#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yuo n SER 2 N 0.00 -2.03 -4.40 1.61 2.88 -1.26 -4.98 113.62 105.45 2yuo n SER 2 Ca 0.00 -0.17 -0.45 0.00 -1.33 0.00 0.00 58.87 56.92 2yuo n SER 2 Cb 0.00 -1.80 -0.00 0.00 -0.75 0.00 0.00 64.21 61.66 2yuo n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2yuo s SER 3 N -3.38 7.22 0.13 -3.46 0.15 -1.26 -4.88 113.70 108.22 2yuo s SER 3 Ca 0.00 -3.34 -0.26 0.00 0.70 0.00 0.00 55.95 53.05 2yuo s SER 3 Cb -0.00 -2.30 -0.04 0.00 -1.71 0.00 0.00 66.02 61.97 2yuo s SER 3 CO 0.20 -0.49 1.62 1.23 1.20 0.00 0.00 173.24 177.00 2yuo h GLY 4 N 8.05 -0.45 -2.80 9.45 0.00 -1.99 -3.46 103.07 111.87 2yuo h GLY 4 Ca 0.24 0.37 0.07 0.00 0.00 0.00 0.00 47.33 48.02 2yuo h GLY 4 CO 1.12 -0.22 0.35 -1.35 0.00 0.00 0.00 176.54 176.44 2yuo s SER 5 N -4.89 -0.38 -0.03 0.19 1.04 -1.26 -5.08 113.70 103.29 2yuo s SER 5 Ca -0.15 -0.19 -0.21 0.00 0.48 0.00 0.00 55.95 55.88 2yuo s SER 5 Cb 0.10 0.54 -0.15 0.00 0.10 0.00 0.00 66.02 66.61 2yuo s SER 5 CO 0.66 -0.92 0.94 0.28 0.98 0.00 0.00 173.24 175.18 2yuo h SER 6 N 2.00 -0.28 -4.23 7.02 0.02 -2.03 -3.45 113.55 112.60 2yuo h SER 6 Ca -0.26 -0.25 -0.52 0.00 -0.84 0.00 0.00 61.79 59.92 2yuo h SER 6 Cb 1.26 0.07 0.16 0.00 0.14 0.00 0.00 62.40 64.04 2yuo h SER 6 CO 0.31 0.20 0.32 -0.83 -1.14 0.00 0.00 176.83 175.69 2yuo s GLY 7 N -3.06 2.00 0.28 -3.77 0.00 -1.26 -5.05 107.32 96.47 2yuo s GLY 7 Ca -0.12 0.65 0.02 0.00 0.00 0.00 0.00 44.72 45.27 2yuo s GLY 7 CO 0.46 1.05 0.10 0.50 0.00 0.00 0.00 173.10 175.21 2yuo s ARG 8 N -4.33 1.50 -0.04 2.90 0.52 -1.25 -5.03 118.95 113.22 2yuo s ARG 8 Ca 0.69 -1.83 -0.02 0.00 -0.52 0.00 0.00 55.73 54.05 2yuo s ARG 8 Cb -0.24 -0.33 0.02 0.00 0.52 0.00 0.00 34.95 34.91 2yuo s ARG 8 CO 0.51 -0.32 0.09 1.03 0.02 0.00 0.00 175.30 176.63 2yuo s ARG 9 N -3.96 0.08 0.07 3.54 0.52 -1.26 -0.83 118.95 117.11 2yuo s ARG 9 Ca 0.37 0.18 0.10 0.00 -0.52 0.00 0.00 55.73 55.85 2yuo s ARG 9 Cb 0.07 -0.04 -0.03 0.00 0.52 0.00 0.00 34.95 35.47 2yuo s ARG 9 CO 0.15 -0.06 -0.27 0.00 0.02 0.00 0.00 175.30 175.14 2yuo s ALA 10 N 0.42 2.29 -0.18 2.13 0.00 -0.75 -3.55 121.76 122.12 2yuo s ALA 10 Ca -0.03 -1.33 -0.11 0.00 0.00 0.00 0.00 51.96 50.49 2yuo s ALA 10 Cb -0.05 -0.44 -0.05 0.00 0.00 0.00 0.00 23.12 22.58 2yuo s ALA 10 CO -0.02 0.53 0.18 0.21 0.00 0.00 0.00 175.76 176.67 2yuo s LYS 11 N -1.49 4.12 -0.19 0.00 2.20 -0.49 -1.93 119.74 121.95 2yuo s LYS 11 Ca 0.12 -0.11 -0.29 0.00 -0.36 0.00 0.00 55.97 55.33 2yuo s LYS 11 Cb -0.10 -3.39 -0.01 