#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ywu n SER 2 N 0.00 0.20 0.00 7.83 7.64 -1.26 -4.87 113.62 123.16 1ywu n SER 2 Ca 0.00 -1.93 0.00 0.00 1.01 0.00 0.00 58.87 57.95 1ywu n SER 2 Cb 0.00 -0.20 0.00 0.00 -1.01 0.00 0.00 64.21 63.00 1ywu n SER 2 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1ywu n ASP 3 N 0.11 0.00 -4.56 6.43 5.68 -1.26 -5.08 116.55 117.86 1ywu n ASP 3 Ca 0.01 0.00 -0.39 0.00 -0.50 0.00 0.00 54.79 53.91 1ywu n ASP 3 Cb 0.79 0.00 -0.03 0.00 -1.14 0.00 0.00 41.12 40.74 1ywu n ASP 3 CO 0.00 0.00 0.00 -1.10 -1.33 0.00 0.00 177.20 174.77 1ywu s GLN 4 N -0.27 2.66 0.05 0.11 -0.21 -1.26 -4.93 119.66 115.81 1ywu s GLN 4 Ca 0.00 1.09 -0.01 0.00 0.02 0.00 0.00 55.36 56.46 1ywu s GLN 4 Cb 0.00 -4.40 -0.04 0.00 1.00 0.00 0.00 33.01 29.57 1ywu s GLN 4 CO 0.00 -2.67 -0.03 -1.58 -2.12 0.00 0.00 175.29 168.89 1ywu s HIS 5 N 9.45 0.55 0.25 0.91 2.46 -1.26 -5.02 115.29 122.63 1ywu s HIS 5 Ca 0.80 -1.03 -0.03 0.00 0.47 0.00 0.00 55.06 55.27 1ywu s HIS 5 Cb -0.17 -0.39 0.49 0.00 -0.13 0.00 0.00 32.58 32.37 1ywu s HIS 5 CO 0.26 -0.35 1.72 -0.44 -2.47 0.00 0.00 174.74 173.46 1ywu h ASP 6 N 3.19 0.28 -3.16 9.88 3.32 -2.08 -3.32 116.42 124.53 1ywu h ASP 6 Ca -0.34 0.12 -0.56 0.00 0.02 0.00 0.00 57.03 56.26 1ywu h ASP 6 Cb 1.15 0.10 -0.05 0.00 0.22 0.00 0.00 39.33 40.74 1ywu h ASP 6 CO 0.65 0.09 1.09 -0.70 -1.72 0.00 0.00 179.24 178.65 1ywu s GLU 7 N -6.01 3.50 -0.09 3.56 2.12 -1.26 -4.84 118.70 115.69 1ywu s GLU 7 Ca -0.12 0.88 -0.12 0.00 0.36 0.00 0.00 54.97 55.97 1ywu s GLU 7 Cb 0.21 -4.06 -0.04 0.00 0.26 0.00 0.00 34.13 30.50 1ywu s GLU 7 CO 0.77 -1.66 -0.23 0.54 -0.54 0.00 0.00 175.26 174.13 1ywu n ARG 8 N 8.21 0.35 -3.64 4.30 1.74 -1.25 -4.96 116.66 121.40 1ywu n ARG 8 Ca 0.16 0.14 -0.29 0.00 -0.77 0.00 0.00 57.85 57.09 1ywu n ARG 8 Cb 0.48 -1.12 -0.15 0.00 -1.02 0.00 0.00 32.46 30.65 1ywu n ARG 8 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1ywu s ARG 9 N -2.60 0.45 0.00 5.56 1.81 -1.26 -4.98 118.95 117.93 1ywu s ARG 9 Ca -0.19 -0.73 0.16 0.00 -1.72 0.00 0.00 55.73 53.25 1ywu s ARG 9 Cb 0.03 -1.64 0.45 0.00 -0.45 0.00 0.00 34.95 33.34 1ywu s ARG 9 CO 0.29 -0.95 1.38 2.89 -0.68 0.00 0.00 175.30 178.22 1ywu n ARG 10 N 5.06 2.17 -3.45 3.54 1.85 -1.26 -4.66 116.66 119.91 1ywu n ARG 10 Ca -0.05 -1.81 -0.18 0.00 -1.00 0.00 0.00 57.85 54.82 1ywu n ARG 10 Cb 0.43 -1.39 -0.11 0.00 -1.05 0.00 0.00 32.46 30.33 1ywu n ARG 10 CO 0.00 0.00 0.00 0.12 -0.01 0.00 0.00 177.63 177.74 1ywu s PHE 11 N -1.34 -0.35 -0.85 2.89 2.19 -1.26 -5.05 117.98 114.21 1ywu s PHE 11 Ca 0.34 0.08 -0.00 0.00 0.33 0.00 0.00 56.93 57.68 1ywu s PHE 11 Cb 0.18 -0.39 0.35 0.00 -1.31 0.00 0.00 43.02 41.84 1ywu s PHE 11 CO 0.23 -0.73 1.74 0.72 1.83 0.00 0.00 175.22 179.01 1ywu n HIS 12 N 5.32 3.06 -3.79 10.12 8.25 -1.26 -4.92 115.22 132.00 1ywu n HIS 12 Ca -0.04 -2.68 -0.13 0.00 -0.26 0.00 0.00 57.72 54.61 1ywu n HIS 12 Cb 0.48 -1.00 -0.13 0.00 1.12 0.00 0.00 29.99 30.47 1ywu n HIS 12 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 1ywu s ARG 13 N -4.06 0.18 -0.90 -0.41 0.52 -1.26 -5.02 118.95 108.01 1ywu s ARG 13 Ca 0.46 0.31 -0.16 0.00 -0.52 0.00 0.00 55.73 55.82 1ywu s ARG 13 Cb 0.32 0.02 0.18 0.00 0.52 0.00 0.00 34.95 35.99 1ywu s ARG 13 CO -0.25 -0.07 0.96 0.96 0.02 0.00 0.00 175.30 176.92 1ywu s ILE 14 N 0.46 5.24 -0.66 1.52 -4.36 -1.26 -4.93 121.20 117.21 1ywu s ILE 14 Ca -0.03 -2.15 0.01 0.00 -0.26 0.00 0.00 60.65 58.21 1ywu s ILE 14 Cb -0.04 -4.62 0.16 0.00 1.25 0.00 0.00 42.46 39.21 1ywu s ILE 14 CO -0.02 -1.26 0.46 0.00 0.24 0.00 0.00 174.94 174.35 1ywu s ALA 15 N 1.21 3.66 0.35 2.27 0.00 -1.26 -4.80 121.76 123.18 1ywu s ALA 15 Ca 0.26 -3.47 -0.08 0.00 0.00 0.00 0.00 51.96 48.66 1ywu s ALA 15 Cb -0.08 -2.46 -0.06 0.00 0.00 0.00 0.00 23.12 20.52 1ywu s ALA 15 CO -0.09 -2.09 0.67 -0.59 0.00 0.00 0.00 175.76 173.67 1ywu s PHE 16 N -0.61 3.47 -0.92 0.00 -0.12 -1.26 -5.00 117.98 113.55 1ywu s PHE 16 Ca 0.20 0.89 -0.24 0.00 -0.05 0.00 0.00 56.93 57.72 1ywu s PHE 16 Cb -0.17 -2.31 0.03 0.00 -0.63 0.00 0.00 43.02 39.95 1ywu s PHE 16 CO -0.06 0.03 1.48 0.16 -0.05 0.00 0.00 175.22 176.77 1ywu s ASP 17 N -3.09 6.22 0.22 