#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ywu s SER 2 N 0.00 1.83 -0.57 6.12 0.01 -1.26 -5.09 113.70 114.73 1ywu s SER 2 Ca 0.00 -0.22 -0.13 0.00 1.31 0.00 0.00 55.95 56.91 1ywu s SER 2 Cb 0.00 -0.46 0.14 0.00 0.21 0.00 0.00 66.02 65.91 1ywu s SER 2 CO 0.00 -0.22 0.49 -0.62 0.41 0.00 0.00 173.24 173.31 1ywu s ASP 3 N 1.96 6.09 -0.72 2.44 -1.08 -1.26 -4.93 116.67 119.16 1ywu s ASP 3 Ca 0.04 -2.04 -0.01 0.00 -0.52 0.00 0.00 52.55 50.02 1ywu s ASP 3 Cb -0.13 -2.13 0.40 0.00 -1.46 0.00 0.00 42.92 39.60 1ywu s ASP 3 CO -0.06 -0.73 1.95 0.00 0.52 0.00 0.00 175.17 176.85 1ywu n GLN 4 N 4.83 2.80 0.06 4.34 6.02 -1.26 -4.26 117.38 129.91 1ywu n GLN 4 Ca -0.06 -3.49 0.11 0.00 -0.01 0.00 0.00 57.00 53.55 1ywu n GLN 4 Cb 0.41 -2.28 -0.00 0.00 1.02 0.00 0.00 30.24 29.39 1ywu n GLN 4 CO 0.00 0.00 0.00 1.58 -1.01 0.00 0.00 177.06 177.63 1ywu n HIS 5 N -0.72 0.59 -1.00 1.08 -0.00 -1.26 -5.07 115.22 108.84 1ywu n HIS 5 Ca 0.57 0.17 0.00 0.00 0.46 0.00 0.00 57.72 58.92 1ywu n HIS 5 Cb 0.48 -0.72 0.00 0.00 -0.12 0.00 0.00 29.99 29.63 1ywu n HIS 5 CO 0.00 0.00 0.00 -3.47 0.46 0.00 0.00 176.34 173.33 1ywu n ASP 6 N -2.36 -5.53 -5.00 0.26 2.03 -1.26 -5.06 116.55 99.63 1ywu n ASP 6 Ca 0.00 0.65 -0.18 0.00 0.52 0.00 0.00 54.79 55.78 1ywu n ASP 6 Cb 0.51 -2.21 0.02 0.00 -0.72 0.00 0.00 41.12 38.71 1ywu n ASP 6 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 1ywu s GLU 7 N -2.75 2.65 0.13 -0.67 2.02 -1.26 -5.05 118.70 113.76 1ywu s GLU 7 Ca 0.00 -1.40 0.00 0.00 0.02 0.00 0.00 54.97 53.59 1ywu s GLU 7 Cb 0.00 -2.66 0.00 0.00 0.10 0.00 0.00 34.13 31.57 1ywu s GLU 7 CO 0.00 -0.42 0.00 0.54 0.02 0.00 0.00 175.26 175.40 1ywu n ARG 8 N -1.91 -0.95 -2.62 1.61 1.74 -1.26 -4.63 116.66 108.65 1ywu n ARG 8 Ca 0.09 0.66 -0.41 0.00 -0.77 0.00 0.00 57.85 57.42 1ywu n ARG 8 Cb 0.60 -1.15 -0.03 0.00 -1.02 0.00 0.00 32.46 30.86 1ywu n ARG 8 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1ywu s ARG 9 N -1.82 3.37 -0.61 5.56 0.52 -1.26 -4.96 118.95 119.75 1ywu s ARG 9 Ca 0.00 -0.77 -0.23 0.00 -0.52 0.00 0.00 55.73 54.21 1ywu s ARG 9 Cb 0.00 -4.70 0.06 0.00 0.52 0.00 0.00 34.95 30.83 1ywu s ARG 9 CO 0.00 -2.11 0.94 0.50 0.02 0.00 0.00 175.30 174.65 1ywu s ARG 10 N 5.03 3.19 -0.01 3.54 6.06 -1.26 -5.01 118.95 130.49 1ywu s ARG 10 Ca 0.38 -0.61 -0.30 0.00 -2.50 0.00 0.00 55.73 52.70 1ywu s ARG 10 Cb -0.06 -4.15 -0.03 0.00 0.06 0.00 0.00 34.95 30.77 1ywu s ARG 10 CO 0.03 -1.67 0.96 0.12 -2.50 0.00 0.00 175.30 172.25 1ywu s PHE 11 N 3.98 3.65 0.00 5.12 5.36 -1.26 -4.88 117.98 129.95 1ywu s PHE 11 Ca 0.25 1.67 0.00 0.00 -0.96 0.00 0.00 56.93 57.89 1ywu s PHE 11 Cb -0.15 -3.10 0.00 0.00 -0.34 0.00 0.00 43.02 39.43 1ywu s PHE 11 CO 0.14 -0.01 0.00 0.72 -1.46 0.00 0.00 175.22 174.61 1ywu n HIS 12 N 3.91 0.00 -4.32 10.12 8.25 -1.26 -5.12 115.22 126.80 1ywu n HIS 12 Ca 0.06 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.35 1ywu