0.00 -1.51 0.00 0.00 37.83 32.82 2yuo s LYS 11 CO 0.03 0.35 1.23 0.00 -0.36 0.00 0.00 175.35 176.60 2yuo s ALA 12 N 0.20 3.63 -0.41 3.13 0.00 -0.11 -0.49 121.76 127.71 2yuo s ALA 12 Ca 0.11 0.36 0.25 0.00 0.00 0.00 0.00 51.96 52.69 2yuo s ALA 12 Cb -0.12 -3.63 0.64 0.00 0.00 0.00 0.00 23.12 20.02 2yuo s ALA 12 CO 0.01 -1.24 1.71 -0.07 0.00 0.00 0.00 175.76 176.17 2yuo h LEU 13 N 9.84 0.00 -8.07 0.00 3.38 -1.84 -0.19 115.31 118.43 2yuo h LEU 13 Ca -0.25 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.70 2yuo h LEU 13 Cb 1.10 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.82 2yuo h LEU 13 CO 0.98 0.00 0.18 -1.48 0.09 0.00 0.00 178.44 178.21 2yuo s LEU 14 N -5.76 0.05 0.01 1.67 2.34 -1.25 -4.69 118.68 111.04 2yuo s LEU 14 Ca 0.07 -1.00 -0.23 0.00 0.06 0.00 0.00 54.13 53.02 2yuo s LEU 14 Cb 0.07 2.59 -0.05 0.00 -0.56 0.00 0.00 46.19 48.24 2yuo s LEU 14 CO 0.62 -1.50 0.71 -0.62 -1.06 0.00 0.00 176.35 174.49 2yuo s ASP 15 N -3.04 7.10 -0.11 1.48 -1.08 -1.26 -3.69 116.67 116.07 2yuo s ASP 15 Ca 0.16 1.31 0.02 0.00 -0.52 0.00 0.00 52.55 53.52 2yuo s ASP 15 Cb -0.05 -2.43 -0.01 0.00 -1.46 0.00 0.00 42.92 38.98 2yuo s ASP 15 CO 0.11 0.01 -0.17 0.12 0.52 0.00 0.00 175.17 175.75 2yuo s PHE 16 N 0.11 2.71 -0.51 -5.34 5.36 -0.94 -4.91 117.98 114.45 2yuo s PHE 16 Ca 0.36 -0.76 -0.16 0.00 -0.96 0.00 0.00 56.93 55.41 2yuo s PHE 16 Cb -0.19 -1.78 0.11 0.00 -0.34 0.00 0.00 43.02 40.82 2yuo s PHE 16 CO 0.20 -0.27 0.46 -1.21 -1.46 0.00 0.00 175.22 172.95 2yuo s GLU 17 N 0.28 2.98 0.05 10.12 0.41 -1.26 -2.94 118.70 128.34 2yuo s GLU 17 Ca -0.13 -1.58 -0.31 0.00 -0.41 0.00 0.00 54.97 52.55 2yuo s GLU 17 Cb -0.16 -4.23 -0.06 0.00 -1.78 0.00 0.00 34.13 27.89 2yuo s GLU 17 CO 0.07 -1.22 1.37 -0.98 -0.49 0.00 0.00 175.26 174.01 2yuo s ARG 18 N 1.61 4.32 -0.09 1.61 1.70 -1.26 -4.92 118.95 121.91 2yuo s ARG 18 Ca 0.03 1.98 -0.05 0.00 -0.47 0.00 0.00 55.73 57.23 2yuo s ARG 18 Cb -0.28 -3.41 -0.27 0.00 -0.57 0.00 0.00 34.95 30.42 2yuo s ARG 18 CO 0.04 -0.48 0.48 1.12 -1.08 0.00 0.00 175.30 175.39 2yuo h HIS 19 N 7.29 0.46 -3.25 5.89 2.07 -1.97 -3.47 115.15 122.18 2yuo h HIS 19 Ca -0.40 -0.34 -0.66 0.00 -2.85 0.00 0.00 60.37 56.12 2yuo h HIS 19 Cb 1.20 -0.02 -0.12 0.00 2.57 0.00 0.00 27.41 31.04 2yuo h HIS 19 CO 0.70 1.65 -0.61 -0.51 -3.07 0.00 0.00 177.93 176.09 2yuo s ASP 20 N -6.96 5.36 0.28 3.10 1.01 -1.26 -5.01 116.67 113.19 2yuo s ASP 20 Ca -0.18 0.05 -0.00 0.00 0.71 0.00 0.00 52.55 53.13 2yuo s ASP 20 Cb 0.07 -1.46 0.64 0.00 1.01 0.00 0.00 