#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 5.68 -0.65 7.83 0.01 -1.26 -5.06 113.70 120.24 1yws s SER 2 Ca 0.00 0.04 -0.24 0.00 1.31 0.00 0.00 55.95 57.06 1yws s SER 2 Cb 0.00 -1.57 0.06 0.00 0.21 0.00 0.00 66.02 64.72 1yws s SER 2 CO 0.00 0.17 1.03 0.42 0.41 0.00 0.00 173.24 175.27 1yws s THR 3 N -1.40 4.21 0.12 1.44 -4.23 -1.26 -4.77 115.64 109.75 1yws s THR 3 Ca 0.30 -0.07 0.16 0.00 -1.18 0.00 0.00 61.69 60.90 1yws s THR 3 Cb -0.12 -4.71 0.07 0.00 1.34 0.00 0.00 72.50 69.08 1yws s THR 3 CO 0.23 -1.47 1.62 0.22 -0.54 0.00 0.00 174.62 174.68 1yws h TYR 4 N 9.61 0.00 -3.04 3.99 5.03 -1.98 -3.45 116.97 127.14 1yws h TYR 4 Ca -0.28 0.00 -0.43 0.00 2.58 0.00 0.00 58.73 60.60 1yws h TYR 4 Cb 1.07 0.00 -0.14 0.00 1.55 0.00 0.00 36.73 39.21 1yws h TYR 4 CO 0.99 0.49 -0.66 -0.51 -1.32 0.00 0.00 178.16 177.15 1yws s ASP 5 N -6.52 2.20 -0.17 -2.11 1.01 -1.26 -5.05 116.67 104.77 1yws s ASP 5 Ca 0.01 -1.22 -0.05 0.00 0.71 0.00 0.00 52.55 52.00 1yws s ASP 5 Cb 0.10 -0.06 0.09 0.00 1.01 0.00 0.00 42.92 44.06 1yws s ASP 5 CO 0.72 -0.46 0.31 -0.70 0.21 0.00 0.00 175.17 175.25 1yws s GLU 6 N -3.82 0.22 0.10 8.23 2.12 -1.25 -0.52 118.70 123.79 1yws s GLU 6 Ca 0.29 0.69 0.07 0.00 0.36 0.00 0.00 54.97 56.38 1yws s GLU 6 Cb 0.05 -0.21 -0.04 0.00 0.26 0.00 0.00 34.13 34.19 1yws s GLU 6 CO 0.10 -0.40 -0.11 0.42 -0.54 0.00 0.00 175.26 174.73 1yws s ILE 7 N 2.47 3.29 0.42 -3.70 1.09 -0.55 -4.83 121.20 119.39 1yws s ILE 7 Ca 0.03 -1.29 -0.25 0.00 -1.10 0.00 0.00 60.65 58.05 1yws s ILE 7 Cb -0.13 -2.53 -0.08 0.00 -1.06 0.00 0.00 42.46 38.66 1yws s ILE 7 CO -0.11 0.12 1.23 -1.61 -0.10 0.00 0.00 174.94 174.47 1yws s GLU 8 N -2.16 3.89 0.55 2.79 2.02 -1.26 0.33 118.70 124.85 1yws s GLU 8 Ca 0.21 1.97 0.23 0.00 0.02 0.00 0.00 54.97 57.40 1yws s GLU 8 Cb -0.11 -2.62 1.45 0.00 0.10 0.00 0.00 34.13 32.95 1yws s GLU 8 CO 0.13 -0.50 2.10 0.97 0.02 0.00 0.00 175.26 177.98 1yws h ILE 9 N 2.22 0.75 -0.14 -1.63 2.10 -0.46 -0.50 117.51 119.85 1yws h ILE 9 Ca -0.49 0.00 -0.16 0.00 1.08 0.00 0.00 64.86 65.29 1yws h ILE 9 Cb 1.25 0.88 -0.01 0.00 -1.09 0.00 0.00 36.82 37.85 1yws h ILE 9 CO 0.62 0.00 -0.59 -0.33 -1.08 0.00 0.00 178.15 176.77 1yws h GLU 10 N 0.00 0.45 0.06 2.19 5.08 -1.91 -3.20 114.58 117.25 1yws h GLU 10 Ca 0.10 -0.30 -0.27 0.00 -1.00 0.00 0.00 59.36 57.89 1yws h GLU 10 Cb 0.43 0.04 0.02 0.00 0.50 0.00 0.00 28.75 29.75 1yws h GLU 10 CO -0.00 0.91 -1.08 0.22 -1.00 0.00 0.00 179.01 178.06 1yws h ASP 11 N 0.34 0.86 -2.19 1.42 1.82 -1.52 -3.44 116.42 113.70 1yws h ASP 11 Ca -0.00 -0.78 -0.63 0.00 -0.39 0.00 0.00 57.03 55.23 1yws h ASP 11 Cb 1.12 -0.27 0.09 0.00 0.68 0.00 0.00 39.33 40.96 1yws h ASP 11 CO 0.10 1.54 0.20 0.23 -1.61 0.00 0.00 179.24 179.70 1yws n MET 12 N -3.87 1.26 -2.56 0.28 2.81 -0.38 -4.87 117.12 109.79 1yws n MET 12 Ca -0.12 0.45 -0.42 0.00 -1.81 0.00 0.00 57.70 55.79 1yws n MET 12 Cb 0.91 -1.88 -0.02 0.00 -0.71 0.00 0.00 33.22 31.52 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 -0.60 4.03 0.01 2.03 2.01 0.81 -4.88 115.64 119.04 1yws s THR 13 Ca 0.66 0.95 -0.30 0.00 0.31 0.00 0.00 61.69 63.30 1yws s THR 13 Cb -0.77 -4.67 -0.04 0.00 0.01 0.00 0.00 72.50 67.02 1yws s THR 13 CO 0.56 -1.26 1.17 0.72 -0.69 0.00 0.00 174.62 175.12 1yws s PHE 14 N 4.96 3.38 -0.59 4.92 -0.71 -1.26 -0.13 117.98 128.56 1yws s PHE 14 Ca 0.45 1.33 0.02 0.00 -1.04 0.00 0.00 56.93 57.69 1yws s PHE 14 Cb -0.08 -3.38 0.15 0.00 -1.21 0.00 0.00 43.02 38.50 1yws s PHE 14 CO 0.27 -1.10 0.36 -2.00 -1.34 0.00 0.00 175.22 171.40 1yws s GLU 15 N 1.49 2.24 0.52 1.99 2.56 0.53 -4.93 118.70 123.10 1yws s GLU 15 Ca 0.57 -2.76 0.25 0.00 0.00 0.00 0.00 54.97 53.03 1yws s GLU 15 Cb -0.26 -3.45 1.43 0.00 2.00 0.00 0.00 34.13 33.85 1yws s GLU 15 CO 0.26 -1.16 2.09 -1.00 -0.56 0.00 0.00 175.26 174.90 1yws h PRO 16 N 6.40 0.00 0.00 4.30 0.13 -1.91 -1.19 132.00 139.72 1yws h PRO 16 Ca -0.02 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.06 1yws h PRO 16 Cb 0.88 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.00 1yws h PRO 16 CO 0.71 0.11 -0.25 0.93 -0.23 0.00 0.00 178.00 179.27 1yws h GLU 17 N 0.00 0.00 -0.20 0.86 4.39 -1.91 -2.39 114.58 115.33 1yws h GLU 17 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1yws h GLU 17 Cb 0.26 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.91 1yws h GLU 17 CO 0.01 0.25 0.00 0.09 -1.16 0.00 0.00 179.01 178.20 1yws n ASN 18 N -4.19 2.49 -3.45 1.42 3.02 -0.67 -4.99 115.26 108.90 1yws n ASN 18 Ca -0.02 -1.75 -0.24 0.00 -0.03 0.00 0.00 54.58 52.53 1yws n ASN 18 Cb 0.30 -0.13 0.06 0.00 -0.61 0.00 0.00 39.78 39.40 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 0.61 -6.62 -3.83 3.52 3.00 -0.54 -4.96 117.38 108.56 1yws n GLN 19 Ca 0.10 0.82 -0.08 0.00 -0.01 0.00 0.00 57.00 57.83 1yws n GLN 19 Cb 0.37 -5.79 0.00 0.00 0.00 0.00 0.00 30.24 24.82 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 -6.15 1.99 -0.07 -1.09 0.23 -0.88 -4.67 119.30 108.65 1yws s MET 20 Ca 0.50 -1.20 -0.00 0.00 -1.03 0.00 0.00 55.69 53.96 1yws s MET 20 Cb -0.23 0.61 -0.03 0.00 -1.53 0.00 0.00 34.83 33.65 1yws s MET 20 CO 0.62 -0.92 -0.02 -0.06 -2.03 0.00 0.00 175.02 172.60 1yws s PHE 21 N -3.04 3.07 0.23 3.16 0.08 -1.19 -0.35 117.98 119.93 1yws s PHE 21 Ca 0.14 0.12 0.01 0.00 0.12 0.00 0.00 56.93 57.31 1yws s PHE 21 Cb -0.05 -1.74 -0.05 0.00 -0.57 0.00 0.00 43.02 40.61 1yws s PHE 21 CO 0.09 0.42 0.09 0.95 -0.10 0.00 0.00 175.22 176.67 1yws s THR 22 N -0.88 0.40 -0.05 0.64 -4.23 0.82 -1.96 115.64 110.38 1yws s THR 22 Ca 0.14 -1.99 -0.02 0.00 -1.18 0.00 0.00 61.69 58.63 1yws s THR 22 Cb -0.11 -2.52 0.03 0.00 1.34 0.00 0.00 72.50 71.24 1yws s THR 22 CO 0.03 -0.07 0.09 -0.47 -0.54 0.00 0.00 174.62 173.66 1yws s TYR 23 N -3.87 -0.01 -0.21 3.99 5.04 -0.14 -0.14 117.35 122.01 1yws s TYR 23 Ca 0.36 0.36 -0.35 0.00 -2.44 0.00 0.00 57.07 55.00 1yws s TYR 23 Cb 0.07 -0.41 -0.12 0.00 0.35 0.00 0.00 41.96 41.86 1yws s TYR 23 CO 0.12 -0.21 1.98 -2.30 -1.34 0.00 0.00 175.55 173.80 1yws n PRO 24 N 5.26 1.66 -4.56 4.97 -0.02 -1.26 -1.17 135.00 139.88 1yws n PRO 24 Ca -0.05 0.56 -0.21 0.00 -2.02 0.00 0.00 63.50 61.78 1yws n PRO 24 Cb 0.50 -2.55 -0.15 0.00 -0.02 0.00 0.00 33.50 31.28 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 -0.19 3.91 0.00 0.00 0.04 -1.26 -4.50 135.00 132.99 1yws s PRO 26 Ca 0.03 0.22 0.00 0.00 0.04 0.00 0.00 61.00 61.29 1yws s PRO 26 Cb -0.06 -3.72 0.00 0.00 0.04 0.00 0.00 34.50 30.77 1yws s PRO 26 CO -0.00 -0.50 0.00 0.00 0.04 0.00 0.00 177.00 176.53 1yws n GLY 28 N 0.00 0.24 3.33 0.00 0.00 -1.26 -4.87 105.19 102.63 1yws n GLY 28 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 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 0.93 0.20 1.61 -1.08 -1.26 -5.05 116.67 112.02 1yws s ASP 29 Ca 0.00 -1.53 0.09 0.00 -0.52 0.00 0.00 52.55 50.59 1yws s ASP 29 Cb 0.00 0.53 -0.04 0.00 -1.46 0.00 0.00 42.92 41.95 1yws s ASP 29 CO 0.00 -1.06 -0.09 0.00 0.52 0.00 0.00 175.17 174.54 1yws s ARG 30 N -3.60 2.07 0.09 4.34 1.70 -1.26 -4.27 118.95 118.02 1yws s ARG 30 Ca 0.37 -1.32 -0.34 0.00 -0.47 0.00 0.00 55.73 53.96 1yws s ARG 30 Cb 0.03 -2.13 -0.14 0.00 -0.57 0.00 0.00 34.95 32.14 1yws s ARG 30 CO 0.20 0.42 1.63 1.19 -1.08 0.00 0.00 175.30 177.65 1yws n PHE 31 N -0.13 2.22 -4.97 5.89 3.72 -0.32 -4.42 117.46 119.46 1yws n PHE 31 Ca -0.10 0.25 -0.27 0.00 -0.05 0.00 0.00 57.45 57.28 1yws n PHE 31 Cb 0.56 -2.55 -0.16 0.00 -0.94 0.00 0.00 39.48 36.39 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 1.59 1.79 -0.01 -1.08 -2.07 0.71 -0.97 119.66 119.62 1yws s GLN 32 Ca 0.83 -0.70 -0.01 0.00 -1.82 0.00 0.00 55.36 53.65 1yws s GLN 32 Cb -0.71 -1.63 0.00 0.00 -1.09 0.00 0.00 