#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 -5.15 -4.70 7.83 7.64 -1.26 -4.98 113.62 113.00 1ywu n SER 2 Ca 0.00 0.27 -0.27 0.00 1.01 0.00 0.00 58.87 59.87 1ywu n SER 2 Cb 0.00 -4.21 -0.07 0.00 -1.01 0.00 0.00 64.21 58.91 1ywu n SER 2 CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 1ywu s ASP 3 N -2.58 5.01 -0.17 6.43 -4.77 -1.26 -5.12 116.67 114.22 1ywu s ASP 3 Ca 0.00 -0.28 -0.30 0.00 -3.30 0.00 0.00 52.55 48.67 1ywu s ASP 3 Cb 0.00 -1.16 0.13 0.00 -1.09 0.00 0.00 42.92 40.80 1ywu s ASP 3 CO 0.00 0.11 1.03 0.00 0.70 0.00 0.00 175.17 177.01 1ywu s GLN 4 N -2.83 0.54 0.37 2.11 -2.07 -1.26 -5.16 119.66 111.37 1ywu s GLN 4 Ca 0.28 0.11 -0.26 0.00 -1.82 0.00 0.00 55.36 53.67 1ywu s GLN 4 Cb -0.10 0.26 -0.09 0.00 -1.09 0.00 0.00 33.01 31.99 1ywu s GLN 4 CO 0.20 -0.17 1.15 -1.58 -1.32 0.00 0.00 175.29 173.56 1ywu s HIS 5 N -1.20 3.19 0.00 9.60 5.65 -1.26 -5.05 115.29 126.21 1ywu s HIS 5 Ca -0.00 1.58 0.00 0.00 0.25 0.00 0.00 55.06 56.89 1ywu s HIS 5 Cb -0.01 -3.35 0.00 0.00 -1.18 0.00 0.00 32.58 28.04 1ywu s HIS 5 CO 0.00 -1.12 0.00 -0.25 -0.65 0.00 0.00 174.74 172.72 1ywu n ASP 6 N 0.30 0.00 -4.76 9.88 9.92 -1.26 -5.03 116.55 125.60 1ywu n ASP 6 Ca 0.03 -0.48 -0.41 0.00 -0.53 0.00 0.00 54.79 53.40 1ywu n ASP 6 Cb 0.46 0.00 -0.02 0.00 -0.64 0.00 0.00 41.12 40.92 1ywu n ASP 6 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 1ywu s GLU 7 N -0.39 4.28 0.21 -1.24 8.01 -1.26 -4.89 118.70 123.42 1ywu s GLU 7 Ca 0.00 2.31 0.00 0.00 0.01 0.00 0.00 54.97 57.29 1ywu s GLU 7 Cb 0.00 -3.06 0.00 0.00 -4.31 0.00 0.00 34.13 26.76 1ywu s GLU 7 CO 0.00 -0.33 0.00 -2.13 0.01 0.00 0.00 175.26 172.81 1ywu n ARG 8 N 1.26 0.00 -3.40 1.61 0.63 -1.26 -5.08 116.66 110.42 1ywu n ARG 8 Ca 0.02 0.00 -0.37 0.00 -0.92 0.00 0.00 57.85 56.58 1ywu n ARG 8 Cb 0.41 -0.06 -0.06 0.00 0.45 0.00 0.00 32.46 33.20 1ywu n ARG 8 CO 0.00 0.00 0.00 0.50 -2.51 0.00 0.00 177.63 175.62 1ywu s ARG 9 N -1.77 4.27 -0.39 -0.14 3.52 -1.26 -5.04 118.95 118.15 1ywu s ARG 9 Ca 0.00 0.34 -0.29 0.00 -0.13 0.00 0.00 55.73 55.66 1ywu s ARG 9 Cb 0.00 -3.41 0.02 0.00 -1.56 0.00 0.00 34.95 30.00 1ywu s ARG 9 CO 0.00 0.24 1.08 -0.98 -0.81 0.00 0.00 175.30 174.84 1ywu s ARG 10 N 0.38 3.90 0.00 5.12 1.04 -1.26 -4.90 118.95 123.23 1ywu s ARG 10 Ca 0.23 0.81 0.00 0.00 -1.04 0.00 0.00 55.73 55.73 1ywu s ARG 10 Cb -0.15 -3.81 0.00 0.00 -2.04 0.00 0.00 34.95 28.95 1ywu s ARG 10 CO 0.09 -1.10 0.00 0.34 -0.04 0.00 0.00 175.30 174.59 1ywu n PHE 11 N 7.24 0.00 -3.12 5.89 -0.00 -1.26 -5.11 117.46 121.09 1ywu n PHE 11 Ca 0.11 0.00 -0.44 0.00 -0.00 0.00 0.00 57.45 57.13 1ywu n PHE 11 Cb 0.48 0.00 -0.06 0.00 -0.00 0.00 0.00 39.48 39.90 1ywu n PHE 11 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.76 175.18 1ywu s HIS 12 N 0.00 3.03 -0.27 -5.13 5.65 -1.26 -5.02 115.29 112.28 1ywu s HIS 12 Ca 0.00 -0.43 -0.25 0.00 0.25 0.00 0.00 55.06 54.63 1ywu s HIS 12 Cb 0.00 -3.56 0.00 0.00 -1.18 0.00 0.00 32.58 27.84 1ywu s HIS 12 CO 0.00 -1.04 0.88 -0.98 -0.65 0.00 0.00 174.74 172.95 1ywu s ARG 13 N 2.78 4.11 -0.85 2.88 1.70 -1.26 -4.98 118.95 123.32 1ywu s ARG 13 Ca 0.17 0.91 -0.17 0.00 -0.47 0.00 0.00 55.73 56.17 1ywu s ARG 13 Cb -0.18 -3.68 0.16 0.00 -0.57 0.00 0.00 34.95 30.68 1ywu s ARG 13 CO 0.13 -0.64 0.94 0.42 -1.08 0.00 0.00 175.30 175.07 1ywu s ILE 14 N 3.05 5.08 -0.30 4.99 -1.09 -1.26 -4.93 121.20 126.74 1ywu s ILE 14 Ca 0.37 -1.85 -0.12 0.00 -2.23 0.00 0.00 60.65 56.82 1ywu s ILE 14 Cb -0.14 -4.63 0.14 0.00 -1.58 0.00 0.00 42.46 36.25 1ywu s ILE 14 CO 0.10 -1.28 0.76 0.00 -1.23 0.00 0.00 174.94 173.29 1ywu s ALA 15 N 1.71 -2.23 0.24 9.38 0.00 -1.23 -3.68 121.76 125.95 1ywu s ALA 15 Ca 0.24 2.27 0.07 0.00 0.00 0.00 0.00 51.96 54.54 1ywu s ALA 15 Cb -0.09 -1.83 -0.04 0.00 0.00 0.00 0.00 23.12 21.16 1ywu s ALA 15 CO -0.07 -0.88 0.20 -0.06 0.00 0.00 0.00 175.76 174.94 1ywu s PHE 16 N 2.65 3.13 -0.35 0.00 0.08 -1.26 -5.00 117.98 117.23 1ywu s PHE 16 Ca -0.05 -0.09 0.03 0.00 0.12 0.00 0.00 56.93 56.93 1ywu s PHE 16 Cb -0.10 -1.42 0.52 0.00 -0.57 0.00 0.00 43.02 41.45 1ywu s PHE 16 CO -0.19 0.52 1.72 -0.40 -0.10 0.00 