#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 0.00 -4.55 3.17 7.64 -1.26 -4.88 113.62 113.74 1ywu n SER 2 Ca 0.00 -0.73 -0.39 0.00 1.01 0.00 0.00 58.87 58.76 1ywu n SER 2 Cb 0.00 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.16 1ywu n SER 2 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1ywu n ASP 3 N -2.20 2.33 0.00 6.43 9.92 -1.26 -2.77 116.55 129.01 1ywu n ASP 3 Ca 0.00 -0.25 0.00 0.00 -0.53 0.00 0.00 54.79 54.01 1ywu n ASP 3 Cb 0.00 -1.51 0.00 0.00 -0.64 0.00 0.00 41.12 38.97 1ywu n ASP 3 CO 0.00 0.00 0.00 1.67 0.13 0.00 0.00 177.20 179.00 1ywu n GLN 4 N 8.86 0.00 -0.07 -1.24 7.27 -1.26 -4.95 117.38 125.99 1ywu n GLN 4 Ca 0.38 0.00 0.09 0.00 0.07 0.00 0.00 57.00 57.54 1ywu n GLN 4 Cb 0.46 0.00 0.12 0.00 2.41 0.00 0.00 30.24 33.24 1ywu n GLN 4 CO 0.00 0.00 0.00 1.58 0.07 0.00 0.00 177.06 178.71 1ywu n HIS 5 N 0.00 0.00 1.63 3.69 -0.00 -1.11 -4.66 115.22 114.76 1ywu n HIS 5 Ca 0.00 -0.93 0.01 0.00 0.46 0.00 0.00 57.72 57.26 1ywu n HIS 5 Cb 0.00 -0.14 0.03 0.00 -0.12 0.00 0.00 29.99 29.76 1ywu n HIS 5 CO 0.00 0.00 0.00 -0.40 0.46 0.00 0.00 176.34 176.40 1ywu n ASP 6 N -1.32 0.52 -0.21 0.26 5.75 -1.26 -4.35 116.55 115.93 1ywu n ASP 6 Ca 0.14 -2.01 0.21 0.00 -0.01 0.00 0.00 54.79 53.12 1ywu n ASP 6 Cb 0.61 -0.13 0.56 0.00 -1.03 0.00 0.00 41.12 41.13 1ywu n ASP 6 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 1ywu h GLU 7 N 0.32 0.29 -0.67 0.11 4.39 -1.96 -1.87 114.58 115.20 1ywu h GLU 7 Ca 0.00 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.68 1ywu h GLU 7 Cb 0.18 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 28.77 1ywu h GLU 7 CO 0.01 0.19 0.00 0.54 -1.16 0.00 0.00 179.01 178.59 1ywu n ARG 8 N -4.45 3.46 -3.81 2.33 5.12 -1.26 -4.91 116.66 113.14 1ywu n ARG 8 Ca 0.18 -2.82 -0.12 0.00 -1.93 0.00 0.00 57.85 53.15 1ywu n ARG 8 Cb 0.74 -1.80 -0.12 0.00 -1.16 0.00 0.00 32.46 30.12 1ywu n ARG 8 CO 0.00 0.00 0.00 0.50 -1.93 0.00 0.00 177.63 176.20 1ywu s ARG 9 N -1.62 0.27 0.21 5.56 6.06 -0.71 -5.16 118.95 123.57 1ywu s ARG 9 Ca 0.50 0.23 0.11 0.00 -2.50 0.00 0.00 55.73 54.07 1ywu s ARG 9 Cb 0.31 0.13 -0.05 0.00 0.06 0.00 0.00 34.95 35.40 1ywu s ARG 9 CO 0.27 -0.04 -0.22 -0.98 -2.50 0.00 0.00 175.30 171.83 1ywu s ARG 10 N -0.03 1.52 0.25 5.12 1.70 -1.26 -4.95 118.95 121.30 1ywu s ARG 10 Ca -0.01 -1.57 0.05 0.00 -0.47 0.00 0.00 55.73 53.73 1ywu s ARG 10 Cb -0.02 -1.75 -0.03 0.00 -0.57 0.00 0.00 34.95 32.58 1ywu s ARG 10 CO 0.00 0.36 0.36 -0.06 -1.08 0.00 0.00 175.30 174.89 1ywu s PHE 11 N -1.94 3.41 -0.70 5.89 0.40 -1.26 -5.06 117.98 118.73 1ywu s PHE 11 Ca 0.22 -0.04 -0.16 0.00 -0.60 0.00 0.00 56.93 56.35 1ywu s PHE 11 Cb -0.07 -1.59 0.15 0.00 0.51 0.00 0.00 43.02 42.02 1ywu s PHE 11 CO 0.11 0.41 0.71 -1.01 0.70 0.00 0.00 175.22 176.14 1ywu s HIS 12 N -2.00 3.35 0.10 0.36 3.76 -1.26 -5.01 115.29 114.59 1ywu s HIS 12 Ca 0.35 -1.47 0.05 0.00 -0.15 0.00 0.00 55.06 53.84 1ywu s HIS 12 Cb -0.09 -3.91 -0.03 0.00 1.11 0.00 0.00 32.58 29.65 1ywu s HIS 12 CO 0.29 -1.13 -0.13 1.03 -0.85 0.00 0.00 174.74 173.95 1ywu s ARG 13 N 1.49 0.92 -0.70 1.40 0.52 -1.26 -5.10 118.95 116.21 1ywu s ARG 13 Ca 0.14 -1.14 -0.20 0.00 -0.52 0.00 0.00 55.73 54.00 1ywu s ARG 13 Cb -0.19 -0.77 0.10 0.00 0.52 0.00 0.00 34.95 34.61 1ywu s ARG 13 CO -0.02 0.15 0.91 0.42 0.02 0.00 0.00 175.30 176.78 1ywu s ILE 14 N -2.02 4.62 -0.25 1.52 -1.09 -1.26 -4.93 121.20 117.79 1ywu s ILE 14 Ca 0.05 -0.92 -0.05 0.00 -2.23 0.00 0.00 60.65 57.51 1ywu s ILE 14 Cb -0.06 -4.64 0.13 0.00 -1.58 0.00 0.00 42.46 36.32 1ywu s ILE 14 CO 0.02 -1.35 0.47 0.00 -1.23 0.00 0.00 174.94 172.85 1ywu s ALA 15 N 3.16 -1.48 0.52 9.38 0.00 -1.26 -3.31 121.76 128.77 1ywu s ALA 15 Ca 0.21 1.47 0.07 0.00 0.00 0.00 0.00 51.96 53.71 1ywu s ALA 15 Cb -0.16 -1.69 0.04 0.00 0.00 0.00 0.00 23.12 21.31 1ywu s ALA 15 CO 0.04 -1.08 0.54 -0.06 0.00 0.00 0.00 175.76 175.19 1ywu s PHE 16 N 2.68 1.87 -0.37 0.00 0.40 -1.26 -5.00 117.98 116.30 1ywu s PHE 16 Ca 0.08 -0.70 0.04 0.00 -0.60 0.00 0.00 56.93 55.76 1ywu s PHE 16 Cb -0.14 -2.10 0.57 0.00 0.51 0.00 0.00 43.02 41.86 1ywu s PHE 16 CO -0.16 -0.61 1.73 -0.25 0.70 0.00 0.00 175.22 176.62 1ywu n ASP 17 N -1.88 3.80 -4.73 1.36 9.92 -1.26 -4.88 116.55 118.89 1ywu n ASP 17 Ca 0.06 -3.25 -0.41 0.00 -0.53 0.00 0.00 54.79 50.66 1ywu n ASP 17 Cb 0.62 -0.76 -0.04 0.00 -0.64 0.00 0.00 41.12 40.30 1ywu n ASP 17 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1ywu s ALA 18 N -2.68 3.29 0.03 2.24 0.00 -1.26 -5.00 121.76 118.38 1ywu s ALA 18 Ca 0.47 0.68 -0.30 0.00 0.00 0.00 0.00 51.96 52.80 1ywu s ALA 18 Cb 0.39 -3.33 -0.06 0.00 0.00 0.00 0.00 23.12 20.12 1ywu s ALA 18 CO 0.10 -0.16 1.35 0.34 0.00 0.00 0.00 175.76 177.39 1ywu s ASP 19 N 0.20 6.90 -0.16 0.00 2.15 -1.14 -4.71 116.67 119.90 1ywu s ASP 19 Ca 0.50 2.12 0.01 0.00 0.43 0.00 0.00 52.55 55.60 1ywu s ASP 19 Cb -0.26 -2.57 0.02 0.00 -0.30 0.00 0.00 42.92 39.82 1ywu s ASP 19 CO 0.31 -0.66 -0.17 -0.44 -0.17 0.00 0.00 175.17 174.05 1ywu s SER 20 N 1.58 2.87 -0.20 -0.34 0.01 -1.26 -0.53 113.70 115.83 1ywu s SER 20 Ca 0.63 -0.55 -0.00 0.00 1.31 0.00 0.00 55.95 57.33 1ywu s SER 20 Cb -0.32 -1.31 0.01 0.00 0.21 0.00 0.00 66.02 64.62 1ywu s SER 20 CO 0.27 -0.03 -0.15 -1.61 0.41 0.00 0.00 173.24 172.13 1ywu s GLU 21 N 1.38 3.05 -0.26 12.44 2.02 -0.87 -0.92 118.70 135.55 1ywu s GLU 21 Ca 0.05 -0.81 -0.09 0.00 0.02 0.00 0.00 54.97 54.14 1ywu s GLU 21 Cb -0.13 -2.72 -0.04 0.00 0.10 0.00 0.00 34.13 31.34 1ywu s GLU 21 CO -0.11 -0.23 0.12 0.42 0.02 0.00 0.00 175.26 175.48 1ywu s ILE 22 N 1.33 4.75 0.21 -1.63 1.09 -0.48 -1.31 121.20 125.16 1ywu s ILE 22 Ca 0.04 -0.02 -0.00 0.00 -1.10 0.00 0.00 60.65 59.57 1ywu s ILE 22 Cb -0.14 -3.24 -0.04 0.00 -1.06 0.00 0.00 42.46 37.98 1ywu s ILE 22 CO -0.10 0.30 0.11 -0.76 -0.10 0.00 0.00 174.94 174.40 1ywu s LEU 23 N 1.67 1.34 -0.32 2.97 1.02 -0.11 -0.41 118.68 124.84 1ywu s LEU 23 Ca 0.07 -1.37 0.13 0.00 0.02 0.00 0.00 54.13 52.98 1ywu s LEU 23 Cb -0.15 0.28 0.47 0.00 0.02 0.00 0.00 46.19 46.81 1ywu s LEU 23 CO 0.07 -0.80 1.11 0.00 0.02 0.00 0.00 176.35 176.75 1ywu n GLN 24 N -0.29 2.58 0.00 1.70 10.64 -0.71 -0.37 117.38 130.93 1ywu n GLN 24 Ca 0.01 -3.88 0.00 0.00 -1.83 0.00 0.00 57.00 51.30 1ywu n GLN 24 Cb 0.66 -1.89 0.00 0.00 -0.86 0.00 0.00 30.24 28.15 1ywu n GLN 24 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1ywu n GLY 25 N -0.52 1.78 0.47 2.61 0.00 -1.26 -4.34 105.19 103.94 1ywu n GLY 25 Ca 0.26 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1ywu n GLY 25 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ywu n GLU 26 N 0.00 1.19 -3.47 1.61 4.71 -1.26 -4.35 120.64 119.07 1ywu n GLU 26 Ca 0.00 -0.17 -0.22 0.00 -0.01 0.00 0.00 57.16 56.76 1ywu n GLU 26 Cb 0.00 -1.44 -0.12 0.00 -1.01 0.00 0.00 31.44 28.87 1ywu n GLU 26 CO 0.00 0.00 0.00 0.50 0.09 0.00 0.00 177.13 177.72 1ywu s ARG 27 N -1.27 0.25 -0.05 3.49 6.06 -1.26 -5.13 118.95 121.04 1ywu s ARG 27 Ca 0.03 -0.26 -0.15 0.00 -2.50 0.00 0.00 55.73 52.85 1ywu s ARG 27 Cb 0.02 -0.95 -0.05 0.00 0.06 0.00 0.00 34.95 34.03 1ywu s ARG 27 CO 0.01 -0.98 0.41 -0.98 -2.50 0.00 0.00 175.30 171.27 1ywu s ARG 28 N 2.25 4.06 -0.48 5.12 1.70 -1.26 -1.74 118.95 128.60 1ywu s ARG 28 Ca 0.09 0.39 0.01 0.00 -0.47 0.00 0.00 55.73 55.74 1ywu s ARG 28 Cb -0.15 -3.30 0.13 0.00 -0.57 0.00 0.00 34.95 31.06 1ywu s ARG 28 CO -0.32 0.51 0.24 -1.58 -1.08 0.00 0.00 175.30 173.08 1ywu s TRP 29 N -0.49 3.47 -0.45 5.89 0.51 0.45 -4.98 118.94 123.33 1ywu s TRP 29 Ca 0.23 -2.86 -0.27 0.00 -2.12 0.00 0.00 56.10 51.08 1ywu s TRP 29 Cb -0.16 -3.03 -0.03 0.00 -0.81 0.00 0.00 33.47 29.45 1ywu s TRP 29 CO 0.12 -0.87 1.91 -2.00 -0.51 0.00 0.00 176.95 175.60 1ywu s GLU 30 N 0.35 2.90 0.36 4.98 2.12 -1.26 -1.39 118.70 126.76 1ywu s GLU 30 Ca 0.14 1.13 0.09 0.00 0.36 0.00 0.00 54.97 56.69 1ywu s GLU 30 Cb -0.22 -4.32 -0.06 0.00 0.26 0.00 0.00 34.13 29.78 1ywu s GLU 30 CO -0.04 -2.38 -0.03 0.54 -0.54 0.00 0.00 175.26 172.81 1ywu s VAL 31 N 8.44 2.32 -0.20 3.70 0.11 -0.10 -5.00 120.40 129.67 1ywu s VAL 31 Ca 0.78 -2.07 -0.14 0.00 -2.93 0.00 0.00 61.98 57.62 1ywu s VAL 31 Cb -0.18 -2.77 -0.04 0.00 -1.53 0.00 0.00 36.38 31.85 1ywu s VAL 31 CO 0.28 -0.16 0.30 -0.76 -3.33 0.00 0.00 175.10 171.43 1ywu s LEU 32 N -3.67 