n HIS 12 Cb 0.51 0.19 -0.05 0.00 1.12 0.00 0.00 29.99 31.76 1ywu n HIS 12 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1ywu n ARG 13 N -2.70 0.71 -2.05 -0.41 1.74 -1.26 -5.06 116.66 107.63 1ywu n ARG 13 Ca 0.00 -2.21 -0.31 0.00 -0.77 0.00 0.00 57.85 54.56 1ywu n ARG 13 Cb 0.29 1.20 -0.04 0.00 -1.02 0.00 0.00 32.46 32.88 1ywu n ARG 13 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1ywu s ILE 14 N -2.52 3.42 -0.11 0.55 -1.09 -1.26 -4.87 121.20 115.31 1ywu s ILE 14 Ca 0.13 -0.15 -0.04 0.00 -2.23 0.00 0.00 60.65 58.36 1ywu s ILE 14 Cb 0.01 -3.99 0.05 0.00 -1.58 0.00 0.00 42.46 36.95 1ywu s ILE 14 CO 0.09 -0.95 0.22 0.00 -1.23 0.00 0.00 174.94 173.08 1ywu s ALA 15 N 9.63 -0.44 0.17 9.38 0.00 -1.26 -2.93 121.76 136.32 1ywu s ALA 15 Ca 0.69 0.84 0.00 0.00 0.00 0.00 0.00 51.96 53.48 1ywu s ALA 15 Cb -0.09 -0.83 -0.00 0.00 0.00 0.00 0.00 23.12 22.20 1ywu s ALA 15 CO 0.07 -0.48 0.00 1.19 0.00 0.00 0.00 175.76 176.55 1ywu n PHE 16 N 4.98 0.40 1.27 0.00 3.01 -1.26 -4.99 117.46 120.87 1ywu n PHE 16 Ca -0.12 -0.85 0.02 0.00 1.01 0.00 0.00 57.45 57.51 1ywu n PHE 16 Cb 0.51 -0.11 0.06 0.00 -0.01 0.00 0.00 39.48 39.92 1ywu n PHE 16 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 1ywu n ASP 17 N -1.10 1.06 -4.66 4.37 9.92 -1.26 -4.84 116.55 120.04 1ywu n ASP 17 Ca -0.07 -2.06 -0.43 0.00 -0.53 0.00 0.00 54.79 51.70 1ywu n ASP 17 Cb 0.22 -0.25 -0.02 0.00 -0.64 0.00 0.00 41.12 40.43 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 -1.63 3.63 0.09 2.24 0.00 -1.25 -4.90 121.76 119.94 1ywu s ALA 18 Ca 0.08 0.38 -0.23 0.00 0.00 0.00 0.00 51.96 52.19 1ywu s ALA 18 Cb 0.05 -3.63 -0.07 0.00 0.00 0.00 0.00 23.12 19.47 1ywu s ALA 18 CO 0.04 -1.23 0.69 0.34 0.00 0.00 0.00 175.76 175.61 1ywu s ASP 19 N 1.97 7.20 -0.11 0.00 2.15 -1.23 -4.76 116.67 121.90 1ywu s ASP 19 Ca 0.53 1.43 0.02 0.00 0.43 0.00 0.00 52.55 54.96 1ywu s ASP 19 Cb -0.20 -2.44 -0.01 0.00 -0.30 0.00 0.00 42.92 39.97 1ywu s ASP 19 CO 0.14 0.16 -0.17 -0.55 -0.17 0.00 0.00 175.17 174.59 1ywu s SER 20 N -0.72 3.70 -0.19 -0.34 0.15 -1.25 -1.32 113.70 113.73 1ywu s SER 20 Ca 0.34 -0.39 -0.05 0.00 0.70 0.00 0.00 55.95 56.55 1ywu s SER 20 Cb -0.21 -1.40 -0.03 0.00 -1.71 0.00 0.00 66.02 62.67 1ywu s SER 20 CO 0.22 0.19 0.00 -1.61 1.20 0.00 0.00 173.24 173.25 1ywu s GLU 21 N 0.18 3.68 -0.44 5.44 2.02 -0.29 -0.37 118.70 128.92 1ywu s GLU 21 Ca -0.10 -0.49 -0.15 0.00 0.02 0.00 0.00 54.97 54.24 1ywu s GLU 21 Cb -0.16 -3.07 0.05 0.00 0.10 0.00 0.00 34.13 31.05 1ywu s GLU 21 CO 0.06 0.10 0.36 0.42 0.02 0.00 0.00 175.26 176.21 1ywu s ILE 22 N 0.78 5.24 0.32 -1.63 1.01 0.47 -1.23 121.20 126.16 1ywu s ILE 22 Ca 0.00 -0.85 0.10 0.00 0.00 0.00 0.00 60.65 59.90 1ywu s ILE 22 Cb -0.14 -4.04 -0.05 0.00 0.01 0.00 0.00 42.46 38.24 1ywu s ILE 22 CO 0.02 -0.46 -0.06 -1.48 0.00 0.00 0.00 174.94 172.97 1ywu s LEU 23 N 1.69 2.87 -0.40 2.97 2.34 -0.16 -0.45 118.68 127.54 1ywu