42.92 43.17 2yuo s ASP 20 CO 0.80 0.27 1.65 -0.78 0.21 0.00 0.00 175.17 177.32 2yuo h ASP 21 N 4.20 -0.04 -0.39 0.27 1.82 -2.04 0.12 116.42 120.36 2yuo h ASP 21 Ca -0.49 0.19 0.06 0.00 -0.39 0.00 0.00 57.03 56.40 2yuo h ASP 21 Cb 1.18 0.27 -0.05 0.00 0.68 0.00 0.00 39.33 41.40 2yuo h ASP 21 CO 0.60 -0.14 0.08 -2.24 -1.61 0.00 0.00 179.24 175.93 2yuo h ASP 22 N 0.21 0.01 -1.99 2.28 2.03 -1.95 -3.41 116.42 113.61 2yuo h ASP 22 Ca 0.51 0.07 -0.61 0.00 -0.73 0.00 0.00 57.03 56.27 2yuo h ASP 22 Cb 1.00 0.09 0.01 0.00 -0.83 0.00 0.00 39.33 39.60 2yuo h ASP 22 CO -0.64 0.04 1.16 -0.62 -1.03 0.00 0.00 179.24 178.16 2yuo n GLU 23 N -5.09 2.14 -2.72 4.15 1.02 0.41 -2.89 120.64 117.66 2yuo n GLU 23 Ca 0.02 0.77 -0.43 0.00 -0.02 0.00 0.00 57.16 57.50 2yuo n GLU 23 Cb 0.18 -2.70 -0.03 0.00 -0.02 0.00 0.00 31.44 28.87 2yuo n GLU 23 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 2yuo s LEU 24 N 4.63 3.84 0.63 -4.62 2.96 0.35 -4.74 118.68 121.73 2yuo s LEU 24 Ca 0.94 0.36 -0.05 0.00 -0.22 0.00 0.00 54.13 55.16 2yuo s LEU 24 Cb -0.66 -3.37 0.03 0.00 0.50 0.00 0.00 46.19 42.69 2yuo s LEU 24 CO 0.50 -1.11 0.92 -0.83 -1.32 0.00 0.00 176.35 174.51 2yuo s GLY 25 N 2.28 1.67 0.16 7.98 0.00 -1.26 -4.78 107.32 113.37 2yuo s GLY 25 Ca 0.42 -0.89 -0.15 0.00 0.00 0.00 0.00 44.72 44.10 2yuo s GLY 25 CO 0.27 -0.56 0.74 1.97 0.00 0.00 0.00 173.10 175.52 2yuo n PHE 26 N -2.68 -1.30 -4.49 1.90 -1.74 -1.15 -5.00 117.46 103.00 2yuo n PHE 26 Ca 0.06 -1.02 -0.24 0.00 -0.56 0.00 0.00 57.45 55.70 2yuo n PHE 26 Cb 0.59 0.50 -0.10 0.00 1.52 0.00 0.00 39.48 41.98 2yuo n PHE 26 CO 0.00 0.00 0.00 1.03 -0.56 0.00 0.00 176.76 177.23 2yuo s ARG 27 N -2.04 1.71 0.40 3.97 1.81 -1.26 -2.21 118.95 121.31 2yuo s ARG 27 Ca 0.16 -1.87 -0.27 0.00 -1.72 0.00 0.00 55.73 52.03 2yuo s ARG 27 Cb -0.02 -1.50 -0.10 0.00 -0.45 0.00 0.00 34.95 32.88 2yuo s ARG 27 CO 0.05 0.11 1.43 0.21 -0.68 0.00 0.00 175.30 176.42 2yuo s LYS 28 N -3.65 3.99 -1.12 3.54 2.20 -1.24 -2.99 119.74 120.48 2yuo s LYS 28 Ca 0.31 2.45 -0.02 0.00 -0.36 0.00 0.00 55.97 58.35 2yuo s LYS 28 Cb 0.02 -2.86 0.00 0.00 -1.51 0.00 0.00 37.83 33.48 2yuo s LYS 28 CO 0.15 -0.58 0.94 0.09 -0.36 0.00 0.00 175.35 175.59 2yuo n ASN 29 N 0.26 -2.90 -4.26 1.43 3.02 -0.08 -4.94 115.26 107.79 2yuo n ASN 29 Ca 0.02 -0.55 -0.26 0.00 -0.03 0.00 0.00 54.58 53.77 2yuo n ASN 29 Cb 0.41 -4.67 -0.14 0.00 -0.61 0.00 0.00 39.78 34.76 2yuo n ASN 29 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 2yuo s ASP 30 N -4.02 2.57 -0.17 6.41 