#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ywu h SER 2 N 0.00 -0.92 -5.02 6.12 0.02 -2.13 -3.44 113.55 108.19 1ywu h SER 2 Ca 0.00 0.16 -0.15 0.00 -0.84 0.00 0.00 61.79 60.96 1ywu h SER 2 Cb 0.00 0.43 -0.20 0.00 0.14 0.00 0.00 62.40 62.77 1ywu h SER 2 CO 0.00 -0.30 -0.61 -0.62 -1.14 0.00 0.00 176.83 174.16 1ywu s ASP 3 N -5.05 0.19 0.30 3.07 2.15 -1.26 -5.06 116.67 111.01 1ywu s ASP 3 Ca -0.15 -0.46 0.00 0.00 0.43 0.00 0.00 52.55 52.37 1ywu s ASP 3 Cb 0.13 0.16 0.00 0.00 -0.30 0.00 0.00 42.92 42.90 1ywu s ASP 3 CO 0.68 -0.38 0.00 0.00 -0.17 0.00 0.00 175.17 175.30 1ywu n GLN 4 N 1.31 0.00 0.00 4.34 -0.00 -1.26 -5.11 117.38 116.65 1ywu n GLN 4 Ca -0.22 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 56.78 1ywu n GLN 4 Cb 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 30.24 30.80 1ywu n GLN 4 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.06 177.78 1ywu n HIS 5 N -3.27 0.00 -3.84 2.61 8.25 -1.26 -4.83 115.22 112.88 1ywu n HIS 5 Ca 0.00 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1ywu n HIS 5 Cb 0.00 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.12 1ywu n HIS 5 CO 0.00 0.00 0.00 0.16 0.64 0.00 0.00 176.34 177.14 1ywu s ASP 6 N -4.00 -0.03 0.30 0.41 1.47 -1.26 -5.03 116.67 108.53 1ywu s ASP 6 Ca 0.00 -0.38 0.25 0.00 1.18 0.00 0.00 52.55 53.60 1ywu s ASP 6 Cb 0.00 0.32 1.04 0.00 -0.34 0.00 0.00 42.92 43.93 1ywu s ASP 6 CO 0.00 -0.62 1.75 -0.33 0.68 0.00 0.00 175.17 176.65 1ywu h GLU 7 N 2.00 0.00 -3.40 2.11 3.07 -2.03 -3.35 114.58 112.98 1ywu h GLU 7 Ca -0.26 0.00 -0.74 0.00 -0.50 0.00 0.00 59.36 57.86 1ywu h GLU 7 Cb 1.21 0.00 -0.11 0.00 -0.84 0.00 0.00 28.75 29.00 1ywu h GLU 7 CO 0.32 0.00 2.44 0.54 -1.40 0.00 0.00 179.01 180.91 1ywu n ARG 8 N -2.36 3.65 0.00 2.33 3.00 -1.26 -4.61 116.66 117.40 1ywu n ARG 8 Ca 0.02 -3.24 0.13 0.00 -0.01 0.00 0.00 57.85 54.75 1ywu n ARG 8 Cb 0.24 -2.93 0.68 0.00 0.00 0.00 0.00 32.46 30.45 1ywu n ARG 8 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.63 180.52 1ywu n ARG 9 N 3.88 0.38 -3.86 5.56 1.85 -1.26 -4.59 116.66 118.62 1ywu n ARG 9 Ca 0.49 0.03 -0.19 0.00 -1.00 0.00 0.00 57.85 57.18 1ywu n ARG 9 Cb 0.34 -1.50 -0.17 0.00 -1.05 0.00 0.00 32.46 30.08 1ywu n ARG 9 CO 0.00 0.00 0.00 0.50 -0.01 0.00 0.00 177.63 178.12 1ywu s ARG 10 N -2.58 0.31 -0.36 2.89 6.06 -1.26 -5.12 118.95 118.89 1ywu s ARG 10 Ca 0.25 0.13 -0.21 0.00 -2.50 0.00 0.00 55.73 53.40 1ywu s ARG 10 Cb 0.18 -0.59 0.00 0.00 0.06 0.00 0.00 34.95 34.61 1ywu s ARG 10 CO 0.41 -0.20 0.65 -0.06 -2.50 0.00 0.00 175.30 173.61 1ywu s PHE 11 N 1.39 3.14 -0.39 5.12 0.08 -1.26 -5.02 117.98 121.04 1ywu s PHE 11 Ca -0.05 0.36 -0.25 0.00 0.12 0.00 0.00 56.93 57.11 1ywu s PHE 11 Cb -0.13 -3.17 0.02 0.00 -0.57 0.00 0.00 43.02 39.17 1ywu s PHE 11 CO -0.03 -0.64 0.88 -1.58 -0.10 0.00 0.00 175.22 173.75 1ywu s HIS 12 N 2.75 3.06 0.63 0.36 5.65 -1.26 -5.04 115.29 121.44 1ywu s HIS 12 Ca 0.25 0.62 -0.09 0.00 0.25 0.00 0.00 55.06 56.09 1ywu s HIS 12 Cb -0.14 -3.63 -0.00 0.00 -1.18 0.00 0.00 32.58 27.62 1ywu s HIS 12 CO 0.15 -0.85 0.99 1.03 -0.65 0.00 0.00 174.74 175.41 1ywu s ARG 13 N 3.41 3.05 -0.71 2.88 0.52 -1.26 -4.88 118.95 121.97 1ywu s ARG 13 Ca 0.36 0.33 -0.06 0.00 -0.52 0.00 0.00 55.73 55.83 1ywu s ARG 13 Cb -0.12 -2.15 0.18 0.00 0.52 0.00 0.00 34.95 33.39 1ywu s ARG 13 CO 0.20 -0.78 0.56 0.96 0.02 0.00 0.00 175.30 176.26 1ywu s ILE 14 N -3.15 4.35 -0.29 1.52 -4.36 -1.26 -4.94 121.20 113.06 1ywu s ILE 14 Ca 0.55 -2.88 0.03 0.00 -0.26 0.00 0.00 60.65 58.10 1ywu s ILE 14 Cb -0.11 -3.77 0.08 0.00 1.25 0.00 0.00 42.46 39.91 1ywu s ILE 14 CO 0.49 -0.94 -0.05 0.00 0.24 0.00 0.00 174.94 174.69 1ywu s ALA 15 N -0.09 2.69 -0.20 2.27 0.00 -1.26 -4.58 121.76 120.59 1ywu s ALA 15 Ca 0.18 -2.06 -0.06 0.00 0.00 0.00 0.00 51.96 50.02 1ywu s ALA 15 Cb -0.16 -1.74 -0.03 0.00 0.00 0.00 0.00 23.12 21.19 1ywu s ALA 15 CO -0.05 -1.39 0.03 -0.59 0.00 0.00 0.00 175.76 173.75 1ywu s PHE 16 N 1.03 3.09 -0.71 0.00 -0.12 -1.26 -5.05 117.98 114.96 1ywu s PHE 16 Ca -0.01 -0.31 -0.27 0.00 -0.05 0.00 0.00 56.93 56.29 1ywu s PHE 16 Cb -0.20 -2.11 0.02 0.00 -0.63 0.00 0.00 43.02 40.11 1ywu s PHE 16 