33.01 29.58 1yws s GLN 32 CO 0.42 0.36 0.02 -1.50 -1.32 0.00 0.00 175.29 173.28 1yws s ILE 33 N -0.27 0.00 -0.14 3.63 2.07 -0.83 -1.67 121.20 124.00 1yws s ILE 33 Ca 0.03 -0.03 -0.06 0.00 -1.41 0.00 0.00 60.65 59.18 1yws s ILE 33 Cb -0.10 -0.05 -0.04 0.00 0.13 0.00 0.00 42.46 42.40 1yws s ILE 33 CO 0.01 -0.01 0.07 -0.31 -1.91 0.00 0.00 174.94 172.79 1yws s TYR 34 N -0.03 3.35 0.39 3.50 2.02 -1.26 -3.18 117.35 122.14 1yws s TYR 34 Ca -0.00 0.27 0.09 0.00 -0.37 0.00 0.00 57.07 57.06 1yws s TYR 34 Cb -0.00 -1.95 0.85 0.00 -0.40 0.00 0.00 41.96 40.46 1yws s TYR 34 CO 0.00 0.45 1.95 -0.07 -1.57 0.00 0.00 175.55 176.31 1yws h LEU 35 N 5.68 0.56 -0.16 -1.29 -0.00 -1.98 -2.17 115.31 115.97 1yws h LEU 35 Ca -0.47 0.01 0.05 0.00 -0.00 0.00 0.00 57.88 57.47 1yws h LEU 35 Cb 1.19 -0.11 -0.05 0.00 -0.00 0.00 0.00 40.66 41.70 1yws h LEU 35 CO 0.62 0.34 -0.15 -0.78 -0.00 0.00 0.00 178.44 178.47 1yws h ASP 36 N 0.63 -0.47 0.83 -0.43 1.82 -1.95 0.62 116.42 117.46 1yws h ASP 36 Ca 0.33 0.09 -0.16 0.00 -0.39 0.00 0.00 57.03 56.90 1yws h ASP 36 Cb 0.44 0.23 -0.02 0.00 0.68 0.00 0.00 39.33 40.66 1yws h ASP 36 CO -0.11 -0.19 -0.77 -0.78 -1.61 0.00 0.00 179.24 175.78 1yws h ASP 37 N -0.17 0.00 -0.60 2.28 3.58 -1.77 -2.46 116.42 117.27 1yws h ASP 37 Ca 0.10 0.00 -0.09 0.00 0.42 0.00 0.00 57.03 57.46 1yws h ASP 37 Cb 0.32 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.35 1yws h ASP 37 CO -0.26 0.77 0.03 0.24 -2.88 0.00 0.00 179.24 177.14 1yws h MET 38 N 0.00 1.06 0.00 0.28 2.86 -1.01 -2.19 114.93 115.93 1yws h MET 38 Ca -0.01 -0.31 -0.04 0.00 -2.06 0.00 0.00 59.70 57.28 1yws h MET 38 Cb 1.39 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.94 1yws h MET 38 CO 0.10 1.01 -0.17 0.35 1.06 0.00 0.00 176.91 179.26 1yws h PHE 39 N 0.98 0.00 0.00 -0.22 3.57 -0.65 -1.41 116.94 119.20 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 0.51 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.25 1yws h PHE 39 CO 0.04 0.17 0.00 0.93 -2.23 0.00 0.00 178.31 177.22 1yws h GLU 40 N 0.00 0.00 0.00 1.11 4.39 -0.94 -3.46 114.58 115.68 1yws h GLU 40 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1yws h GLU 40 Cb 0.62 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.27 1yws h GLU 40 CO 0.02 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 178.28 1yws n GLY 41 N 0.44 0.77 3.49 -3.84 0.00 -0.53 -5.06 105.19 100.46 1yws n GLY 41 Ca 0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.61 3.18 -0.43 1.61 2.02 -0.97 -5.00 118.70 118.50 1yws s GLU 42 Ca 0.00 -0.62 -0.08 0.00 