4.18 0.31 2.54 1.43 -1.21 -4.05 118.68 118.21 1ywu s LEU 32 Ca 0.34 0.41 -0.29 0.00 -1.03 0.00 0.00 54.13 53.56 1ywu s LEU 32 Cb 0.03 -2.36 -0.10 0.00 0.03 0.00 0.00 46.19 43.79 1ywu s LEU 32 CO 0.18 0.02 1.33 -0.22 0.23 0.00 0.00 176.35 177.89 1ywu s LEU 33 N 0.94 4.42 0.00 1.79 2.96 -1.26 -0.49 118.68 127.04 1ywu s LEU 33 Ca 0.15 2.68 0.00 0.00 -0.22 0.00 0.00 54.13 56.74 1ywu s LEU 33 Cb -0.14 -3.64 0.00 0.00 0.50 0.00 0.00 46.19 42.91 1ywu s LEU 33 CO 0.05 -0.56 0.00 1.41 -1.32 0.00 0.00 176.35 175.93 1ywu n HIS 34 N 1.09 0.00 -3.57 5.38 8.25 -0.93 -4.79 115.22 120.64 1ywu n HIS 34 Ca 0.01 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.51 1ywu n HIS 34 Cb 0.42 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.52 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 -1.82 -0.02 -0.14 0.41 -1.08 -0.00 -1.03 116.67 112.98 1ywu s ASP 35 Ca 0.00 -0.04 -0.30 0.00 -0.52 0.00 0.00 52.55 51.70 1ywu s ASP 35 Cb 0.00 0.05 0.10 0.00 -1.46 0.00 0.00 42.92 41.61 1ywu s ASP 35 CO 0.00 -0.08 0.86 0.54 0.52 0.00 0.00 175.17 177.00 1ywu s VAL 36 N -2.12 0.00 0.10 1.11 0.11 -1.26 -1.00 120.40 117.35 1ywu s VAL 36 Ca 0.15 0.00 0.02 0.00 -2.93 0.00 0.00 61.98 59.22 1ywu s VAL 36 Cb 0.07 -1.00 -0.01 0.00 -1.53 0.00 0.00 36.38 33.91 1ywu s VAL 36 CO -0.06 0.00 0.08 -1.54 -3.33 0.00 0.00 175.10 170.25 1ywu n SER 37 N 1.11 -0.11 -0.68 3.54 3.41 0.26 -4.65 113.62 116.50 1ywu n SER 37 Ca -0.14 -1.68 0.06 0.00 -0.26 0.00 0.00 58.87 56.86 1ywu n SER 37 Cb 0.57 0.50 0.19 0.00 -0.26 0.00 0.00 64.21 65.21 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 1.99 -0.15 1.04 7.94 -0.49 -3.44 117.00 123.89 1ywu n LEU 38 Ca 0.02 -0.98 0.04 0.00 -1.11 0.00 0.00 56.01 53.98 1ywu n LEU 38 Cb 0.19 -0.24 -0.01 0.00 0.53 0.00 0.00 43.42 43.89 1ywu n LEU 38 CO 0.10 0.49 0.17 1.41 -1.11 0.00 0.00 177.39 178.44 1ywu n HIS 39 N 0.58 0.00 -1.35 1.96 8.25 -1.26 -4.94 115.22 118.46 1ywu n HIS 39 Ca 0.13 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.59 1ywu n HIS 39 Cb 0.32 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.43 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 0.82 -0.18 3.11 -1.41 0.00 -1.22 -3.11 105.19 103.20 1ywu n GLY 40 Ca 0.03 -1.63 -0.14 0.00 0.00 0.00 0.00 46.02 44.28 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 -2.21 0.73 -0.25 -0.61 2.07 -0.87 -0.58 121.20 119.48 1ywu s ILE 41 Ca 0.00 -1.30 -0.01 0.00 -1.41 0.00 0.00 60.65 57.93 1ywu s ILE 41 Cb 0.00 -0.93 0.07 0.00 0.13 0.00 0.00 42.46 41.73 1ywu s ILE 41 CO 0.00 -0.43 0.02 -0.22 -1.91 0.00 0.00 174.94 172.40 1ywu s LEU 42 N -1.91 2.15 0.40 8.50 2.96 -0.17 -1.58 118.68 129.03 1ywu s LEU 42 Ca -0.04 -1.25 0.08 0.00 -0.22 0.00 0.00 54.13 52.70 1ywu s LEU 42 Cb -0.07 -0.93 -0.05 0.00 0.50 0.00 0.00 46.19 45.64 1ywu s LEU 42 CO 0.00 -0.32 0.18 0.68 -1.32 0.00 0.00 176.35 175.58 1ywu s VAL 43 N 1.58 2.45 -0.26 1.68 -7.23 -1.03 -0.82 120.40 116.76 1ywu s VAL 43 Ca 0.01 -1.68 0.01 0.00 -1.81 0.00 0.00 61.98 58.50 1ywu s VAL 43 Cb -0.18 -2.98 0.05 0.00 0.56 0.00 0.00 36.38 33.83 1ywu s VAL 43 CO -0.12 -0.04 -0.07 -0.83 -0.31 0.00 0.00 175.10 173.73 1ywu s GLY 44 N -3.90 1.66 -0.01 2.32 0.00 0.36 -0.44 107.32 107.30 1ywu s GLY 44 Ca 0.41 -1.67 -0.22 0.00 0.00 0.00 0.00 44.72 43.24 1ywu s GLY 44 CO 0.23 0.60 0.64 1.62 0.00 0.00 0.00 173.10 176.18 1ywu s GLN 45 N 1.20 4.37 0.00 2.90 2.00 0.16 -3.33 119.66 126.96 1ywu s GLN 45 Ca -0.05 0.80 0.00 0.00 -2.00 0.00 0.00 55.36 54.11 1ywu s GLN 45 Cb -0.19 -3.37 0.00 0.00 0.80 0.00 0.00 33.01 30.25 1ywu s GLN 45 CO -0.04 0.29 0.93 -2.30 -0.50 0.00 0.00 175.29 173.66 1ywu n PRO 46 N 2.97 0.00 0.07 1.67 -0.02 -1.26 -4.58 135.00 133.84 1ywu n PRO 46 Ca -0.05 0.50 0.00 0.00 -2.02 0.00 0.00 63.50 61.93 1ywu n PRO 46 Cb 0.51 -1.43 0.00 0.00 -0.02 0.00 0.00 33.50 32.56 1ywu n PRO 46 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 1ywu n GLN 47 N -1.91 0.00 -1.83 -0.52 7.27 -1.26 -4.94 117.38 114.19 1ywu n GLN 47 Ca 0.00 0.00 -0.43 0.00 0.07 0.00 0.00 57.00 56.64 1ywu n GLN 47 Cb 0.00 0.00 -0.03 0.00 2.41 0.00 0.00 30.24 32.62 1ywu n GLN 47 