#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 -5.23 -3.98 1.61 7.64 -1.26 -4.99 113.62 107.41 2yuo n SER 2 Ca 0.00 -0.51 -0.31 0.00 1.01 0.00 0.00 58.87 59.06 2yuo n SER 2 Cb 0.00 -4.67 -0.15 0.00 -1.01 0.00 0.00 64.21 58.38 2yuo n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2yuo s SER 3 N -3.48 4.22 0.00 6.43 0.01 -1.26 -5.01 113.70 114.60 2yuo s SER 3 Ca 0.43 -1.46 0.00 0.00 1.31 0.00 0.00 55.95 56.23 2yuo s SER 3 Cb -0.19 -1.35 0.00 0.00 0.21 0.00 0.00 66.02 64.69 2yuo s SER 3 CO 0.67 -0.26 0.00 0.61 0.41 0.00 0.00 173.24 174.66 2yuo n GLY 4 N 4.53 0.75 3.08 3.44 0.00 -1.26 -5.18 105.19 110.55 2yuo n GLY 4 Ca -0.09 0.45 -0.15 0.00 0.00 0.00 0.00 46.02 46.23 2yuo n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yuo s SER 5 N 0.00 1.10 -0.66 1.61 0.01 -1.26 -5.05 113.70 109.45 2yuo s SER 5 Ca 0.00 -0.48 -0.02 0.00 1.31 0.00 0.00 55.95 56.76 2yuo s SER 5 Cb 0.00 -0.02 0.37 0.00 0.21 0.00 0.00 66.02 66.58 2yuo s SER 5 CO 0.00 -0.11 2.09 -1.20 0.41 0.00 0.00 173.24 174.43 2yuo n SER 6 N 1.71 7.43 -4.67 2.44 7.64 -1.26 -4.97 113.62 121.93 2yuo n SER 6 Ca -0.20 -3.68 -0.43 0.00 1.01 0.00 0.00 58.87 55.57 2yuo n SER 6 Cb 0.55 -1.03 -0.02 0.00 -1.01 0.00 0.00 64.21 62.69 2yuo n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2yuo s GLY 7 N -1.22 1.96 0.29 0.23 0.00 -1.26 -4.98 107.32 102.34 2yuo s GLY 7 Ca 0.57 0.37 0.06 0.00 0.00 0.00 0.00 44.72 45.72 2yuo s GLY 7 CO -0.14 2.17 -0.02 0.50 0.00 0.00 0.00 173.10 175.61 2yuo s ARG 8 N 2.71 1.57 -0.09 2.90 0.52 -1.25 -5.03 118.95 120.28 2yuo s ARG 8 Ca 0.49 -1.82 -0.06 0.00 -0.52 0.00 0.00 55.73 53.83 2yuo s ARG 8 Cb -0.19 -1.05 0.04 0.00 0.52 0.00 0.00 34.95 34.27 2yuo s ARG 8 CO 0.14 -0.04 0.22 1.03 0.02 0.00 0.00 175.30 176.68 2yuo s ARG 9 N -3.78 0.20 -0.03 3.54 0.52 -1.26 -0.39 118.95 117.75 2yuo s ARG 9 Ca 0.31 0.44 0.04 0.00 -0.52 0.00 0.00 55.73 56.00 2yuo s ARG 9 Cb 0.06 -0.06 -0.03 0.00 0.52 0.00 0.00 34.95 35.44 2yuo s ARG 9 CO 0.13 -0.12 -0.14 0.00 0.02 0.00 0.00 175.30 175.18 2yuo s ALA 10 N 0.91 2.70 -0.17 2.13 0.00 -0.05 -2.82 121.76 124.47 2yuo s ALA 10 Ca -0.07 -1.01 -0.11 0.00 0.00 0.00 0.00 51.96 50.77 2yuo s ALA 10 Cb -0.08 -0.95 -0.05 0.00 0.00 0.00 0.00 23.12 22.04 2yuo s ALA 10 CO -0.06 0.57 0.19 0.21 0.00 0.00 0.00 175.76 176.67 2yuo s LYS 11 N -0.92 4.09 0.10 0.00 2.36 0.56 -0.98 119.74 124.94 2yuo s LYS 11 Ca 0.13 -0.09 -0.30 0.00 -2.55 0.00 0.00 55.97 53.15 2yuo s LYS 11 Cb -0.11 -3.38 -0.06 