s LEU 23 Ca 0.05 -1.02 0.07 0.00 0.06 0.00 0.00 54.13 53.30 1ywu s LEU 23 Cb -0.22 -1.25 0.24 0.00 -0.56 0.00 0.00 46.19 44.40 1ywu s LEU 23 CO 0.08 -0.15 0.55 0.00 -1.06 0.00 0.00 176.35 175.77 1ywu n GLN 24 N -0.85 0.68 0.00 1.48 10.64 -0.81 -1.08 117.38 127.44 1ywu n GLN 24 Ca -0.05 -3.04 0.00 0.00 -1.83 0.00 0.00 57.00 52.08 1ywu n GLN 24 Cb 0.62 -1.28 0.00 0.00 -0.86 0.00 0.00 30.24 28.72 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 1.56 1.61 0.04 2.61 0.00 -1.26 -4.23 105.19 105.53 1ywu n GLY 25 Ca 0.20 -0.01 -0.02 0.00 0.00 0.00 0.00 46.02 46.19 1ywu n GLY 25 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1ywu h GLU 26 N 0.00 0.00 -6.21 1.61 4.81 -2.02 -3.49 114.58 109.28 1ywu h GLU 26 Ca 0.00 0.00 -0.55 0.00 -0.13 0.00 0.00 59.36 58.68 1ywu h GLU 26 Cb 0.00 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 29.31 1ywu h GLU 26 CO 0.00 0.00 -0.56 1.03 -0.73 0.00 0.00 179.01 178.75 1ywu s ARG 27 N -1.70 2.82 -0.05 1.92 0.52 -1.26 -5.12 118.95 116.08 1ywu s ARG 27 Ca -0.08 -1.01 0.03 0.00 -0.52 0.00 0.00 55.73 54.15 1ywu s ARG 27 Cb 0.01 -2.55 0.01 0.00 0.52 0.00 0.00 34.95 32.94 1ywu s ARG 27 CO 0.12 0.44 -0.12 1.03 0.02 0.00 0.00 175.30 176.79 1ywu s ARG 28 N -3.43 1.47 -0.13 3.54 0.52 -1.26 -1.92 118.95 117.73 1ywu s ARG 28 Ca 0.31 -0.40 -0.01 0.00 -0.52 0.00 0.00 55.73 55.11 1ywu s ARG 28 Cb -0.09 -1.27 0.03 0.00 0.52 0.00 0.00 34.95 34.15 1ywu s ARG 28 CO 0.23 0.09 -0.04 -1.58 0.02 0.00 0.00 175.30 174.01 1ywu s TRP 29 N 0.43 1.36 0.51 -0.53 0.51 0.41 -4.96 118.94 116.67 1ywu s TRP 29 Ca -0.09 -0.75 -0.18 0.00 -2.12 0.00 0.00 56.10 52.96 1ywu s TRP 29 Cb -0.13 -1.16 -0.08 0.00 -0.81 0.00 0.00 33.47 31.29 1ywu s TRP 29 CO 0.02 -0.52 1.01 -1.83 -0.51 0.00 0.00 176.95 175.12 1ywu s GLU 30 N 1.75 3.81 0.09 4.98 1.03 -1.26 -0.39 118.70 128.70 1ywu s GLU 30 Ca 0.03 1.15 0.02 0.00 0.03 0.00 0.00 54.97 56.20 1ywu s GLU 30 Cb -0.14 -2.11 -0.04 0.00 -0.80 0.00 0.00 34.13 31.05 1ywu s GLU 30 CO -0.07 -0.40 -0.07 0.54 -1.33 0.00 0.00 175.26 173.93 1ywu s VAL 31 N -2.34 0.70 -0.21 1.83 0.11 0.50 -4.85 120.40 116.14 1ywu s VAL 31 Ca 0.63 -1.75 -0.28 0.00 -2.93 0.00 0.00 61.98 57.65 1ywu s VAL 31 Cb -0.13 -1.45 0.00 0.00 -1.53 0.00 0.00 36.38 33.27 1ywu s VAL 31 CO 0.26 -0.75 0.99 -0.76 -3.33 0.00 0.00 175.10 171.52 1ywu s LEU 32 N -2.71 4.12 0.16 2.54 1.43 -1.11 -3.91 118.68 119.20 1ywu s LEU 32 Ca 0.07 1.34 -0.30 0.00 -1.03 0.00 0.00 54.13 54.21 1ywu s LEU 32 Cb 0.02 -3.48 -0.07 0.00 0.03 0.00 0.00 46.19 42.68 1ywu s LEU 32 CO -0.03 -0.60 1.17 -0.22 0.23 0.00 0.00 176.35 176.90 1ywu s LEU 33 N 2.92 4.44 0.00 1.79 2.96 -1.26 -0.51 118.68 129.02 1ywu s LEU 33 Ca 0.43 2.15 0.00 0.00 -0.22 0.00 0.00 54.13 56.49 1ywu s LEU 33 Cb -0.16 -3.60 0.00 0.00 0.50 0.00 0.00 46.19 42.93 1ywu s LEU 33 CO 0.08 -0.35 0.00 1.41 -1.32 0.00 0.00 176.35 176.17 1ywu n HIS 34 N 2.75 0.00 -3.57 5.38 8.25 -0.83 -4.90 115.22 122.31 1ywu n HIS 34 Ca 0.05 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.44 1ywu n HIS 34 Cb 0.45 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.55 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 -3.67 -0.28 -0.22 0.41 -1.08 -0.81 -3.52 116.67 107.50 1ywu s ASP 35 Ca 0.00 -0.07 -0.26 0.00 -0.52 0.00 0.00 52.55 51.69 1ywu s ASP 35 Cb 0.00 0.35 0.08 0.00 -1.46 0.00 0.00 42.92 41.89 1ywu s ASP 35 CO 0.00 -0.58 0.78 0.54 0.52 0.00 0.00 175.17 176.43 1ywu s VAL 36 N -2.99 0.00 0.17 1.11 0.11 -1.26 -0.41 120.40 117.13 1ywu s VAL 36 Ca 0.07 0.00 0.02 0.00 -2.93 0.00 0.00 61.98 59.15 1ywu s VAL 36 Cb -0.01 -1.00 -0.01 0.00 -1.53 0.00 0.00 36.38 33.83 1ywu s VAL 36 CO -0.06 0.00 0.09 -1.54 -3.33 0.00 0.00 175.10 170.26 1ywu n SER 37 N 2.16 0.52 0.00 3.54 3.41 0.52 -4.66 113.62 119.11 1ywu n SER 37 Ca -0.14 -1.98 0.15 0.00 -0.26 0.00 0.00 58.87 56.63 1ywu n SER 37 Cb 0.56 0.58 0.84 0.00 -0.26 0.00 0.00 64.21 65.93 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 0.00 -0.10 1.04 7.94 -1.01 -3.68 117.00 121.19 1ywu n LEU 38 Ca -0.00 0.10 -0.18 0.00 -1.11 0.00 0.00 56.01 54.82 1ywu n LEU 38 Cb 0.27 -0.10 -0.08 0.00 0.53 0.00 0.00 43.42 44.05 1ywu n LEU 38 CO 0.14 -0.00 -1.16 1.41 -1.11 0.00 0.00 177.39 176.67 1ywu n HIS 39 N -1.10 0.00 -3.74 1.96 8.25 -1.26 -4.90 115.22 114.42 1ywu n HIS 39 Ca 0.20 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.61 1ywu n HIS 39 Cb 0.15 -0.72 -0.02 0.00 1.12 0.00 0.00 29.99 30.52 1ywu n HIS 39 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1ywu s GLY 40 N -5.59 -0.24 -0.03 -1.41 0.00 -1.24 -1.52 107.32 97.30 1ywu s GLY 40 Ca -0.27 0.12 0.07 0.00 0.00 0.00 0.00 44.72 44.63 1ywu s GLY 40 CO 0.39 0.02 -0.23 -1.50 0.00 0.00 0.00 173.10 171.78 1ywu s ILE 41 N -3.44 1.87 -0.30 0.90 2.07 -0.01 -0.35 121.20 121.93 1ywu s ILE 41 Ca 0.11 -1.00 -0.03 0.00 -1.41 0.00 0.00 60.65 58.32 1ywu s ILE 41 Cb -0.02 -1.56 0.04 0.00 0.13 0.00 0.00 42.46 41.04 1ywu s ILE 41 CO 0.02 0.53 0.02 -0.22 -1.91 0.00 0.00 174.94 173.38 1ywu s LEU 42 N -0.41 3.89 0.43 8.50 2.96 0.45 -0.64 118.68 133.86 1ywu s LEU 42 Ca 0.05 -1.12 0.07 0.00 -0.22 0.00 0.00 54.13 52.90 1ywu s LEU 42 Cb -0.10 -1.76 -0.05 0.00 0.50 0.00 0.00 46.19 44.77 1ywu s LEU 42 CO 0.00 -0.25 0.12 0.68 -1.32 0.00 0.00 176.35 175.58 1ywu s VAL 43 N 1.33 2.07 -0.12 1.68 -7.23 -0.76 -1.92 120.40 115.45 1ywu s VAL 43 Ca -0.03 -1.81 -0.01 0.00 -1.81 0.00 0.00 61.98 58.32 1ywu s VAL 43 Cb -0.19 -2.88 0.03 0.00 0.56 0.00 0.00 36.38 33.90 1ywu s VAL 43 CO -0.00 0.00 -0.05 -0.83 -0.31 0.00 0.00 175.10 173.91 1ywu s GLY 44 N -3.86 0.77 0.16 2.32 0.00 0.33 -1.00 107.32 106.03 1ywu s GLY 44 Ca 0.36 -0.52 0.06 0.00 0.00 0.00 0.00 44.72 44.62 1ywu s GLY 44 CO 0.19 0.94 0.06 1.20 0.00 0.00 0.00 173.10 175.50 1ywu s GLN 45 N 1.76 2.66 0.03 2.90 -0.21 0.55 -2.76 119.66 124.61 1ywu s GLN 45 Ca 0.04 -0.95 -0.20 0.00 