0.00 175.22 176.77 1ywu n ASP 17 N -1.08 3.63 -4.78 1.36 5.68 -1.26 -4.69 116.55 115.42 1ywu n ASP 17 Ca -0.08 -3.25 -0.37 0.00 -0.50 0.00 0.00 54.79 50.59 1ywu n ASP 17 Cb 0.57 -0.77 -0.04 0.00 -1.14 0.00 0.00 41.12 39.74 1ywu n ASP 17 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1ywu s ALA 18 N -2.56 3.15 0.01 2.12 0.00 -1.26 -4.98 121.76 118.23 1ywu s ALA 18 Ca 0.44 0.72 -0.30 0.00 0.00 0.00 0.00 51.96 52.82 1ywu s ALA 18 Cb 0.37 -3.27 -0.06 0.00 0.00 0.00 0.00 23.12 20.16 1ywu s ALA 18 CO 0.08 -0.17 1.54 -0.51 0.00 0.00 0.00 175.76 176.71 1ywu s ASP 19 N -1.46 6.72 -0.08 0.00 1.01 -1.24 -4.65 116.67 116.98 1ywu s ASP 19 Ca 0.55 2.26 0.04 0.00 0.71 0.00 0.00 52.55 56.10 1ywu s ASP 19 Cb -0.23 -2.55 0.00 0.00 1.01 0.00 0.00 42.92 41.15 1ywu s ASP 19 CO 0.29 -0.83 -0.20 -0.55 0.21 0.00 0.00 175.17 174.10 1ywu s SER 20 N 2.39 2.61 -0.13 0.27 0.15 -1.26 -0.62 113.70 117.11 1ywu s SER 20 Ca 0.69 -0.46 0.01 0.00 0.70 0.00 0.00 55.95 56.89 1ywu s SER 20 Cb -0.34 -1.13 0.02 0.00 -1.71 0.00 0.00 66.02 62.85 1ywu s SER 20 CO 0.29 0.13 -0.15 -1.61 1.20 0.00 0.00 173.24 173.10 1ywu s GLU 21 N 0.39 2.24 -0.16 5.44 2.02 -0.00 -0.76 118.70 127.86 1ywu s GLU 21 Ca -0.16 -0.55 -0.13 0.00 0.02 0.00 0.00 54.97 54.16 1ywu s GLU 21 Cb -0.17 -1.98 -0.05 0.00 0.10 0.00 0.00 34.13 32.03 1ywu s GLU 21 CO 0.07 -0.15 0.26 0.42 0.02 0.00 0.00 175.26 175.87 1ywu s ILE 22 N 1.24 5.33 -0.01 -1.63 1.01 0.53 -0.43 121.20 127.23 1ywu s ILE 22 Ca -0.01 0.47 0.07 0.00 0.00 0.00 0.00 60.65 61.19 1ywu s ILE 22 Cb -0.14 -3.59 -0.02 0.00 0.01 0.00 0.00 42.46 38.72 1ywu s ILE 22 CO -0.06 0.42 -0.24 -0.76 0.00 0.00 0.00 174.94 174.30 1ywu s LEU 23 N 0.31 2.06 -0.67 2.97 1.43 0.19 -0.42 118.68 124.55 1ywu s LEU 23 Ca 0.15 -0.44 0.05 0.00 -1.03 0.00 0.00 54.13 52.86 1ywu s LEU 23 Cb -0.13 -1.21 0.17 0.00 0.03 0.00 0.00 46.19 45.05 1ywu s LEU 23 CO 0.03 0.28 0.47 -1.58 0.23 0.00 0.00 176.35 175.79 1ywu s GLN 24 N -0.61 2.30 3.68 1.70 -0.44 0.49 -0.38 119.66 126.40 1ywu s GLN 24 Ca 0.09 -3.21 0.00 0.00 -2.50 0.00 0.00 55.36 49.74 1ywu s GLN 24 Cb -0.09 -3.22 0.00 0.00 -1.64 0.00 0.00 33.01 28.06 1ywu s GLN 24 CO -0.01 -1.29 0.00 0.41 0.50 0.00 0.00 175.29 174.90 1ywu n GLY 25 N 2.08 0.61 0.11 2.59 0.00 -1.26 -1.49 105.19 107.84 1ywu n GLY 25 Ca 0.20 0.52 0.06 0.00 0.00 0.00 0.00 46.02 46.81 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 0.00 -6.24 1.61 5.08 -2.00 -3.45 114.58 109.57 1ywu h GLU 26 Ca 0.00 0.00 -0.58 0.00 -1.00 0.00 0.00 59.36 57.78 1ywu h GLU 26 Cb 0.00 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.17 1ywu h GLU 26 CO 0.00 0.14 0.70 1.03 -1.00 0.00 0.00 179.01 179.88 1ywu s ARG 27 N -3.16 3.83 -0.18 2.33 0.52 -0.55 -5.01 118.95 116.73 1ywu s ARG 27 Ca -0.01 0.62 -0.04 0.00 -0.52 0.00 0.00 55.73 55.78 1ywu s ARG 27 Cb 0.09 -3.82 -0.02 0.00 0.52 0.00 0.00 34.95 31.71 1ywu s ARG 27 CO 0.79 -1.04 -0.02 -0.98 0.02 0.00 0.00 175.30 174.07 1ywu s ARG 28 N 3.71 3.63 -0.16 3.54 1.70 -1.26 -0.38 118.95 129.73 1ywu s ARG 28 Ca 0.41 -0.53 0.01 0.00 -0.47 0.00 0.00 55.73 55.16 1ywu s ARG 28 Cb -0.11 -3.01 0.02 0.00 -0.57 0.00 0.00 34.95 31.28 1ywu s ARG 28 CO 0.21 0.10 -0.19 -1.58 -1.08 0.00 0.00 175.30 172.76 1ywu s TRP 29 N 0.75 2.59 -0.60 5.89 0.51 0.44 -5.00 118.94 123.52 1ywu s TRP 29 Ca -0.01 -1.44 -0.27 0.00 -2.12 0.00 0.00 56.10 52.26 1ywu s TRP 29 Cb -0.14 -1.80 0.03 0.00 -0.81 0.00 0.00 33.47 30.75 1ywu s TRP 29 CO 0.02 -0.71 1.13 -2.00 -0.51 0.00 0.00 176.95 174.88 1ywu s GLU 30 N 1.18 3.41 0.23 4.98 2.12 -1.26 -0.35 118.70 129.00 1ywu s GLU 30 Ca 0.01 0.01 0.07 0.00 0.36 0.00 0.00 54.97 55.42 1ywu s GLU 30 Cb -0.14 -4.06 -0.04 0.00 0.26 0.00 0.00 34.13 30.16 1ywu s GLU 30 CO -0.09 -1.70 0.15 0.54 -0.54 0.00 0.00 175.26 173.62 1ywu s VAL 31 N 4.78 4.30 -0.45 3.70 0.11 0.06 -4.96 120.40 127.93 1ywu s VAL 31 Ca 0.38 -1.39 -0.24 0.00 -2.93 0.00 0.00 61.98 57.80 1ywu s VAL 31 Cb -0.09 -3.28 0.03 0.00 -1.53 0.00 0.00 36.38 31.50 1ywu s VAL 31 CO 0.22 -0.29 0.84 -0.22 -3.33 0.00 0.00 175.10 172.32 1ywu s LEU 32 N -3.61 4.16 0.35 2.54 0.20 -1.23 -4.08 118.68 117.01 1ywu s