CO -0.06 -0.16 1.36 -0.51 -0.05 0.00 0.00 175.22 175.80 1ywu s ASP 17 N 0.94 6.05 0.20 1.98 1.11 -1.26 -4.87 116.67 120.81 1ywu s ASP 17 Ca 0.02 -0.29 0.02 0.00 0.18 0.00 0.00 52.55 52.49 1ywu s ASP 17 Cb -0.14 -2.55 -0.05 0.00 1.07 0.00 0.00 42.92 41.25 1ywu s ASP 17 CO 0.02 -1.90 0.00 0.00 1.18 0.00 0.00 175.17 174.48 1ywu s ALA 18 N 6.19 1.52 -0.29 5.23 0.00 -1.26 -5.10 121.76 128.05 1ywu s ALA 18 Ca 0.40 -1.66 -0.29 0.00 0.00 0.00 0.00 51.96 50.42 1ywu s ALA 18 Cb -0.09 0.55 -0.01 0.00 0.00 0.00 0.00 23.12 23.57 1ywu s ALA 18 CO 0.17 -0.30 1.55 0.34 0.00 0.00 0.00 175.76 177.51 1ywu s ASP 19 N -3.22 6.34 -0.28 0.00 2.15 -1.24 -4.75 116.67 115.68 1ywu s ASP 19 Ca 0.26 1.33 -0.01 0.00 0.43 0.00 0.00 52.55 54.57 1ywu s ASP 19 Cb 0.06 -2.53 0.04 0.00 -0.30 0.00 0.00 42.92 40.19 1ywu s ASP 19 CO 0.06 -1.34 -0.04 -0.55 -0.17 0.00 0.00 175.17 173.13 1ywu s SER 20 N 4.23 4.62 -0.22 -0.34 0.15 -1.26 -1.04 113.70 119.85 1ywu s SER 20 Ca 0.68 -1.16 -0.06 0.00 0.70 0.00 0.00 55.95 56.11 1ywu s SER 20 Cb -0.21 -1.67 -0.03 0.00 -1.71 0.00 0.00 66.02 62.41 1ywu s SER 20 CO 0.30 -0.20 0.02 -1.61 1.20 0.00 0.00 173.24 172.94 1ywu s GLU 21 N 1.25 3.63 -0.29 5.44 2.02 -0.87 -0.40 118.70 129.48 1ywu s GLU 21 Ca -0.04 -0.51 -0.14 0.00 0.02 0.00 0.00 54.97 54.31 1ywu s GLU 21 Cb -0.19 -3.16 -0.04 0.00 0.10 0.00 0.00 34.13 30.85 1ywu s GLU 21 CO -0.03 -0.05 0.31 0.42 0.02 0.00 0.00 175.26 175.93 1ywu s ILE 22 N 1.19 5.22 0.07 -1.63 1.01 0.45 -1.78 121.20 125.74 1ywu s ILE 22 Ca 0.03 0.33 -0.03 0.00 0.00 0.00 0.00 60.65 60.99 1ywu s ILE 22 Cb -0.14 -3.66 -0.03 0.00 0.01 0.00 0.00 42.46 38.63 1ywu s ILE 22 CO 0.02 0.15 0.04 -1.48 0.00 0.00 0.00 174.94 173.66 1ywu s LEU 23 N 1.95 2.13 -0.54 2.97 2.34 -0.37 -0.85 118.68 126.31 1ywu s LEU 23 Ca 0.12 -0.95 0.05 0.00 0.06 0.00 0.00 54.13 53.41 1ywu s LEU 23 Cb -0.16 0.42 0.19 0.00 -0.56 0.00 0.00 46.19 46.07 1ywu s LEU 23 CO 0.11 -0.65 0.46 1.67 -1.06 0.00 0.00 176.35 176.87 1ywu n GLN 24 N 0.04 1.08 0.00 1.48 7.27 0.42 -1.15 117.38 126.52 1ywu n GLN 24 Ca -0.13 -3.81 0.00 0.00 0.07 0.00 0.00 57.00 53.13 1ywu n GLN 24 Cb 0.62 -1.91 0.00 0.00 2.41 0.00 0.00 30.24 31.36 1ywu n GLN 24 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1ywu n GLY 25 N 2.16 1.30 0.08 1.69 0.00 -1.26 -3.15 105.19 106.01 1ywu n GLY 25 Ca 0.25 0.32 -0.09 0.00 0.00 0.00 0.00 46.02 46.51 1ywu n GLY 25 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1ywu h GLU 26 N 0.00 0.01 -5.17 1.61 5.08 -2.03 -3.45 114.58 110.63 1ywu h GLU 26 Ca 0.00 -0.02 -0.62 0.00 -1.00 0.00 0.00 59.36 57.72 1ywu h GLU 26 Cb 0.00 0.01 -0.14 0.00 0.50 0.00 0.00 28.75 29.12 1ywu h GLU 26 CO 0.00 0.54 -0.39 1.03 -1.00 0.00 0.00 179.01 179.19 1ywu s ARG 27 N -2.60 4.08 -0.03 2.33 0.52 -1.19 -5.06 118.95 117.00 1ywu s ARG 27 Ca -0.05 -0.10 0.01 0.00 -0.52 0.00 0.00 55.73 55.07 1ywu s ARG 27 Cb 0.08 -3.56 0.02 0.00 0.52 0.00 0.00 34.95 32.01 1ywu s ARG 27 CO 0.82 -0.03 -0.02 -0.98 0.02 0.00 0.00 175.30 175.11 1ywu s ARG 28 N 1.32 0.50 -0.05 3.54 1.70 -1.26 -0.43 118.95 124.28 1ywu s ARG 28 Ca 0.12 -0.03 -0.03 0.00 -0.47 0.00 0.00 55.73 55.32 1ywu s ARG 28 Cb -0.14 -0.59 0.03 0.00 -0.57 0.00 0.00 34.95 33.67 1ywu s ARG 28 CO 0.07 -0.08 0.11 1.67 -1.08 0.00 0.00 175.30 175.99 1ywu s TRP 29 N 0.80 -0.11 0.31 5.89 -2.14 -0.03 -4.99 118.94 118.67 1ywu s TRP 29 Ca -0.09 0.34 -0.12 0.00 2.66 0.00 0.00 56.10 58.88 1ywu s TRP 29 Cb -0.12 -0.06 -0.08 0.00 -3.10 0.00 0.00 33.47 30.11 1ywu s TRP 29 CO -0.01 -0.11 0.69 -1.83 -2.66 0.00 0.00 176.95 173.03 1ywu s GLU 30 N 0.69 3.89 0.09 3.25 1.03 -1.26 -0.41 118.70 125.98 1ywu s GLU 30 Ca -0.05 0.50 0.02 0.00 0.03 0.00 0.00 54.97 55.47 1ywu s GLU 30 Cb -0.07 -2.49 -0.04 0.00 -0.80 0.00 0.00 34.13 30.74 1ywu s GLU 30 CO -0.03 0.16 -0.08 0.54 -1.33 0.00 0.00 175.26 174.52 1ywu s VAL 31 N -2.03 0.73 -0.15 1.83 0.11 0.46 -4.88 120.40 116.47 1ywu s VAL 31 Ca 0.51 -1.73 -0.22 0.00 -2.93 0.00 0.00 61.98 57.61 1ywu s VAL 31 Cb -0.10 -1.44 -0.03 0.00 -1.53 0.00 0.00 36.38 33.28 1ywu s VAL 31 CO 0.22 -0.72 0.69 -0.76 -3.33 0.00 0.00 175.10 171.19 1ywu s LEU 32 N -2.68 4.21 0.35 2.54 2.01 -1.26 -4.13 