1.11 -1.16 -4.92 116.67 116.49 2yuo s ASP 30 Ca 0.12 -0.52 -0.14 0.00 0.18 0.00 0.00 52.55 52.19 2yuo s ASP 30 Cb -0.05 -0.22 -0.05 0.00 1.07 0.00 0.00 42.92 43.67 2yuo s ASP 30 CO 0.66 0.18 0.30 -0.63 1.18 0.00 0.00 175.17 176.86 2yuo s ILE 31 N -0.78 5.30 -0.06 0.77 -1.09 -1.26 -0.93 121.20 123.15 2yuo s ILE 31 Ca 0.08 0.55 0.04 0.00 -2.23 0.00 0.00 60.65 59.09 2yuo s ILE 31 Cb -0.09 -3.64 0.00 0.00 -1.58 0.00 0.00 42.46 37.16 2yuo s ILE 31 CO 0.02 0.37 -0.16 -0.63 -1.23 0.00 0.00 174.94 173.30 2yuo s ILE 32 N 0.60 1.40 0.21 2.92 1.01 -0.81 -4.98 121.20 121.54 2yuo s ILE 32 Ca 0.16 -0.67 -0.30 0.00 0.00 0.00 0.00 60.65 59.85 2yuo s ILE 32 Cb -0.13 -1.23 -0.08 0.00 0.01 0.00 0.00 42.46 41.03 2yuo s ILE 32 CO 0.04 0.41 0.95 -0.89 0.00 0.00 0.00 174.94 175.45 2yuo s THR 33 N 0.30 4.15 -0.38 2.92 2.01 -1.15 -1.81 115.64 121.68 2yuo s THR 33 Ca -0.10 2.06 -0.15 0.00 0.31 0.00 0.00 61.69 63.81 2yuo s THR 33 Cb -0.14 -4.31 0.00 0.00 0.01 0.00 0.00 72.50 68.06 2yuo s THR 33 CO 0.04 0.45 0.35 -0.63 -0.69 0.00 0.00 174.62 174.13 2yuo s ILE 34 N -0.88 5.18 -0.07 1.82 1.01 -0.01 0.80 121.20 129.06 2yuo s ILE 34 Ca 0.43 -0.25 -0.03 0.00 0.00 0.00 0.00 60.65 60.79 2yuo s ILE 34 Cb -0.26 -3.89 -0.01 0.00 0.01 0.00 0.00 42.46 38.32 2yuo s ILE 34 CO 0.32 -0.21 -0.06 0.40 0.00 0.00 0.00 174.94 175.39 2yuo h ILE 35 N 5.60 0.00 -3.32 2.92 1.08 -0.67 -3.33 117.51 119.80 2yuo h ILE 35 Ca -0.29 -0.54 -0.37 0.00 -0.39 0.00 0.00 64.86 63.27 2yuo h ILE 35 Cb 1.13 0.00 -0.14 0.00 -3.07 0.00 0.00 36.82 34.74 2yuo h ILE 35 CO 0.72 0.00 -0.67 -0.55 -0.69 0.00 0.00 178.15 176.96 2yuo s SER 36 N -4.58 1.84 -0.28 1.72 0.15 -0.83 -5.01 113.70 106.71 2yuo s SER 36 Ca -0.05 -1.19 -0.02 0.00 0.70 0.00 0.00 55.95 55.40 2yuo s SER 36 Cb 0.01 0.00 0.09 0.00 -1.71 0.00 0.00 66.02 64.41 2yuo s SER 36 CO 0.07 -0.48 0.08 -1.10 1.20 0.00 0.00 173.24 173.01 2yuo s GLN 37 N -3.84 0.65 -0.06 5.44 -0.21 -1.26 -0.23 119.66 120.15 2yuo s GLN 37 Ca 0.27 -0.85 -0.14 0.00 0.02 0.00 0.00 55.36 54.66 2yuo s GLN 37 Cb 0.05 -1.92 -0.09 0.00 1.00 0.00 0.00 33.01 32.05 2yuo s GLN 37 CO 0.08 -0.90 0.57 0.87 -2.12 0.00 0.00 175.29 173.78 2yuo h LYS 38 N 8.16 -0.32 -5.85 2.91 6.56 -1.91 -3.48 116.57 122.64 2yuo h LYS 38 Ca -0.15 0.02 -0.60 0.00 -1.06 0.00 0.00 60.65 58.86 2yuo h LYS 38 Cb 1.04 0.07 -0.11 0.00 -0.57 0.00 0.00 32.23 32.66 2yuo h LYS 38 CO 0.44 -0.09 -0.59 0.34 -2.06 0.00 0.00 179.45 177.48 2yuo s ASP 39 N -5.24 4.06 0.44 0.86 2.15 -0.52 -5.02 116.67 113.41 2yuo s ASP 39 Ca -0.08 -1.18 0.12 0.00 0.43 0.00 0.00 52.55 51.84 2yuo s ASP 39 Cb 0.00 -0.44 0.99 0.00 -0.30 0.00 0.00 42.92 43.17 2yuo s ASP 39 CO 0.27 -0.38 2.04 -0.08 -0.17 0.00 0.00 175.17 176.84 2yuo h GLU 40 N 1.74 0.19 0.00 4.34 4.81 -2.03 -3.25 114.58 120.37 2yuo h GLU 40 Ca -0.43 -0.02 -0.44 0.00 -0.13 0.00 0.00 59.36 58.33 2yuo h GLU 40 Cb 1.25 -0.04 -0.07 0.00 0.63 0.00 0.00 28.75 30.52 2yuo h GLU 40 CO 0.73 0.22 -2.47 0.72 -0.73 0.00 0.00 179.01 177.48 2yuo n HIS 41 N -4.41 0.07 -2.60 0.92 8.25 -1.26 -4.87 115.22 111.31 2yuo n HIS 41 Ca -0.01 0.03 -0.43 0.00 -0.26 0.00 0.00 57.72 57.05 2yuo n HIS 41 Cb 0.16 -1.01 -0.02 0.00 1.12 0.00 0.00 29.99 30.24 2yuo n HIS 41 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2yuo s TRP 43 N 4.36 2.49 -0.17 0.00 0.51 -0.98 -1.43 118.94 123.71 2yuo s TRP 43 Ca 0.48 -0.42 0.01 0.00 -2.12 0.00 0.00 56.10 54.05 2yuo s TRP 43 Cb -0.08 -1.37 0.02 0.00 -0.81 0.00 0.00 33.47 31.23 2yuo s TRP 43 CO 0.29 0.55 -0.20 0.08 -0.51 0.00 0.00 176.95 177.16 2yuo s VAL 44 N -2.53 2.04 0.10 4.03 1.01 0.68 -1.25 120.40 124.48 2yuo s VAL 44 Ca 0.33 -0.93 0.00 0.00 0.00 0.00 0.00 61.98 61.38 2yuo s VAL 44 Cb -0.01 -1.84 -0.00 0.00 0.00 0.00 0.00 36.38 34.53 2yuo s VAL 44 CO 0.18 0.54 0.01 0.61 0.00 0.00 0.00 175.10 176.44 2yuo n GLY 45 N 4.56 4.02 2.79 4.51 0.00 -1.04 0.04 105.19 120.07 2yuo n GLY 45 Ca -0.21 -2.14 -0.21 0.00 0.00 0.00 0.00 46.02 43.46 2yuo n GLY 45 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2yuo s GLU 46 N -2.36 0.57 0.01 1.61 2.12 0.24 -3.32 118.70 117.56 2yuo s GLU 46 Ca 0.02 0.08 -0.19 0.00 0.36 0.00 0.00 54.97 55.24 2yuo s GLU 46 Cb 0.00 -0.85 0.04 0.00 0.26 0.00 0.00 34.13 33.57 2yuo s GLU 46 CO 0.01 -0.24 0.41 -1.17 -0.54 0.00 0.00 175.26 173.73 2yuo s LEU 47 N 1.66 0.43 -0.86 2.70 2.96 -0.74 -2.95 118.68 121.87 2yuo s LEU 47 Ca -0.00 0.13 -0.02 0.00 -0.22 0.00 0.00 54.13 54.02 2yuo s LEU 47 Cb -0.13 1.67 0.02 0.00 0.50 0.00 0.00 46.19 48.25 2yuo s LEU 47 CO -0.04 -0.57 0.10 0.59 -1.32 0.00 0.00 176.35 175.11 2yuo n ASN 48 N 0.85 -3.16 -1.31 3.68 3.02 -1.26 0.75 115.26 117.83 2yuo n ASN 48 Ca -0.20 0.14 -0.12 0.00 -0.03 0.00 0.00 54.58 54.38 2yuo n ASN 48 Cb 0.58 -2.71 -0.01 0.00 -0.61 0.00 0.00 39.78 37.03 2yuo n ASN 48 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2yuo n GLY 49 N -0.80 0.00 3.33 7.41 0.00 -1.26 -5.02 105.19 108.85 2yuo n GLY 49 Ca -0.08 -0.40 -0.19 0.00 0.00 0.00 0.00 46.02 45.35 2yuo n GLY 49 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2yuo s LEU 