LEU 32 Ca 0.32 -0.02 -0.28 0.00 0.69 0.00 0.00 54.13 54.84 1ywu s LEU 32 Cb -0.08 -3.06 -0.10 0.00 -0.43 0.00 0.00 46.19 42.52 1ywu s LEU 32 CO 0.24 -0.97 1.31 -0.22 -0.29 0.00 0.00 176.35 176.42 1ywu s LEU 33 N 3.47 4.39 0.00 -0.68 2.96 -1.26 -2.72 118.68 124.84 1ywu s LEU 33 Ca 0.33 2.69 0.00 0.00 -0.22 0.00 0.00 54.13 56.93 1ywu s LEU 33 Cb -0.11 -3.70 0.00 0.00 0.50 0.00 0.00 46.19 42.88 1ywu s LEU 33 CO 0.24 -0.60 0.00 1.41 -1.32 0.00 0.00 176.35 176.08 1ywu n HIS 34 N 0.67 0.00 -4.49 5.38 8.25 -1.24 -4.63 115.22 119.16 1ywu n HIS 34 Ca 0.01 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.17 1ywu n HIS 34 Cb 0.42 0.00 -0.13 0.00 1.12 0.00 0.00 29.99 31.40 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 1.00 3.47 0.02 0.41 1.01 -0.67 -3.52 116.67 118.40 1ywu s ASP 35 Ca 0.00 -0.64 -0.01 0.00 0.71 0.00 0.00 52.55 52.61 1ywu s ASP 35 Cb 0.00 -0.35 -0.02 0.00 1.01 0.00 0.00 42.92 43.56 1ywu s ASP 35 CO 0.00 0.20 -0.01 0.54 0.21 0.00 0.00 175.17 176.11 1ywu s VAL 36 N -1.02 0.12 0.22 -1.27 0.11 -1.26 -0.36 120.40 116.95 1ywu s VAL 36 Ca 0.15 -1.03 0.03 0.00 -2.93 0.00 0.00 61.98 58.19 1ywu s VAL 36 Cb -0.10 -0.49 -0.01 0.00 -1.53 0.00 0.00 36.38 34.24 1ywu s VAL 36 CO 0.06 -0.57 0.23 -1.54 -3.33 0.00 0.00 175.10 169.96 1ywu n SER 37 N 1.32 -0.62 -0.08 3.54 3.41 0.38 -4.45 113.62 117.13 1ywu n SER 37 Ca -0.22 -2.37 0.14 0.00 -0.26 0.00 0.00 58.87 56.16 1ywu n SER 37 Cb 0.56 1.30 0.65 0.00 -0.26 0.00 0.00 64.21 66.47 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 0.34 0.01 1.04 7.94 -0.33 -3.35 117.00 122.64 1ywu n LEU 38 Ca 0.04 0.08 0.11 0.00 -1.11 0.00 0.00 56.01 55.12 1ywu n LEU 38 Cb 0.39 -0.20 -0.12 0.00 0.53 0.00 0.00 43.42 44.02 1ywu n LEU 38 CO 0.20 0.06 -0.45 1.41 -1.11 0.00 0.00 177.39 177.50 1ywu n HIS 39 N -1.04 0.11 -0.22 1.96 8.25 -1.26 -4.83 115.22 118.18 1ywu n HIS 39 Ca 0.15 0.03 0.00 0.00 -0.26 0.00 0.00 57.72 57.64 1ywu n HIS 39 Cb 0.26 -0.42 0.00 0.00 1.12 0.00 0.00 29.99 30.95 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 1.32 -0.16 3.35 -1.41 0.00 -1.21 -1.18 105.19 105.89 1ywu n GLY 40 Ca -0.01 -1.02 -0.15 0.00 0.00 0.00 0.00 46.02 44.84 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 -3.92 0.04 -0.14 -0.61 2.07 -0.91 -0.47 121.20 117.25 1ywu s ILE 41 Ca 0.00 -0.29 0.02 0.00 -1.41 0.00 0.00 60.65 58.97 1ywu s ILE 41 Cb 0.00 -0.78 0.01 0.00 0.13 0.00 0.00 42.46 41.82 1ywu s ILE 41 CO 0.00 -0.16 -0.18 -0.22 -1.91 0.00 0.00 174.94 172.47 1ywu s LEU 42 N -1.32 1.93 0.43 8.50 2.96 0.52 -0.40 118.68 131.30 1ywu s LEU 42 Ca -0.12 -0.54 0.04 0.00 -0.22 0.00 0.00 54.13 53.28 1ywu s LEU 42 Cb -0.03 -1.31 -0.02 0.00 0.50 0.00 0.00 46.19 45.33 1ywu s LEU 42 CO 0.06 0.03 0.12 0.68 -1.32 0.00 0.00 176.35 175.92 1ywu s VAL 43 N 1.05 0.63 -0.27 1.68 -7.23 -0.08 -1.67 120.40 114.50 1ywu s VAL 43 Ca -0.03 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.17 1ywu s VAL 43 Cb -0.14 -2.30 0.07 0.00 0.56 0.00 0.00 36.38 34.56 1ywu s VAL 43 CO -0.05 0.00 -0.08 -0.83 -0.31 0.00 0.00 175.10 173.83 1ywu s GLY 44 N -3.65 1.69 -0.16 2.32 0.00 -1.10 -0.79 107.32 105.64 1ywu s GLY 44 Ca 0.21 -1.87 -0.08 0.00 0.00 0.00 0.00 44.72 42.98 1ywu s GLY 44 CO 0.13 0.68 0.11 1.62 0.00 0.00 0.00 173.10 175.63 1ywu s GLN 45 N 1.08 3.78 1.05 2.90 2.00 -0.74 -3.53 119.66 126.20 1ywu s GLN 45 Ca -0.06 -0.23 -0.14 0.00 -2.00 0.00 0.00 55.36 52.92 1ywu s GLN 45 Cb -0.20 -3.24 0.21 0.00 0.80 0.00 0.00 33.01 30.59 1ywu s GLN 45 CO -0.06 0.49 1.11 -1.25 -0.50 0.00 0.00 175.29 175.09 1ywu s PRO 46 N -0.22 0.01 -1.02 1.67 0.04 -1.26 -4.81 135.00 129.41 1ywu s PRO 46 Ca 0.10 0.28 -0.23 0.00 0.04 0.00 0.00 61.00 61.19 1ywu s PRO 46 Cb -0.12 -1.71 0.01 0.00 0.04 0.00 0.00 34.50 32.72 1ywu s PRO 46 CO 0.01 -2.96 1.70 -0.65 0.04 0.00 0.00 177.00 175.13 1ywu s GLN 47 N -5.15 3.16 0.00 4.56 -0.21 -1.26 -3.96 119.66 116.81 1ywu s GLN 47 Ca 0.67 -0.91 0.00 0.00 0.02 0.00 0.00 55.36 55.14 1ywu s GLN 47 Cb -0.15 -5.26 0.00 0.00 1.00 0.00 0.00 33.01 28.60 1ywu s GLN 47 CO 0.57 -2.78 0.35 -3.47 -2.12 0.00 0.00 175.29 167.83 1ywu n ASP 48 N 11.14 -0.02 -4.72 5.90 