1.98 3.84 -1.26 -4.93 116.67 119.64 1ywu s ASP 17 Ca 0.48 -1.03 0.01 0.00 -0.00 0.00 0.00 52.55 52.01 1ywu s ASP 17 Cb -0.10 -2.56 -0.05 0.00 -1.38 0.00 0.00 42.92 38.82 1ywu s ASP 17 CO 0.30 -1.76 0.07 0.00 -0.00 0.00 0.00 175.17 173.77 1ywu s ALA 18 N 5.89 1.49 -0.17 2.11 0.00 -1.26 -5.03 121.76 124.79 1ywu s ALA 18 Ca 0.47 -1.74 -0.08 0.00 0.00 0.00 0.00 51.96 50.61 1ywu s ALA 18 Cb -0.03 0.91 -0.04 0.00 0.00 0.00 0.00 23.12 23.95 1ywu s ALA 18 CO -0.01 -0.43 0.11 0.34 0.00 0.00 0.00 175.76 175.77 1ywu s ASP 19 N -3.24 6.11 -0.10 0.00 2.15 -1.16 -4.93 116.67 115.50 1ywu s ASP 19 Ca 0.33 0.27 -0.00 0.00 0.43 0.00 0.00 52.55 53.57 1ywu s ASP 19 Cb 0.07 -2.03 0.02 0.00 -0.30 0.00 0.00 42.92 40.68 1ywu s ASP 19 CO 0.10 0.25 -0.06 -0.55 -0.17 0.00 0.00 175.17 174.74 1ywu s SER 20 N -0.09 1.94 -0.08 -0.34 0.15 -1.26 0.01 113.70 114.03 1ywu s SER 20 Ca 0.09 -0.24 0.01 0.00 0.70 0.00 0.00 55.95 56.51 1ywu s SER 20 Cb -0.12 -0.73 -0.03 0.00 -1.71 0.00 0.00 66.02 63.44 1ywu s SER 20 CO 0.00 -0.12 -0.09 -1.61 1.20 0.00 0.00 173.24 172.62 1ywu s GLU 21 N 1.62 2.85 -0.21 5.44 2.02 -0.77 -0.43 118.70 129.23 1ywu s GLU 21 Ca 0.02 -0.60 -0.04 0.00 0.02 0.00 0.00 54.97 54.37 1ywu s GLU 21 Cb -0.13 -2.57 -0.01 0.00 0.10 0.00 0.00 34.13 31.52 1ywu s GLU 21 CO -0.06 0.56 -0.03 0.42 0.02 0.00 0.00 175.26 176.17 1ywu s ILE 22 N -0.53 3.59 0.49 -1.63 1.01 0.49 -0.42 121.20 124.21 1ywu s ILE 22 Ca 0.08 -0.43 0.05 0.00 0.00 0.00 0.00 60.65 60.35 1ywu s ILE 22 Cb -0.12 -2.63 -0.00 0.00 0.01 0.00 0.00 42.46 39.72 1ywu s ILE 22 CO 0.02 0.42 0.21 -0.76 0.00 0.00 0.00 174.94 174.84 1ywu s LEU 23 N 1.28 2.70 -0.32 2.97 1.43 0.52 -1.41 118.68 125.84 1ywu s LEU 23 Ca 0.03 -1.32 0.16 0.00 -1.03 0.00 0.00 54.13 51.97 1ywu s LEU 23 Cb -0.14 -1.12 0.44 0.00 0.03 0.00 0.00 46.19 45.40 1ywu s LEU 23 CO -0.01 -0.86 1.40 0.00 0.23 0.00 0.00 176.35 177.12 1ywu n GLN 24 N -1.45 1.47 0.00 1.70 -0.00 -0.80 -0.83 117.38 117.48 1ywu n GLN 24 Ca -0.07 -1.96 0.00 0.00 -0.00 0.00 0.00 57.00 54.97 1ywu n GLN 24 Cb 0.65 -0.23 0.00 0.00 -0.00 0.00 0.00 30.24 30.66 1ywu n GLN 24 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1ywu n GLY 25 N -1.22 1.70 0.77 2.61 0.00 -1.26 -4.49 105.19 103.31 1ywu n GLY 25 Ca -0.10 -0.25 -0.02 0.00 0.00 0.00 0.00 46.02 45.65 1ywu n GLY 25 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1ywu n GLU 26 N 0.00 0.05 -2.98 1.61 2.13 -1.26 -5.04 120.64 115.16 1ywu n GLU 26 Ca 0.00 0.02 -0.33 0.00 0.66 0.00 0.00 57.16 57.51 1ywu n GLU 26 Cb 0.00 -0.66 -0.07 0.00 0.27 0.00 0.00 31.44 30.98 1ywu n GLU 26 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 1ywu s ARG 27 N -2.04 4.12 -0.03 5.31 0.52 -1.26 -5.08 118.95 120.49 1ywu s ARG 27 Ca -0.03 0.90 -0.01 0.00 -0.52 0.00 0.00 55.73 56.07 1ywu s ARG 27 Cb 0.01 -2.31 0.03 0.00 0.52 0.00 0.00 34.95 33.20 1ywu s ARG 27 CO 0.04 0.07 0.06 -0.98 0.02 0.00 0.00 175.30 174.51 1ywu s ARG 28 N -3.07 0.00 -0.05 3.54 1.70 -1.26 -1.90 118.95 117.92 1ywu s ARG 28 Ca 0.58 0.21 -0.03 0.00 -0.47 0.00 0.00 55.73 56.02 1ywu s ARG 28 Cb -0.10 -0.19 0.03 0.00 -0.57 0.00 0.00 34.95 34.12 1ywu s ARG 28 CO 0.15 -0.14 0.12 1.67 -1.08 0.00 0.00 175.30 176.02 1ywu s TRP 29 N 0.92 -0.13 -0.05 5.89 -2.14 -0.50 -4.99 118.94 117.94 1ywu s TRP 29 Ca -0.08 0.38 -0.24 0.00 2.66 0.00 0.00 56.10 58.83 1ywu s TRP 29 Cb -0.10 -0.05 -0.04 0.00 -3.10 0.00 0.00 33.47 30.18 1ywu s TRP 29 CO -0.03 -0.12 0.72 -2.00 -2.66 0.00 0.00 176.95 172.86 1ywu s GLU 30 N 0.72 4.45 0.09 3.25 -6.30 -1.26 -0.38 118.70 119.27 1ywu s GLU 30 Ca -0.06 0.93 0.03 0.00 -2.50 0.00 0.00 54.97 53.38 1ywu s GLU 30 Cb -0.07 -3.44 -0.03 0.00 0.00 0.00 0.00 34.13 30.58 1ywu s GLU 30 CO -0.03 0.09 -0.09 0.54 0.02 0.00 0.00 175.26 175.78 1ywu s VAL 31 N 0.70 0.85 0.08 3.70 0.11 0.43 -4.97 120.40 121.31 1ywu s VAL 31 Ca 0.38 -1.59 -0.15 0.00 -2.93 0.00 0.00 61.98 57.69 1ywu s VAL 31 Cb -0.18 -1.29 -0.06 0.00 -1.53 0.00 0.00 36.38 33.31 1ywu s VAL 31 CO 0.19 -0.57 0.50 -0.76 -3.33 0.00 0.00 175.10 171.13 1ywu s LEU 32 N -2.39 4.43 0.40 2.54 1.02 -1.26 -4.16 118.68 119.27 1ywu s LEU 32 Ca 0.04 1.07 -0.24 0.00 0.02 0.00 0.00 54.13 55.02 1ywu s LEU 32 