50 N -3.33 2.53 -0.07 0.99 1.43 0.23 -5.14 118.68 115.31 2yuo s LEU 50 Ca 0.00 -0.98 -0.02 0.00 -1.03 0.00 0.00 54.13 52.10 2yuo s LEU 50 Cb 0.00 -0.67 0.03 0.00 0.03 0.00 0.00 46.19 45.58 2yuo s LEU 50 CO 0.00 -0.16 0.04 -0.13 0.23 0.00 0.00 176.35 176.34 2yuo s ARG 51 N -3.47 0.20 0.00 1.70 0.52 -1.26 -1.80 118.95 114.85 2yuo s ARG 51 Ca 0.20 0.20 0.00 0.00 -0.52 0.00 0.00 55.73 55.62 2yuo s ARG 51 Cb -0.02 -0.88 0.00 0.00 0.52 0.00 0.00 34.95 34.58 2yuo s ARG 51 CO 0.06 -0.37 0.00 0.41 0.02 0.00 0.00 175.30 175.42 2yuo n GLY 52 N 5.23 2.21 3.92 -3.53 0.00 -1.21 -4.97 105.19 106.85 2yuo n GLY 52 Ca -0.05 -0.89 -0.20 0.00 0.00 0.00 0.00 46.02 44.87 2yuo n GLY 52 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 2yuo s TRP 53 N -6.24 3.09 -0.13 1.61 1.48 -1.14 -2.49 118.94 115.12 2yuo s TRP 53 Ca 0.00 -0.21 -0.30 0.00 -1.06 0.00 0.00 56.10 54.53 2yuo s TRP 53 Cb 0.00 -1.80 0.12 0.00 -1.16 0.00 0.00 33.47 30.63 2yuo s TRP 53 CO 0.00 0.18 0.94 -0.59 -4.06 0.00 0.00 176.95 173.42 2yuo s PHE 54 N -2.19 -0.42 -0.38 1.66 -0.12 -0.38 -0.49 117.98 115.66 2yuo s PHE 54 Ca 0.41 0.70 -0.28 0.00 -0.05 0.00 0.00 56.93 57.70 2yuo s PHE 54 Cb -0.08 0.45 -0.01 0.00 -0.63 0.00 0.00 43.02 42.75 2yuo s PHE 54 CO 0.29 -0.40 1.72 -1.25 -0.05 0.00 0.00 175.22 175.53 2yuo s PRO 55 N -1.21 3.30 0.55 1.99 0.04 -1.26 -2.32 135.00 136.08 2yuo s PRO 55 Ca -0.03 1.22 0.25 0.00 0.04 0.00 0.00 61.00 62.48 2yuo s PRO 55 Cb -0.00 -4.18 1.46 0.00 0.04 0.00 0.00 34.50 31.81 2yuo s PRO 55 CO 0.03 -1.90 2.04 0.00 0.04 0.00 0.00 177.00 177.20 2yuo h ALA 56 N 12.64 2.21 -0.11 8.56 0.00 -1.42 0.45 119.26 141.59 2yuo h ALA 56 Ca -0.31 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.62 2yuo h ALA 56 Cb 1.15 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 2yuo h ALA 56 CO 1.07 -0.47 0.16 1.57 0.00 0.00 0.00 179.25 181.58 2yuo h LYS 57 N 0.00 0.00 0.03 0.00 2.10 -1.89 0.39 116.57 117.20 2yuo h LYS 57 Ca 0.17 0.00 -0.22 0.00 -2.00 0.00 0.00 60.65 58.60 2yuo h LYS 57 Cb 0.74 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.06 2yuo h LYS 57 CO -0.00 0.00 -0.99 0.74 -2.00 0.00 0.00 179.45 177.19 2yuo h PHE 58 N 0.00 0.25 -1.40 0.07 -1.00 -1.30 -3.46 116.94 110.11 2yuo h PHE 58 Ca 0.05 -0.16 -0.53 0.00 2.81 0.00 0.00 57.97 60.14 2yuo h PHE 58 Cb 0.38 -0.02 -0.05 0.00 3.61 0.00 0.00 35.95 39.87 2yuo h PHE 58 CO 0.00 1.05 -0.40 0.14 -1.61 0.00 0.00 178.31 177.48 2yuo s VAL 59 N -2.95 2.39 -0.05 -0.55 -7.23 0.13 -2.66 120.40 109.48 2yuo s VAL 59 Ca -0.02 -1.48 