0.02 0.00 0.00 54.97 54.29 1yws s GLU 42 Cb 0.00 -3.99 0.10 0.00 0.10 0.00 0.00 34.13 30.34 1yws s GLU 42 CO 0.00 -1.00 0.27 -1.59 0.02 0.00 0.00 175.26 172.96 1yws s LYS 43 N 2.54 2.46 -0.29 1.61 0.00 -1.26 -3.59 119.74 121.22 1yws s LYS 43 Ca 0.17 -1.62 -0.16 0.00 0.00 0.00 0.00 55.97 54.36 1yws s LYS 43 Cb -0.16 -3.78 0.11 0.00 0.00 0.00 0.00 37.83 34.00 1yws s LYS 43 CO 0.16 -1.05 0.82 0.54 0.00 0.00 0.00 175.35 175.82 1yws s VAL 44 N 1.35 -0.05 -0.05 1.79 0.11 -1.26 -2.59 120.40 119.70 1yws s VAL 44 Ca 0.05 0.00 -0.04 0.00 -2.93 0.00 0.00 61.98 59.06 1yws s VAL 44 Cb -0.24 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.57 1yws s VAL 44 CO -0.00 0.00 0.14 0.00 -3.33 0.00 0.00 175.10 171.91 1yws s ALA 45 N 1.58 3.82 -0.02 1.54 0.00 0.54 -4.82 121.76 124.39 1yws s ALA 45 Ca -0.09 -0.74 0.08 0.00 0.00 0.00 0.00 51.96 51.20 1yws s ALA 45 Cb -0.05 -1.83 -0.02 0.00 0.00 0.00 0.00 23.12 21.22 1yws s ALA 45 CO -0.18 0.68 -0.26 0.54 0.00 0.00 0.00 175.76 176.55 1yws s VAL 46 N -1.17 2.04 -0.21 0.00 0.11 -0.67 -1.62 120.40 118.87 1yws s VAL 46 Ca 0.21 -1.10 -0.06 0.00 -2.93 0.00 0.00 61.98 58.11 1yws s VAL 46 Cb -0.12 -1.70 -0.03 0.00 -1.53 0.00 0.00 36.38 33.00 1yws s VAL 46 CO 0.12 0.58 0.02 0.00 -3.33 0.00 0.00 175.10 172.48 1yws s PRO 48 N 1.08 3.20 0.00 0.00 0.04 -1.26 -1.06 135.00 137.00 1yws s PRO 48 Ca 0.03 1.09 0.00 0.00 0.04 0.00 0.00 61.00 62.16 1yws s PRO 48 Cb -0.14 -2.02 0.00 0.00 0.04 0.00 0.00 34.50 32.38 1yws s PRO 48 CO 0.02 -0.90 0.00 0.45 0.04 0.00 0.00 177.00 176.61 1yws n SER 49 N -2.45 0.00 -0.02 6.66 2.88 -1.26 -4.10 113.62 115.32 1yws n SER 49 Ca 0.08 0.00 -0.07 0.00 -1.33 0.00 0.00 58.87 57.55 1yws n SER 49 Cb 0.53 0.00 -0.13 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 -2.97 -5.80 -4.29 0.00 2.88 -0.23 -5.07 113.62 98.15 1yws n SER 51 Ca -0.18 -0.04 -0.23 0.00 -1.33 0.00 0.00 58.87 57.09 1yws n SER 51 Cb 1.02 -3.83 -0.12 0.00 -0.75 0.00 0.00 64.21 60.54 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 -3.29 2.33 -0.01 2.46 2.96 -1.10 -4.93 118.68 117.10 1yws s LEU 52 Ca 0.00 -0.73 0.02 0.00 -0.22 0.00 0.00 54.13 53.21 1yws s LEU 52 Cb -0.00 -0.84 -0.00 0.00 0.50 0.00 0.00 46.19 45.85 1yws s LEU 52 CO 0.49 0.02 -0.07 -0.04 -1.32 0.00 0.00 176.35 175.43 1yws s MET 53 N -2.12 0.65 0.03 1.98 -1.94 -1.26 -0.26 119.30 116.38 1yws s MET 53 Ca 0.08 -0.24 -0.04 0.00 -1.71 0.00 0.00 55.69 53.78 1yws s MET 53 Cb -0.09 -0.63 -0.02 0.00 2.01 0.00 0.00 34.83 36.11 1yws s MET 53 CO 0.05 0.12 0.06 0.96 -0.01 0.00 0.00 175.02 176.20 