Cb -0.03 -2.94 -0.09 0.00 0.02 0.00 0.00 46.19 43.15 1ywu s LEU 32 CO -0.01 0.22 1.05 -0.22 0.02 0.00 0.00 176.35 177.42 1ywu s LEU 33 N -1.47 4.14 0.00 1.79 2.96 -1.26 -3.42 118.68 121.42 1ywu s LEU 33 Ca 0.31 2.04 0.00 0.00 -0.22 0.00 0.00 54.13 56.26 1ywu s LEU 33 Cb -0.17 -4.18 0.00 0.00 0.50 0.00 0.00 46.19 42.34 1ywu s LEU 33 CO 0.17 -0.49 0.00 1.41 -1.32 0.00 0.00 176.35 176.12 1ywu n HIS 34 N -0.07 0.00 -3.70 5.38 8.25 -0.98 -4.90 115.22 119.20 1ywu n HIS 34 Ca 0.05 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.42 1ywu n HIS 34 Cb 0.50 0.22 -0.03 0.00 1.12 0.00 0.00 29.99 31.80 1ywu n HIS 34 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1ywu s ASP 35 N -4.80 -0.35 -0.28 0.41 3.68 -0.85 -4.02 116.67 110.47 1ywu s ASP 35 Ca 0.00 -0.40 -0.24 0.00 2.13 0.00 0.00 52.55 54.04 1ywu s ASP 35 Cb 0.00 0.64 0.09 0.00 -1.45 0.00 0.00 42.92 42.20 1ywu s ASP 35 CO 0.00 -1.14 0.83 0.54 0.13 0.00 0.00 175.17 175.53 1ywu s VAL 36 N -3.86 0.00 0.15 1.11 0.11 -1.26 -0.63 120.40 116.03 1ywu s VAL 36 Ca 0.08 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.13 1ywu s VAL 36 Cb -0.03 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.82 1ywu s VAL 36 CO -0.02 0.00 0.00 -1.54 -3.33 0.00 0.00 175.10 170.21 1ywu n SER 37 N 2.66 2.41 -0.29 3.54 3.41 0.06 -4.54 113.62 120.88 1ywu n SER 37 Ca -0.14 -1.67 0.13 0.00 -0.26 0.00 0.00 58.87 56.93 1ywu n SER 37 Cb 0.56 0.11 0.63 0.00 -0.26 0.00 0.00 64.21 65.24 1ywu n SER 37 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 1ywu n LEU 38 N 0.00 0.88 -0.13 1.04 0.00 0.23 -3.93 117.00 115.09 1ywu n LEU 38 Ca -0.06 -0.32 -0.25 0.00 0.00 0.00 0.00 56.01 55.38 1ywu n LEU 38 Cb 0.19 -0.02 -0.10 0.00 0.00 0.00 0.00 43.42 43.50 1ywu n LEU 38 CO 0.10 0.16 -1.37 1.41 0.00 0.00 0.00 177.39 177.70 1ywu n HIS 39 N -0.28 0.00 -3.15 1.96 -0.00 -1.26 -4.95 115.22 107.53 1ywu n HIS 39 Ca 0.19 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.91 1ywu n HIS 39 Cb 0.24 -0.93 0.00 0.00 -0.00 0.00 0.00 29.99 29.29 1ywu n HIS 39 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1ywu n GLY 40 N 1.62 1.64 3.20 -1.41 0.00 -1.25 -0.30 105.19 108.69 1ywu n GLY 40 Ca -0.49 -0.92 -0.22 0.00 0.00 0.00 0.00 46.02 44.39 1ywu n GLY 40 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1ywu s ILE 41 N -2.71 1.36 -0.19 -0.61 2.07 -0.34 -0.76 121.20 120.02 1ywu s ILE 41 Ca 0.00 -1.14 -0.01 0.00 -1.41 0.00 0.00 60.65 58.09 1ywu s ILE 41 Cb 0.00 -1.22 0.00 0.00 0.13 0.00 0.00 42.46 41.38 1ywu s ILE 41 CO 0.00 0.05 -0.13 -0.22 -1.91 0.00 0.00 174.94 172.73 1ywu s LEU 42 N -1.27 2.48 0.31 8.50 2.96 0.20 -0.63 118.68 131.24 1ywu s LEU 42 Ca 0.04 -0.51 0.03 0.00 -0.22 0.00 0.00 54.13 53.47 1ywu s LEU 42 Cb -0.09 -1.59 -0.06 0.00 0.50 0.00 0.00 46.19 44.95 1ywu s LEU 42 CO 0.02 0.01 0.07 0.68 -1.32 0.00 0.00 176.35 175.81 1ywu s VAL 43 N 1.24 1.05 -0.29 1.68 -7.23 -0.09 -2.00 120.40 114.77 1ywu s VAL 43 Ca 0.03 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.18 1ywu s VAL 43 Cb -0.14 -2.76 0.04 0.00 0.56 0.00 0.00 36.38 34.08 1ywu s VAL 43 CO -0.06 0.00 -0.01 -0.83 -0.31 0.00 0.00 175.10 173.88 1ywu s GLY 44 N -3.45 1.73 -0.21 2.32 0.00 -1.22 -0.83 107.32 105.65 1ywu s GLY 44 Ca 0.37 -1.68 0.01 0.00 0.00 0.00 0.00 44.72 43.42 1ywu s GLY 44 CO 0.15 0.65 -0.10 1.62 0.00 0.00 0.00 173.10 175.43 1ywu s GLN 45 N 1.28 2.02 -0.18 2.90 0.74 -0.05 -4.40 119.66 121.96 1ywu s GLN 45 Ca -0.04 -0.92 0.02 0.00 0.05 0.00 0.00 55.36 54.47 1ywu s GLN 45 Cb -0.19 -2.50 0.28 0.00 1.10 0.00 0.00 33.01 31.70 1ywu s GLN 45 CO -0.02 -0.46 1.37 -0.35 -0.55 0.00 0.00 175.29 175.28 1ywu n PRO 46 N 4.65 1.52 -0.63 1.67 -0.04 -1.26 -4.74 135.00 136.17 1ywu n PRO 46 Ca -0.14 -1.23 0.00 0.00 -0.04 0.00 0.00 63.50 62.08 1ywu n PRO 46 Cb 0.46 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 32.43 1ywu n PRO 46 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 1ywu n GLN 47 N -0.17 2.64 -4.41 0.54 7.27 -1.26 -5.17 117.38 116.83 1ywu n GLN 47 Ca 0.24 0.00 -0.23 0.00 0.07 0.00 0.00 57.00 57.08 1ywu n GLN 47 Cb 0.98 0.00 -0.08 0.00 2.41 0.00 0.00 30.24 33.55 1ywu n GLN 47 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 