0.00 -1.05 0.00 0.00 37.83 33.23 2yuo s LYS 11 CO 0.02 0.37 1.20 0.00 1.55 0.00 0.00 175.35 178.49 2yuo s ALA 12 N 0.13 3.41 -0.03 3.13 0.00 0.22 0.35 121.76 128.97 2yuo s ALA 12 Ca 0.12 0.88 0.12 0.00 0.00 0.00 0.00 51.96 53.09 2yuo s ALA 12 Cb -0.12 -3.44 -0.19 0.00 0.00 0.00 0.00 23.12 19.37 2yuo s ALA 12 CO 0.01 -0.41 0.86 -0.07 0.00 0.00 0.00 175.76 176.15 2yuo h LEU 13 N 6.36 0.00 0.00 0.00 3.38 -1.69 0.17 115.31 123.54 2yuo h LEU 13 Ca -0.42 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.36 2yuo h LEU 13 Cb 1.21 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.92 2yuo h LEU 13 CO 0.79 0.89 -0.13 0.00 0.09 0.00 0.00 178.44 180.09 2yuo n LEU 14 N -3.09 0.00 -4.63 1.67 -0.00 -1.25 -4.51 117.00 105.19 2yuo n LEU 14 Ca -0.11 -1.68 -0.42 0.00 -0.00 0.00 0.00 56.01 53.80 2yuo n LEU 14 Cb 0.97 1.35 -0.04 0.00 -0.00 0.00 0.00 43.42 45.70 2yuo n LEU 14 CO 0.45 -0.36 0.69 1.51 -0.00 0.00 0.00 177.39 179.68 2yuo s ASP 15 N -2.27 6.79 -0.37 1.45 -4.77 -1.26 -3.41 116.67 112.83 2yuo s ASP 15 Ca 0.18 0.88 -0.05 0.00 -3.30 0.00 0.00 52.55 50.27 2yuo s ASP 15 Cb -0.00 -2.45 0.08 0.00 -1.09 0.00 0.00 42.92 39.46 2yuo s ASP 15 CO 0.13 -0.64 0.15 0.12 0.70 0.00 0.00 175.17 175.63 2yuo s PHE 16 N 3.06 3.40 -0.49 2.11 5.36 0.12 -4.95 117.98 126.59 2yuo s PHE 16 Ca 0.36 -1.91 -0.22 0.00 -0.96 0.00 0.00 56.93 54.19 2yuo s PHE 16 Cb -0.14 -2.74 0.04 0.00 -0.34 0.00 0.00 43.02 39.83 2yuo s PHE 16 CO 0.11 -0.86 0.79 -1.21 -1.46 0.00 0.00 175.22 172.58 2yuo s GLU 17 N 1.28 3.31 0.08 10.12 0.41 -1.26 -0.22 118.70 132.42 2yuo s GLU 17 Ca 0.02 -0.33 -0.31 0.00 -0.41 0.00 0.00 54.97 53.94 2yuo s GLU 17 Cb -0.22 -4.00 -0.09 0.00 -1.78 0.00 0.00 34.13 28.04 2yuo s GLU 17 CO -0.01 -1.24 1.79 -0.98 -0.49 0.00 0.00 175.26 174.34 2yuo s ARG 18 N 3.31 4.16 0.01 1.61 1.70 -1.26 -4.89 118.95 123.59 2yuo s ARG 18 Ca 0.26 2.50 0.07 0.00 -0.47 0.00 0.00 55.73 58.09 2yuo s ARG 18 Cb -0.14 -3.72 -0.23 0.00 -0.57 0.00 0.00 34.95 30.29 2yuo s ARG 18 CO 0.19 -0.83 0.88 1.12 -1.08 0.00 0.00 175.30 175.58 2yuo h HIS 19 N 8.92 0.11 -3.46 5.89 2.07 -1.95 -3.47 115.15 123.26 2yuo h HIS 19 Ca -0.45 -0.08 -0.66 0.00 -2.85 0.00 0.00 60.37 56.33 2yuo h HIS 19 Cb 1.21 -0.00 -0.16 0.00 2.57 0.00 0.00 27.41 31.03 2yuo h HIS 19 CO 0.82 1.11 -0.76 0.34 -3.07 0.00 0.00 177.93 176.37 2yuo s ASP 20 N -6.50 4.18 0.30 3.10 -1.08 -1.26 -5.02 116.67 110.38 2yuo s ASP 20 Ca -0.04 -0.50 0.05 0.00 -0.52 0.00 0.00 52.55 51.53 2yuo s ASP 20 Cb 