0.02 0.00 0.00 55.36 54.27 1ywu s GLN 45 Cb -0.13 -2.52 -0.11 0.00 1.00 0.00 0.00 33.01 31.25 1ywu s GLN 45 CO -0.07 0.48 1.26 -1.35 -2.12 0.00 0.00 175.29 173.49 1ywu h PRO 46 N 2.67 -0.68 0.00 2.91 0.11 -1.95 -3.42 132.00 131.65 1ywu h PRO 46 Ca -0.47 0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1ywu h PRO 46 Cb 1.20 0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.46 1ywu h PRO 46 CO 0.61 -0.46 0.00 0.94 -0.21 0.00 0.00 178.00 178.88 1ywu n GLN 47 N -3.95 0.00 -2.15 1.05 -0.06 -1.26 -4.85 117.38 106.16 1ywu n GLN 47 Ca -0.09 0.00 -0.37 0.00 -2.00 0.00 0.00 57.00 54.54 1ywu n GLN 47 Cb 0.28 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.46 1ywu n GLN 47 CO 0.00 0.00 0.00 0.34 -0.20 0.00 0.00 177.06 177.20 1ywu s ASP 48 N -1.61 6.00 0.02 1.69 -1.08 -1.26 -5.03 116.67 115.40 1ywu s ASP 48 Ca 0.00 2.41 -0.00 0.00 -0.52 0.00 0.00 52.55 54.44 1ywu s ASP 48 Cb 0.00 -2.61 0.00 0.00 -1.46 0.00 0.00 42.92 38.85 1ywu s ASP 48 CO 0.00 -1.05 0.02 1.87 0.52 0.00 0.00 175.17 176.54 1ywu n TRP 49 N -0.57 -0.63 -0.03 -5.34 -0.00 -1.26 -5.06 117.44 104.55 1ywu n TRP 49 Ca 0.08 -0.10 -0.02 0.00 -0.00 0.00 0.00 57.50 57.46 1ywu n TRP 49 Cb 0.47 0.03 -0.01 0.00 -0.00 0.00 0.00 31.31 31.80 1ywu n TRP 49 CO 0.00 0.00 0.00 -2.95 -0.00 0.00 0.00 177.69 174.74 1ywu h ASN 50 N 0.09 0.00 0.00 5.87 -1.07 -2.03 -3.50 115.58 114.94 1ywu h ASN 50 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.36 1ywu h ASN 50 Cb 0.05 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.30 1ywu h ASN 50 CO 0.02 0.34 0.00 0.61 0.07 0.00 0.00 177.43 178.47 1ywu n GLY 51 N 1.72 -1.65 3.04 9.14 0.00 -1.26 -5.16 105.19 111.02 1ywu n GLY 51 Ca -0.03 0.49 -0.09 0.00 0.00 0.00 0.00 46.02 46.39 1ywu n GLY 51 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1ywu s ASP 52 N -1.97 0.48 0.00 1.61 1.47 -1.26 -5.05 116.67 111.95 1ywu s ASP 52 Ca 0.00 -0.72 0.31 0.00 1.18 0.00 0.00 52.55 53.33 1ywu s ASP 52 Cb 0.00 0.12 1.73 0.00 -0.34 0.00 0.00 42.92 44.43 1ywu s ASP 52 CO 0.00 -0.40 2.14 -0.81 0.68 0.00 0.00 175.17 176.77 1ywu n PRO 53 N 0.95 0.94 0.16 2.11 -0.04 -1.26 -3.37 135.00 134.49 1ywu n PRO 53 Ca -0.20 -0.09 0.12 0.00 -0.04 0.00 0.00 63.50 63.29 1ywu n PRO 53 Cb 0.57 -1.50 0.23 0.00 -0.04 0.00 0.00 33.50 32.76 1ywu n PRO 53 CO 0.00 0.00 0.00 0.37 -0.04 0.00 0.00 175.50 175.83 1ywu h GLN 54 N 0.23 0.00 -6.04 0.54 5.75 -1.97 -3.34 115.11 110.28 1ywu h GLN 54 Ca 0.00 0.00 -0.57 0.00 -0.15 0.00 0.00 58.65 57.93 1ywu h GLN 54 Cb 0.11 0.00 -0.06 0.00 1.07 0.00 0.00 27.48 28.61 1ywu h GLN 54 CO 0.00 0.00 0.40 1.03 -2.65 0.00 0.00 178.83 177.61 1ywu s ARG 55 N -3.19 4.35 0.75 1.69 0.52 -1.22 -4.98 118.95 116.87 1ywu s ARG 55 Ca 0.07 1.10 -0.12 0.00 -0.52 0.00 0.00 55.73 56.26 1ywu s ARG 55 Cb 0.08 -3.55 0.05 0.00 0.52 0.00 0.00 34.95 32.05 1ywu s ARG 55 CO 0.66 -0.28 1.11 -1.25 0.02 0.00 0.00 175.30 175.56 1ywu s PRO 56 N 1.96 2.26 