1ywu s ASP 48 N -0.43 2.35 0.46 1.69 -1.08 -1.26 -5.13 116.67 113.27 1ywu s ASP 48 Ca 0.00 -1.76 0.06 0.00 -0.52 0.00 0.00 52.55 50.33 1ywu s ASP 48 Cb 0.00 0.59 -0.02 0.00 -1.46 0.00 0.00 42.92 42.02 1ywu s ASP 48 CO 0.00 -1.03 0.21 0.26 0.52 0.00 0.00 175.17 175.13 1ywu s TRP 49 N -3.29 2.27 0.00 -5.34 0.52 -1.26 -5.10 118.94 106.75 1ywu s TRP 49 Ca 0.31 -0.70 0.00 0.00 0.02 0.00 0.00 56.10 55.73 1ywu s TRP 49 Cb 0.02 -1.90 0.00 0.00 -1.15 0.00 0.00 33.47 30.43 1ywu s TRP 49 CO 0.22 0.03 0.00 0.09 0.02 0.00 0.00 176.95 177.31 1ywu n ASN 50 N -1.37 0.00 0.15 2.95 3.02 -1.26 -5.02 115.26 113.74 1ywu n ASN 50 Ca -0.04 0.32 0.00 0.00 -0.03 0.00 0.00 54.58 54.83 1ywu n ASN 50 Cb 0.65 -0.37 0.00 0.00 -0.61 0.00 0.00 39.78 39.44 1ywu n ASN 50 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ywu n GLY 51 N 2.07 -0.53 3.09 7.41 0.00 -1.26 -5.14 105.19 110.82 1ywu n GLY 51 Ca 0.00 0.05 -0.14 0.00 0.00 0.00 0.00 46.02 45.94 1ywu n GLY 51 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ywu s ASP 52 N -4.53 1.01 0.00 1.61 1.01 -1.26 -5.01 116.67 109.49 1ywu s ASP 52 Ca 0.00 -0.59 0.00 0.00 0.71 0.00 0.00 52.55 52.67 1ywu s ASP 52 Cb 0.00 0.03 0.00 0.00 1.01 0.00 0.00 42.92 43.96 1ywu s ASP 52 CO 0.00 -0.20 0.60 -0.81 0.21 0.00 0.00 175.17 174.96 1ywu n PRO 53 N 1.32 0.95 -0.05 8.23 -0.04 -1.26 -3.26 135.00 140.90 1ywu n PRO 53 Ca -0.22 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.36 1ywu n PRO 53 Cb 0.55 -1.36 0.42 0.00 -0.04 0.00 0.00 33.50 33.07 1ywu n PRO 53 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1ywu n GLN 54 N -0.11 1.77 -3.85 0.54 6.02 -1.26 -4.08 117.38 116.41 1ywu n GLN 54 Ca 0.00 -1.15 -0.36 0.00 -0.01 0.00 0.00 57.00 55.49 1ywu n GLN 54 Cb 0.18 -1.44 -0.12 0.00 1.02 0.00 0.00 30.24 29.88 1ywu n GLN 54 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1ywu s ARG 55 N -1.88 3.76 -0.01 -1.09 1.81 -1.20 -5.05 118.95 115.29 1ywu s ARG 55 Ca 0.35 -0.43 -0.38 0.00 -1.72 0.00 0.00 55.73 53.54 1ywu s ARG 55 Cb 0.19 -3.30 -0.17 0.00 -0.45 0.00 0.00 34.95 31.22 1ywu s ARG 55 CO 0.30 -0.04 1.35 -2.30 -0.68 0.00 0.00 175.30 173.93 1ywu n PRO 56 N 4.49 0.84 -4.28 3.54 -0.02 -1.26 -4.85 135.00 133.46 1ywu n PRO 56 Ca -0.16 0.30 -0.35 0.00 -2.02 0.00 0.00 63.50 61.28 1ywu n PRO 56 Cb 0.52 -1.92 -0.10 0.00 -0.02 0.00 0.00 33.50 31.99 1ywu n PRO 56 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 1ywu s PHE 57 N 0.93 3.19 -0.24 6.00 0.08 0.22 -4.45 117.98 123.70 1ywu s PHE 57 Ca 0.89 0.12 0.02 0.00 0.12 0.00 0.00 56.93 58.08 1ywu s PHE 57 Cb -1.07 -1.88 0.05 0.00 -0.57 0.00 0.00 43.02 39.56 1ywu s PHE 57 CO 0.53 0.35 -0.13 -1.21 -0.10 0.00 0.00 175.22 174.67 1ywu s GLU 58 N -0.48 2.42 -0.26 0.44 2.02 -0.01 -0.53 118.70 122.30 1ywu s GLU 58 Ca 0.09 -1.21 -0.13 0.00 0.02 0.00 0.00 54.97 53.73 1ywu s GLU 58 Cb -0.12 -2.80 -0.04 0.00 0.10 0.00 0.00 34.13 31.26 1ywu s GLU 58 CO 0.02 -0.48 0.30 0.00 0.02 0.00 0.00 175.26 175.12 1ywu s ALA 59 N 1.15 3.56 -0.22 5.21 0.00 -0.83 -0.36 121.76 130.27 1ywu s ALA 59 Ca -0.05 -0.87 -0.04 0.00 0.00 0.00 0.00 51.96 50.99 1ywu s ALA 59 Cb -0.18 -2.59 -0.01 0.00 0.00 0.00 0.00 23.12 20.34 1ywu s ALA 59 CO -0.07 -0.53 -0.04 1.03 0.00 0.00 0.00 175.76 176.15 1ywu s ARG 60 N 1.78 3.39 -0.39 0.00 0.52 0.44 -1.05 118.95 123.63 1ywu s ARG 60 Ca 0.12 -0.62 -0.15 0.00 -0.52 0.00 0.00 55.73 54.57 1ywu s ARG 60 Cb -0.15 -3.03 0.01 0.00 0.52 0.00 0.00 34.95 32.29 1ywu s ARG 60 CO 0.09 -0.20 0.29 -0.51 0.02 0.00 0.00 175.30 174.99 1ywu s LEU 61 N 1.49 4.93 -0.60 2.53 1.43 0.50 -1.85 118.68 127.11 1ywu s LEU 61 Ca 0.06 -0.75 -0.23 0.00 -1.03 0.00 0.00 54.13 52.19 1ywu s LEU 61 Cb -0.14 -2.17 0.06 0.00 0.03 0.00 0.00 46.19 43.97 1ywu s LEU 61 CO -0.03 -0.39 0.90 -0.31 0.23 0.00 0.00 176.35 176.75 1ywu s TYR 62 N 1.72 2.78 -1.42 0.29 2.02 0.10 -1.52 117.35 121.31 1ywu s TYR 62 Ca 0.06 -0.37 0.23 0.00 -0.37 0.00 0.00 57.07 56.61 1ywu s TYR 62 Cb -0.18 -4.10 0.06 0.00 -0.40 0.00 0.00 41.96 37.33 1ywu s TYR 62 CO 0.10 -1.45 1.11 -0.11 -1.57 0.00 0.00 175.55 173.64 1ywu n LEU 63 N 7.36 1.26 0.00 -1.29 -0.00 -0.98 -2.99 117.00 120.36 1ywu n LEU 63 Ca -0.02 -0.48 0.00 