2.03 -1.26 -5.14 116.55 124.49 1ywu n ASP 48 Ca 0.38 -0.70 -0.42 0.00 0.52 0.00 0.00 54.79 54.57 1ywu n ASP 48 Cb 0.49 0.01 -0.03 0.00 -0.72 0.00 0.00 41.12 40.86 1ywu n ASP 48 CO 0.00 0.00 0.00 0.86 -1.92 0.00 0.00 177.20 176.14 1ywu s TRP 49 N 0.00 3.28 -0.12 -0.67 -0.00 -1.25 -5.00 118.94 115.17 1ywu s TRP 49 Ca 0.00 1.02 -0.21 0.00 -0.00 0.00 0.00 56.10 56.91 1ywu s TRP 49 Cb 0.00 -3.63 0.05 0.00 -0.00 0.00 0.00 33.47 29.89 1ywu s TRP 49 CO 0.00 -2.17 0.53 1.21 -0.00 0.00 0.00 176.95 176.52 1ywu s ASN 50 N 1.09 -0.51 0.00 5.86 3.84 -1.26 -4.97 114.94 118.99 1ywu s ASN 50 Ca 0.63 0.78 0.00 0.00 0.21 0.00 0.00 52.86 54.49 1ywu s ASN 50 Cb -0.35 0.79 0.00 0.00 -0.55 0.00 0.00 41.25 41.14 1ywu s ASN 50 CO 0.30 -0.36 0.00 0.61 -2.79 0.00 0.00 177.10 174.86 1ywu n GLY 51 N 1.96 3.12 1.28 1.21 0.00 -1.26 -4.99 105.19 106.52 1ywu n GLY 51 Ca -0.17 -0.56 0.17 0.00 0.00 0.00 0.00 46.02 45.46 1ywu n GLY 51 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ywu n ASP 52 N 0.00 -7.65 -0.92 1.61 8.00 -1.26 -3.04 116.55 113.29 1ywu n ASP 52 Ca 0.00 0.75 0.00 0.00 0.71 0.00 0.00 54.79 56.25 1ywu n ASP 52 Cb 0.00 -4.03 0.00 0.00 -0.02 0.00 0.00 41.12 37.07 1ywu n ASP 52 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 1ywu n PRO 53 N -4.01 0.44 -0.00 -0.24 -0.04 -1.26 -2.09 135.00 127.79 1ywu n PRO 53 Ca -0.02 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.48 1ywu n PRO 53 Cb 0.59 -1.27 -0.06 0.00 -0.04 0.00 0.00 33.50 32.72 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 0.71 1.47 -4.43 0.54 6.02 -1.24 -4.85 117.38 115.59 1ywu n GLN 54 Ca 0.00 -0.05 -0.34 0.00 -0.01 0.00 0.00 57.00 56.60 1ywu n GLN 54 Cb 0.20 -1.09 -0.13 0.00 1.02 0.00 0.00 30.24 30.25 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 -2.30 3.62 0.24 -1.09 1.81 -0.89 -5.09 118.95 115.26 1ywu s ARG 55 Ca -0.01 -0.55 -0.31 0.00 -1.72 0.00 0.00 55.73 53.14 1ywu s ARG 55 Cb 0.05 -2.88 -0.13 0.00 -0.45 0.00 0.00 34.95 31.54 1ywu s ARG 55 CO 0.32 0.21 1.51 -2.30 -0.68 0.00 0.00 175.30 174.36 1ywu n PRO 56 N 3.60 2.30 -4.57 3.54 -0.02 -1.26 -4.54 135.00 134.04 1ywu n PRO 56 Ca -0.17 0.82 -0.31 0.00 -2.02 0.00 0.00 63.50 61.82 1ywu n PRO 56 Cb 0.52 -2.54 -0.12 0.00 -0.02 0.00 0.00 33.50 31.34 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 0.18 2.62 -0.00 6.00 2.99 0.46 -4.57 117.98 125.66 1ywu s PHE 57 Ca 0.69 -0.21 0.07 0.00 0.00 0.00 0.00 56.93 57.48 1ywu s PHE 57 Cb -0.60 -1.48 -0.02 0.00 0.00 0.00 0.00 43.02 40.92 1ywu s PHE 57 CO 0.46 0.29 -0.23 -1.21 -0.00 0.00 0.00 175.22 174.54 1ywu s GLU 58 N -1.53 2.12 -0.25 0.44 2.02 0.49 -0.42 118.70 121.56 1ywu s GLU 58 Ca 0.16 -0.93 -0.00 0.00 0.02 0.00 0.00 54.97 54.22 1ywu s GLU 58 Cb -0.11 -2.11 0.04 0.00 0.10 0.00 0.00 34.13 32.05 1ywu s GLU 58 CO 0.07 0.56 -0.08 0.00 0.02 0.00 0.00 175.26 175.83 1ywu s ALA 59 N -0.71 2.65 -0.32 5.21 0.00 -0.84 -0.64 121.76 127.12 1ywu s ALA 59 Ca 0.11 -1.58 -0.10 0.00 0.00 0.00 0.00 51.96 50.40 1ywu s ALA 59 Cb -0.10 -1.66 -0.00 0.00 0.00 0.00 0.00 23.12 21.35 1ywu s ALA 59 CO 0.01 -0.96 0.15 0.50 0.00 0.00 0.00 175.76 175.46 1ywu s ARG 60 N 1.25 3.26 -0.23 0.00 3.52 0.43 -2.14 118.95 125.04 1ywu s ARG 60 Ca -0.03 -0.77 -0.05 0.00 -0.13 0.00 0.00 55.73 54.75 1ywu s ARG 60 Cb -0.18 -3.57 -0.01 0.00 -1.56 0.00 0.00 34.95 29.63 1ywu s ARG 60 CO -0.05 -0.45 -0.01 -0.51 -0.81 0.00 0.00 175.30 173.48 1ywu s LEU 61 N 1.60 3.07 -0.41 -0.88 1.43 0.48 -0.82 118.68 123.14 1ywu s LEU 61 Ca 0.04 -0.33 -0.19 0.00 -1.03 0.00 0.00 54.13 52.62 1ywu s LEU 61 Cb -0.17 -1.80 0.02 0.00 0.03 0.00 0.00 46.19 44.27 1ywu s LEU 61 CO 0.06 -0.02 0.56 -0.31 0.23 0.00 0.00 176.35 176.86 1ywu s TYR 62 N 1.52 3.12 -0.81 0.29 1.51 0.21 -1.07 117.35 122.12 1ywu s TYR 62 Ca 0.06 -0.10 0.09 0.00 -1.01 0.00 0.00 57.07 56.11 1ywu s TYR 62 Cb -0.14 -3.13 0.00 0.00 -0.11 0.00 0.00 41.96 38.58 1ywu s TYR 62 CO -0.01 -0.75 0.59 1.28 -1.11 0.00 0.00 175.55 175.55 1ywu n LEU 63 N 5.96 1.15 0.00 -1.29 7.99 -0.64 -3.63 117.00 126.55 1ywu n LEU 63 Ca -0.04 -0.78 0.00 0.00 -0.01 0.00 0.00 56.01 55.18 1ywu n LEU 63 Cb 0.48 