0.24 0.00 0.00 174.94 176.12 1yws s ALA 79 N -1.53 3.46 0.00 2.27 0.00 -1.26 -4.79 121.76 119.90 1yws s ALA 79 Ca 0.24 -2.87 0.00 0.00 0.00 0.00 0.00 51.96 49.34 1yws s ALA 79 Cb -0.10 -2.71 0.00 0.00 0.00 0.00 0.00 23.12 20.31 1yws s ALA 79 CO 0.16 -1.98 0.20 0.00 0.00 0.00 0.00 175.76 174.13 1yws n ALA 80 N 4.22 1.29 0.00 0.00 0.00 -1.26 -4.92 120.51 119.85 1yws n ALA 80 Ca 0.01 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1yws n ALA 80 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.85 1yws n ALA 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1yws n ALA 81 N -0.16 0.23 -0.55 0.00 0.00 -1.26 -5.15 120.51 113.63 1yws n ALA 81 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1yws n ALA 81 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.53 1yws n ALA 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50