0.04 0.00 -1.81 0.00 0.00 61.98 58.71 2yuo s VAL 59 Cb 0.09 -2.87 -0.00 0.00 0.56 0.00 0.00 36.38 34.16 2yuo s VAL 59 CO 0.84 0.00 -0.18 -0.70 -0.31 0.00 0.00 175.10 174.75 2yuo s GLU 60 N -4.08 1.91 0.58 4.82 2.12 0.36 -4.86 118.70 119.55 2yuo s GLU 60 Ca 0.44 -0.62 -0.18 0.00 0.36 0.00 0.00 54.97 54.96 2yuo s GLU 60 Cb -0.01 -1.63 -0.04 0.00 0.26 0.00 0.00 34.13 32.72 2yuo s GLU 60 CO 0.25 0.22 1.15 0.08 -0.54 0.00 0.00 175.26 176.43 2yuo s VAL 61 N 0.12 2.99 -0.11 3.70 1.01 -1.26 -1.40 120.40 125.45 2yuo s VAL 61 Ca -0.06 0.59 0.00 0.00 0.00 0.00 0.00 61.98 62.51 2yuo s VAL 61 Cb -0.13 -3.20 0.02 0.00 0.00 0.00 0.00 36.38 33.08 2yuo s VAL 61 CO 0.03 -0.16 -0.10 -0.76 0.00 0.00 0.00 175.10 174.11 2yuo s LEU 62 N -4.09 1.36 -0.33 3.92 1.43 -1.23 -4.87 118.68 114.87 2yuo s LEU 62 Ca 0.73 -0.34 0.01 0.00 -1.03 0.00 0.00 54.13 53.50 2yuo s LEU 62 Cb -0.25 -0.91 0.33 0.00 0.03 0.00 0.00 46.19 45.39 2yuo s LEU 62 CO 0.32 -0.08 1.78 0.47 0.23 0.00 0.00 176.35 179.06 2yuo n ASP 63 N 4.72 5.04 -4.06 2.29 9.92 -1.26 -4.75 116.55 128.45 2yuo n ASP 63 Ca -0.15 -3.09 -0.35 0.00 -0.53 0.00 0.00 54.79 50.67 2yuo n ASP 63 Cb 0.50 -0.87 -0.07 0.00 -0.64 0.00 0.00 41.12 40.05 2yuo n ASP 63 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 2yuo n GLU 64 N -0.22 -0.77 -3.57 -1.24 -0.58 -1.26 -4.85 120.64 108.14 2yuo n GLU 64 Ca 0.36 0.11 -0.41 0.00 -0.42 0.00 0.00 57.16 56.81 2yuo n GLU 64 Cb 0.91 -3.88 -0.11 0.00 -0.57 0.00 0.00 31.44 27.79 2yuo n GLU 64 CO 0.00 0.00 0.00 0.50 -0.48 0.00 0.00 177.13 177.15 2yuo s ARG 65 N -6.29 2.79 0.25 3.49 3.52 -1.26 -5.04 118.95 116.40 2yuo s ARG 65 Ca 0.64 -1.19 -0.20 0.00 -0.13 0.00 0.00 55.73 54.85 2yuo s ARG 65 Cb -0.38 -3.79 0.03 0.00 -1.56 0.00 0.00 34.95 29.25 2yuo s ARG 65 CO 0.86 -0.79 0.66 0.45 -0.81 0.00 0.00 175.30 175.67 2yuo s SER 66 N 1.77 -0.31 0.08 -2.12 0.15 -1.26 -5.19 113.70 106.83 2yuo s SER 66 Ca 0.02 -0.50 0.01 0.00 0.70 0.00 0.00 55.95 56.18 2yuo s SER 66 Cb -0.20 0.68 -0.04 0.00 -1.71 0.00 0.00 66.02 64.74 2yuo s SER 66 CO 0.06 -1.23 -0.06 -0.75 1.20 0.00 0.00 173.24 172.46 2yuo s LYS 67 N -3.89 0.72 -0.11 5.44 2.20 -1.26 -5.15 119.74 117.69 2yuo s LYS 67 Ca 0.10 -1.22 0.03 0.00 -0.36 0.00 0.00 55.97 54.52 2yuo s LYS 67 Cb -0.04 -0.09 -0.00 0.00 -1.51 0.00 0.00 37.83 36.18 2yuo s LYS 67 CO 0.02 -0.04 -0.21 -2.00 -0.36 0.00 0.00 175.35 172.76 2yuo s GLU 68 N -3.54 3.12 -0.03 4.03 2.12 -1.26 -5.12 118.70 118.03 2yuo s GLU 68 Ca 0.07 -0.83 -0.14 0.00 0.36 0.00 0.00 54.97 54.43 