118.68 119.71 1ywu s LEU 32 Ca 0.07 1.01 -0.26 0.00 0.01 0.00 0.00 54.13 54.96 1ywu s LEU 32 Cb 0.01 -3.01 -0.09 0.00 0.01 0.00 0.00 46.19 43.11 1ywu s LEU 32 CO -0.03 -0.24 1.05 -0.22 1.01 0.00 0.00 176.35 177.92 1ywu s LEU 33 N 1.59 4.31 0.00 1.79 2.96 -1.26 -3.78 118.68 124.29 1ywu s LEU 33 Ca 0.33 2.09 0.00 0.00 -0.22 0.00 0.00 54.13 56.33 1ywu s LEU 33 Cb -0.16 -3.96 0.00 0.00 0.50 0.00 0.00 46.19 42.56 1ywu s LEU 33 CO 0.13 -0.31 0.00 1.41 -1.32 0.00 0.00 176.35 176.26 1ywu n HIS 34 N 0.46 0.00 -4.26 5.38 8.25 -1.20 -4.92 115.22 118.93 1ywu n HIS 34 Ca 0.02 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.33 1ywu n HIS 34 Cb 0.48 0.17 -0.10 0.00 1.12 0.00 0.00 29.99 31.66 1ywu n HIS 34 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1ywu s ASP 35 N -4.15 1.99 0.04 0.41 1.01 -0.45 -4.33 116.67 111.19 1ywu s ASP 35 Ca 0.00 -0.96 -0.22 0.00 0.71 0.00 0.00 52.55 52.08 1ywu s ASP 35 Cb 0.00 -0.05 0.05 0.00 1.01 0.00 0.00 42.92 43.93 1ywu s ASP 35 CO 0.00 -0.25 0.50 0.54 0.21 0.00 0.00 175.17 176.17 1ywu s VAL 36 N -2.95 0.03 0.09 -1.27 0.11 -1.26 -0.43 120.40 114.71 1ywu s VAL 36 Ca 0.16 -0.27 -0.02 0.00 -2.93 0.00 0.00 61.98 58.91 1ywu s VAL 36 Cb -0.00 -0.96 0.01 0.00 -1.53 0.00 0.00 36.38 33.89 1ywu s VAL 36 CO 0.02 -0.15 0.15 -1.54 -3.33 0.00 0.00 175.10 170.26 1ywu n SER 37 N 0.46 -0.44 -0.33 3.54 3.41 -0.64 -4.56 113.62 115.05 1ywu n SER 37 Ca -0.18 -1.40 0.06 0.00 -0.26 0.00 0.00 58.87 57.09 1ywu n SER 37 Cb 0.60 0.76 0.24 0.00 -0.26 0.00 0.00 64.21 65.55 1ywu n SER 37 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1ywu n LEU 38 N 0.00 0.98 -0.00 1.04 4.77 -0.54 -3.18 117.00 120.07 1ywu n LEU 38 Ca -0.01 -0.46 0.05 0.00 -0.03 0.00 0.00 56.01 55.56 1ywu n LEU 38 Cb 0.14 -0.10 -0.07 0.00 -2.33 0.00 0.00 43.42 41.06 1ywu n LEU 38 CO 0.07 0.23 -0.27 1.41 -1.33 0.00 0.00 177.39 177.49 1ywu n HIS 39 N -0.04 0.00 0.00 -1.77 8.25 -1.26 -4.89 115.22 115.51 1ywu n HIS 39 Ca 0.10 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.56 1ywu n HIS 39 Cb 0.18 -0.10 0.00 0.00 1.12 0.00 0.00 29.99 31.19 1ywu n HIS 39 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ywu n GLY 40 N 1.52 -0.04 3.54 -1.41 0.00 -1.19 -1.29 105.19 106.32 1ywu n GLY 40 Ca 0.00 -0.76 -0.16 0.00 0.00 0.00 0.00 46.02 45.10 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 -3.04 0.00 -0.15 -0.61 2.07 -0.85 -1.62 121.20 117.00 1ywu s ILE 41 Ca 0.00 0.00 -0.00 0.00 -1.41 0.00 0.00 60.65 59.24 1ywu s ILE 41 Cb 0.00 -1.00 0.03 0.00 0.13 0.00 0.00 42.46 41.62 1ywu s ILE 41 CO 0.00 0.00 -0.08 -0.22 -1.91 0.00 0.00 174.94 172.73 1ywu s LEU 42 N -1.07 1.60 0.00 8.50 2.96 0.42 -0.43 118.68 130.67 1ywu s LEU 42 Ca -0.09 -0.57 0.01 0.00 -0.22 0.00 0.00 54.13 53.27 1ywu s LEU 42 Cb -0.00 -0.97 -0.00 0.00 0.50 0.00 0.00 46.19 45.71 1ywu s LEU 42 CO 0.08 -0.14 0.05 1.33 -1.32 0.00 0.00 176.35 176.34 1ywu n VAL 43 N 4.85 0.00 -3.51 1.68 0.24 0.14 -1.35 118.33 120.39 1ywu n VAL 43 Ca -0.13 -1.26 -0.15 0.00 -2.04 0.00 0.00 64.34 60.76 1ywu n VAL 43 Cb 0.48 0.37 -0.05 0.00 -1.47 0.00 0.00 33.84 33.18 1ywu n VAL 43 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1ywu s GLY 44 N -2.38 -0.55 0.00 7.63 0.00 -1.25 -0.42 107.32 110.35 1ywu s GLY 44 Ca 0.06 0.89 0.00 0.00 0.00 0.00 0.00 44.72 45.67 1ywu s GLY 44 CO 0.05 0.55 0.00 -0.18 0.00 0.00 0.00 173.10 173.52 1ywu n GLN 45 N 0.41 0.00 -1.47 2.90 -0.06 0.25 -4.23 117.38 115.19 1ywu n GLN 45 Ca -0.18 0.00 -0.50 0.00 -2.00 0.00 0.00 57.00 54.32 1ywu n GLN 45 Cb 0.60 0.00 -0.07 0.00 -4.06 0.00 0.00 30.24 26.72 1ywu n GLN 45 CO 0.00 0.00 0.00 -2.30 -0.20 0.00 0.00 177.06 174.56 1ywu n PRO 46 N 0.00 1.20 0.15 3.69 -0.02 -1.26 -4.82 135.00 133.94 1ywu n PRO 46 Ca 0.00 0.33 -0.00 0.00 -2.02 0.00 0.00 63.50 61.81 1ywu n PRO 46 Cb 0.00 -2.55 0.25 0.00 -0.02 0.00 0.00 33.50 31.18 1ywu n PRO 46 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 1ywu h GLN 47 N 12.59 0.04 0.00 -0.52 4.20 -1.94 -3.47 115.11 126.01 1ywu h GLN 47 Ca -0.29 -0.02 -0.23 0.00 0.06 0.00 0.00 58.65 58.16 1ywu h GLN 47 Cb 1.31 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 29.04 1ywu h GLN 47 CO 1.01 0.53 -0.08 -3.47 -0.67 0.00 0.00 178.83 176.15 1ywu n ASP 48 N -3.95 -1.42 0.00 1.46 2.03 -1.26 -5.07 116.55 108.34 1ywu n ASP 48 Ca -0.02 -2.76 0.00 0.00 0.52 0.00 0.00 54.79 52.53 1ywu n ASP 48 Cb 0.52 2.59 0.00 0.00 -0.72 0.00 0.00 41.12 43.51 1ywu n ASP 48 CO 0.00 0.00 0.00 0.79 -1.92 0.00 0.00 177.20 176.07 1ywu n TRP 49 N -0.54 0.00 0.03 -0.67 7.02 -1.26 -5.12 117.44 116.89 1ywu n TRP 49 Ca -0.01 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.47 1ywu n TRP 49 Cb 0.56 0.01 0.00 0.00 -2.42 0.00 0.00 31.31 29.46 1ywu n TRP 49 CO 0.00 0.00 0.00 0.27 -2.02 0.00 0.00 177.69 175.94 1ywu n ASN 50 N -1.04 -0.47 0.00 -0.99 0.23 -1.26 -5.05 115.26 106.67 1ywu n ASN 50 Ca 0.00 0.16 0.00 0.00 -0.53 0.00 0.00 54.58 54.21 1ywu n ASN 50 Cb 0.00 0.67 0.00 0.00 -2.08 0.00 0.00 39.78 38.37 1ywu n ASN 50 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1ywu n GLY 51 N -1.44 0.13 3.05 4.83 0.00 -1.26 -5.11 105.19 105.40 1ywu n GLY 51 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1ywu n GLY 51 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ywu s ASP 52 N 0.00 4.54 0.00 1.61 2.15 -1.26 -4.96 116.67 118.75 1ywu s ASP 52 Ca 0.00 -1.64 0.11 0.00 0.43 0.00 0.00 52.55 51.45 1ywu s ASP 52 Cb 0.00 -1.57 0.57 0.00 -0.30 0.00 0.00 42.92 41.62 1ywu s ASP 52 CO 0.00 -0.25 1.21 -2.65 -0.17 0.00 0.00 175.17 173.31 1ywu n PRO 53 N 4.38 0.19 0.00 4.34 -0.02 -1.26 -1.63 135.00 141.00 1ywu n PRO 53 Ca -0.08 0.15 0.14 0.00 -2.02 0.00 0.00 63.50 61.68 1ywu n PRO 53 Cb 0.42 -1.50 0.58 0.00 -0.02 0.00 0.00 33.50 32.98 1ywu n PRO 53 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 1ywu n GLN 54 N -1.23 0.31 -2.38 -0.52 7.27 -1.26 -3.96 117.38 115.61 1ywu n GLN 54 Ca 0.06 -0.08 -0.43 0.00 0.07 0.00 0.00 57.00 56.62 1ywu n GLN 54 Cb 0.08 -1.50 -0.02 0.00 2.41 0.00 0.00 30.24 31.20 1ywu n GLN 54 CO 0.00 0.00 0.00 1.03 0.07 0.00 0.00 177.06 178.16 1ywu s ARG 55 N -2.74 4.15 0.11 3.69 1.81 -0.65 -4.95 118.95 120.37 1ywu s ARG 55 Ca 0.21 1.62 -0.32 0.00 -1.72 0.00 0.00 55.73 55.53 1ywu s ARG 55 Cb 0.19 -3.81 -0.11 0.00 -0.45 0.00 0.00 34.95 30.77 1ywu s ARG 55 CO 0.53 -0.81 1.82 -0.35 -0.68 0.00 0.00 175.30 175.80 1ywu n PRO 56 N 6.81 2.69 -3.91 3.54 -0.04 -1.26 -4.76 135.00 138.07 1ywu n PRO 56 Ca 0.14 0.98 -0.35 0.00 -0.04 0.00 0.00 63.50 64.23 1ywu n PRO 56 Cb 0.45 -2.86 -0.09 0.00 -0.04 0.00 0.00 33.50 30.97 1ywu n PRO 56 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1ywu s PHE 57 N 2.67 3.34 -0.26 0.54 2.99 -0.22 -4.72 117.98 122.33 1ywu s PHE 57 Ca 0.83 0.22 -0.08 0.00 0.00 0.00 0.00 56.93 57.89 1ywu s PHE 57 Cb -0.52 -2.08 -0.03 0.00 0.00 0.00 0.00 43.02 40.39 1ywu s PHE 57 CO 0.38 0.28 0.10 -1.21 -0.00 0.00 0.00 175.22 174.78 1ywu s GLU 58 N 0.16 3.71 -0.32 0.44 2.02 -0.30 -0.81 118.70 123.59 1ywu s GLU 58 Ca 0.06 -0.45 -0.10 0.00 0.02 0.00 0.00 54.97 54.50 1ywu s GLU 58 Cb -0.12 -3.42 -0.00 0.00 0.10 0.00 0.00 34.13 30.69 1ywu s GLU 58 CO -0.00 -0.20 0.16 0.00 0.02 0.00 0.00 175.26 175.23 1ywu s ALA 59 N 1.65 3.26 -0.22 5.21 0.00 -0.64 -1.24 121.76 129.79 1ywu s ALA 59 Ca 0.06 -1.45 -0.01 0.00 0.00 0.00 0.00 51.96 50.56 1ywu s ALA 59 Cb -0.15 -2.40 0.02 0.00 0.00 0.00 0.00 23.12 20.58 1ywu s ALA 59 CO 0.06 -0.99 -0.10 1.03 0.00 0.00 0.00 175.76 175.76 1ywu s ARG 60 N 1.60 3.02 -0.45 0.00 0.52 -0.73 -1.22 118.95 121.68 1ywu s ARG 60 Ca 0.04 -0.84 -0.15 0.00 -0.52 0.00 0.00 55.73 54.25 1ywu s ARG 60 Cb -0.17 -2.87 0.05 0.00 0.52 0.00 0.00 34.95 32.47 1ywu s ARG 60 CO 0.06 -0.29 0.37 -0.51 0.02 0.00 0.00 175.30 174.94 1ywu s LEU 61 N 1.35 5.38 -0.70 2.53 1.43 0.44 -2.06 118.68 127.06 1ywu s LEU 61 Ca 0.03 -1.12 -0.25 0.00 -1.03 0.00 0.00 54.13 51.76 1ywu s LEU 61 Cb -0.15 -2.19 0.05 0.00 0.03 0.00 0.00 46.19 43.93 1ywu s LEU 61 CO -0.07 -0.57 1.13 -0.31 0.23 0.00 0.00 176.35 176.77 1ywu s TYR 62 N 1.70 2.46 -0.53 0.29 1.51 -0.20 -1.00 117.35 121.58 1ywu s TYR 62 Ca 0.05 -0.27 0.22 0.00 -1.01 0.00 0.00 57.07 56.06 1ywu s TYR 62 Cb -0.22 -4.47 -0.18 0.00 -0.11 0.00 0.00 41.96 36.98 1ywu s TYR 62 CO 0.08 -1.88 0.79 -0.11 -1.11 0.00 0.00 175.55 173.33 1ywu n LEU 63 N 8.61 0.53 0.00 -1.29 7.94 -0.36 -3.66 