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.79 1ywu n LEU 63 CO 0.50 0.23 0.00 0.61 -1.51 0.00 0.00 177.39 177.22 1ywu n GLY 64 N 0.82 -1.36 0.19 -0.72 0.00 -0.88 -4.81 105.19 98.42 1ywu n GLY 64 Ca 0.04 -1.03 -0.08 0.00 0.00 0.00 0.00 46.02 44.94 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 0.47 0.00 0.99 4.07 -2.01 -3.30 115.31 115.53 1ywu h LEU 65 Ca 0.00 -0.28 -0.36 0.00 0.08 0.00 0.00 57.88 57.32 1ywu h LEU 65 Cb 0.00 -0.14 -0.07 0.00 1.08 0.00 0.00 40.66 41.53 1ywu h LEU 65 CO 0.00 0.99 -2.36 -0.67 -1.08 0.00 0.00 178.44 175.31 1ywu n ASP 66 N -3.89 0.02 -4.52 -0.43 2.03 -1.26 -4.79 116.55 103.72 1ywu n ASP 66 Ca -0.03 0.01 -0.43 0.00 0.52 0.00 0.00 54.79 54.86 1ywu n ASP 66 Cb 0.65 1.00 -0.02 0.00 -0.72 0.00 0.00 41.12 42.03 1ywu n ASP 66 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1ywu s VAL 67 N -2.52 4.35 -0.23 5.18 1.01 -1.24 -4.95 120.40 122.00 1ywu s VAL 67 Ca -0.10 -1.42 -0.05 0.00 0.00 0.00 0.00 61.98 60.42 1ywu s VAL 67 Cb 0.06 -4.97 -0.02 0.00 0.00 0.00 0.00 36.38 31.46 1ywu s VAL 67 CO 0.83 -1.77 -0.00 -0.22 0.00 0.00 0.00 175.10 173.94 1ywu s LEU 68 N 3.71 3.09 -0.32 3.92 2.96 -1.26 -1.61 118.68 129.16 1ywu s LEU 68 Ca 0.42 -0.33 -0.09 0.00 -0.22 0.00 0.00 54.13 53.92 1ywu s LEU 68 Cb -0.01 -1.80 0.01 0.00 0.50 0.00 0.00 46.19 44.88 1ywu s LEU 68 CO -0.06 -0.02 0.14 -0.63 -1.32 0.00 0.00 176.35 174.45 1ywu s ILE 69 N 1.52 4.34 0.10 6.68 1.01 -0.23 -4.86 121.20 129.76 1ywu s ILE 69 Ca 0.06 -0.63 0.07 0.00 0.00 0.00 0.00 60.65 60.15 1ywu s ILE 69 Cb -0.15 -3.27 -0.04 0.00 0.01 0.00 0.00 42.46 39.01 1ywu s ILE 69 CO -0.01 0.00 -0.08 0.00 0.00 0.00 0.00 174.94 174.85 1ywu s ARG 70 N 1.55 2.21 -0.17 2.79 1.70 -1.26 -0.38 118.95 125.39 1ywu s ARG 70 Ca 0.03 -0.99 -0.06 0.00 -0.47 0.00 0.00 55.73 54.24 1ywu s ARG 70 Cb -0.18 -2.35 0.08 0.00 -0.57 0.00 0.00 34.95 31.93 1ywu s ARG 70 CO 0.05 0.51 0.36 0.00 -1.08 0.00 0.00 175.30 175.14 1ywu s MET 71 N -2.23 0.27 -0.09 3.89 0.23 -0.91 -4.39 119.30 116.07 1ywu s MET 71 Ca 0.22 0.89 -0.27 0.00 -1.03 0.00 0.00 55.69 55.50 1ywu s MET 71 Cb -0.11 0.15 -0.02 0.00 -1.53 0.00 0.00 34.83 33.31 1ywu s MET 71 CO 0.15 -0.24 0.89 -1.21 -2.03 0.00 0.00 175.02 172.57 1ywu s GLU 72 N 2.31 4.42 0.33 3.16 2.02 0.45 -1.98 118.70 129.41 1ywu s GLU 72 Ca -0.02 1.18 0.06 0.00 0.02 0.00 0.00 54.97 56.20 1ywu s GLU 72 Cb -0.11 -3.51 -0.03 0.00 0.10 0.00 0.00 34.13 30.57 1ywu s GLU 72 CO -0.11 -0.19 0.23 0.96 0.02 0.00 0.00 175.26 176.17 1ywu s ILE 73 N 1.59 0.13 0.09 -1.63 -4.36 0.43 -0.19 121.20 117.26 1ywu s ILE 73 Ca 0.44 -2.00 -0.08 0.00 -0.26 0.00 0.00 60.65 58.75 1ywu s ILE 73 Cb -0.18 -2.47 -0.01 0.00 1.25 0.00 0.00 42.46 41.05 1ywu s ILE 73 CO 0.18 0.00 0.17 -0.55 0.24 0.00 0.00 174.94 174.99 1ywu s SER 74 N -3.40 0.16 -0.11 4.36 0.15 -0.33 -0.40 113.70 114.13 1ywu s SER 74 Ca 0.37 -0.71 -0.30 0.00 0.70 0.00 0.00 55.95 56.01 1ywu s SER 74 Cb 0.03 0.33 -0.02 0.00 -1.71 0.00 0.00 66.02 64.65 1ywu s SER 74 CO 0.23 -0.73 1.12 -0.22 1.20 0.00 0.00 173.24 174.85 1ywu s LEU 75 N -2.88 4.23 -0.01 3.45 2.96 -1.26 -0.34 118.68 124.84 1ywu s LEU 75 Ca 0.06 1.65 0.01 0.00 -0.22 0.00 0.00 54.13 55.63 1ywu s LEU 75 Cb 0.05 -3.55 0.02 0.00 0.50 0.00 0.00 46.19 43.21 1ywu s LEU 75 CO -0.10 -0.57 0.73 0.00 -1.32 0.00 0.00 176.35 175.10 1ywu n ALA 76 N 5.44 1.47 -3.55 5.97 0.00 -0.87 -4.52 120.51 124.46 1ywu n ALA 76 Ca 0.11 -0.83 -0.17 0.00 0.00 0.00 0.00 53.44 52.55 1ywu n ALA 76 Cb 0.47 -0.13 -0.06 0.00 0.00 0.00 0.00 19.45 19.73 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 -0.37 -0.69 -0.30 0.00 -0.00 -0.25 -4.93 118.94 112.41 1ywu s TRP 77 Ca 0.02 1.32 -0.07 0.00 -0.00 0.00 0.00 56.10 57.36 1ywu s TRP 77 Cb 0.02 0.38 0.16 0.00 -0.00 0.00 0.00 33.47 34.03 1ywu s TRP 77 CO 0.00 -0.55 0.70 0.00 -0.00 0.00 0.00 176.95 177.11 1ywu s ALA 78 N -0.80 -2.32 -0.43 5.86 0.00 -1.26 -2.15 121.76 120.66 1ywu s ALA 78 Ca -0.08 2.05 0.03 0.00 0.00 0.00 0.00 51.96 53.95 1ywu s ALA 78 Cb -0.01 -2.02 0.16 0.00 0.00 0.00 0.00 23.12 21.24 1ywu s ALA 78 CO 0.08 -1.13 0.30 1.03 0.00 0.00 0.00 175.76 176.04 1ywu s ARG 79 N 2.83 1.03 -1.44 0.00 1.81 0.52 -4.97 118.95 118.74 1ywu s ARG 79 Ca 0.05 -2.01 -0.12 0.00 -1.72 0.00 0.00 55.73 51.93 1ywu s ARG 79 Cb -0.12 -1.74 0.09 0.00 -0.45 0.00 0.00 34.95 32.73 1ywu s ARG 79 CO -0.19 -1.29 0.67 -0.25 -0.68 0.00 0.00 175.30 173.56 1ywu n ASP 80 N 3.19 -4.03 0.00 0.23 9.92 -1.26 -1.12 116.55 123.48 1ywu n ASP 80 Ca 0.21 -0.59 0.00 0.00 -0.53 0.00 0.00 54.79 53.87 1ywu n ASP 80 Cb 0.41 -3.29 0.00 0.00 -0.64 0.00 0.00 41.12 37.60 1ywu n ASP 80 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1ywu n GLY 81 N -1.35 3.45 3.61 0.44 0.00 -1.26 -5.07 105.19 105.02 1ywu n GLY 81 Ca 0.01 -0.94 -0.43 0.00 0.00 0.00 0.00 46.02 44.67 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 0.00 3.82 -0.19 0.99 1.43 -0.27 -1.79 118.68 122.67 1ywu s LEU 82 Ca 0.00 0.70 -0.07 0.00 -1.03 0.00 0.00 54.13 53.73 1ywu s LEU 82 Cb 0.00 -3.49 -0.04 0.00 0.03 0.00 0.00 46.19 42.69 1ywu s LEU 82 CO 0.00 -1.04 0.04 -0.76 0.23 0.00 0.00 176.35 174.82 1ywu s LEU 83 N 3.97 3.62 -0.13 1.79 1.43 0.03 -0.36 118.68 129.03 1ywu s LEU 83 Ca 0.45 -0.02 -0.02 0.00 -1.03 0.00 0.00 54.13 53.51 1ywu s LEU 83 Cb -0.10 -1.91 -0.03 0.00 0.03 0.00 0.00 46.19 44.18 1ywu s LEU 83 CO 0.23 0.14 -0.05 -0.83 0.23 0.00 0.00 176.35 176.07 1ywu s GLY 84 N 0.59 1.70 -0.04 -3.19 0.00 -0.91 -0.91 107.32 104.56 1ywu s GLY 84 Ca 0.02 -0.84 0.05 0.00 0.00 0.00 0.00 44.72 43.95 1ywu s GLY 84 CO 0.02 -0.23 -0.19 -1.36 0.00 0.00 0.00 173.10 171.34 1ywu s PHE 85 N 0.06 2.56 -0.04 1.90 0.08 0.47 -1.10 117.98 121.92 1ywu s PHE 85 Ca -0.01 -0.28 -0.23 0.00 0.12 0.00 0.00 56.93 56.54 1ywu s PHE 85 Cb -0.14 -1.58 -0.04 0.00 -0.57 0.00 0.00 43.02 40.69 1ywu s PHE 85 CO 0.03 0.09 0.67 -2.00 -0.10 0.00 0.00 175.22 173.91 1ywu s GLU 86 N -0.66 4.41 0.22 0.44 2.12 0.54 -2.14 118.70 123.63 1ywu s GLU 86 Ca 0.10 0.85 -0.30 0.00 0.36 0.00 0.00 54.97 55.98 1ywu s GLU 86 Cb -0.10 -3.41 -0.08 0.00 0.26 0.00 0.00 34.13 30.79 1ywu s GLU 86 CO 0.00 0.18 1.08 0.00 -0.54 0.00 0.00 175.26 175.98 1ywu n GLN 88 N 1.83 0.14 -3.81 0.00 6.02 0.73 -4.91 117.38 117.38 1ywu n GLN 88 Ca 0.01 0.05 -0.29 0.00 -0.01 0.00 0.00 57.00 56.76 1ywu n GLN 88 Cb 0.46 -0.62 -0.16 0.00 1.02 0.00 0.00 30.24 30.94 1ywu n GLN 88 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 1ywu s HIS 89 N -1.72 1.85 -0.30 1.08 5.04 -0.61 -4.99 115.29 115.63 1ywu s HIS 89 Ca -0.08 -1.58 -0.05 0.00 -1.54 0.00 0.00 55.06 51.82 1ywu s HIS 89 Cb 0.01 -1.56 0.03 0.00 0.04 0.00 0.00 32.58 31.09 1ywu s HIS 89 CO 0.11 -0.78 0.05 0.42 -2.34 0.00 0.00 174.74 172.20 1ywu s ILE 90 N 1.57 3.52 0.41 0.89 1.01 -1.26 -0.41 121.20 126.93 1ywu s ILE 90 Ca 0.02 -1.01 -0.27 0.00 0.00 0.00 0.00 60.65 59.39 1ywu s ILE 90 Cb -0.18 -2.90 -0.10 0.00 0.01 0.00 0.00 42.46 39.29 1ywu s ILE 90 CO -0.14 -0.01 1.48 0.47 0.00 0.00 0.00 174.94 176.74 1ywu n ASP 91 N 4.77 3.66 0.28 3.58 8.00 -1.26 -4.80 116.55 130.77 1ywu n ASP 91 Ca -0.14 1.19 0.12 0.00 0.71 0.00 0.00 54.79 56.67 1ywu n ASP 91 Cb 0.46 -1.62 0.80 0.00 -0.02 0.00 0.00 41.12 40.74 1ywu n ASP 91 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 1ywu h LEU 92 N 2.71 0.00 -0.08 0.64 5.85 -1.98 0.16 115.31 122.61 1ywu h LEU 92 Ca -0.51 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.20 1ywu h LEU 92 Cb 1.25 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.28 1ywu h LEU 92 CO 0.63 0.01 0.00 -0.78 -0.34 0.00 0.00 178.44 177.96 1ywu h ASP 93 N 0.00 0.14 0.25 1.25 1.82 -1.99 0.18 116.42 118.07 1ywu h ASP 93 Ca -0.00 -0.31 -0.13 0.00 -0.39 0.00 0.00 57.03 56.20 1ywu h ASP 93 Cb 0.01 -0.04 -0.01 0.00 0.68 0.00 0.00 39.33 39.98 1ywu h ASP 93 CO 0.00 0.41 -0.50 0.77 -1.61 0.00 0.00 179.24 178.31 1ywu h SER 94 N -0.14 0.31 -0.15 2.28 4.64 -1.57 -1.58 113.55 117.34 1ywu h SER 94 Ca 0.02 -0.15 0.02 0.00 -0.47 0.00 0.00 61.79 61.21 1ywu h SER 94 Cb 0.34 -0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 62.33 1ywu h SER 94 CO 0.00 0.76 0.03 0.40 -0.87 0.00 0.00 176.83 177.15 1ywu h ILE 95 N 0.23 0.94 -0.46 0.95 2.04 -0.64 -0.50 117.51 120.06 1ywu h ILE 95 Ca 0.01 -0.03 0.05 0.00 1.00 0.00 0.00 64.86 65.88 1ywu h ILE 95 Cb 0.96 