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 1ywu s ASP 48 N -3.31 6.14 -0.06 1.69 1.11 -1.26 -4.94 116.67 116.03 1ywu s ASP 48 Ca 0.00 2.04 -0.30 0.00 0.18 0.00 0.00 52.55 54.47 1ywu s ASP 48 Cb 0.00 -2.53 0.07 0.00 1.07 0.00 0.00 42.92 41.53 1ywu s ASP 48 CO 0.00 -1.39 0.67 0.86 1.18 0.00 0.00 175.17 176.48 1ywu s TRP 49 N 5.85 -0.65 -0.01 4.23 -0.11 -1.26 -5.06 118.94 121.94 1ywu s TRP 49 Ca 0.85 1.14 -0.01 0.00 1.22 0.00 0.00 56.10 59.31 1ywu s TRP 49 Cb -0.33 0.39 -0.01 0.00 -1.50 0.00 0.00 33.47 32.02 1ywu s TRP 49 CO 0.35 -0.58 0.26 -0.97 -4.62 0.00 0.00 176.95 171.38 1ywu h ASN 50 N 3.17 -0.03 0.00 5.86 -0.73 -2.05 -3.49 115.58 118.31 1ywu h ASN 50 Ca -0.27 0.00 0.00 0.00 1.87 0.00 0.00 56.30 57.90 1ywu h ASN 50 Cb 1.14 0.01 0.00 0.00 0.27 0.00 0.00 38.32 39.74 1ywu h ASN 50 CO 0.37 0.02 0.00 0.61 -0.37 0.00 0.00 177.43 178.06 1ywu n GLY 51 N 1.24 1.18 3.52 1.57 0.00 -1.26 -5.08 105.19 106.37 1ywu n GLY 51 Ca -0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.88 6.33 0.07 1.61 1.11 -1.26 -4.90 116.67 117.76 1ywu s ASP 52 Ca 0.00 -0.30 0.09 0.00 0.18 0.00 0.00 52.55 52.52 1ywu s ASP 52 Cb 0.00 -2.32 0.42 0.00 1.07 0.00 0.00 42.92 42.09 1ywu s ASP 52 CO 0.00 -0.78 1.28 -2.65 1.18 0.00 0.00 175.17 174.21 1ywu n PRO 53 N 6.27 0.04 0.05 8.23 -0.02 -1.26 -1.58 135.00 146.73 1ywu n PRO 53 Ca -0.01 0.45 0.13 0.00 -2.02 0.00 0.00 63.50 62.04 1ywu n PRO 53 Cb 0.48 -1.60 0.34 0.00 -0.02 0.00 0.00 33.50 32.70 1ywu n PRO 53 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1ywu n GLN 54 N -1.68 0.18 -3.44 -0.52 3.00 -1.26 -4.19 117.38 109.47 1ywu n GLN 54 Ca 0.01 0.09 -0.38 0.00 -0.01 0.00 0.00 57.00 56.72 1ywu n GLN 54 Cb 0.07 -1.65 -0.07 0.00 0.00 0.00 0.00 30.24 28.58 1ywu n GLN 54 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.06 178.09 1ywu s ARG 55 N -3.09 4.20 0.52 -1.09 0.52 -0.62 -5.04 118.95 114.35 1ywu s ARG 55 Ca 0.10 0.16 -0.19 0.00 -0.52 0.00 0.00 55.73 55.27 1ywu s ARG 55 Cb 0.15 -3.50 -0.07 0.00 0.52 0.00 0.00 34.95 32.04 1ywu s ARG 55 CO 0.64 0.05 1.07 -1.25 0.02 0.00 0.00 175.30 175.83 1ywu s PRO 56 N 1.05 3.61 0.03 3.54 0.04 -1.26 -3.94 135.00 138.08 1ywu s PRO 56 Ca 0.18 1.41 0.02 0.00 0.04 0.00 0.00 61.00 62.65 1ywu s PRO 56 Cb -0.14 -2.06 -0.02 0.00 0.04 0.00 0.00 34.50 32.32 1ywu s PRO 56 CO 0.07 -0.60 -0.07 -0.06 0.04 0.00 0.00 177.00 176.38 1ywu s PHE 57 N -1.98 0.65 -0.11 0.56 0.08 -0.07 -4.72 117.98 112.39 1ywu s PHE 57 Ca 0.68 -0.42 0.00 0.00 0.12 0.00 0.00 56.93 57.32 1ywu s PHE 57 Cb -0.18 -0.39 -0.02 0.00 -0.57 0.00 0.00 43.02 41.85 1ywu s PHE 57 CO 0.24 -0.07 -0.11 -1.21 -0.10 0.00 0.00 175.22 173.97 1ywu s GLU 58 N -1.29 3.12 -0.23 0.44 2.02 0.50 -1.46 118.70 121.81 1ywu s GLU 58 Ca -0.07 -0.65 -0.04 0.00 0.02 0.00 0.00 54.97 54.23 1ywu s GLU 58 Cb -0.08 -2.60 -0.00 0.00 0.10 0.00 0.00 34.13 31.54 1ywu s GLU 58 CO 0.00 0.38 -0.04 0.00 0.02 0.00 0.00 175.26 175.62 1ywu s ALA 59 N -0.06 2.81 -0.27 5.21 0.00 -0.61 -0.94 121.76 127.90 1ywu s ALA 59 Ca -0.02 -1.20 -0.02 0.00 0.00 0.00 0.00 51.96 50.72 1ywu s ALA 59 Cb -0.14 -1.71 0.04 0.00 0.00 0.00 0.00 23.12 21.30 1ywu s ALA 59 CO 0.04 -0.48 -0.03 1.03 0.00 0.00 0.00 175.76 176.32 1ywu s ARG 60 N 1.47 2.67 -0.34 0.00 0.52 -0.43 -1.27 118.95 121.58 1ywu s ARG 60 Ca 0.05 -1.10 -0.12 0.00 -0.52 0.00 0.00 55.73 54.04 1ywu s ARG 60 Cb -0.14 -3.10 -0.01 0.00 0.52 0.00 0.00 34.95 32.22 1ywu s ARG 60 CO -0.03 -0.50 0.23 -0.51 0.02 0.00 0.00 175.30 174.50 1ywu s LEU 61 N 1.30 4.46 -0.37 2.53 1.43 0.42 -2.04 118.68 126.42 1ywu s LEU 61 Ca -0.02 -0.46 -0.21 0.00 -1.03 0.00 0.00 54.13 52.42 1ywu s LEU 61 Cb -0.18 -2.11 0.01 0.00 0.03 0.00 0.00 46.19 43.93 1ywu s LEU 61 CO -0.03 -0.23 0.65 -0.31 0.23 0.00 0.00 176.35 176.67 1ywu s TYR 62 N 1.70 3.14 -0.98 0.29 2.02 0.31 -0.42 117.35 123.40 1ywu s TYR 62 Ca 0.06 0.33 0.08 0.00 -0.37 0.00 0.00 57.07 57.17 1ywu s TYR 62 Cb -0.17 -3.19 0.09 0.00 -0.40 0.00 0.00 41.96 38.29 1ywu s TYR 62 CO 0.10 -0.67 0.83 1.28 -1.57 0.00 0.00 175.55 175.52 1ywu n LEU 63 N 6.11 1.85 0.00 -1.29 7.99 -0.44 -2.89 117.00 128.33 1ywu n LEU 63 Ca -0.01 -1.16 0.00 0.00 -0.01 