0.00 -0.00 0.00 0.00 56.01 55.50 1ywu n LEU 63 Cb 0.46 -0.05 0.00 0.00 -0.00 0.00 0.00 43.42 43.83 1ywu n LEU 63 CO 0.62 0.27 0.00 0.61 -0.00 0.00 0.00 177.39 178.89 1ywu n GLY 64 N 1.46 -1.34 0.23 -3.96 0.00 -1.16 -4.84 105.19 95.58 1ywu n GLY 64 Ca 0.07 -1.00 0.12 0.00 0.00 0.00 0.00 46.02 45.21 1ywu n GLY 64 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1ywu h LEU 65 N 0.00 0.00 0.00 0.99 3.38 -2.01 -3.31 115.31 114.36 1ywu h LEU 65 Ca 0.00 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.62 1ywu h LEU 65 Cb 0.00 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.69 1ywu h LEU 65 CO 0.00 0.01 -2.34 0.47 0.09 0.00 0.00 178.44 176.67 1ywu n ASP 66 N -3.10 1.78 -4.50 -0.43 9.92 -1.26 -4.83 116.55 114.13 1ywu n ASP 66 Ca 0.04 -0.10 -0.42 0.00 -0.53 0.00 0.00 54.79 53.77 1ywu n ASP 66 Cb 0.51 -0.09 -0.03 0.00 -0.64 0.00 0.00 41.12 40.87 1ywu n ASP 66 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1ywu s VAL 67 N -2.47 4.28 -0.40 2.53 1.01 -1.25 -4.96 120.40 119.15 1ywu s VAL 67 Ca -0.27 -0.97 -0.11 0.00 0.00 0.00 0.00 61.98 60.63 1ywu s VAL 67 Cb 0.08 -4.89 0.05 0.00 0.00 0.00 0.00 36.38 31.61 1ywu s VAL 67 CO 0.59 -1.70 0.25 -0.76 0.00 0.00 0.00 175.10 173.48 1ywu s LEU 68 N 3.98 4.97 -0.81 3.92 2.01 -1.26 -2.32 118.68 129.18 1ywu s LEU 68 Ca 0.37 -1.21 -0.17 0.00 0.01 0.00 0.00 54.13 53.13 1ywu s LEU 68 Cb -0.04 -2.03 0.15 0.00 0.01 0.00 0.00 46.19 44.28 1ywu s LEU 68 CO -0.06 -0.47 0.91 -0.63 1.01 0.00 0.00 176.35 177.11 1ywu s ILE 69 N 1.52 5.02 -0.21 -0.59 1.01 -0.58 -4.90 121.20 122.47 1ywu s ILE 69 Ca 0.02 -1.69 -0.09 0.00 0.00 0.00 0.00 60.65 58.90 1ywu s ILE 69 Cb -0.21 -4.61 -0.04 0.00 0.01 0.00 0.00 42.46 37.60 1ywu s ILE 69 CO 0.05 -1.27 0.10 0.00 0.00 0.00 0.00 174.94 173.83 1ywu s ARG 70 N 1.93 4.00 -0.11 2.79 1.04 -1.26 -0.37 118.95 126.97 1ywu s ARG 70 Ca 0.23 -0.32 0.02 0.00 -1.04 0.00 0.00 55.73 54.61 1ywu s ARG 70 Cb -0.11 -3.36 0.02 0.00 -2.04 0.00 0.00 34.95 29.46 1ywu s ARG 70 CO -0.05 0.16 -0.15 0.00 -0.04 0.00 0.00 175.30 175.22 1ywu s MET 71 N 0.73 2.15 -0.26 3.89 0.23 -0.22 -4.46 119.30 121.37 1ywu s MET 71 Ca 0.05 -0.54 -0.25 0.00 -1.03 0.00 0.00 55.69 53.92 1ywu s MET 71 Cb -0.13 -1.84 0.00 0.00 -1.53 0.00 0.00 34.83 31.33 1ywu s MET 71 CO 0.02 -0.07 0.88 -1.21 -2.03 0.00 0.00 175.02 172.61 1ywu s GLU 72 N 1.00 4.15 0.18 3.16 2.02 -0.84 -1.96 118.70 126.41 1ywu s GLU 72 Ca -0.06 0.97 0.05 0.00 0.02 0.00 0.00 54.97 55.95 1ywu s GLU 72 Cb -0.15 -3.66 -0.05 0.00 0.10 0.00 0.00 34.13 30.37 1ywu s GLU 72 CO -0.02 -0.59 -0.09 0.96 0.02 0.00 0.00 175.26 175.54 1ywu s ILE 73 N 2.98 1.28 -0.02 -1.63 -4.36 0.31 0.45 121.20 120.21 1ywu s ILE 73 Ca 0.37 -2.09 0.03 0.00 -0.26 0.00 0.00 60.65 58.70 1ywu s ILE 73 Cb -0.15 -1.99 -0.00 0.00 1.25 0.00 0.00 42.46 41.57 1ywu s ILE 73 CO 0.08 -0.63 -0.11 -0.94 0.24 0.00 0.00 174.94 173.58 1ywu s SER 74 N -3.23 1.39 -0.30 4.36 1.04 0.05 -0.61 113.70 116.41 1ywu s SER 74 Ca 0.20 -0.22 -0.29 0.00 0.48 0.00 0.00 55.95 56.13 1ywu s SER 74 Cb 0.02 -0.27 -0.02 0.00 0.10 0.00 0.00 66.02 65.86 1ywu s SER 74 CO 0.04 0.11 1.79 -0.22 0.98 0.00 0.00 173.24 175.94 1ywu s LEU 75 N -0.06 3.58 0.00 2.42 2.96 -1.26 -0.61 118.68 125.72 1ywu s LEU 75 Ca 0.01 1.41 0.06 0.00 -0.22 0.00 0.00 54.13 55.40 1ywu s LEU 75 Cb -0.07 -3.53 -0.05 0.00 0.50 0.00 0.00 46.19 43.05 1ywu s LEU 75 CO 0.00 -1.63 0.35 0.00 -1.32 0.00 0.00 176.35 173.75 1ywu n ALA 76 N 9.97 2.77 -2.75 5.97 0.00 -1.04 -4.82 120.51 130.61 1ywu n ALA 76 Ca 0.22 -0.25 -0.17 0.00 0.00 0.00 0.00 53.44 53.25 1ywu n ALA 76 Cb 0.46 -0.23 -0.12 0.00 0.00 0.00 0.00 19.45 19.56 1ywu n ALA 76 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.50 177.04 1ywu s TRP 77 N -1.43 1.01 -0.30 0.00 -0.00 -0.14 -4.99 118.94 113.09 1ywu s TRP 77 Ca 0.03 -0.44 -0.08 0.00 -0.00 0.00 0.00 56.10 55.61 1ywu s TRP 77 Cb 0.05 -0.58 0.16 0.00 -0.00 0.00 0.00 33.47 33.10 1ywu s TRP 77 CO 0.23 0.00 0.71 0.00 -0.00 0.00 0.00 176.95 177.89 1ywu s ALA 78 N -1.20 -2.30 -0.45 5.86 0.00 -1.26 -2.32 121.76 120.09 1ywu s ALA 78 Ca -0.04 2.09 0.06 0.00 0.00 0.00 0.00 51.96 54.07 1ywu s ALA 78 Cb -0.09 -1.99 0.22 0.00 0.00 0.00 0.00 