0.14 3.54 0.04 -1.26 -4.57 135.00 137.11 1ywu s PRO 56 Ca 0.41 1.31 0.03 0.00 0.04 0.00 0.00 61.00 62.79 1ywu s PRO 56 Cb -0.17 -1.89 -0.04 0.00 0.04 0.00 0.00 34.50 32.44 1ywu s PRO 56 CO 0.15 -1.66 -0.07 -0.06 0.04 0.00 0.00 177.00 175.40 1ywu s PHE 57 N -2.66 1.19 -0.11 0.56 0.40 -0.40 -4.94 117.98 112.01 1ywu s PHE 57 Ca 0.64 -0.84 0.02 0.00 -0.60 0.00 0.00 56.93 56.15 1ywu s PHE 57 Cb -0.19 -0.64 -0.01 0.00 0.51 0.00 0.00 43.02 42.69 1ywu s PHE 57 CO 0.51 -0.02 -0.17 -1.21 0.70 0.00 0.00 175.22 175.03 1ywu s GLU 58 N -3.80 3.19 -0.12 0.44 2.02 -0.24 -2.39 118.70 117.79 1ywu s GLU 58 Ca 0.17 -0.76 0.03 0.00 0.02 0.00 0.00 54.97 54.44 1ywu s GLU 58 Cb 0.04 -2.49 0.00 0.00 0.10 0.00 0.00 34.13 31.78 1ywu s GLU 58 CO 0.00 0.24 -0.22 0.00 0.02 0.00 0.00 175.26 175.31 1ywu s ALA 59 N 0.25 2.26 -0.06 5.21 0.00 -1.04 -0.99 121.76 127.40 1ywu s ALA 59 Ca -0.12 -1.01 0.05 0.00 0.00 0.00 0.00 51.96 50.89 1ywu s ALA 59 Cb -0.16 -0.94 -0.02 0.00 0.00 0.00 0.00 23.12 22.00 1ywu s ALA 59 CO 0.06 0.15 -0.22 1.03 0.00 0.00 0.00 175.76 176.79 1ywu s ARG 60 N 0.54 2.54 -0.20 0.00 0.52 -0.36 -1.86 118.95 120.13 1ywu s ARG 60 Ca -0.13 -0.84 -0.01 0.00 -0.52 0.00 0.00 55.73 54.22 1ywu s ARG 60 Cb -0.17 -2.23 0.01 0.00 0.52 0.00 0.00 34.95 33.08 1ywu s ARG 60 CO 0.04 0.45 -0.13 -0.51 0.02 0.00 0.00 175.30 175.18 1ywu s LEU 61 N -0.32 2.47 -0.93 2.53 1.43 0.45 -1.13 118.68 123.18 1ywu s LEU 61 Ca 0.02 -0.53 -0.20 0.00 -1.03 0.00 0.00 54.13 52.38 1ywu s LEU 61 Cb -0.13 -1.60 0.10 0.00 0.03 0.00 0.00 46.19 44.60 1ywu s LEU 61 CO 0.02 -0.01 1.20 -0.31 0.23 0.00 0.00 176.35 177.49 1ywu s TYR 62 N 1.37 2.92 0.02 0.29 2.02 -0.43 -0.59 117.35 122.94 1ywu s TYR 62 Ca 0.05 -1.16 0.10 0.00 -0.37 0.00 0.00 57.07 55.69 1ywu s TYR 62 Cb -0.14 -4.40 -0.20 0.00 -0.40 0.00 0.00 41.96 36.82 1ywu s TYR 62 CO -0.09 -1.63 0.98 -0.07 -1.57 0.00 0.00 175.55 173.17 1ywu h LEU 63 N 11.15 0.00 0.00 -1.29 4.07 -1.71 -3.26 115.31 124.28 1ywu h LEU 63 Ca 0.13 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.09 1ywu h LEU 63 Cb 1.02 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.76 1ywu h LEU 63 CO 1.20 0.96 0.07 0.61 -1.08 0.00 0.00 178.44 180.20 1ywu n GLY 64 N 1.44 1.64 0.21 0.83 0.00 -0.97 -4.88 105.19 103.46 1ywu n GLY 64 Ca -0.08 -1.04 -0.16 0.00 0.00 0.00 0.00 46.02 44.74 1ywu n GLY 64 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1ywu h LEU 65 N 0.00 0.86 -0.19 0.99 7.12 -2.01 -3.21 115.31 118.87 1ywu h LEU 65 Ca -0.07 -0.59 0.00 0.00 0.13 0.00 0.00 57.88 57.36 1ywu h LEU 65 Cb 0.25 -0.26 0.00 0.00 -0.53 0.00 0.00 40.66 40.12 1ywu h LEU 65 CO 0.08 1.38 -0.79 -0.90 -0.13 0.00 0.00 178.44 178.08 1ywu n ASP 66 N -3.90 1.09 -4.21 1.25 5.68 -1.26 -4.73 116.55 110.47 1ywu n ASP 66 Ca -0.07 -0.95 -0.41 0.00 -0.50 0.00 0.00 54.79 52.85 1ywu n ASP 66 Cb 0.76 0.74 -0.06 0.00 -1.14 0.00 0.00 41.12 41.43 1ywu n ASP 66 