117.00 128.77 1ywu n LEU 63 Ca -0.00 -0.17 0.00 0.00 -1.11 0.00 0.00 56.01 54.73 1ywu n LEU 63 Cb 0.47 -0.03 0.00 0.00 0.53 0.00 0.00 43.42 44.39 1ywu n LEU 63 CO 0.68 0.09 0.00 0.61 -1.11 0.00 0.00 177.39 177.66 1ywu n GLY 64 N 1.37 2.57 0.09 -3.96 0.00 -0.76 -4.90 105.19 99.60 1ywu n GLY 64 Ca 0.01 -0.81 -0.12 0.00 0.00 0.00 0.00 46.02 45.10 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 0.18 0.00 0.99 4.07 -2.00 -3.37 115.31 115.18 1ywu h LEU 65 Ca 0.00 -0.25 0.00 0.00 0.08 0.00 0.00 57.88 57.71 1ywu h LEU 65 Cb 0.00 -0.06 0.00 0.00 1.08 0.00 0.00 40.66 41.68 1ywu h LEU 65 CO 0.00 1.21 -0.36 -0.90 -1.08 0.00 0.00 178.44 177.31 1ywu n ASP 66 N -3.32 0.80 -4.49 -0.43 5.75 -1.26 -4.84 116.55 108.76 1ywu n ASP 66 Ca -0.12 -0.51 -0.43 0.00 -0.01 0.00 0.00 54.79 53.72 1ywu n ASP 66 Cb 1.02 1.03 -0.01 0.00 -1.03 0.00 0.00 41.12 42.13 1ywu n ASP 66 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1ywu s VAL 67 N -1.55 4.66 -0.22 2.12 1.01 -1.26 -4.95 120.40 120.21 1ywu s VAL 67 Ca 0.01 -1.97 -0.02 0.00 0.00 0.00 0.00 61.98 60.01 1ywu s VAL 67 Cb 0.03 -4.94 0.01 0.00 0.00 0.00 0.00 36.38 31.49 1ywu s VAL 67 CO 0.18 -1.69 -0.09 -0.22 0.00 0.00 0.00 175.10 173.28 1ywu s LEU 68 N 2.76 2.80 -0.72 3.92 2.96 -1.26 -1.23 118.68 127.92 1ywu s LEU 68 Ca 0.42 -0.62 -0.21 0.00 -0.22 0.00 0.00 54.13 53.50 1ywu s LEU 68 Cb -0.02 -1.65 0.09 0.00 0.50 0.00 0.00 46.19 45.11 1ywu s LEU 68 CO -0.03 -0.05 0.97 -0.63 -1.32 0.00 0.00 176.35 175.29 1ywu s ILE 69 N 1.38 4.50 -0.22 6.68 1.01 -0.17 -4.57 121.20 129.81 1ywu s ILE 69 Ca 0.04 -0.75 -0.08 0.00 0.00 0.00 0.00 60.65 59.85 1ywu s ILE 69 Cb -0.15 -4.68 -0.04 0.00 0.01 0.00 0.00 42.46 37.60 1ywu s ILE 69 CO -0.06 -1.42 0.10 0.00 0.00 0.00 0.00 174.94 173.55 1ywu s ARG 70 N 3.52 3.91 -0.05 2.79 1.70 -1.26 -0.42 118.95 129.15 1ywu s ARG 70 Ca 0.23 -0.36 -0.01 0.00 -0.47 0.00 0.00 55.73 55.12 1ywu s ARG 70 Cb -0.15 -3.35 0.03 0.00 -0.57 0.00 0.00 34.95 30.91 1ywu s ARG 70 CO 0.05 0.07 0.02 0.00 -1.08 0.00 0.00 175.30 174.36 1ywu s MET 71 N 0.96 0.29 -0.16 3.89 0.23 -0.36 -3.27 119.30 120.87 1ywu s MET 71 Ca 0.05 0.21 -0.27 0.00 -1.03 0.00 0.00 55.69 54.65 1ywu s MET 71 Cb -0.14 -0.70 -0.01 0.00 -1.53 0.00 0.00 34.83 32.45 1ywu s MET 71 CO 0.03 -0.28 0.89 -2.00 -2.03 0.00 0.00 175.02 171.63 1ywu s GLU 72 N 1.87 4.32 0.11 3.16 2.12 0.45 -1.62 118.70 129.11 1ywu s GLU 72 Ca 0.02 1.13 0.04 0.00 0.36 0.00 0.00 54.97 56.52 1ywu s GLU 72 Cb -0.12 -3.57 -0.04 0.00 0.26 0.00 0.00 34.13 30.66 1ywu s GLU 72 CO -0.04 -0.35 -0.10 0.96 -0.54 0.00 0.00 175.26 175.20 1ywu s ILE 73 N 2.19 1.02 -0.13 -3.70 -4.36 0.01 -0.57 121.20 115.65 1ywu s ILE 73 Ca 0.41 -1.80 0.02 0.00 -0.26 0.00 0.00 60.65 59.03 1ywu s ILE 73 Cb -0.17 -1.54 0.01 0.00 1.25 0.00 0.00 42.46 42.01 1ywu s ILE 73 CO 0.13 -0.63 -0.19 -0.55 0.24 0.00 0.00 174.94 173.94 1ywu s SER 74 N -2.71 2.86 -0.34 4.36 0.15 -0.22 -1.05 113.70 116.75 1ywu s SER 74 Ca 0.10 -0.54 -0.28 0.00 0.70 0.00 0.00 55.95 55.93 1ywu s SER 74 Cb -0.01 -1.31 -0.04 0.00 -1.71 0.00 0.00 66.02 62.95 1ywu s SER 74 CO -0.00 0.05 2.03 -0.22 1.20 0.00 0.00 173.24 176.30 1ywu s LEU 75 N 0.90 3.45 0.00 3.45 2.96 -1.25 -0.40 118.68 127.79 1ywu s LEU 75 Ca -0.06 1.37 0.11 0.00 -0.22 0.00 0.00 54.13 55.33 1ywu s LEU 75 Cb -0.15 -3.28 -0.01 0.00 0.50 0.00 0.00 46.19 43.26 1ywu s LEU 75 CO -0.02 -2.02 0.68 0.00 -1.32 0.00 0.00 176.35 173.67 1ywu n ALA 76 N 11.77 2.92 -2.67 5.97 0.00 -0.88 -4.87 120.51 132.75 1ywu n ALA 76 Ca 0.27 -0.46 -0.19 0.00 0.00 0.00 0.00 53.44 53.06 1ywu n ALA 76 Cb 0.48 -0.40 -0.12 0.00 0.00 0.00 0.00 19.45 19.40 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 -1.49 1.29 -0.30 0.00 -0.00 0.23 -4.99 118.94 113.68 1ywu s TRP 77 Ca 0.09 -0.43 -0.10 0.00 -0.00 0.00 0.00 56.10 55.66 1ywu s TRP 77 Cb 0.09 -0.73 0.14 0.00 -0.00 0.00 0.00 33.47 32.97 1ywu s TRP 77 CO 0.29 0.07 0.71 0.00 -0.00 0.00 0.00 176.95 178.02 1ywu s ALA 78 N -1.17 -2.22 -0.41 5.86 0.00 -1.26 -2.48 121.76 120.07 1ywu s ALA 78 Ca -0.00 2.22 0.07 0.00 0.00 0.00 0.00 51.96 54.25 1ywu s ALA 78 Cb -0.10 -1.89 0.22 0.00 0.00 0.00 0.00 23.12 21.36 1ywu s ALA 78 CO 0.02 -0.99 0.51 -2.13 0.00 0.00 0.00 175.76 173.18 1ywu n ARG 79 N 5.36 0.55 0.00 0.00 3.00 0.53 -5.02 116.66 121.09 1ywu n ARG 79 Ca -0.10 -3.01 0.00 0.00 -0.00 0.00 0.00 57.85 54.74 1ywu n ARG 79 Cb 0.50 -1.38 0.00 0.00 0.00 0.00 0.00 32.46 31.58 1ywu n ARG 79 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 1ywu n ASP 80 N 1.93 0.00 0.00 6.15 8.00 -1.26 -0.70 116.55 130.67 1ywu n ASP 80 Ca 0.22 0.00 -0.01 0.00 0.71 0.00 0.00 54.79 55.72 1ywu n ASP 80 Cb 0.53 0.00 -0.11 0.00 -0.02 0.00 0.00 41.12 41.52 1ywu n ASP 80 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ywu n GLY 81 N 0.00 -1.13 3.76 0.44 0.00 -1.26 -4.88 105.19 102.12 1ywu n GLY 81 Ca 0.00 -0.20 -0.39 0.00 0.00 0.00 0.00 46.02 45.43 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 -5.59 4.42 -0.03 0.99 1.43 0.12 -0.58 118.68 119.45 1ywu s LEU 82 Ca -0.05 1.21 0.01 0.00 -1.03 0.00 0.00 54.13 54.27 1ywu s LEU 82 Cb 0.09 -2.97 0.02 0.00 0.03 0.00 0.00 46.19 43.36 1ywu s LEU 82 CO 0.83 0.09 -0.04 -0.76 0.23 0.00 0.00 176.35 176.70 1ywu s LEU 83 N -0.19 1.43 -0.02 1.79 1.43 0.44 -0.35 118.68 123.21 1ywu s LEU 83 Ca 0.32 -0.10 0.07 0.00 -1.03 0.00 0.00 54.13 53.39 1ywu s LEU 83 Cb -0.19 -0.36 -0.02 0.00 0.03 0.00 0.00 46.19 45.66 1ywu s LEU 83 CO 0.18 -0.04 -0.23 -0.83 0.23 0.00 0.00 176.35 175.66 1ywu s GLY 84 N 0.72 1.12 0.05 -3.19 0.00 -1.04 -0.68 107.32 104.30 1ywu s GLY 84 Ca -0.09 -0.97 0.08 0.00 0.00 0.00 0.00 44.72 43.74 1ywu s GLY 84 CO -0.00 -0.77 -0.22 -1.36 0.00 0.00 0.00 173.10 170.74 1ywu s PHE 85 N -0.47 2.43 -0.13 1.90 0.40 0.43 -0.60 117.98 121.95 1ywu s PHE 85 Ca 0.07 -0.34 -0.16 0.00 -0.60 0.00 0.00 56.93 55.90 1ywu s PHE 85 Cb -0.09 -1.42 -0.04 0.00 0.51 0.00 0.00 43.02 41.97 1ywu s PHE 85 CO -0.00 0.20 0.39 -2.00 0.70 0.00 0.00 175.22 174.50 1ywu s GLU 86 N -1.37 4.28 0.06 0.44 2.12 0.47 -2.00 118.70 122.70 1ywu s GLU 86 Ca 0.13 0.29 -0.31 0.00 0.36 0.00 0.00 54.97 55.45 1ywu s GLU 86 Cb -0.10 -3.42 -0.07 0.00 0.26 0.00 0.00 34.13 30.80 1ywu s GLU 86 CO 0.04 0.22 1.45 0.00 -0.54 0.00 0.00 175.26 176.43 1ywu n GLN 88 N 4.90 2.62 -3.15 0.00 -0.06 0.26 -4.91 117.38 117.04 1ywu n GLN 88 Ca 0.13 -0.01 0.04 0.00 -2.00 0.00 0.00 57.00 55.16 1ywu n GLN 88 Cb 0.42 -1.18 -0.00 0.00 -4.06 0.00 0.00 30.24 25.42 1ywu n GLN 88 CO 0.00 0.00 0.00 -1.58 -0.20 0.00 0.00 177.06 175.28 1ywu s HIS 89 N -2.20 -1.86 -0.15 3.69 2.46 -0.42 -4.99 115.29 111.83 1ywu s HIS 89 Ca -0.03 1.04 -0.05 0.00 0.47 0.00 0.00 55.06 56.48 1ywu s HIS 89 Cb 0.02 0.32 -0.03 0.00 -0.13 0.00 0.00 32.58 32.76 1ywu s HIS 89 CO 0.30 -1.09 0.02 0.42 -2.47 0.00 0.00 174.74 171.91 1ywu s ILE 90 N 2.77 4.38 0.40 0.89 1.01 -1.26 -0.42 121.20 128.98 1ywu s ILE 90 Ca 0.10 -0.19 -0.24 0.00 0.00 0.00 0.00 60.65 60.32 1ywu s ILE 90 Cb -0.10 -2.93 -0.09 0.00 0.01 0.00 0.00 42.46 39.36 1ywu s ILE 90 CO -0.25 0.51 1.05 -0.62 0.00 0.00 0.00 174.94 175.63 1ywu s ASP 91 N 0.04 6.75 0.28 3.58 -1.08 -1.20 -4.91 116.67 120.13 1ywu s ASP 91 Ca 0.03 2.03 -0.03 0.00 -0.52 0.00 0.00 52.55 54.05 1ywu s ASP 91 Cb -0.13 -2.58 0.37 0.00 -1.46 0.00 0.00 42.92 39.12 1ywu s ASP 91 CO 0.02 -0.50 1.94 -0.07 0.52 0.00 0.00 175.17 177.09 1ywu h LEU 92 N 2.47 1.01 -0.75 -1.34 3.38 -1.99 -0.62 115.31 117.47 1ywu h LEU 92 Ca -0.48 -0.04 -0.07 0.00 0.09 0.00 0.00 57.88 57.38 1ywu h LEU 92 Cb 1.21 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.68 1ywu h LEU 92 CO 0.62 0.75 0.19 -0.78 0.09 0.00 0.00 178.44 179.31 1ywu h ASP 93 N 1.19 1.07 -0.42 -0.43 1.82 -1.96 -0.09 116.42 117.58 1ywu h ASP 93 Ca 0.32 -0.22 -0.09 0.00 -0.39 0.00 0.00 57.03 56.64 1ywu h ASP 93 Cb -0.11 -0.28 -0.02 0.00 0.68 0.00 0.00 39.33 39.60 1ywu h ASP 93 CO -0.07 1.01 -0.07 0.28 -1.61 0.00 0.00 179.24 178.79 1ywu h SER 94 N 1.08 0.85 -0.44 2.28 0.02 -1.59 -1.32 113.55 114.42 1ywu h SER 94 Ca 0.23 -0.25 -0.03 0.00 -0.84 0.00 0.00 61.79 60.90 1ywu h SER 94 Cb 0.35 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.64 1ywu h SER 94 CO -0.00 0.95 0.17 0.40 -1.14 0.00 0.00 176.83 177.21 1ywu h ILE 95 N 0.79 1.21 -0.85 3.27 2.04 -0.55 -0.30 117.51 123.12 1ywu h ILE 95 Ca 0.14 -0.64 -0.03 0.00 1.00 0.00 0.00 64.86 65.32 1ywu