23.12 21.25 1ywu s ALA 78 CO 0.01 -1.09 0.49 -2.13 0.00 0.00 0.00 175.76 173.04 1ywu n ARG 79 N 5.38 0.86 0.00 0.00 3.00 0.51 -5.00 116.66 121.41 1ywu n ARG 79 Ca -0.08 -3.49 0.00 0.00 -0.00 0.00 0.00 57.85 54.28 1ywu n ARG 79 Cb 0.50 -1.58 0.00 0.00 0.00 0.00 0.00 32.46 31.38 1ywu n ARG 79 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 1ywu n ASP 80 N 1.86 0.00 -0.01 6.15 2.03 -1.26 -1.20 116.55 124.12 1ywu n ASP 80 Ca 0.25 0.00 0.02 0.00 0.52 0.00 0.00 54.79 55.57 1ywu n ASP 80 Cb 0.48 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.87 1ywu n ASP 80 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1ywu n GLY 81 N 0.00 0.63 3.40 0.27 0.00 -1.26 -4.94 105.19 103.29 1ywu n GLY 81 Ca 0.00 -0.09 -0.39 0.00 0.00 0.00 0.00 46.02 45.54 1ywu n GLY 81 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ywu s LEU 82 N -2.08 4.32 0.05 0.99 1.43 -0.34 -0.87 118.68 122.17 1ywu s LEU 82 Ca 0.01 -0.76 0.09 0.00 -1.03 0.00 0.00 54.13 52.44 1ywu s LEU 82 Cb 0.02 -1.99 -0.03 0.00 0.03 0.00 0.00 46.19 44.23 1ywu s LEU 82 CO 0.13 -0.27 -0.25 -0.76 0.23 0.00 0.00 176.35 175.42 1ywu s LEU 83 N 1.57 2.17 0.01 1.79 1.02 -0.01 -0.36 118.68 124.87 1ywu s LEU 83 Ca 0.03 -0.58 0.08 0.00 0.02 0.00 0.00 54.13 53.68 1ywu s LEU 83 Cb -0.18 -1.20 -0.02 0.00 0.02 0.00 0.00 46.19 44.80 1ywu s LEU 83 CO 0.06 0.23 -0.24 -0.83 0.02 0.00 0.00 176.35 175.59 1ywu s GLY 84 N -1.26 1.24 -0.11 -3.19 0.00 -0.98 -0.91 107.32 102.11 1ywu s GLY 84 Ca 0.11 -1.12 0.03 0.00 0.00 0.00 0.00 44.72 43.74 1ywu s GLY 84 CO 0.02 -0.98 -0.21 -1.36 0.00 0.00 0.00 173.10 170.58 1ywu s PHE 85 N -0.68 2.64 -0.04 1.90 0.40 0.20 -0.97 117.98 121.44 1ywu s PHE 85 Ca 0.10 -0.97 -0.27 0.00 -0.60 0.00 0.00 56.93 55.18 1ywu s PHE 85 Cb -0.09 -1.76 -0.03 0.00 0.51 0.00 0.00 43.02 41.64 1ywu s PHE 85 CO 0.01 -0.39 0.88 -1.21 0.70 0.00 0.00 175.22 175.21 1ywu s GLU 86 N 0.41 4.49 -0.16 0.44 0.41 0.23 -1.20 118.70 123.32 1ywu s GLU 86 Ca -0.15 1.21 -0.25 0.00 -0.41 0.00 0.00 54.97 55.36 1ywu s GLU 86 Cb -0.17 -3.47 -0.02 0.00 -1.78 0.00 0.00 34.13 28.69 1ywu s GLU 86 CO 0.07 -0.05 0.83 0.00 -0.49 0.00 0.00 175.26 175.62 1ywu h GLN 88 N 7.29 0.03 -4.15 0.00 4.20 -0.31 -3.46 115.11 118.70 1ywu h GLN 88 Ca -0.30 -0.05 -0.55 0.00 0.06 0.00 0.00 58.65 57.80 1ywu h GLN 88 Cb 1.14 0.02 -0.38 0.00 0.30 0.00 0.00 27.48 28.56 1ywu h GLN 88 CO 0.83 1.03 -0.79 -1.58 -0.67 0.00 0.00 178.83 177.64 1ywu s HIS 89 N -2.36 1.68 -0.25 2.96 5.04 -1.00 -5.02 115.29 116.33 1ywu s HIS 89 Ca -0.27 -1.06 -0.03 0.00 -1.54 0.00 0.00 55.06 52.16 1ywu s HIS 89 Cb 0.05 -1.31 0.02 0.00 0.04 0.00 0.00 32.58 31.38 1ywu s HIS 89 CO 0.63 -0.61 -0.04 0.42 -2.34 0.00 0.00 174.74 172.80 1ywu s ILE 90 N 1.64 3.12 0.51 0.89 1.01 -1.26 -1.99 121.20 125.12 1ywu s ILE 90 Ca 0.01 -0.89 -0.21 0.00 0.00 0.00 0.00 60.65 59.56 1ywu s ILE 90 Cb -0.15 -2.56 -0.06 0.00 0.01 0.00 0.00 42.46 39.69 1ywu s ILE 90 CO -0.08 0.21 1.16 -1.81 0.00 0.00 0.00 174.94 174.43 1ywu s ASP 91 N 1.38 5.87 0.25 3.58 1.01 -1.26 -4.87 116.67 122.62 1ywu s ASP 91 Ca 0.01 2.27 -0.05 0.00 0.71 0.00 0.00 52.55 55.50 1ywu s ASP 91 Cb -0.16 -2.59 0.28 0.00 1.01 0.00 0.00 42.92 41.45 1ywu s ASP 91 CO -0.03 -1.12 1.84 -0.07 0.21 0.00 0.00 175.17 175.99 1ywu h LEU 92 N 1.56 1.01 -0.76 1.23 4.07 -1.99 -0.95 115.31 119.48 1ywu h LEU 92 Ca -0.50 -0.12 -0.08 0.00 0.08 0.00 0.00 57.88 57.26 1ywu h LEU 92 Cb 1.26 -0.26 -0.02 0.00 1.08 0.00 0.00 40.66 42.72 1ywu h LEU 92 CO 0.58 0.86 0.05 -0.78 -1.08 0.00 0.00 178.44 178.08 1ywu h ASP 93 N 1.10 0.96 -0.09 -0.43 3.58 -1.98 0.00 116.42 119.56 1ywu h ASP 93 Ca 0.26 -0.24 0.02 0.00 0.42 0.00 0.00 57.03 57.49 1ywu h ASP 93 Cb 0.13 -0.26 -0.02 0.00 1.72 0.00 0.00 39.33 40.91 1ywu h ASP 93 CO -0.03 0.99 -0.01 0.28 -2.88 0.00 0.00 179.24 177.58 1ywu h SER 94 N 0.93 -0.06 -0.83 2.28 0.02 -1.64 -0.11 113.55 114.13 1ywu h SER 94 Ca 0.18 0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.14 1ywu h SER 94 Cb 0.47 0.05 -0.04 0.00 0.14 0.00 0.00 62.40 63.01 1ywu h SER 94 CO 0.02 -0.02 0.47 0.40 -1.14 0.00 0.00 176.83 176.56 1ywu h ILE 95 N 0.01 1.24 -0.69 3.27 2.04 -0.95 -2.07 117.51 120.36 1ywu h ILE 95 Ca 0.04 -0.58 -0.06 0.00 1.00 0.00 0.00 64.86 65.26 1ywu h ILE 95 Cb 0.06 0.09 -0.03 0.00 -0.74 0.00 0.00 36.82 36.20 1ywu h ILE 95 CO -0.08 0.27 0.21 0.28 0.00 0.00 0.00 178.15 178.82 1ywu h SER 96 N 1.17 1.01 -0.60 1.72 0.02 -0.49 0.02 113.55 116.41 1ywu h SER 96 Ca 0.30 -0.21 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 1ywu h SER 96 Cb 0.01 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 62.25 1ywu h SER 96 CO -0.05 0.96 0.38 0.45 -1.14 0.00 0.00 176.83 177.43 1ywu h HIS 97 N 1.02 0.76 0.38 3.45 3.86 -0.57 -0.52 115.15 123.53 1ywu h HIS 97 Ca 0.22 0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.42 1ywu h HIS 97 Cb 0.32 -0.26 0.00 0.00 1.06 0.00 0.00 27.41 28.53 1ywu h HIS 97 CO 0.02 0.50 -0.18 -0.07 0.86 0.00 0.00 177.93 179.06 1ywu h LEU 98 N 0.81 -0.43 -0.54 2.43 -0.00 -0.87 -0.71 115.31 115.99 1ywu h LEU 98 Ca 0.22 0.01 0.03 0.00 -0.00 0.00 0.00 57.88 58.14 1ywu h LEU 98 Cb -0.07 0.11 -0.04 0.00 -0.00 0.00 0.00 40.66 40.67 1ywu h LEU 98 CO -0.04 -0.31 0.32 -0.09 -0.00 0.00 0.00 178.44 178.32 1ywu h ARG 99 N -0.52 0.61 -0.53 1.13 2.43 -0.84 -0.51 114.38 116.16 1ywu h ARG 99 Ca -0.05 -0.04 -0.05 0.00 -0.81 0.00 0.00 59.98 59.03 1ywu h ARG 99 Cb 0.40 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.79 1ywu h ARG 99 CO 0.09 0.40 0.14 0.00 -1.51 0.00 0.00 179.97 179.09 1ywu h ARG 100 N 0.63 0.83 -0.61 0.20 3.08 -1.01 0.15 114.38 117.66 1ywu h ARG 100 Ca 0.22 -0.19 -0.02 0.00 0.07 0.00 0.00 59.98 60.05 1ywu h ARG 100 Cb 0.04 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 29.95 1ywu h ARG 100 CO -0.11 0.79 0.28 1.25 -1.07 0.00 0.00 179.97 181.11 1ywu h LEU 101 N 0.73 0.81 -0.53 3.04 5.85 -0.69 0.12 115.31 124.64 1ywu h LEU 101 Ca 0.17 -0.14 -0.14 0.00 0.84 0.00 0.00 57.88 58.61 1ywu h LEU 101 Cb 0.32 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 1ywu h LEU 101 CO -0.00 0.72 -0.35 0.58 -0.34 0.00 0.00 178.44 179.05 1ywu h VAL 102 N 0.84 1.28 -0.25 1.05 2.07 -0.89 -2.44 116.25 117.91 1ywu h VAL 102 Ca 0.21 -1.51 -0.08 0.00 0.82 0.00 0.00 66.70 66.14 1ywu h VAL 102 Cb 0.13 1.37 -0.01 0.00 -1.52 0.00 0.00 31.29 31.27 1ywu h VAL 102 CO -0.02 0.50 -0.16 -0.08 0.02 0.00 0.00 177.57 177.82 1ywu h GLU 103 N 0.68 0.55 -0.67 1.57 4.81 -0.34 0.63 114.58 121.82 1ywu h GLU 103 Ca 0.07 -0.26 -0.04 0.00 -0.13 0.00 0.00 59.36 58.99 1ywu h GLU 103 Cb 0.90 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.25 1ywu h GLU 103 CO 0.08 0.83 0.24 -0.07 -0.73 0.00 0.00 179.01 179.37 1ywu h LEU 104 N 0.27 0.92 0.00 1.64 4.07 -0.78 -1.57 115.31 119.85 1ywu h LEU 104 Ca 0.05 -0.14 0.00 0.00 0.08 0.00 0.00 57.88 57.87 1ywu h LEU 104 Cb 0.69 -0.24 0.00 0.00 1.08 0.00 0.00 40.66 42.19 1ywu h LEU 104 CO 0.05 0.83 -0.17 0.78 -1.08 0.00 0.00 178.44 178.85 1ywu h ASN 105 N 0.97 0.00 -4.70 -0.43 2.35 -1.34 -3.47 115.58 108.96 1ywu h ASN 105 Ca 0.22 -0.01 -0.41 0.00 -0.55 0.00 0.00 56.30 55.56 1ywu h ASN 105 Cb 0.22 0.00 0.07 0.00 0.05 0.00 0.00 38.32 38.66 1ywu h ASN 105 CO -0.02 0.00 -0.62 -0.11 -1.65 0.00 0.00 177.43 175.04 1ywu n LEU 106 N -2.89 -2.80 -3.79 1.61 7.94 0.21 -4.92 117.00 112.36 1ywu n LEU 106 Ca 0.04 -0.33 -0.42 0.00 -1.11 0.00 0.00 56.01 54.19 1ywu n LEU 106 Cb 0.52 -3.00 0.01 0.00 0.53 0.00 0.00 43.42 41.48 1ywu n LEU 106 CO 0.34 0.30 1.29 0.61 -1.11 0.00 0.00 177.39 178.82 1ywu n GLY 107 N -1.61 5.71 2.39 -3.96 0.00 -0.44 -4.88 105.19 102.41 1ywu n GLY 107 Ca -0.09 -2.62 -0.03 0.00 0.00 0.00 0.00 46.02 43.27 1ywu n GLY 107 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ywu n ASP 108 N 0.55 -2.39 0.09 1.61 9.92 -1.26 -4.72 116.55 120.35 1ywu n ASP 108 Ca 0.37 1.09 -0.02 0.00 -0.53 0.00 0.00 54.79 55.71 1ywu n ASP 108 Cb 0.29 -4.41 0.24 0.00 -0.64 0.00 0.00 41.12 36.61 1ywu n ASP 108 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 1ywu h GLU 109 N 3.01 0.25 0.00 -1.24 5.08 -1.89 -2.95 114.58 116.83 1ywu h GLU 109 Ca -0.33 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 57.92 1ywu h GLU 109 Cb 0.74 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.98 1ywu h GLU 109 CO 0.03 0.59 0.00 0.39 -1.00 0.00 0.00 179.01 179.02 1ywu n GLU 110 N -4.06 0.08 -0.23 2.33 1.02 -1.26 -2.63 