2yuo s GLU 68 Cb 0.04 -2.38 -0.05 0.00 0.26 0.00 0.00 34.13 32.00 2yuo s GLU 68 CO -0.05 0.19 0.37 0.71 -0.54 0.00 0.00 175.26 175.93 2yuo s TYR 69 N 0.34 3.68 0.45 5.30 1.51 -1.26 -5.05 117.35 122.32 2yuo s TYR 69 Ca -0.17 0.90 -0.25 0.00 -1.01 0.00 0.00 57.07 56.54 2yuo s TYR 69 Cb -0.17 -2.26 -0.08 0.00 -0.11 0.00 0.00 41.96 39.33 2yuo s TYR 69 CO 0.08 0.61 1.40 -1.13 -1.11 0.00 0.00 175.55 175.40 2yuo n SER 70 N 2.05 3.15 -4.71 2.29 3.41 -1.26 -4.91 113.62 113.65 2yuo n SER 70 Ca -0.14 1.11 -0.41 0.00 -0.26 0.00 0.00 58.87 59.16 2yuo n SER 70 Cb 0.53 -1.58 0.01 0.00 -0.26 0.00 0.00 64.21 62.90 2yuo n SER 70 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 2yuo n ILE 71 N -0.26 2.39 -3.42 -1.33 5.41 -1.26 -4.98 119.36 115.91 2yuo n ILE 71 Ca 0.06 -0.50 -0.33 0.00 1.00 0.00 0.00 62.75 62.98 2yuo n ILE 71 Cb 0.41 -1.60 -0.05 0.00 -0.71 0.00 0.00 39.64 37.69 2yuo n ILE 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2yuo s ALA 72 N -1.17 3.58 0.04 -1.39 0.00 -1.26 -5.01 121.76 116.56 2yuo s ALA 72 Ca 0.59 -0.26 -0.35 0.00 0.00 0.00 0.00 51.96 51.94 2yuo s ALA 72 Cb -0.52 -2.44 -0.14 0.00 0.00 0.00 0.00 23.12 20.02 2yuo s ALA 72 CO 0.59 0.50 1.59 0.45 0.00 0.00 0.00 175.76 178.89 2yuo n SER 73 N 0.10 2.67 0.00 0.00 2.88 -1.26 -4.77 113.62 113.24 2yuo n SER 73 Ca -0.01 1.07 0.00 0.00 -1.33 0.00 0.00 58.87 58.60 2yuo n SER 73 Cb 0.52 -1.32 0.00 0.00 -0.75 0.00 0.00 64.21 62.66 2yuo n SER 73 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2yuo n GLY 74 N 3.43 0.20 3.66 0.46 0.00 -1.26 -5.09 105.19 106.60 2yuo n GLY 74 Ca 0.19 -1.57 -0.42 0.00 0.00 0.00 0.00 46.02 44.22 2yuo n GLY 74 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2yuo s PRO 75 N -2.00 4.21 -0.39 1.61 0.04 -1.26 -4.89 135.00 132.32 2yuo s PRO 75 Ca 0.00 2.01 -0.45 0.00 0.04 0.00 0.00 61.00 62.60 2yuo s PRO 75 Cb 0.00 -3.85 -0.20 0.00 0.04 0.00 0.00 34.50 30.49 2yuo s PRO 75 CO 0.00 -0.76 1.46 -1.13 0.04 0.00 0.00 177.00 176.61 2yuo n SER 76 N 6.69 0.94 -3.66 6.66 3.41 -1.26 -4.93 113.62 121.47 2yuo n SER 76 Ca 0.16 1.16 -0.11 0.00 -0.26 0.00 0.00 58.87 59.82 2yuo n SER 76 Cb 0.43 -0.87 -0.08 0.00 -0.26 0.00 0.00 64.21 63.43 2yuo n SER 76 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2yuo s SER 77 N 2.34 -0.73 0.00 4.04 1.04 -1.26 -5.24 113.70 113.89 2yuo s SER 77 Ca 1.00 1.29 0.00 0.00 0.48 0.00 0.00 55.95 58.72 2yuo s SER 77 Cb -1.42 1.24 0.00 0.00 0.10 0.00 0.00 66.02 65.93 2yuo s SER 77 CO 0.75 -0.22 0.00 0.61 0.98 0.00 0.00 173.24 175.36