0.84 -0.04 0.00 -0.74 0.00 0.00 36.82 37.84 1ywu h ILE 95 CO 0.08 0.02 0.21 -1.28 0.00 0.00 0.00 178.15 177.18 1ywu h SER 96 N 0.10 0.28 -0.25 1.72 0.87 -0.58 0.13 113.55 115.82 1ywu h SER 96 Ca 0.07 0.03 -0.01 0.00 -1.23 0.00 0.00 61.79 60.65 1ywu h SER 96 Cb 0.05 -0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 61.99 1ywu h SER 96 CO -0.08 0.20 0.12 0.45 -0.53 0.00 0.00 176.83 176.98 1ywu h HIS 97 N 0.42 0.36 -0.19 2.24 3.86 -1.03 -1.47 115.15 119.34 1ywu h HIS 97 Ca 0.21 -0.02 -0.10 0.00 -1.16 0.00 0.00 60.37 59.30 1ywu h HIS 97 Cb 0.15 -0.11 -0.00 0.00 1.06 0.00 0.00 27.41 28.51 1ywu h HIS 97 CO -0.12 0.35 -0.26 1.25 0.86 0.00 0.00 177.93 180.01 1ywu h LEU 98 N 0.27 0.55 -0.46 2.43 5.85 -0.82 -2.18 115.31 120.95 1ywu h LEU 98 Ca 0.09 -0.51 -0.05 0.00 0.84 0.00 0.00 57.88 58.24 1ywu h LEU 98 Cb 0.13 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 40.98 1ywu h LEU 98 CO -0.01 0.96 0.09 -0.09 -0.34 0.00 0.00 178.44 179.04 1ywu h ARG 99 N 0.16 0.75 0.00 1.25 2.43 -0.73 -2.53 114.38 115.71 1ywu h ARG 99 Ca 0.02 -0.19 -0.07 0.00 -0.81 0.00 0.00 59.98 58.93 1ywu h ARG 99 Cb 0.83 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.28 1ywu h ARG 99 CO 0.06 0.76 -0.33 -0.09 -1.51 0.00 0.00 179.97 178.86 1ywu h ARG 100 N 0.61 0.00 -0.35 0.20 2.43 -1.29 0.13 114.38 116.11 1ywu h ARG 100 Ca 0.14 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.31 1ywu h ARG 100 Cb 0.36 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.90 1ywu h ARG 100 CO 0.01 0.33 0.20 1.25 -1.51 0.00 0.00 179.97 180.25 1ywu h LEU 101 N 0.00 0.43 -0.73 3.80 5.85 -0.99 0.13 115.31 123.82 1ywu h LEU 101 Ca -0.00 -0.07 -0.10 0.00 0.84 0.00 0.00 57.88 58.54 1ywu h LEU 101 Cb 0.77 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.67 1ywu h LEU 101 CO 0.04 0.38 -0.15 0.58 -0.34 0.00 0.00 178.44 178.95 1ywu h VAL 102 N 0.45 1.26 0.40 1.05 2.07 -1.03 -2.54 116.25 117.93 1ywu h VAL 102 Ca 0.13 -1.25 -0.02 0.00 0.82 0.00 0.00 66.70 66.38 1ywu h VAL 102 Cb 0.03 1.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.90 1ywu h VAL 102 CO -0.02 0.42 -0.19 -0.08 0.02 0.00 0.00 177.57 177.72 1ywu h GLU 103 N 0.73 -0.52 0.00 1.57 4.81 -0.60 0.12 114.58 120.70 1ywu h GLU 103 Ca 0.11 0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.35 1ywu h GLU 103 Cb 0.66 0.12 -0.00 0.00 0.63 0.00 0.00 28.75 30.15 1ywu h GLU 103 CO 0.05 -0.34 -0.15 -0.07 -0.73 0.00 0.00 179.01 177.77 1ywu h LEU 104 N -0.55 0.00 -1.47 1.64 3.38 -0.73 -0.67 115.31 116.91 1ywu h LEU 104 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1ywu h LEU 104 Cb 0.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1ywu h LEU 104 CO 0.09 0.15 0.00 0.59 0.09 0.00 0.00 178.44 179.36 1ywu n ASN 105 N -3.63 2.28 -3.95 -0.43 3.02 -0.96 -4.95 115.26 106.63 1ywu n ASN 105 Ca -0.02 -1.76 -0.30 0.00 -0.03 0.00 0.00 54.58 52.47 1ywu n ASN 105 Cb 0.27 -0.00 0.01 0.00 -0.61 0.00 0.00 39.78 39.46 1ywu n ASN 105 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1ywu n LEU 106 N 0.79 -2.43 -0.19 3.41 4.77 -0.23 -4.84 117.00 118.27 1ywu n LEU 106 Ca 0.16 -0.84 0.13 0.00 -0.03 0.00 0.00 56.01 55.44 1ywu n LEU 106 Cb 0.48 -2.46 0.67 0.00 -2.33 0.00 0.00 43.42 39.78 1ywu n LEU 106 CO 0.16 0.43 0.94 0.61 -1.33 0.00 0.00 177.39 178.20 1ywu n GLY 107 N -1.65 -0.59 2.20 -0.72 0.00 0.26 -4.98 105.19 99.71 1ywu n GLY 107 Ca -0.01 -0.26 -0.02 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.49 -4.23 0.00 1.61 8.00 -1.26 -4.81 116.55 115.37 1ywu n ASP 108 Ca 0.19 1.25 0.09 0.00 0.71 0.00 0.00 54.79 57.02 1ywu n ASP 108 Cb 0.18 -4.30 0.51 0.00 -0.02 0.00 0.00 41.12 37.50 1ywu n ASP 108 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 1ywu n GLU 109 N 1.37 0.67 -0.30 -1.24 0.28 -1.26 -2.77 120.64 117.39 1ywu n GLU 109 Ca -0.17 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.83 1ywu n GLU 109 Cb 0.26 -1.40 0.13 0.00 1.43 0.00 0.00 31.44 31.86 1ywu n GLU 109 CO 0.00 0.00 0.00 0.93 -0.16 0.00 0.00 177.13 177.90 1ywu h GLU 110 N 0.00 0.93 0.00 3.44 4.39 -2.00 -1.96 114.58 119.38 1ywu h GLU 110 Ca 0.00 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.64 