120.64 115.88 1ywu n GLU 110 Ca -0.01 0.23 -0.08 0.00 -0.02 0.00 0.00 57.16 57.28 1ywu n GLU 110 Cb 0.45 -1.50 0.04 0.00 -0.02 0.00 0.00 31.44 30.41 1ywu n GLU 110 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1ywu h LEU 111 N 0.00 0.98 -1.78 -4.62 6.46 -1.84 -2.59 115.31 111.92 1ywu h LEU 111 Ca 0.00 -0.23 -0.01 0.00 -0.12 0.00 0.00 57.88 57.52 1ywu h LEU 111 Cb 0.17 -0.26 -0.00 0.00 -0.73 0.00 0.00 40.66 39.84 1ywu h LEU 111 CO 0.00 0.95 -0.04 -0.07 -0.62 0.00 0.00 178.44 178.66 1ywu h LEU 112 N 0.97 0.00 -0.48 2.25 3.38 -1.73 -2.42 115.31 117.28 1ywu h LEU 112 Ca 0.21 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.11 1ywu h LEU 112 Cb 0.35 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 1ywu h LEU 112 CO 0.00 0.04 -0.33 -0.33 0.09 0.00 0.00 178.44 177.91 1ywu h GLU 113 N 0.00 0.00 -7.02 1.13 4.39 -1.64 0.68 114.58 112.13 1ywu h GLU 113 Ca -0.00 0.00 -0.51 0.00 0.34 0.00 0.00 59.36 59.19 1ywu h GLU 113 Cb 0.42 0.00 0.08 0.00 -0.10 0.00 0.00 28.75 29.14 1ywu h GLU 113 CO 0.01 0.33 0.50 1.03 -1.16 0.00 0.00 179.01 179.72 1ywu s ARG 114 N -3.29 3.61 0.54 2.33 0.52 -0.91 -4.95 118.95 116.80 1ywu s ARG 114 Ca 0.03 1.85 -0.09 0.00 -0.52 0.00 0.00 55.73 57.00 1ywu s ARG 114 Cb 0.08 -2.35 -0.04 0.00 0.52 0.00 0.00 34.95 33.16 1ywu s ARG 114 CO 0.69 -0.69 0.91 -2.00 0.02 0.00 0.00 175.30 174.22 1ywu s GLU 115 N -2.78 3.60 0.31 3.54 -6.30 -1.26 -4.63 118.70 111.19 1ywu s GLU 115 Ca 0.66 0.50 -0.00 0.00 -2.50 0.00 0.00 54.97 53.62 1ywu s GLU 115 Cb -0.30 -2.23 0.51 0.00 0.00 0.00 0.00 34.13 32.10 1ywu s GLU 115 CO 0.36 -0.36 1.97 1.25 0.02 0.00 0.00 175.26 178.50 1ywu h LEU 116 N 0.07 0.88 -1.67 2.70 5.85 -1.93 0.71 115.31 121.93 1ywu h LEU 116 Ca -0.46 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.22 1ywu h LEU 116 Cb 1.20 -0.22 -0.00 0.00 0.37 0.00 0.00 40.66 42.01 1ywu h LEU 116 CO 0.62 0.63 -0.10 0.00 -0.34 0.00 0.00 178.44 179.25 1ywu h ALA 117 N 1.52 1.09 -0.00 1.25 0.00 -2.03 -1.81 119.26 119.28 1ywu h ALA 117 Ca 0.29 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1ywu h ALA 117 Cb -0.08 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1ywu h ALA 117 CO -0.07 0.13 -0.38 1.28 0.00 0.00 0.00 179.25 180.20 1ywu n LEU 118 N -3.34 0.49 -4.39 0.00 4.77 0.14 -4.79 117.00 109.89 1ywu n LEU 118 Ca -0.01 0.04 -0.43 0.00 -0.03 0.00 0.00 56.01 55.58 1ywu n LEU 118 Cb 0.29 -0.27 -0.09 0.00 -2.33 0.00 0.00 43.42 41.03 1ywu n LEU 118 CO 0.29 0.11 -0.05 -0.76 -1.33 0.00 0.00 177.39 175.65 1ywu s LEU 119 N -2.91 5.25 0.54 2.23 1.02 -0.58 -4.88 118.68 119.35 1ywu s LEU 119 Ca 0.14 -1.18 -0.01 0.00 0.02 0.00 0.00 54.13 53.10 1ywu s LEU 119 Cb 0.18 -2.12 0.02 0.00 0.02 0.00 0.00 46.19 44.29 1ywu s LEU 119 CO 0.64 -0.53 0.79 0.54 0.02 0.00 0.00 176.35 177.81 1ywu s VAL 120 N 1.60 3.20 0.80 -1.59 0.11 -1.26 -4.94 120.40 118.32 1ywu s VAL 120 Ca 0.04 -0.46 -0.12 0.00 -2.93 0.00 0.00 61.98 58.51 1ywu s VAL 120 Cb -0.22 -3.22 0.08 0.00 -1.53 0.00 0.00 36.38 31.49 1ywu s VAL 120 CO 0.07 -0.18 1.15 -0.55 -3.33 0.00 0.00 175.10 172.25 1ywu s SER 121 N -4.35 3.86 0.32 3.54 0.15 -1.26 -4.81 113.70 111.14 1ywu s SER 121 Ca 0.54 2.13 0.09 0.00 0.70 0.00 0.00 55.95 59.41 1ywu s SER 121 Cb -0.10 -2.56 0.91 0.00 -1.71 0.00 0.00 66.02 62.56 1ywu s SER 121 CO 0.40 -2.47 1.67 0.00 1.20 0.00 0.00 173.24 174.04 1ywu h ALA 122 N -1.08 1.68 -3.30 5.45 0.00 -1.97 -3.03 119.26 117.01 1ywu h ALA 122 Ca -0.45 0.18 -0.62 0.00 0.00 0.00 0.00 54.91 54.03 1ywu h ALA 122 Cb 1.26 0.17 -0.40 0.00 0.00 0.00 0.00 17.79 18.83 1ywu h ALA 122 CO 0.47 -0.46 -0.72 -1.58 0.00 0.00 0.00 179.25 176.96 1ywu s HIS 123 N -5.78 2.61 -0.42 0.00 2.46 -1.26 -4.96 115.29 107.92 1ywu s HIS 123 Ca -0.11 -2.51 0.05 0.00 0.47 0.00 0.00 55.06 52.96 1ywu s HIS 123 Cb 0.28 -2.29 0.17 0.00 -0.13 0.00 0.00 32.58 30.61 1ywu s HIS 123 CO 0.78 -0.85 0.51 0.34 -2.47 0.00 0.00 174.74 173.05 1ywu s ASP 124 N 0.78 0.00 0.00 9.88 -1.08 -1.15 -5.19 116.67 119.91 1ywu s ASP 124 Ca 0.13 -1.74 0.00 0.00 -0.52 0.00 0.00 52.55 50.43 1ywu s ASP 124 Cb -0.21 1.01 0.00 0.00 -1.46 0.00 0.00 42.92 42.26 1ywu s ASP 124 CO -0.10 -0.17 0.00 -0.67 0.52 0.00 0.00 175.17 174.75