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 1ywu s VAL 67 N -2.89 4.68 -0.36 2.12 1.01 -1.21 -5.01 120.40 118.74 1ywu s VAL 67 Ca 0.11 -2.88 -0.11 0.00 0.00 0.00 0.00 61.98 59.11 1ywu s VAL 67 Cb 0.17 -3.94 0.02 0.00 0.00 0.00 0.00 36.38 32.62 1ywu s VAL 67 CO 0.77 -0.98 0.19 -0.22 0.00 0.00 0.00 175.10 174.87 1ywu s LEU 68 N -0.16 4.56 -0.01 3.92 2.96 -1.26 -1.89 118.68 126.79 1ywu s LEU 68 Ca 0.19 -0.88 -0.19 0.00 -0.22 0.00 0.00 54.13 53.04 1ywu s LEU 68 Cb -0.14 -2.02 -0.05 0.00 0.50 0.00 0.00 46.19 44.48 1ywu s LEU 68 CO -0.07 -0.34 0.53 -0.63 -1.32 0.00 0.00 176.35 174.52 1ywu s ILE 69 N 1.57 4.96 0.05 6.68 -1.09 0.24 -4.92 121.20 128.69 1ywu s ILE 69 Ca 0.03 1.09 0.09 0.00 -2.23 0.00 0.00 60.65 59.63 1ywu s ILE 69 Cb -0.19 -3.85 -0.03 0.00 -1.58 0.00 0.00 42.46 36.81 1ywu s ILE 69 CO 0.07 0.46 -0.26 0.00 -1.23 0.00 0.00 174.94 173.97 1ywu s ARG 70 N -0.39 1.79 -0.22 2.79 1.70 -1.26 -0.41 118.95 122.95 1ywu s ARG 70 Ca 0.28 -1.12 -0.11 0.00 -0.47 0.00 0.00 55.73 54.30 1ywu s ARG 70 Cb -0.17 -1.98 0.08 0.00 -0.57 0.00 0.00 34.95 32.30 1ywu s ARG 70 CO 0.15 0.51 0.53 0.00 -1.08 0.00 0.00 175.30 175.41 1ywu s MET 71 N -1.30 0.51 -0.14 3.89 0.23 -0.78 -4.55 119.30 117.17 1ywu s MET 71 Ca 0.12 1.03 -0.29 0.00 -1.03 0.00 0.00 55.69 55.51 1ywu s MET 71 Cb -0.10 0.15 -0.01 0.00 -1.53 0.00 0.00 34.83 33.34 1ywu s MET 71 CO 0.02 -0.17 1.10 -2.00 -2.03 0.00 0.00 175.02 171.94 1ywu s GLU 72 N 1.76 4.33 0.00 3.16 2.56 -0.89 -2.49 118.70 127.14 1ywu s GLU 72 Ca -0.08 1.49 0.04 0.00 0.00 0.00 0.00 54.97 56.41 1ywu s GLU 72 Cb -0.08 -3.61 -0.01 0.00 2.00 0.00 0.00 34.13 32.43 1ywu s GLU 72 CO -0.16 -0.49 -0.13 0.96 -0.56 0.00 0.00 175.26 174.88 1ywu s ILE 73 N 2.60 1.03 -0.17 -3.70 -4.36 -1.01 0.02 121.20 115.62 1ywu s ILE 73 Ca 0.50 -0.68 -0.01 0.00 -0.26 0.00 0.00 60.65 60.20 1ywu s ILE 73 Cb -0.19 -0.88 -0.00 0.00 1.25 0.00 0.00 42.46 42.63 1ywu s ILE 73 CO 0.15 0.20 -0.12 -0.55 0.24 0.00 0.00 174.94 174.86 1ywu s SER 74 N -0.55 3.87 -0.39 4.36 0.15 0.44 -1.28 113.70 120.30 1ywu s SER 74 Ca 0.04 -0.43 -0.28 0.00 0.70 0.00 0.00 55.95 55.98 1ywu s SER 74 Cb -0.06 -1.62 -0.03 0.00 -1.71 0.00 0.00 66.02 62.61 1ywu s SER 74 CO 0.00 0.06 1.95 -0.22 1.20 0.00 0.00 173.24 176.24 1ywu s LEU 75 N 0.95 3.44 -0.11 3.45 2.96 -1.26 -0.38 118.68 127.74 1ywu s LEU 75 Ca -0.02 1.18 -0.18 0.00 -0.22 0.00 0.00 54.13 54.89 1ywu s LEU 75 Cb -0.15 -3.19 -0.27 0.00 0.50 0.00 0.00 46.19 43.08 1ywu s LEU 75 CO -0.01 -2.03 0.56 0.00 -1.32 0.00 0.00 176.35 173.55 1ywu h ALA 76 N 14.47 0.16 -2.82 5.97 0.00 -1.59 -3.43 119.26 132.01 1ywu h ALA 76 Ca -0.32 -1.03 -0.13 0.00 0.00 0.00 0.00 54.91 53.42 1ywu h ALA 76 Cb 1.19 0.45 -0.25 0.00 0.00 0.00 0.00 17.79 19.18 1ywu h ALA 76 CO 1.07 0.73 -0.28 1.67 0.00 0.00 0.00 179.25 182.44 1ywu s TRP 77 N -2.45 -0.43 -0.16 0.00 1.48 -1.04 -5.03 118.94 111.31 1ywu s TRP 77 Ca -0.20 1.03 -0.02 0.00 -1.06 0.00 