0.08 -0.70 0.71 0.00 -1.46 0.00 0.00 42.92 41.55 2yuo s ASP 20 CO 0.83 0.16 1.77 0.44 0.52 0.00 0.00 175.17 178.88 2yuo h ASP 21 N 3.46 0.72 -0.36 -0.34 5.19 -2.04 -0.58 116.42 122.46 2yuo h ASP 21 Ca -0.49 0.10 -0.01 0.00 -0.62 0.00 0.00 57.03 56.01 2yuo h ASP 21 Cb 1.18 -0.02 -0.02 0.00 0.18 0.00 0.00 39.33 40.65 2yuo h ASP 21 CO 0.50 0.25 0.17 -2.24 -3.12 0.00 0.00 179.24 174.80 2yuo h ASP 22 N 0.72 0.47 -3.37 6.45 3.04 -1.95 -3.43 116.42 118.34 2yuo h ASP 22 Ca 0.56 -0.13 -0.56 0.00 -3.24 0.00 0.00 57.03 53.67 2yuo h ASP 22 Cb 0.88 -0.12 0.10 0.00 -1.04 0.00 0.00 39.33 39.15 2yuo h ASP 22 CO -0.39 0.46 0.64 -0.62 -2.04 0.00 0.00 179.24 177.29 2yuo n GLU 23 N -4.73 2.33 -3.46 4.15 1.02 -0.23 -2.45 120.64 117.27 2yuo n GLU 23 Ca -0.01 0.82 -0.43 0.00 -0.02 0.00 0.00 57.16 57.52 2yuo n GLU 23 Cb 0.11 -2.47 -0.09 0.00 -0.02 0.00 0.00 31.44 28.96 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 -1.04 5.23 0.55 -4.62 2.96 0.94 -4.78 118.68 117.92 2yuo s LEU 24 Ca 0.58 -1.09 -0.10 0.00 -0.22 0.00 0.00 54.13 53.30 2yuo s LEU 24 Cb -0.55 -2.14 -0.05 0.00 0.50 0.00 0.00 46.19 43.96 2yuo s LEU 24 CO 0.59 -0.51 0.93 -0.83 -1.32 0.00 0.00 176.35 175.21 2yuo s GLY 25 N 1.99 1.70 0.04 7.98 0.00 -1.26 -4.73 107.32 113.03 2yuo s GLY 25 Ca 0.04 -0.18 -0.27 0.00 0.00 0.00 0.00 44.72 44.31 2yuo s GLY 25 CO 0.08 0.05 0.81 -0.11 0.00 0.00 0.00 173.10 173.93 2yuo s PHE 26 N -2.90 -0.39 0.66 1.90 -0.12 0.69 -4.90 117.98 112.91 2yuo s PHE 26 Ca 0.53 0.23 -0.00 0.00 -0.05 0.00 0.00 56.93 57.64 2yuo s PHE 26 Cb -0.11 0.55 0.09 0.00 -0.63 0.00 0.00 43.02 42.92 2yuo s PHE 26 CO 0.46 -0.64 0.92 1.03 -0.05 0.00 0.00 175.22 176.94 2yuo s ARG 27 N -3.30 2.00 0.34 1.99 3.00 -1.26 0.14 118.95 121.87 2yuo s ARG 27 Ca 0.04 -0.96 -0.28 0.00 0.00 0.00 0.00 55.73 54.53 2yuo s ARG 27 Cb -0.01 -2.38 -0.10 0.00 0.00 0.00 0.00 34.95 32.46 2yuo s ARG 27 CO -0.10 -1.18 1.26 0.21 0.00 0.00 0.00 175.30 175.49 2yuo s LYS 28 N -5.01 4.31 -1.45 3.54 2.20 -1.22 -2.97 119.74 119.13 2yuo s LYS 28 Ca 0.63 2.09 -0.07 0.00 -0.36 0.00 0.00 55.97 58.26 2yuo s LYS 28 Cb -0.07 -2.99 0.01 0.00 -1.51 0.00 0.00 37.83 33.26 2yuo s LYS 28 CO 0.42 -0.18 0.94 0.09 -0.36 0.00 0.00 175.35 176.26 2yuo n ASN 29 N 0.67 -6.27 -4.57 1.43 3.02 0.61 -4.96 115.26 105.19 2yuo n ASN 29 Ca 0.01 -0.44 -0.34 0.00 -0.03 0.00 0.00 54.58 53.78 2yuo n ASN 29 Cb 0.43 -4.99 -0.11 0.00 -0.61 0.00 0.00 39.78 34.50 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 -3.06 5.25 0.01 6.41 1.11 -1.16 -4.80 116.67 120.44 2yuo s ASP 30 Ca 0.47 -0.01 -0.27 0.00 0.18 0.00 0.00 52.55 52.92 2yuo s ASP 30 Cb -0.21 -1.88 -0.04 0.00 1.07 0.00 0.00 42.92 41.86 2yuo s ASP 30 CO 0.58 0.17 0.85 -0.63 1.18 0.00 0.00 175.17 177.32 2yuo s ILE 31 N 0.37 4.83 -0.06 0.77 -1.09 -1.26 -0.61 121.20 124.16 2yuo s ILE 31 Ca -0.00 1.79 0.02 0.00 -2.23 0.00 0.00 60.65 60.22 2yuo s ILE 31 Cb -0.13 -4.19 0.02 0.00 -1.58 0.00 0.00 42.46 36.57 2yuo s ILE 31 CO 0.01 0.26 -0.10 -0.63 -1.23 0.00 0.00 174.94 173.26 2yuo s ILE 32 N 0.53 0.93 0.16 2.92 1.01 -0.16 -4.96 121.20 121.64 2yuo s ILE 32 Ca 0.44 -0.37 -0.30 0.00 0.00 0.00 0.00 60.65 60.42 2yuo s ILE 32 Cb -0.20 -0.87 -0.07 0.00 0.01 0.00 0.00 42.46 41.32 2yuo s ILE 32 CO 0.24 0.31 1.13 -0.89 0.00 0.00 0.00 174.94 175.73 2yuo s THR 33 N 0.70 3.84 -0.39 2.92 2.01 -1.08 -0.87 115.64 122.77 2yuo s THR 33 Ca -0.13 1.54 -0.17 0.00 0.31 0.00 0.00 61.69 63.24 2yuo s THR 33 Cb -0.15 -3.99 0.01 0.00 0.01 0.00 0.00 72.50 68.38 2yuo s THR 33 CO 0.03 0.25 0.45 -0.63 -0.69 0.00 0.00 174.62 174.02 2yuo s ILE 34 N -0.05 5.07 -0.09 1.82 1.01 0.47 0.10 121.20 129.53 2yuo s ILE 34 Ca 0.51 -0.06 -0.05 0.00 0.00 0.00 0.00 60.65 61.06 2yuo s ILE 34 Cb -0.30 -3.98 -0.02 0.00 0.01 0.00 0.00 42.46 38.17 2yuo s ILE 34 CO 0.35 -0.31 -0.09 0.40 0.00 0.00 0.00 174.94 175.28 2yuo h ILE 35 N 5.67 0.00 -3.78 2.92 1.08 -1.16 -3.32 117.51 118.91 2yuo h ILE 35 Ca -0.27 -0.66 -0.25 0.00 -0.39 0.00 0.00 64.86 63.29 2yuo h ILE 35 Cb 1.12 0.00 -0.15 0.00 -3.07 0.00 0.00 36.82 34.72 2yuo h ILE 35 CO 0.77 0.00 -0.69 -0.55 -0.69 0.00 0.00 178.15 177.00 2yuo s SER 36 N -4.90 1.19 -0.15 1.72 0.15 -0.82 -5.01 113.70 105.87 2yuo s SER 36 Ca -0.08 -1.07 0.01 0.00 0.70 0.00 0.00 55.95 55.52 2yuo s SER 36 Cb 0.01 0.10 0.00 0.00 -1.71 0.00 0.00 66.02 64.43 2yuo s SER 36 CO 0.11 -0.50 -0.19 -1.10 1.20 0.00 0.00 173.24 172.77 2yuo s GLN 37 N -3.86 3.11 -0.09 5.44 -1.52 -1.26 0.14 119.66 121.61 2yuo s GLN 37 Ca 0.16 -0.80 -0.06 0.00 -1.95 0.00 0.00 55.36 52.71 2yuo s GLN 37 Cb 0.05 -2.54 -0.02 0.00 -0.22 0.00 0.00 33.01 30.28 2yuo s GLN 37 CO -0.01 -0.01 -0.12 1.63 -0.25 0.00 0.00 175.29 176.52 2yuo n LYS 38 N 4.11 0.30 -4.53 2.91 5.02 -0.94 -4.94 118.16 120.08 2yuo n LYS 38 Ca -0.20 0.42 -0.26 0.00 -2.02 0.00 0.00 58.31 56.26 2yuo n LYS 38 Cb 0.51 -1.36 -0.09 0.00 -0.02 0.00 0.00 35.03 34.08 2yuo n LYS 38 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2yuo s ASP 39 N -4.98 