h ILE 95 Cb 0.57 0.81 -0.04 0.00 -0.74 0.00 0.00 36.82 37.42 1ywu h ILE 95 CO 0.03 0.24 0.41 0.28 0.00 0.00 0.00 178.15 179.11 1ywu h SER 96 N 0.57 1.10 -0.37 1.72 0.02 -0.77 -1.68 113.55 114.14 1ywu h SER 96 Ca 0.15 -0.13 -0.03 0.00 -0.84 0.00 0.00 61.79 60.94 1ywu h SER 96 Cb 0.20 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.45 1ywu h SER 96 CO -0.01 0.93 0.13 0.45 -1.14 0.00 0.00 176.83 177.19 1ywu h HIS 97 N 1.20 0.58 0.67 3.45 3.86 -1.02 -2.61 115.15 121.28 1ywu h HIS 97 Ca 0.29 -0.05 -0.03 0.00 -1.16 0.00 0.00 60.37 59.42 1ywu h HIS 97 Cb 0.11 -0.17 0.00 0.00 1.06 0.00 0.00 27.41 28.42 1ywu h HIS 97 CO 0.01 0.54 -0.35 1.25 0.86 0.00 0.00 177.93 180.25 1ywu h LEU 98 N 0.45 -0.83 -0.51 2.43 5.85 -0.52 0.33 115.31 122.50 1ywu h LEU 98 Ca 0.12 0.03 -0.11 0.00 0.84 0.00 0.00 57.88 58.76 1ywu h LEU 98 Cb 0.22 0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.46 1ywu h LEU 98 CO -0.01 -0.57 -0.13 -0.09 -0.34 0.00 0.00 178.44 177.30 1ywu h ARG 99 N -0.94 0.99 -0.71 1.25 2.43 -1.41 -1.04 114.38 114.95 1ywu h ARG 99 Ca -0.09 -0.38 -0.02 0.00 -0.81 0.00 0.00 59.98 58.68 1ywu h ARG 99 Cb 0.73 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 30.19 1ywu h ARG 99 CO 0.14 1.06 0.36 0.00 -1.51 0.00 0.00 179.97 180.01 1ywu h ARG 100 N 0.85 1.01 0.33 0.20 -0.00 -1.42 0.14 114.38 115.49 1ywu h ARG 100 Ca 0.13 -0.13 -0.02 0.00 -0.50 0.00 0.00 59.98 59.46 1ywu h ARG 100 Cb 0.70 -0.19 0.00 0.00 0.00 0.00 0.00 29.97 30.48 1ywu h ARG 100 CO 0.05 0.77 -0.16 1.25 0.00 0.00 0.00 179.97 181.88 1ywu h LEU 101 N 1.01 -0.38 -1.59 3.04 5.85 -0.49 -1.99 115.31 120.75 1ywu h LEU 101 Ca 0.25 -0.07 0.01 0.00 0.84 0.00 0.00 57.88 58.91 1ywu h LEU 101 Cb 0.08 0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.19 1ywu h LEU 101 CO -0.03 -0.16 0.29 0.58 -0.34 0.00 0.00 178.44 178.77 1ywu h VAL 102 N -0.58 1.09 0.24 1.05 2.07 -0.93 0.34 116.25 119.53 1ywu h VAL 102 Ca -0.05 -0.19 -0.01 0.00 0.82 0.00 0.00 66.70 67.27 1ywu h VAL 102 Cb 0.43 0.49 0.00 0.00 -1.52 0.00 0.00 31.29 30.68 1ywu h VAL 102 CO 0.08 0.10 -0.12 -0.08 0.02 0.00 0.00 177.57 177.57 1ywu h GLU 103 N 0.56 -0.31 0.00 1.57 4.81 -0.54 -0.71 114.58 119.95 1ywu h GLU 103 Ca 0.16 0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.39 1ywu h GLU 103 Cb -0.02 0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.42 1ywu h GLU 103 CO -0.04 -0.12 -0.13 -0.07 -0.73 0.00 0.00 179.01 177.92 1ywu h LEU 104 N -0.45 0.00 -0.62 1.64 4.07 -1.00 -2.82 115.31 116.13 1ywu h LEU 104 Ca -0.03 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.93 1ywu h LEU 104 Cb 0.34 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.08 1ywu h LEU 104 CO 0.05 0.13 0.00 -1.13 -1.08 0.00 0.00 178.44 176.42 1ywu h ASN 105 N 0.00 0.00 -4.95 -0.43 -0.73 -0.06 -3.47 115.58 105.94 1ywu h ASN 105 Ca -0.00 0.00 -0.32 0.00 1.87 0.00 0.00 56.30 57.85 1ywu h ASN 105 Cb 0.85 0.00 0.12 0.00 0.27 0.00 0.00 38.32 39.55 1ywu h ASN 105 CO 0.02 0.00 -0.56 -0.11 -0.37 0.00 0.00 177.43 176.41 1ywu n LEU 106 N -3.07 -3.17 -0.02 0.34 0.00 -0.33 -4.92 117.00 105.83 1ywu n LEU 106 Ca 0.03 -0.44 0.12 0.00 0.00 0.00 0.00 56.01 55.71 1ywu n LEU 106 Cb 0.43 -2.57 0.16 0.00 0.00 0.00 0.00 43.42 41.44 1ywu n LEU 106 CO 0.31 0.53 0.34 0.61 0.00 0.00 0.00 177.39 179.18 1ywu n GLY 107 N -1.71 -1.12 0.66 -3.96 0.00 -0.88 -5.07 105.19 93.10 1ywu n GLY 107 Ca -0.00 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.60 1ywu n GLY 107 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1ywu n ASP 108 N -1.42 -3.79 -0.14 1.61 -0.08 -1.26 -4.74 116.55 106.73 1ywu n ASP 108 Ca 0.06 0.68 0.14 0.00 -1.51 0.00 0.00 54.79 54.16 1ywu n ASP 108 Cb 0.34 -1.50 0.60 0.00 2.34 0.00 0.00 41.12 42.89 1ywu n ASP 108 CO 0.00 0.00 0.00 -1.84 0.12 0.00 0.00 177.20 175.48 1ywu n GLU 109 N -1.57 0.77 -0.33 -0.67 0.28 -1.26 -3.87 120.64 114.00 1ywu n GLU 109 Ca 0.00 -0.29 -0.03 0.00 -0.16 0.00 0.00 57.16 56.68 1ywu n GLU 109 Cb 0.12 -1.49 0.09 0.00 1.43 0.00 0.00 31.44 31.58 1ywu n GLU 109 CO 0.00 0.00 0.00 1.49 -0.16 0.00 0.00 177.13 178.46 1ywu h GLU 110 N 0.70 1.15 -0.83 3.44 4.81 -1.93 -2.01 114.58 119.92 1ywu h GLU 110 Ca 