1yws s ILE 54 N 0.01 0.14 0.63 2.53 -0.00 -0.64 -4.00 121.20 119.86 1yws s ILE 54 Ca 0.00 -1.13 -0.13 0.00 -0.00 0.00 0.00 60.65 59.40 1yws s ILE 54 Cb -0.05 -0.84 -0.03 0.00 -0.00 0.00 0.00 42.46 41.54 1yws s ILE 54 CO -0.00 -0.62 1.04 -1.81 -0.00 0.00 0.00 174.94 173.54 1yws s ASP 55 N -2.08 5.88 -0.07 4.36 1.11 0.33 -0.34 116.67 125.86 1yws s ASP 55 Ca -0.06 1.59 0.00 0.00 0.18 0.00 0.00 52.55 54.26 1yws s ASP 55 Cb -0.02 -2.50 0.02 0.00 1.07 0.00 0.00 42.92 41.50 1yws s ASP 55 CO -0.04 -1.10 -0.05 -0.69 1.18 0.00 0.00 175.17 174.46 1yws s VAL 56 N -2.92 0.69 -0.06 -1.27 1.01 -1.07 -1.48 120.40 115.30 1yws s VAL 56 Ca 0.58 -0.15 -0.30 0.00 0.00 0.00 0.00 61.98 62.11 1yws s VAL 56 Cb -0.13 -0.73 -0.03 0.00 0.00 0.00 0.00 36.38 35.50 1yws s VAL 56 CO 0.48 0.28 1.09 -0.69 0.00 0.00 0.00 175.10 176.27 1yws s VAL 57 N 1.30 4.53 0.14 2.92 1.01 0.15 -4.76 120.40 125.69 1yws s VAL 57 Ca -0.04 1.82 -0.04 0.00 0.00 0.00 0.00 61.98 63.72 1yws s VAL 57 Cb -0.14 -4.17 -0.03 0.00 0.00 0.00 0.00 36.38 32.05 1yws s VAL 57 CO -0.02 0.03 0.13 0.72 0.00 0.00 0.00 175.10 175.96 1yws s PHE 58 N 1.86 0.68 0.08 5.22 -0.71 -1.26 0.33 117.98 124.17 1yws s PHE 58 Ca 0.53 -1.06 0.04 0.00 -1.04 0.00 0.00 56.93 55.40 1yws s PHE 58 Cb -0.22 -0.33 -0.03 0.00 -1.21 0.00 0.00 43.02 41.23 1yws s PHE 58 CO 0.22 -0.59 -0.12 0.34 -1.34 0.00 0.00 175.22 173.73 1yws s ASP 59 N -3.01 1.49 0.37 1.98 -1.08 -1.26 -5.04 116.67 110.12 1yws s ASP 59 Ca 0.21 -0.67 0.07 0.00 -0.52 0.00 0.00 52.55 51.64 1yws s ASP 59 Cb 0.06 -0.02 0.73 0.00 -1.46 0.00 0.00 42.92 42.23 1yws s ASP 59 CO 0.01 -0.16 1.92 0.11 0.52 0.00 0.00 175.17 177.57 1yws h LYS 60 N 4.07 0.38 -0.03 4.34 1.57 -1.99 0.51 116.57 125.42 1yws h LYS 60 Ca -0.39 -0.08 -0.00 0.00 -1.87 0.00 0.00 60.65 58.31 1yws h LYS 60 Cb 1.19 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 33.44 1yws h LYS 60 CO 0.45 0.44 0.00 0.93 -0.57 0.00 0.00 179.45 180.70 1yws h GLU 61 N 0.37 0.05 -0.94 3.15 4.39 -1.99 -0.05 114.58 119.57 1yws h GLU 61 Ca 0.08 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.77 1yws h GLU 61 Cb 0.30 -0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 28.90 1yws h GLU 61 CO 0.01 0.32 0.59 -0.44 -1.16 0.00 0.00 179.01 178.33 1yws h ASP 62 N -0.22 1.10 0.57 1.42 3.32 -1.89 -1.14 116.42 119.59 1yws h ASP 62 Ca 0.01 -0.05 -0.02 0.00 0.02 0.00 0.00 57.03 56.99 1yws h ASP 62 Cb 0.29 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 1yws h ASP 62 CO 0.00 0.82 -0.36 -0.07 -1.72 0.00 0.00 179.24 177.91 1yws h LEU 63 N 1.28 -0.92 -0.94 1.55 3.38 -0.73 -0.77 115.31 118.17 1yws h LEU 63 Ca 0.34 0.06 0.08 0.00 0.09 0.00 0.00 57.88 58.44 1yws h LEU 63 Cb -0.10 0.27 -0.07 0.00 0.09 0.00 0.00 40.66 40.86 1yws h LEU 63 CO -0.07 -0.56 0.59 0.00 0.09 0.00 0.00 178.44 178.49 1yws h ALA 64 N -0.55 1.33 -0.47 1.53 0.00 -0.69 0.44 119.26 120.85 1yws h ALA 64 Ca -0.07 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.75 1yws h ALA 64 Cb 0.73 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1yws h ALA 64 CO 0.06 0.31 -0.08 0.93 0.00 0.00 0.00 179.25 180.48 1yws h GLU 65 N 1.04 0.82 0.05 0.00 5.08 -1.10 -2.82 114.58 117.65 1yws h GLU 65 Ca 0.42 -0.26 -0.23 0.00 -1.00 0.00 0.00 59.36 58.29 1yws h GLU 65 Cb 0.25 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.42 1yws h GLU 65 CO -0.20 0.87 -1.03 1.88 -1.00 0.00 0.00 179.01 179.53 1yws h TYR 66 N 0.75 0.40 -0.73 4.33 0.05 0.39 -2.90 116.97 119.24 1yws h TYR 66 Ca 0.13 -0.25 0.14 0.00 0.05 0.00 0.00 58.73 58.80 1yws h TYR 66 Cb 0.56 -0.03 -0.10 0.00 1.01 0.00 0.00 36.73 38.17 1yws h TYR 66 CO 0.03 1.12 0.26 1.88 -1.05 0.00 0.00 178.16 180.40 1yws h TYR 67 N 0.11 0.44 -0.36 4.88 0.05 -0.07 0.39 116.97 122.41 1yws h TYR 67 Ca -0.08 0.04 -0.02 0.00 0.05 0.00 0.00 58.73 58.72 1yws h TYR 67 Cb 1.71 -0.08 -0.02 0.00 1.01 0.00 0.00 36.73 39.35 1yws h TYR 67 CO 0.04 0.03 0.15 1.49 -1.05 0.00 0.00 178.16 178.82 1yws h GLU 68 N 0.39 0.53 -0.55 4.88 4.81 -1.46 -1.19 114.58 121.99 1yws h GLU 68 Ca 0.40 -0.09 -0.10 0.00 -0.13 0.00 0.00 59.36 59.44 1yws h GLU 68 Cb 0.63 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.90 1yws h GLU 68 CO -0.42 0.51 -0.06 0.93 -0.73 0.00 0.00 179.01 179.23 1yws h GLU 69 N 0.43 1.01 0.00 1.92 4.39 -1.10 -2.84 114.58 118.39 1yws h GLU 69 Ca 0.12 -0.35 0.00 0.00 0.34 0.00 0.00 59.36 59.47 1yws h GLU 69 Cb 0.17 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.74 1yws h GLU 69 CO -0.01 1.04 0.00 0.00 -1.16 0.00 0.00 179.01 178.88 1yws n ALA 70 N -2.48 2.24 -2.58 3.43 0.00 0.13 -4.91 120.51 116.32 1yws n ALA 70 Ca 0.02 -0.05 -0.04 0.00 0.00 0.00 0.00 53.44 53.37 1yws n ALA 70 Cb 0.37 -1.45 0.01 0.00 0.00 0.00 0.00 19.45 18.38 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 1.25 0.62 3.69 0.00 0.00 -0.69 -4.58 105.19 105.47 1yws n GLY 71 Ca 0.06 -0.56 -0.25 0.00 0.00 0.00 0.00 46.02 45.27 1yws n GLY 71 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1yws s ILE 72 N -2.91 2.34 -0.11 -0.61 -4.36 -0.53 -5.05 121.20 109.96 1yws s ILE 72 Ca 0.08 -1.83 -0.31 0.00 -0.26 0.00 0.00 60.65 58.33 1yws s ILE 72 Cb -0.04 -2.95 -0.09 0.00 1.25 0.00 0.00 42.46 40.63 1yws s ILE 72 CO 0.10 -0.05 2.04 1.57 0.24 0.00 0.00 174.94 178.84 1yws n HIS 73 N -1.11 2.22 -2.62 1.37 -0.00 -1.26 -4.56 115.22 109.26 1yws n HIS 73 Ca -0.03 -0.13 -0.36 0.00 -0.00 0.00 0.00 57.72 57.19 1yws n HIS 73 Cb 0.64 -2.72 -0.05 0.00 -0.00 0.00 0.00 29.99 27.87 1yws n HIS 73 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.34 175.09 1yws s PRO 74 N 5.05 4.30 0.82 1.57 0.04 -1.26 -5.00 135.00 140.52 1yws s PRO 74 Ca 0.95 1.45 -0.11 0.00 0.04 0.00 0.00 61.00 63.33 1yws s PRO 74 Cb -0.53 -2.61 0.09 0.00 0.04 0.00 0.00 34.50 31.49 1yws s PRO 74 CO 0.44 -0.01 1.10 -2.14 0.04 0.00 0.00 177.00 176.42 1yws s PRO 75 N -2.39 1.86 -0.06 0.56 0.02 -1.26 -5.00 135.00 128.73 1yws s PRO 75 Ca 0.56 0.71 -0.30 0.00 0.02 0.00 0.00 61.00 61.98 1yws s PRO 75 Cb -0.20 -1.89 -0.04 0.00 0.02 0.00 0.00 34.50 32.39 1yws s PRO 75 CO 0.26 -1.80 1.29 -1.21 -0.33 0.00 0.00 177.00 175.21 1yws s GLU 76 N -5.09 4.30 0.27 5.54 2.02 -1.26 -4.93 118.70 119.55 1yws s GLU 76 Ca 0.61 1.77 -0.28 0.00 0.02 0.00 0.00 54.97 57.10 1yws s GLU 76 Cb -0.15 -3.62 -0.15 0.00 0.10 0.00 0.00 34.13 30.31 1yws s GLU 76 CO 0.55 -0.55 0.88 -2.30 0.02 0.00 0.00 175.26 173.87 1yws n PRO 77 N 5.59 1.00 -4.44 0.39 -0.02 -1.26 -5.00 135.00 131.27 1yws n PRO 77 Ca 0.12 0.35 -0.25 0.00 -2.02 0.00 0.00 63.50 61.70 1yws n PRO 77 Cb 0.45 -1.63 -0.11 0.00 -0.02 0.00 0.00 33.50 32.20 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 -1.04 2.39 -0.76 4.25 -4.36 -1.26 -5.09 121.20 115.33 1yws s ILE 78 Ca 0.60 -2.23 0.02 0.00 -0.26 0.00 0.00 60.65 58.77 1yws s ILE 78 Cb -0.76 -2.21 0.18 0.00 1.25 0.00 0.00 42.46 40.93 1yws s ILE 78 CO 0.59 -0.28 0.58 0.00 0.24 0.00 0.00 174.94 176.07 1yws s ALA 79 N -2.16 3.93 -1.35 2.27 0.00 -1.26 -4.80 121.76 118.40 1yws s ALA 79 Ca 0.26 -3.76 0.13 0.00 0.00 0.00 0.00 51.96 48.59 1yws s ALA 79 Cb -0.06 -2.45 0.03 0.00 0.00 0.00 0.00 23.12 20.63 1yws s ALA 79 CO 0.12 -2.11 0.80 0.00 0.00 0.00 0.00 175.76 174.57 1yws n ALA 80 N 2.30 2.86 -2.31 0.00 0.00 -1.26 -4.99 120.51 117.11 1yws n ALA 80 Ca 0.18 -0.52 -0.39 0.00 0.00 0.00 0.00 53.44 52.71 1yws n ALA 80 Cb 0.36 -0.46 -0.05 0.00 0.00 0.00 0.00 19.45 19.29 1yws n ALA 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1yws s ALA 81 N -1.49 3.43 0.00 0.00 0.00 -1.26 -5.20 121.76 117.23 1yws s ALA 81 Ca 0.12 0.23 0.00 0.00 0.00 0.00 0.00 51.96 52.32 1yws s ALA 81 Cb 0.11 -2.91 0.00 0.00 0.00 0.00 0.00 23.12 20.32 1yws s ALA 81 CO 0.28 0.16 0.29 0.00 0.00 0.00 0.00 175.76 176.50