0.00 0.00 56.01 54.83 1ywu n LEU 63 Cb 0.48 -0.03 0.00 0.00 -0.11 0.00 0.00 43.42 43.77 1ywu n LEU 63 CO 0.50 0.39 0.00 0.61 -1.51 0.00 0.00 177.39 177.38 1ywu n GLY 64 N 0.43 -0.97 0.14 -0.72 0.00 -0.96 -4.84 105.19 98.27 1ywu n GLY 64 Ca 0.05 -0.79 -0.23 0.00 0.00 0.00 0.00 46.02 45.06 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 0.69 0.00 0.99 3.38 -2.01 -3.37 115.31 114.99 1ywu h LEU 65 Ca 0.00 -0.90 -0.32 0.00 0.09 0.00 0.00 57.88 56.75 1ywu h LEU 65 Cb 0.00 -0.22 -0.06 0.00 0.09 0.00 0.00 40.66 40.47 1ywu h LEU 65 CO 0.00 1.74 -2.14 -0.67 0.09 0.00 0.00 178.44 177.46 1ywu n ASP 66 N -3.63 0.27 -4.56 -0.43 -0.08 -1.26 -4.79 116.55 102.08 1ywu n ASP 66 Ca -0.21 0.13 -0.41 0.00 -1.51 0.00 0.00 54.79 52.78 1ywu n ASP 66 Cb 1.09 0.73 -0.03 0.00 2.34 0.00 0.00 41.12 45.25 1ywu n ASP 66 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 1ywu s VAL 67 N -2.60 3.95 -0.26 5.18 1.01 -1.26 -4.93 120.40 121.49 1ywu s VAL 67 Ca -0.08 -0.77 0.01 0.00 0.00 0.00 0.00 61.98 61.14 1ywu s VAL 67 Cb 0.07 -5.05 0.05 0.00 0.00 0.00 0.00 36.38 31.45 1ywu s VAL 67 CO 0.83 -1.92 -0.08 -0.22 0.00 0.00 0.00 175.10 173.71 1ywu s LEU 68 N 4.91 3.40 -0.69 3.92 2.96 -1.26 -1.33 118.68 130.58 1ywu s LEU 68 Ca 0.45 -1.21 -0.23 0.00 -0.22 0.00 0.00 54.13 52.92 1ywu s LEU 68 Cb -0.00 -1.60 0.07 0.00 0.50 0.00 0.00 46.19 45.15 1ywu s LEU 68 CO -0.09 -0.18 1.02 -0.63 -1.32 0.00 0.00 176.35 175.15 1ywu s ILE 69 N 1.19 4.26 -0.04 6.68 1.01 0.43 -4.90 121.20 129.84 1ywu s ILE 69 Ca -0.05 -0.33 -0.07 0.00 0.00 0.00 0.00 60.65 60.20 1ywu s ILE 69 Cb -0.19 -4.73 -0.05 0.00 0.01 0.00 0.00 42.46 37.51 1ywu s ILE 69 CO -0.05 -1.52 0.23 0.00 0.00 0.00 0.00 174.94 173.60 1ywu s ARG 70 N 4.23 3.56 -0.14 2.79 1.70 -1.26 -0.44 118.95 129.39 1ywu s ARG 70 Ca 0.25 -0.06 -0.08 0.00 -0.47 0.00 0.00 55.73 55.37 1ywu s ARG 70 Cb -0.15 -3.14 0.05 0.00 -0.57 0.00 0.00 34.95 31.14 1ywu s ARG 70 CO 0.10 0.71 0.33 0.00 -1.08 0.00 0.00 175.30 175.35 1ywu s MET 71 N -1.42 0.31 -0.19 3.89 0.23 -0.39 -4.39 119.30 117.32 1ywu s MET 71 Ca 0.22 0.64 -0.19 0.00 -1.03 0.00 0.00 55.69 55.34 1ywu s MET 71 Cb -0.13 -0.05 -0.03 0.00 -1.53 0.00 0.00 34.83 33.09 1ywu s MET 71 CO 0.12 -0.15 0.52 -1.21 -2.03 0.00 0.00 175.02 172.27 1ywu s GLU 72 N 1.22 4.21 0.13 3.16 2.02 -0.45 -1.57 118.70 127.41 1ywu s GLU 72 Ca -0.09 0.43 0.03 0.00 0.02 0.00 0.00 54.97 55.37 1ywu s GLU 72 Cb -0.09 -3.55 -0.04 0.00 0.10 0.00 0.00 34.13 30.55 1ywu s GLU 72 CO -0.10 -0.13 -0.08 0.96 0.02 0.00 0.00 175.26 175.94 1ywu s ILE 73 N 1.55 0.92 -0.03 -1.63 -4.36 -0.54 -0.31 121.20 116.81 1ywu s ILE 73 Ca 0.25 -2.00 0.05 0.00 -0.26 0.00 0.00 60.65 58.69 1ywu s ILE 73 Cb -0.15 -1.79 -0.01 0.00 1.25 0.00 0.00 42.46 41.76 1ywu s ILE 73 CO 0.10 -0.79 -0.19 -0.44 0.24 0.00 0.00 174.94 173.86 1ywu s SER 74 N -3.11 2.30 0.09 4.36 0.01 -0.26 -0.89 113.70 116.20 1ywu s SER 74 Ca 0.15 -0.37 -0.31 0.00 1.31 0.00 0.00 55.95 56.73 1ywu s SER 74 Cb 0.04 -0.44 -0.09 0.00 0.21 0.00 0.00 66.02 65.74 1ywu s SER 74 CO -0.02 0.21 1.64 -0.22 0.41 0.00 0.00 173.24 175.26 1ywu s LEU 75 N -0.24 4.37 -0.23 2.44 2.96 -1.25 -0.49 118.68 126.23 1ywu s LEU 75 Ca 0.02 2.52 -0.09 0.00 -0.22 0.00 0.00 54.13 56.35 1ywu s LEU 75 Cb -0.10 -3.57 -0.11 0.00 0.50 0.00 0.00 46.19 42.92 1ywu s LEU 75 CO 0.01 -0.88 -0.28 0.00 -1.32 0.00 0.00 176.35 173.88 1ywu n ALA 76 N 5.28 1.51 -3.31 5.97 0.00 0.21 -4.37 120.51 125.80 1ywu n ALA 76 Ca 0.15 -0.92 -0.14 0.00 0.00 0.00 0.00 53.44 52.53 1ywu n ALA 76 Cb 0.40 0.17 -0.09 0.00 0.00 0.00 0.00 19.45 19.93 1ywu n ALA 76 CO 0.00 0.00 0.00 1.67 0.00 0.00 0.00 177.50 179.17 1ywu s TRP 77 N -2.43 -0.34 -0.09 0.00 1.48 -1.04 -4.90 118.94 111.63 1ywu s TRP 77 Ca -0.32 0.64 -0.02 0.00 -1.06 0.00 0.00 56.10 55.34 1ywu s TRP 77 Cb 0.12 0.16 0.04 0.00 -1.16 0.00 0.00 33.47 32.63 1ywu s TRP 77 CO 0.42 -0.38 0.04 0.00 -4.06 0.00 0.00 176.95 172.97 1ywu s ALA 78 N -0.89 0.52 -0.09 2.67 0.00 -1.26 -0.41 121.76 122.30 1ywu s ALA 78 Ca -0.10 -0.11 -0.00 0.00 0.00 0.00 0.00 51.96 51.76 1ywu s ALA 78 Cb -0.04 -0.80 0.02 0.00 0.00 0.00 0.00 23.12 22.31 1ywu s