0.00 -0.07 0.06 0.00 -0.13 0.00 0.00 59.36 59.22 1ywu h GLU 110 Cb 0.37 -0.26 -0.05 0.00 0.63 0.00 0.00 28.75 29.43 1ywu h GLU 110 CO 0.00 0.76 0.54 -0.07 -0.73 0.00 0.00 179.01 179.52 1ywu h LEU 111 N 1.19 0.83 -0.70 1.64 3.38 -1.85 -1.30 115.31 118.49 1ywu h LEU 111 Ca 0.32 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.22 1ywu h LEU 111 Cb -0.14 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.43 1ywu h LEU 111 CO -0.07 0.54 -0.36 -0.07 0.09 0.00 0.00 178.44 178.57 1ywu h LEU 112 N 0.95 0.00 -4.18 1.67 3.38 -1.61 -3.33 115.31 112.18 1ywu h LEU 112 Ca 0.35 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.98 1ywu h LEU 112 Cb 0.18 0.00 -0.37 0.00 0.09 0.00 0.00 40.66 40.56 1ywu h LEU 112 CO -0.12 0.36 -0.91 1.21 0.09 0.00 0.00 178.44 179.07 1ywu n GLU 113 N -3.39 2.38 0.00 1.13 4.07 -0.59 -1.46 120.64 122.78 1ywu n GLU 113 Ca 0.01 -3.64 0.00 0.00 -0.06 0.00 0.00 57.16 53.47 1ywu n GLU 113 Cb 0.55 -1.76 0.00 0.00 -0.06 0.00 0.00 31.44 30.18 1ywu n GLU 113 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 1ywu n ARG 114 N -0.61 0.00 -3.62 5.31 1.74 -0.61 -4.96 116.66 113.90 1ywu n ARG 114 Ca 0.25 0.00 -0.02 0.00 -0.77 0.00 0.00 57.85 57.31 1ywu n ARG 114 Cb 0.89 0.00 -0.01 0.00 -1.02 0.00 0.00 32.46 32.32 1ywu n ARG 114 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 1ywu s GLU 115 N 0.19 0.56 0.11 5.56 -6.30 -1.26 -4.95 118.70 112.61 1ywu s GLU 115 Ca 0.00 -0.28 -0.15 0.00 -2.50 0.00 0.00 54.97 52.05 1ywu s GLU 115 Cb 0.00 0.21 -0.06 0.00 0.00 0.00 0.00 34.13 34.28 1ywu s GLU 115 CO 0.00 -0.25 1.48 1.25 0.02 0.00 0.00 175.26 177.76 1ywu h LEU 116 N 2.00 0.72 -1.40 2.70 5.85 -1.93 -1.07 115.31 122.18 1ywu h LEU 116 Ca -0.22 -0.40 0.00 0.00 0.84 0.00 0.00 57.88 58.09 1ywu h LEU 116 Cb 1.20 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 42.03 1ywu h LEU 116 CO 0.27 0.96 0.00 0.00 -0.34 0.00 0.00 178.44 179.33 1ywu h ALA 117 N 0.78 1.00 -0.48 1.25 0.00 -2.02 -0.99 119.26 118.79 1ywu h ALA 117 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1ywu h ALA 117 Cb 0.69 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1ywu h ALA 117 CO 0.05 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.58 1ywu n LEU 118 N -2.70 3.30 -4.11 0.00 4.77 -0.83 -4.83 117.00 112.60 1ywu n LEU 118 Ca 0.00 -1.52 -0.33 0.00 -0.03 0.00 0.00 56.01 54.13 1ywu n LEU 118 Cb 0.22 -0.32 -0.16 0.00 -2.33 0.00 0.00 43.42 40.83 1ywu n LEU 118 CO 0.22 0.76 -0.51 -0.76 -1.33 0.00 0.00 177.39 175.77 1ywu s LEU 119 N -1.28 2.43 0.00 2.23 1.02 -0.38 -4.66 118.68 118.04 1ywu s LEU 119 Ca 0.40 -0.80 0.06 0.00 0.02 0.00 0.00 54.13 53.80 1ywu s LEU 119 Cb 0.22 -1.50 -0.02 0.00 0.02 0.00 0.00 46.19 44.92 1ywu s LEU 119 CO 0.30 -0.04 -0.17 -0.69 0.02 0.00 0.00 176.35 175.77 1ywu s VAL 120 N 1.25 1.37 1.15 -1.59 1.01 -1.26 -4.90 120.40 117.44 1ywu s VAL 120 Ca 0.02 -0.83 -0.13 0.00 0.00 0.00 0.00 61.98 61.04 1ywu s VAL 120 Cb -0.15 -1.16 0.28 0.00 0.00 0.00 0.00 36.38 35.35 1ywu s VAL 120 CO -0.11 0.31 1.03 -0.94 0.00 0.00 0.00 175.10 175.39 1ywu s SER 121 N -0.61 1.07 0.33 3.32 1.04 -1.26 -4.81 113.70 112.78 1ywu s SER 121 Ca 0.06 1.52 0.10 0.00 0.48 0.00 0.00 55.95 58.11 1ywu s SER 121 Cb -0.07 -2.29 0.99 0.00 0.10 0.00 0.00 66.02 64.75 1ywu s SER 121 CO -0.00 -4.15 1.60 0.00 0.98 0.00 0.00 173.24 171.67 1ywu h ALA 122 N -2.59 1.61 -1.56 5.32 0.00 -1.98 -2.48 119.26 117.59 1ywu h ALA 122 Ca -0.61 0.28 -0.69 0.00 0.00 0.00 0.00 54.91 53.90 1ywu h ALA 122 Cb 1.33 0.41 -0.15 0.00 0.00 0.00 0.00 17.79 19.39 1ywu h ALA 122 CO 0.50 -0.69 1.30 -1.58 0.00 0.00 0.00 179.25 178.79 1ywu s HIS 123 N -5.79 3.08 -0.21 0.00 5.65 -1.26 -4.69 115.29 112.07 1ywu s HIS 123 Ca -0.11 -1.55 -0.05 0.00 0.25 0.00 0.00 55.06 53.60 1ywu s HIS 123 Cb 0.30 -4.43 -0.19 0.00 -1.18 0.00 0.00 32.58 27.08 1ywu s HIS 123 CO 0.78 -1.59 -0.02 -0.40 -0.65 0.00 0.00 174.74 172.86 1ywu n ASP 124 N 6.96 2.01 0.00 9.88 5.75 -0.94 -5.08 116.55 135.13 1ywu n ASP 124 Ca 0.33 0.08 0.00 0.00 -0.01 0.00 0.00 54.79 55.19 1ywu n ASP 124 Cb 0.47 -0.66 0.00 0.00 -1.03 0.00 0.00 41.12 39.90 1ywu n ASP 124 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42