2.88 0.24 4.39 2.15 0.98 -4.99 116.67 117.35 2yuo s ASP 39 Ca -0.10 -1.61 -0.05 0.00 0.43 0.00 0.00 52.55 51.22 2yuo s ASP 39 Cb 0.01 0.37 0.27 0.00 -0.30 0.00 0.00 42.92 43.27 2yuo s ASP 39 CO 0.15 -0.85 1.82 -0.08 -0.17 0.00 0.00 175.17 176.04 2yuo h GLU 40 N 1.80 1.08 -0.41 4.34 4.81 -2.01 -2.56 114.58 121.64 2yuo h GLU 40 Ca -0.38 -0.18 -0.02 0.00 -0.13 0.00 0.00 59.36 58.65 2yuo h GLU 40 Cb 1.27 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 30.46 2yuo h GLU 40 CO 0.62 0.87 0.02 0.72 -0.73 0.00 0.00 179.01 180.51 2yuo n HIS 41 N -4.29 1.45 -3.42 0.92 8.25 -1.26 -4.70 115.22 112.17 2yuo n HIS 41 Ca 0.07 -0.87 -0.14 0.00 -0.26 0.00 0.00 57.72 56.51 2yuo n HIS 41 Cb 0.18 -0.42 -0.10 0.00 1.12 0.00 0.00 29.99 30.77 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 2.42 2.33 -0.22 0.00 0.51 -0.33 -0.01 118.94 123.63 2yuo s TRP 43 Ca 0.10 -0.34 -0.04 0.00 -2.12 0.00 0.00 56.10 53.70 2yuo s TRP 43 Cb -0.15 -1.09 -0.01 0.00 -0.81 0.00 0.00 33.47 31.41 2yuo s TRP 43 CO -0.17 0.59 -0.04 0.08 -0.51 0.00 0.00 176.95 176.90 2yuo s VAL 44 N -2.02 3.33 0.00 4.03 1.01 0.12 -1.00 120.40 125.87 2yuo s VAL 44 Ca 0.25 -0.53 0.00 0.00 0.00 0.00 0.00 61.98 61.70 2yuo s VAL 44 Cb -0.07 -2.53 0.00 0.00 0.00 0.00 0.00 36.38 33.79 2yuo s VAL 44 CO 0.12 0.41 0.00 0.61 0.00 0.00 0.00 175.10 176.24 2yuo n GLY 45 N 4.79 5.04 2.80 4.51 0.00 -1.02 -0.63 105.19 120.67 2yuo n GLY 45 Ca -0.18 -2.03 -0.19 0.00 0.00 0.00 0.00 46.02 43.62 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 -1.15 0.37 -0.03 1.61 2.12 0.28 -3.38 118.70 118.52 2yuo s GLU 46 Ca 0.00 0.10 -0.24 0.00 0.36 0.00 0.00 54.97 55.19 2yuo s GLU 46 Cb 0.00 -0.63 0.05 0.00 0.26 0.00 0.00 34.13 33.81 2yuo s GLU 46 CO 0.00 -0.19 0.53 -1.17 -0.54 0.00 0.00 175.26 173.89 2yuo s LEU 47 N 1.36 -0.06 -0.87 2.70 2.96 -0.83 -2.63 118.68 121.32 2yuo s LEU 47 Ca -0.05 0.46 0.00 0.00 -0.22 0.00 0.00 54.13 54.32 2yuo s LEU 47 Cb -0.13 2.03 0.00 0.00 0.50 0.00 0.00 46.19 48.59 2yuo s LEU 47 CO -0.02 -0.55 0.00 0.59 -1.32 0.00 0.00 176.35 175.05 2yuo n ASN 48 N 1.03 -3.38 -1.37 3.68 3.02 -1.26 0.32 115.26 117.30 2yuo n ASN 48 Ca -0.20 0.25 -0.11 0.00 -0.03 0.00 0.00 54.58 54.49 2yuo n ASN 48 Cb 0.57 -2.91 0.01 0.00 -0.61 0.00 0.00 39.78 36.84 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 -0.74 0.02 3.33 7.41 0.00 -1.26 -5.03 105.19 108.92 2yuo n GLY 49 Ca -0.12 -0.40 -0.17 0.00 0.00 0.00 0.00 46.02 45.33 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 -3.21 2.30 -0.21 0.99 1.43 0.15 -5.14 118.68 114.99 2yuo s LEU 50 Ca 0.07 -1.17 -0.04 0.00 -1.03 0.00 0.00 54.13 51.96 2yuo s LEU 50 Cb -0.03 -0.35 0.08 0.00 0.03 0.00 0.00 46.19 45.92 2yuo s LEU 50 CO 0.09 -0.45 0.16 -0.13 0.23 0.00 0.00 176.35 176.25 2yuo s ARG 51 N -3.82 0.14 0.18 1.70 0.52 -1.26 -1.96 118.95 114.46 2yuo s ARG 51 Ca 0.26 -0.05 -0.02 0.00 -0.52 0.00 0.00 55.73 55.41 2yuo s ARG 51 Cb 0.05 -1.43 0.01 0.00 0.52 0.00 0.00 34.95 34.09 2yuo s ARG 51 CO 0.08 -0.74 0.27 0.41 0.02 0.00 0.00 175.30 175.34 2yuo n GLY 52 N 5.29 2.45 3.97 -3.53 0.00 -1.22 -5.00 105.19 107.15 2yuo n GLY 52 Ca -0.06 -1.45 -0.22 0.00 0.00 0.00 0.00 46.02 44.29 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 -4.17 2.93 -0.22 1.61 1.48 -1.03 -2.44 118.94 117.12 2yuo s TRP 53 Ca 0.14 0.06 -0.31 0.00 -1.06 0.00 0.00 56.10 54.93 2yuo s TRP 53 Cb -0.01 -2.68 0.16 0.00 -1.16 0.00 0.00 33.47 29.78 2yuo s TRP 53 CO 0.10 -0.79 1.20 -0.59 -4.06 0.00 0.00 176.95 172.80 2yuo s PHE 54 N -2.74 -0.17 -0.22 1.66 -0.12 -0.17 -0.04 117.98 116.17 2yuo s PHE 54 Ca 0.56 0.26 -0.29 0.00 -0.05 0.00 0.00 56.93 57.41 2yuo s PHE 54 Cb -0.10 0.48 -0.03 0.00 -0.63 0.00 0.00 43.02 42.75 2yuo s PHE 54 CO 0.39 -0.18 1.61 -1.25 -0.05 0.00 0.00 175.22 175.74 2yuo s PRO 55 N -1.36 3.80 0.26 1.99 0.04 -1.26 -1.19 135.00 137.28 2yuo s PRO 55 Ca 0.05 1.66 -0.01 0.00 0.04 0.00 0.00 61.00 62.74 2yuo s PRO 55 Cb -0.01 -4.03 0.51 0.00 0.04 0.00 0.00 34.50 31.00 2yuo s PRO 55 CO -0.04 -1.29 1.80 0.00 0.04 0.00 0.00 177.00 177.50 2yuo h ALA 56 N 10.72 1.33 -1.01 8.56 0.00 -1.84 -0.78 119.26 136.24 2yuo h ALA 56 Ca -0.34 0.05 0.23 0.00 0.00 0.00 0.00 54.91 54.85 2yuo h ALA 56 Cb 1.15 -0.11 -0.11 0.00 0.00 0.00 0.00 17.79 18.72 2yuo h ALA 56 CO 1.00 0.05 0.61 1.57 0.00 0.00 0.00 179.25 182.48 2yuo h LYS 57 N 0.78 0.60 0.00 0.00 2.10 -1.89 0.67 116.57 118.83 2yuo h LYS 57 Ca 0.46 -0.04 -0.02 0.00 -2.00 0.00 0.00 60.65 59.06 2yuo h LYS 57 Cb 0.53 -0.14 -0.00 0.00 -0.90 0.00 0.00 32.23 31.72 2yuo h LYS 57 CO -0.30 0.40 -0.07 0.74 -2.00 0.00 0.00 179.45 178.21 2yuo h PHE 58 N 0.62 0.00 -0.73 0.07 -1.00 -1.53 -3.44 116.94 110.93 2yuo h PHE 58 Ca 0.62 0.00 -0.63 0.00 2.81 0.00 0.00 57.97 60.76 2yuo h PHE 58 Cb 1.15 0.00 -0.10 0.00 3.61 0.00 0.00 35.95 40.61 2yuo h PHE 58 CO -0.00 0.07 -0.46 0.14 -1.61 0.00 0.00 178.31 176.45 2yuo s VAL 59 N -4.57 1.55 -0.05 -0.55 -7.23 0.23 -1.86 120.40 107.92 2yuo s VAL 59 Ca -0.04 -1.81 0.02 0.00 -1.81 0.00 0.00 61.98 58.34 2yuo s VAL 59 Cb 0.15 -2.36 0.01 0.00 0.56 0.00 0.00 36.38 34.74 2yuo s VAL 59 CO 0.61 0.00 -0.10 -0.70 -0.31 0.00 0.00 175.10 174.60 2yuo s GLU 60 N -3.98 1.31 0.55 4.82 2.12 0.15 -4.86 118.70 118.82 2yuo s GLU 60 Ca 0.22 -0.33 -0.19 0.00 0.36 0.00 0.00 54.97 55.03 2yuo s GLU 60 Cb 0.02 -1.15 -0.06 0.00 0.26 0.00 0.00 34.13 33.20 2yuo s GLU 60 CO 0.12 0.04 1.13 0.08 -0.54 0.00 0.00 175.26 176.09 2yuo s VAL 61 N 0.56 3.16 0.03 3.70 1.01 -1.26 -0.33 120.40 127.28 2yuo s VAL 61 Ca -0.10 0.72 0.05 0.00 0.00 0.00 0.00 61.98 62.64 2yuo s VAL 61 Cb -0.13 -3.29 -0.02 0.00 0.00 0.00 0.00 36.38 32.94 2yuo s VAL 61 CO 0.02 -0.16 -0.14 -0.76 0.00 0.00 0.00 175.10 174.06 2yuo s LEU 62 N -3.83 2.16 -0.12 3.92 1.43 -1.13 -4.86 118.68 116.25 2yuo s LEU 62 Ca 0.73 -0.44 0.01 0.00 -1.03 0.00 0.00 54.13 53.40 2yuo s LEU 62 Cb -0.24 -0.60 -0.01 0.00 0.03 0.00 0.00 46.19 45.38 2yuo s LEU 62 CO 0.27 0.04 -0.17 -0.62 0.23 0.00 0.00 176.35 176.11 2yuo s ASP 63 N -1.07 3.72 -0.02 2.29 -1.08 -1.26 -4.60 116.67 114.64 2yuo s ASP 63 Ca 0.02 -0.40 -0.01 0.00 -0.52 0.00 0.00 52.55 51.64 2yuo s ASP 63 Cb -0.08 -1.55 -0.01 0.00 -1.46 0.00 0.00 42.92 39.83 2yuo s ASP 63 CO 0.01 0.16 -0.03 -0.62 0.52 0.00 0.00 175.17 175.22 2yuo n GLU 64 N 3.52 0.05 -0.33 4.34 4.71 -1.26 -4.51 120.64 127.15 2yuo n GLU 64 Ca -0.18 0.02 -0.01 0.00 -0.01 0.00 0.00 57.16 56.97 2yuo n GLU 64 Cb 0.53 -0.67 0.05 0.00 -1.01 0.00 0.00 31.44 30.34 2yuo n GLU 64 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2yuo h ARG 65 N -0.06 -0.04 -0.04 3.49 2.47 -1.97 0.96 114.38 119.18 2yuo h ARG 65 Ca -0.05 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.67 2yuo h ARG 65 Cb 1.05 0.01 -0.00 0.00 -1.65 0.00 0.00 29.97 29.38 2yuo h ARG 65 CO -0.03 -0.03 0.03 1.03 0.56 0.00 0.00 179.97 181.53 2yuo h SER 66 N -0.04 0.05 -5.55 7.04 0.87 -2.01 -3.47 113.55 110.45 2yuo h SER 66 Ca 0.34 -0.00 -0.36 0.00 -1.23 0.00 0.00 61.79 60.53 2yuo h SER 66 Cb 0.60 -0.01 0.14 0.00 -0.44 0.00 0.00 62.40 62.68 2yuo h SER 66 CO -0.90 0.04 -0.66 1.17 -0.53 0.00 0.00 176.83 175.95 2yuo n LYS 67 N -5.06 -7.29 -1.64 2.24 4.81 0.33 -4.88 118.16 106.66 2yuo n LYS 67 Ca -0.06 0.79 -0.42 0.00 -0.87 0.00 0.00 58.31 57.74 2yuo n LYS 67 Cb 0.03 -5.69 -0.03 0.00 0.02 0.00 0.00 35.03 29.36 2yuo n LYS 67 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 2yuo n GLU 68 N -4.60 2.64 -1.93 1.64 2.13 -1.26 -4.85 120.64 114.42 2yuo n GLU 68 Ca -0.05 0.92 -0.23 0.00 0.66 0.00 0.00 57.16 58.46 2yuo n GLU 68 Cb 0.58 -3.08 -0.06 0.00 0.27 0.00 0.00 31.44 29.15 2yuo n GLU 68 CO 0.00 0.00 0.00 0.71 -0.41 0.00 0.00 177.13 177.43 2yuo s TYR 69 N 5.49 1.65 0.93 4.31 1.51 -1.26 -4.94 117.35 125.03 2yuo s TYR 69 Ca 0.92 0.98 -0.10 0.00 -1.01 0.00 0.00 57.07 57.86 2yuo s TYR 69 Cb -0.41 -3.88 0.15 0.00 -0.11 0.00 0.00 41.96 37.72 2yuo s TYR 69 CO 0.40 -1.64 1.14 -1.12 -1.11 0.00 0.00 175.55 173.21 2yuo s SER 70 N 8.62 2.82 0.87 2.29 0.01 -1.26 -5.00 113.70 122.03 2yuo s SER 70 Ca 0.75 2.12 -0.12 0.00 1.31 0.00 0.00 55.95 60.02 2yuo s SER 70 Cb -0.08 -2.55 0.11 0.00 0.21 0.00 0.00 66.02 63.72 2yuo s SER 70 CO 0.03 -3.16 1.15 0.27 0.41 0.00 0.00 173.24 171.94 2yuo s ILE 71 N -2.65 2.10 -0.20 1.44 -4.36 -1.26 -5.10 121.20 111.18 2yuo s ILE 71 Ca 0.67 0.03 -0.27 0.00 -0.26 0.00 0.00 60.65 60.82 2yuo s ILE 71 Cb -0.23 -2.87 0.08 0.00 1.25 0.00 0.00 42.46 40.69 2yuo s ILE 71 CO 0.58 -0.04 0.79 0.00 0.24 0.00 0.00 174.94 176.51 2yuo s ALA 72 N -3.37 -1.82 -0.13 2.27 0.00 -1.26 -5.13 121.76 112.32 2yuo s ALA 72 Ca 0.63 1.78 -0.41 0.00 0.00 0.00 0.00 51.96 53.95 2yuo s ALA 72 Cb -0.13 -0.87 -0.19 0.00 0.00 0.00 0.00 23.12 21.92 2yuo s ALA 72 CO 0.52 -0.33 1.31 0.43 0.00 0.00 0.00 175.76 177.69 2yuo n SER 73 N 1.96 0.79 0.00 0.00 7.64 -1.26 -4.93 113.62 117.83 2yuo n SER 73 Ca -0.15 1.15 0.00 0.00 1.01 0.00 0.00 58.87 60.89 2yuo n SER 73 Cb 0.56 -0.98 0.00 0.00 -1.01 0.00 0.00 64.21 62.78 2yuo n SER 73 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2yuo n GLY 74 N 2.53 1.35 3.77 0.23 0.00 -1.26 -4.93 105.19 106.89 2yuo n GLY 74 Ca 0.23 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.04 3.38 0.02 1.61 0.04 -1.26 -5.05 135.00 133.70 2yuo s PRO 75 Ca 0.00 1.62 0.04 0.00 0.04 0.00 0.00 61.00 62.70 2yuo s PRO 75 Cb 0.00 -2.02 -0.03 0.00 0.04 0.00 0.00 34.50 32.48 2yuo s PRO 75 CO 0.00 -0.83 -0.07 0.45 0.04 0.00 0.00 177.00 176.59 2yuo s SER 76 N -1.76 4.62 0.11 6.66 0.15 -1.26 -5.03 113.70 117.19 2yuo s SER 76 Ca 0.72 -0.18 0.00 0.00 0.70 0.00 0.00 55.95 57.19 2yuo s SER 76 Cb -0.24 -1.05 0.00 0.00 -1.71 0.00 0.00 66.02 63.02 2yuo s SER 76 CO 0.27 0.26 0.00 -1.20 1.20 0.00 0.00 173.24 173.77 2yuo n SER 77 N 1.36 1.03 0.00 5.45 7.64 -1.26 -5.31 113.62 122.53 2yuo n SER 77 Ca -0.15 0.16 0.00 0.00 1.01 0.00 0.00 58.87 59.90 2yuo n SER 77 Cb 0.52 -0.29 0.00 0.00 -1.01 0.00 0.00 64.21 63.44 2yuo n SER 77 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64