ALA 78 CO 0.04 -0.67 -0.06 0.50 0.00 0.00 0.00 175.76 175.57 1ywu s ARG 79 N 2.06 1.22 1.68 0.00 6.06 -0.77 -4.99 118.95 124.21 1ywu s ARG 79 Ca 0.04 -0.16 0.00 0.00 -2.50 0.00 0.00 55.73 53.10 1ywu s ARG 79 Cb -0.13 -1.31 0.00 0.00 0.06 0.00 0.00 34.95 33.57 1ywu s ARG 79 CO -0.05 -0.21 0.00 -0.25 -2.50 0.00 0.00 175.30 172.29 1ywu n ASP 80 N 4.72 0.00 0.00 -2.12 8.00 -1.26 -1.33 116.55 124.55 1ywu n ASP 80 Ca -0.14 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.36 1ywu n ASP 80 Cb 0.50 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.60 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 0.49 3.65 0.44 0.00 -1.26 -4.93 105.19 103.58 1ywu n GLY 81 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.40 4.13 -0.29 0.99 2.01 -0.45 0.40 118.68 124.06 1ywu s LEU 82 Ca 0.00 0.93 -0.08 0.00 0.01 0.00 0.00 54.13 55.00 1ywu s LEU 82 Cb 0.00 -3.02 -0.00 0.00 0.01 0.00 0.00 46.19 43.17 1ywu s LEU 82 CO 0.00 -0.36 0.10 -0.76 1.01 0.00 0.00 176.35 176.34 1ywu s LEU 83 N 2.24 3.86 -0.29 1.79 1.43 0.41 -1.85 118.68 126.27 1ywu s LEU 83 Ca 0.32 -0.56 -0.14 0.00 -1.03 0.00 0.00 54.13 52.72 1ywu s LEU 83 Cb -0.16 -1.93 -0.03 0.00 0.03 0.00 0.00 46.19 44.10 1ywu s LEU 83 CO 0.10 -0.16 0.32 -0.83 0.23 0.00 0.00 176.35 176.01 1ywu s GLY 84 N 1.56 1.90 -0.08 -3.19 0.00 0.46 -2.47 107.32 105.50 1ywu s GLY 84 Ca 0.04 -1.00 0.02 0.00 0.00 0.00 0.00 44.72 43.79 1ywu s GLY 84 CO 0.04 0.90 -0.14 -1.36 0.00 0.00 0.00 173.10 172.54 1ywu s PHE 85 N 1.97 2.75 0.04 1.90 0.40 -0.62 -0.62 117.98 123.80 1ywu s PHE 85 Ca 0.12 -0.32 -0.24 0.00 -0.60 0.00 0.00 56.93 55.89 1ywu s PHE 85 Cb -0.16 -1.70 -0.06 0.00 0.51 0.00 0.00 43.02 41.61 1ywu s PHE 85 CO 0.11 0.06 0.73 -1.21 0.70 0.00 0.00 175.22 175.60 1ywu s GLU 86 N -0.36 4.46 -0.04 0.44 2.02 0.36 -2.06 118.70 123.51 1ywu s GLU 86 Ca 0.04 1.00 -0.29 0.00 0.02 0.00 0.00 54.97 55.74 1ywu s GLU 86 Cb -0.12 -3.35 -0.03 0.00 0.10 0.00 0.00 34.13 30.73 1ywu s GLU 86 CO 0.02 0.32 0.94 0.00 0.02 0.00 0.00 175.26 176.57 1ywu n GLN 88 N 4.20 0.45 -3.96 0.00 6.02 0.58 -4.92 117.38 119.75 1ywu n GLN 88 Ca 0.06 0.17 -0.30 0.00 -0.01 0.00 0.00 57.00 56.92 1ywu n GLN 88 Cb 0.50 -1.28 -0.16 0.00 1.02 0.00 0.00 30.24 30.33 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 -2.38 2.20 -0.28 1.08 5.04 -0.91 -5.00 115.29 115.04 1ywu s HIS 89 Ca -0.28 -1.45 0.03 0.00 -1.54 0.00 0.00 55.06 51.82 1ywu s HIS 89 Cb 0.10 -1.54 0.07 0.00 0.04 0.00 0.00 32.58 31.26 1ywu s HIS 89 CO 0.39 -0.71 -0.04 0.42 -2.34 0.00 0.00 174.74 172.46 1ywu s ILE 90 N 1.47 2.00 0.49 0.89 1.09 -1.26 -1.34 121.20 124.53 1ywu s ILE 90 Ca -0.01 -1.76 -0.24 0.00 -1.10 0.00 0.00 60.65 57.55 1ywu s ILE 90 Cb -0.16 -2.27 -0.07 0.00 -1.06 0.00 0.00 42.46 38.90 1ywu s ILE 90 CO -0.08 -0.26 1.40 0.47 -0.10 0.00 0.00 174.94 176.37 1ywu n ASP 91 N 4.45 3.05 -0.03 3.58 8.00 -1.26 -4.82 116.55 129.52 1ywu n ASP 91 Ca -0.07 1.06 0.02 0.00 0.71 0.00 0.00 54.79 56.51 1ywu n ASP 91 Cb 0.42 -1.59 0.35 0.00 -0.02 0.00 0.00 41.12 40.28 1ywu n ASP 91 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1ywu h LEU 92 N 1.93 0.53 -0.38 0.64 3.38 -1.98 0.62 115.31 120.05 1ywu h LEU 92 Ca -0.51 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.40 1ywu h LEU 92 Cb 1.28 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.88 1ywu h LEU 92 CO 0.59 0.47 0.17 -0.78 0.09 0.00 0.00 178.44 178.99 1ywu h ASP 93 N 0.60 0.51 -0.60 -0.43 3.58 -1.99 0.29 116.42 118.38 1ywu h ASP 93 Ca 0.15 -0.14 -0.00 0.00 0.42 0.00 0.00 57.03 57.45 1ywu h ASP 93 Cb 0.10 -0.13 -0.03 0.00 1.72 0.00 0.00 39.33 40.99 1ywu h ASP 93 CO -0.02 0.51 0.36 0.28 -2.88 0.00 0.00 179.24 177.50 1ywu h SER 94 N 0.47 0.72 -0.49 2.28 0.02 -1.56 -0.34 113.55 114.65 1ywu h SER 94 Ca 0.13 -0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.03 1ywu h SER 94 Cb 0.15 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.48 1ywu h SER 94 CO -0.01 0.56 0.32 0.40 -1.14 0.00 0.00 176.83 176.96 1ywu h ILE 95 N 0.81 1.13 -0.04 3.27 2.04 -0.74 -1.96 117.51 122.02 1ywu h ILE 95 Ca 0.21 -0.24 0.02 0.00 1.00 0.00 0.00 64.86 65.86 1ywu h ILE 95 Cb -0.03 