1ywu h GLU 110 Cb 0.00 -0.21 0.00 0.00 -0.10 0.00 0.00 28.75 28.44 1ywu h GLU 110 CO 0.00 0.62 0.00 1.28 -1.16 0.00 0.00 179.01 179.75 1ywu n LEU 111 N -4.62 0.00 0.01 1.33 4.77 -1.11 -1.33 117.00 116.05 1ywu n LEU 111 Ca 0.12 0.45 0.13 0.00 -0.03 0.00 0.00 56.01 56.67 1ywu n LEU 111 Cb 0.17 -0.45 0.37 0.00 -2.33 0.00 0.00 43.42 41.17 1ywu n LEU 111 CO 0.31 -0.12 0.62 -0.11 -1.33 0.00 0.00 177.39 176.77 1ywu n LEU 112 N -1.45 0.38 -1.09 2.23 0.00 -0.74 -3.38 117.00 112.95 1ywu n LEU 112 Ca 0.06 0.21 0.09 0.00 0.00 0.00 0.00 56.01 56.37 1ywu n LEU 112 Cb 0.23 -0.33 0.26 0.00 0.00 0.00 0.00 43.42 43.59 1ywu n LEU 112 CO 0.19 0.05 0.72 1.21 0.00 0.00 0.00 177.39 179.57 1ywu n GLU 113 N -1.60 3.02 -2.26 1.96 2.13 -0.44 -1.18 120.64 122.27 1ywu n GLU 113 Ca 0.06 -2.50 -0.42 0.00 0.66 0.00 0.00 57.16 54.96 1ywu n GLU 113 Cb 0.35 -1.55 -0.03 0.00 0.27 0.00 0.00 31.44 30.48 1ywu n GLU 113 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 1ywu s ARG 114 N -1.34 4.37 0.90 5.31 0.52 -1.22 -4.98 118.95 122.51 1ywu s ARG 114 Ca 0.39 1.97 -0.10 0.00 -0.52 0.00 0.00 55.73 57.47 1ywu s ARG 114 Cb 0.23 -3.28 0.14 0.00 0.52 0.00 0.00 34.95 32.56 1ywu s ARG 114 CO 0.23 -0.36 1.12 -2.00 0.02 0.00 0.00 175.30 174.31 1ywu s GLU 115 N 0.98 1.12 0.23 3.54 2.56 -1.26 -4.64 118.70 121.23 1ywu s GLU 115 Ca 0.62 1.37 -0.06 0.00 0.00 0.00 0.00 54.97 56.89 1ywu s GLU 115 Cb -0.34 -1.75 0.30 0.00 2.00 0.00 0.00 34.13 34.34 1ywu s GLU 115 CO 0.31 -2.50 1.85 1.25 -0.56 0.00 0.00 175.26 175.61 1ywu h LEU 116 N -1.77 0.81 -2.31 2.70 5.85 -1.93 0.69 115.31 119.35 1ywu h LEU 116 Ca -0.45 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.27 1ywu h LEU 116 Cb 1.27 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 42.14 1ywu h LEU 116 CO 0.45 0.52 -0.04 0.00 -0.34 0.00 0.00 178.44 179.03 1ywu h ALA 117 N 1.38 1.25 -0.01 1.25 0.00 -2.01 -1.35 119.26 119.78 1ywu h ALA 117 Ca 0.35 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.22 1ywu h ALA 117 Cb 0.14 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1ywu h ALA 117 CO -0.16 0.06 -0.57 1.28 0.00 0.00 0.00 179.25 179.85 1ywu n LEU 118 N -3.50 1.27 -4.46 0.00 4.77 0.84 -4.78 117.00 111.13 1ywu n LEU 118 Ca -0.02 -0.45 -0.44 0.00 -0.03 0.00 0.00 56.01 55.07 1ywu n LEU 118 Cb 0.16 -0.07 -0.00 0.00 -2.33 0.00 0.00 43.42 41.18 1ywu n LEU 118 CO 0.26 0.26 1.38 -0.22 -1.33 0.00 0.00 177.39 177.75 1ywu s LEU 119 N -2.71 5.06 0.11 2.23 2.96 0.21 -4.76 118.68 121.78 1ywu s LEU 119 Ca 0.16 -2.98 -0.03 0.00 -0.22 0.00 0.00 54.13 51.06 1ywu s LEU 119 Cb 0.18 -2.40 -0.05 0.00 0.50 0.00 0.00 46.19 44.42 1ywu s LEU 119 CO 0.66 -0.75 0.31 0.54 -1.32 0.00 0.00 176.35 175.79 1ywu s VAL 120 N 1.57 5.26 0.70 1.68 0.11 -1.26 -4.93 120.40 123.53 1ywu s VAL 120 Ca 0.42 -0.15 -0.10 0.00 -2.93 0.00 0.00 61.98 59.22 1ywu s VAL 120 Cb -0.03 -3.63 0.02 0.00 -1.53 0.00 0.00 36.38 31.21 1ywu s VAL 120 CO -0.00 0.07 1.07 -0.55 -3.33 0.00 0.00 175.10 172.36 1ywu s SER 121 N -2.49 5.36 0.62 3.54 0.15 -1.26 -4.90 113.70 114.72 1ywu s SER 121 Ca 0.38 1.01 0.29 0.00 0.70 0.00 0.00 55.95 58.34 1ywu s SER 121 Cb -0.12 -1.81 1.55 0.00 -1.71 0.00 0.00 66.02 63.93 1ywu s SER 121 CO 0.26 -1.36 1.92 0.00 1.20 0.00 0.00 173.24 175.27 1ywu h ALA 122 N -0.62 1.80 -1.10 5.45 0.00 -1.92 -3.33 119.26 119.54 1ywu h ALA 122 Ca -0.45 -0.01 -0.53 0.00 0.00 0.00 0.00 54.91 53.92 1ywu h ALA 122 Cb 1.26 0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.99 1ywu h ALA 122 CO 0.63 -0.52 1.28 -1.58 0.00 0.00 0.00 179.25 179.07 1ywu s HIS 123 N -4.41 2.32 -0.24 0.00 5.65 -1.26 -4.93 115.29 112.42 1ywu s HIS 123 Ca -0.04 -0.36 -0.01 0.00 0.25 0.00 0.00 55.06 54.90 1ywu s HIS 123 Cb 0.13 -4.54 0.07 0.00 -1.18 0.00 0.00 32.58 27.05 1ywu s HIS 123 CO 0.44 -1.95 0.00 0.34 -0.65 0.00 0.00 174.74 172.92 1ywu s ASP 124 N 5.46 3.61 0.00 9.88 -1.08 -1.25 -5.11 116.67 128.18 1ywu s ASP 124 Ca 0.49 -1.17 0.10 0.00 -0.52 0.00 0.00 52.55 51.46 1ywu s ASP 124 Cb -0.03 -0.96 0.08 0.00 -1.46 0.00 0.00 42.92 40.55 1ywu s ASP 124 CO -0.03 -0.29 0.83 0.47 0.52 0.00 0.00 175.17 176.67