0.42 -0.02 0.00 -0.74 0.00 0.00 36.82 36.45 1ywu h ILE 95 CO -0.04 0.12 -0.08 0.28 0.00 0.00 0.00 178.15 178.44 1ywu h SER 96 N 0.66 -0.23 -0.25 1.72 0.02 -0.43 -0.31 113.55 114.73 1ywu h SER 96 Ca 0.18 0.04 0.06 0.00 -0.84 0.00 0.00 61.79 61.23 1ywu h SER 96 Cb -0.07 0.11 -0.06 0.00 0.14 0.00 0.00 62.40 62.52 1ywu h SER 96 CO -0.04 -0.11 -0.12 0.45 -1.14 0.00 0.00 176.83 175.88 1ywu h HIS 97 N -0.11 -0.28 0.02 3.45 3.86 -0.84 -0.46 115.15 120.79 1ywu h HIS 97 Ca 0.05 0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.28 1ywu h HIS 97 Cb 0.17 0.16 0.00 0.00 1.06 0.00 0.00 27.41 28.81 1ywu h HIS 97 CO -0.16 -0.18 -0.01 1.25 0.86 0.00 0.00 177.93 179.69 1ywu h LEU 98 N -0.08 -0.02 -0.49 2.43 5.85 -1.11 -1.63 115.31 120.25 1ywu h LEU 98 Ca 0.13 -0.18 -0.07 0.00 0.84 0.00 0.00 57.88 58.60 1ywu h LEU 98 Cb 0.28 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.30 1ywu h LEU 98 CO -0.30 0.16 0.02 -0.09 -0.34 0.00 0.00 178.44 177.89 1ywu h ARG 99 N -0.21 0.86 -0.79 1.25 2.43 -0.88 -1.48 114.38 115.56 1ywu h ARG 99 Ca -0.00 -0.27 -0.05 0.00 -0.81 0.00 0.00 59.98 58.85 1ywu h ARG 99 Cb 0.20 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.63 1ywu h ARG 99 CO 0.00 0.89 0.30 0.00 -1.51 0.00 0.00 179.97 179.66 1ywu h ARG 100 N 0.72 1.20 -0.32 0.20 2.47 -1.07 -0.43 114.38 117.14 1ywu h ARG 100 Ca 0.14 -0.23 -0.00 0.00 -1.26 0.00 0.00 59.98 58.64 1ywu h ARG 100 Cb 0.49 -0.19 -0.02 0.00 -1.65 0.00 0.00 29.97 28.60 1ywu h ARG 100 CO 0.02 0.98 0.20 1.25 0.56 0.00 0.00 179.97 182.98 1ywu h LEU 101 N 1.16 0.38 -0.58 3.04 5.85 -0.92 0.16 115.31 124.41 1ywu h LEU 101 Ca 0.26 -0.04 -0.11 0.00 0.84 0.00 0.00 57.88 58.83 1ywu h LEU 101 Cb 0.24 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.15 1ywu h LEU 101 CO -0.02 0.31 -0.10 0.58 -0.34 0.00 0.00 178.44 178.87 1ywu h VAL 102 N 0.42 1.27 -0.28 1.05 2.07 -1.01 -2.68 116.25 117.08 1ywu h VAL 102 Ca 0.12 -1.26 -0.05 0.00 0.82 0.00 0.00 66.70 66.32 1ywu h VAL 102 Cb -0.01 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 30.70 1ywu h VAL 102 CO -0.02 0.45 -0.03 -0.08 0.02 0.00 0.00 177.57 177.90 1ywu h GLU 103 N 0.91 0.52 0.00 1.57 4.81 -0.83 0.15 114.58 121.71 1ywu h GLU 103 Ca 0.14 -0.18 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1ywu h GLU 103 Cb 0.67 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.01 1ywu h GLU 103 CO 0.05 0.70 0.00 1.28 -0.73 0.00 0.00 179.01 180.31 1ywu n LEU 104 N -4.55 0.00 -0.20 1.64 4.32 0.02 -1.55 117.00 116.68 1ywu n LEU 104 Ca -0.03 0.49 0.05 0.00 -0.02 0.00 0.00 56.01 56.50 1ywu n LEU 104 Cb 0.28 -0.49 -0.01 0.00 -1.62 0.00 0.00 43.42 41.58 1ywu n LEU 104 CO 0.39 -0.24 0.18 0.59 -1.22 0.00 0.00 177.39 177.09 1ywu n ASN 105 N -1.49 1.12 -3.55 -1.43 3.02 -1.02 -5.01 115.26 106.90 1ywu n ASN 105 Ca 0.04 -1.06 -0.22 0.00 -0.03 0.00 0.00 54.58 53.31 1ywu n ASN 105 Cb 0.17 0.54 0.08 0.00 -0.61 0.00 0.00 39.78 39.97 1ywu n ASN 105 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 1ywu n LEU 106 N -0.38 -3.60 -1.12 3.41 7.94 -0.09 -4.89 117.00 118.26 1ywu n LEU 106 Ca 0.04 -0.57 0.05 0.00 -1.11 0.00 0.00 56.01 54.42 1ywu n LEU 106 Cb 0.20 -3.06 0.22 0.00 0.53 0.00 0.00 43.42 41.31 1ywu n LEU 106 CO 0.14 0.57 0.62 0.61 -1.11 0.00 0.00 177.39 178.22 1ywu n GLY 107 N -1.74 1.87 1.54 -3.96 0.00 -0.41 -4.99 105.19 97.50 1ywu n GLY 107 Ca -0.08 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.43 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 -6.16 0.26 1.61 8.00 -1.26 -4.78 116.55 114.70 1ywu n ASP 108 Ca 0.15 0.89 0.15 0.00 0.71 0.00 0.00 54.79 56.70 1ywu n ASP 108 Cb 0.64 -3.39 0.57 0.00 -0.02 0.00 0.00 41.12 38.92 1ywu n ASP 108 CO 0.00 0.00 0.00 1.05 -0.39 0.00 0.00 177.20 177.86 1ywu h GLU 109 N 2.50 0.00 -0.56 -1.24 4.11 -1.94 -3.18 114.58 114.27 1ywu h GLU 109 Ca 0.00 0.00 0.01 0.00 0.07 0.00 0.00 59.36 59.44 1ywu h GLU 109 Cb 0.00 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 1ywu h GLU 109 CO 0.00 0.04 0.37 1.49 0.07 0.00 0.00 179.01 180.98 1ywu h GLU 110 N 0.00 0.71 0.00 1.06 4.22 -1.96 -1.47 114.58 117.13 1ywu h GLU 110 Ca -0.00 -0.04 -0.04 0.00 0.08 0.00 0.00 59.36 59.36 1ywu h GLU 110 Cb 0.63 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 1ywu h GLU 110 CO 0.01 0.47 -0.20 -0.07 -2.18 0.00 0.00 179.01 177.04 1ywu h LEU 111 N 0.73 0.00 -0.10 1.64 3.38 -1.85 -1.83 115.31 117.27 1ywu h LEU 111 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 1ywu h LEU 111 Cb -0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.71 1ywu h LEU 111 CO -0.05 0.20 0.00 0.18 0.09 0.00 0.00 178.44 178.86 1ywu n LEU 112 N -3.87 0.43 -2.10 1.67 4.77 -0.56 -3.59 117.00 113.76 1ywu n LEU 112 Ca -0.02 0.56 -0.11 0.00 -0.03 0.00 0.00 56.01 56.41 1ywu n LEU 112 Cb 0.29 -0.44 0.05 0.00 -2.33 0.00 0.00 43.42 40.99 1ywu n LEU 112 CO 0.34 -0.18 0.13 -0.62 -1.33 0.00 0.00 177.39 175.72 1ywu n GLU 113 N -1.92 2.55 0.00 3.23 1.02 -0.69 -1.39 120.64 123.43 1ywu n GLU 113 Ca 0.05 -3.72 0.00 0.00 -0.02 0.00 0.00 57.16 53.47 1ywu n GLU 113 Cb 0.34 -1.84 0.00 0.00 -0.02 0.00 0.00 31.44 29.92 1ywu n GLU 113 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1ywu n ARG 114 N -0.64 0.00 -3.64 3.49 1.74 -1.20 -5.04 116.66 111.37 1ywu n ARG 114 Ca 0.27 0.00 -0.02 0.00 -0.77 0.00 0.00 57.85 57.33 1ywu n ARG 114 Cb 0.90 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 32.30 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 0.00 0.04 0.28 5.56 2.56 -1.26 -4.93 118.70 120.96 1ywu s GLU 115 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 54.97 54.96 1ywu s GLU 115 Cb 0.00 0.02 0.45 0.00 2.00 0.00 0.00 34.13 36.60 1ywu s GLU 115 CO 0.00 -0.02 1.90 1.25 -0.56 0.00 0.00 175.26 177.84 1ywu h LEU 116 N 2.03 0.99 0.00 2.70 5.85 -1.94 0.61 115.31 125.55 1ywu h LEU 116 Ca -0.06 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.66 1ywu h LEU 116 Cb 1.17 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.99 1ywu h LEU 116 CO 0.21 0.64 0.00 0.00 -0.34 0.00 0.00 178.44 178.95 1ywu n ALA 117 N -2.38 2.10 0.69 1.25 0.00 -1.26 -2.38 120.51 118.52 1ywu n ALA 117 Ca 0.14 -0.09 0.07 0.00 0.00 0.00 0.00 53.44 53.56 1ywu n ALA 117 Cb 0.17 -1.36 -0.08 0.00 0.00 0.00 0.00 19.45 18.18 1ywu n ALA 117 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1ywu n LEU 118 N -1.37 0.69 -4.53 0.00 4.77 0.18 -4.94 117.00 111.80 1ywu n LEU 118 Ca 0.09 -0.49 -0.43 0.00 -0.03 0.00 0.00 56.01 55.15 1ywu n LEU 118 Cb 0.21 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.24 1ywu n LEU 118 CO 0.18 0.17 0.46 -0.76 -1.33 0.00 0.00 177.39 176.11 1ywu s LEU 119 N -2.73 4.38 0.09 2.23 1.02 0.84 -4.76 118.68 119.76 1ywu s LEU 119 Ca 0.05 -0.21 0.02 0.00 0.02 0.00 0.00 54.13 54.01 1ywu s LEU 119 Cb 0.11 -2.83 -0.04 0.00 0.02 0.00 0.00 46.19 43.45 1ywu s LEU 119 CO 0.61 -0.83 0.16 -0.69 0.02 0.00 0.00 176.35 175.63 1ywu s VAL 120 N 3.01 4.95 0.99 -1.59 1.01 -1.26 -4.99 120.40 122.53 1ywu s VAL 120 Ca 0.26 -0.66 -0.11 0.00 0.00 0.00 0.00 61.98 61.46 1ywu s VAL 120 Cb -0.13 -3.44 0.19 0.00 0.00 0.00 0.00 36.38 32.99 1ywu s VAL 120 CO 0.20 0.07 1.10 -0.55 0.00 0.00 0.00 175.10 175.92 1ywu s SER 121 N -2.66 2.35 0.37 3.32 0.15 -1.26 -4.85 113.70 111.12 1ywu s SER 121 Ca 0.32 1.93 0.20 0.00 0.70 0.00 0.00 55.95 59.10 1ywu s SER 121 Cb -0.12 -2.47 1.22 0.00 -1.71 0.00 0.00 66.02 62.95 1ywu s SER 121 CO 0.25 -3.41 1.64 0.00 1.20 0.00 0.00 173.24 172.92 1ywu h ALA 122 N -2.08 2.19 -1.35 5.45 0.00 -1.34 -3.11 119.26 119.02 1ywu h ALA 122 Ca -0.49 0.18 -0.65 0.00 0.00 0.00 0.00 54.91 53.95 1ywu h ALA 122 Cb 1.29 0.20 -0.12 0.00 0.00 0.00 0.00 17.79 19.15 1ywu h ALA 122 CO 0.45 -0.84 1.41 -1.58 0.00 0.00 0.00 179.25 178.70 1ywu s HIS 123 N -5.54 2.82 -0.02 0.00 5.65 -1.26 -4.53 115.29 112.40 1ywu s HIS 123 Ca -0.09 -1.23 0.13 0.00 0.25 0.00 0.00 55.06 54.12 1ywu s HIS 123 Cb 0.31 -4.56 -0.21 0.00 -1.18 0.00 0.00 32.58 26.94 1ywu s HIS 123 CO 0.79 -1.75 0.28 -3.47 -0.65 0.00 0.00 174.74 169.95 1ywu n ASP 124 N 7.87 1.90 0.00 9.88 -0.08 -1.18 -5.08 116.55 129.86 1ywu n ASP 124 Ca 0.33 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.61 1ywu n ASP 124 Cb 0.49 1.57 0.00 0.00 2.34 0.00 0.00 41.12 45.52 1ywu n ASP 124 CO 0.00 0.00 0.00 -0.90 0.12 0.00 0.00 177.20 176.42