0.00 56.10 55.84 1ywu s TRP 77 Cb 0.04 0.15 0.05 0.00 -1.16 0.00 0.00 33.47 32.55 1ywu s TRP 77 CO 0.75 -0.21 0.02 0.00 -4.06 0.00 0.00 176.95 173.44 1ywu s ALA 78 N 0.32 0.99 -0.02 2.67 0.00 -1.26 -0.40 121.76 124.06 1ywu s ALA 78 Ca -0.01 -0.57 0.01 0.00 0.00 0.00 0.00 51.96 51.39 1ywu s ALA 78 Cb -0.03 -1.07 0.02 0.00 0.00 0.00 0.00 23.12 22.04 1ywu s ALA 78 CO -0.01 -0.95 -0.03 0.50 0.00 0.00 0.00 175.76 175.27 1ywu s ARG 79 N 1.86 0.49 0.02 0.00 3.52 -0.62 -4.98 118.95 119.24 1ywu s ARG 79 Ca 0.01 -0.06 0.00 0.00 -0.13 0.00 0.00 55.73 55.55 1ywu s ARG 79 Cb -0.16 -0.55 0.00 0.00 -1.56 0.00 0.00 34.95 32.69 1ywu s ARG 79 CO -0.07 -0.04 0.00 -3.47 -0.81 0.00 0.00 175.30 170.91 1ywu n ASP 80 N 3.71 0.00 0.00 -2.12 2.03 -1.26 -1.04 116.55 117.87 1ywu n ASP 80 Ca -0.22 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.09 1ywu n ASP 80 Cb 0.53 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.93 1ywu n ASP 80 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1ywu n GLY 81 N 0.00 1.00 3.64 0.27 0.00 -1.26 -4.87 105.19 103.96 1ywu n GLY 81 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 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 4.09 -0.19 0.99 1.43 -0.21 -0.33 118.68 124.47 1ywu s LEU 82 Ca 0.00 0.18 -0.00 0.00 -1.03 0.00 0.00 54.13 53.28 1ywu s LEU 82 Cb 0.00 -2.23 0.01 0.00 0.03 0.00 0.00 46.19 44.01 1ywu s LEU 82 CO 0.00 -0.02 -0.16 -0.76 0.23 0.00 0.00 176.35 175.65 1ywu s LEU 83 N 1.39 2.35 -0.43 1.79 1.02 -0.17 -1.59 118.68 123.03 1ywu s LEU 83 Ca 0.10 -0.57 -0.17 0.00 0.02 0.00 0.00 54.13 53.52 1ywu s LEU 83 Cb -0.15 -1.55 0.03 0.00 0.02 0.00 0.00 46.19 44.54 1ywu s LEU 83 CO 0.07 0.00 0.42 -0.83 0.02 0.00 0.00 176.35 176.04 1ywu s GLY 84 N 1.29 1.92 -0.22 -3.19 0.00 0.47 -1.82 107.32 105.77 1ywu s GLY 84 Ca 0.04 -1.66 -0.14 0.00 0.00 0.00 0.00 44.72 42.96 1ywu s GLY 84 CO -0.09 1.13 0.32 -1.36 0.00 0.00 0.00 173.10 173.10 1ywu s PHE 85 N 2.03 3.35 -0.22 1.90 0.08 0.18 -1.65 117.98 123.66 1ywu s PHE 85 Ca 0.10 0.47 -0.26 0.00 0.12 0.00 0.00 56.93 57.36 1ywu s PHE 85 Cb -0.19 -2.44 -0.00 0.00 -0.57 0.00 0.00 43.02 39.82 1ywu s PHE 85 CO 0.12 0.01 0.91 -2.00 -0.10 0.00 0.00 175.22 174.16 1ywu s GLU 86 N 1.25 4.24 -0.08 0.44 2.12 0.49 -0.83 118.70 126.32 1ywu s GLU 86 Ca 0.15 1.12 -0.30 0.00 0.36 0.00 0.00 54.97 56.30 1ywu s GLU 86 Cb -0.14 -3.63 -0.02 0.00 0.26 0.00 0.00 34.13 30.60 1ywu s GLU 86 CO 0.07 -0.52 1.08 0.00 -0.54 0.00 0.00 175.26 175.34 1ywu n GLN 88 N 4.98 0.69 -3.54 0.00 6.02 0.10 -4.84 117.38 120.80 1ywu n GLN 88 Ca 0.09 0.28 -0.20 0.00 -0.01 0.00 0.00 57.00 57.17 1ywu n GLN 88 Cb 0.48 -1.76 -0.14 0.00 1.02 0.00 0.00 30.24 29.84 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 -2.58 -0.14 -0.35 1.08 5.04 -1.18 -5.01 115.29 112.14 1ywu s HIS 89 Ca -0.13 0.11 -0.05 0.00 -1.54 0.00 0.00 55.06 53.45 1ywu s HIS 89 Cb 0.07 -0.44 0.06 0.00 0.04 0.00 0.00 32.58 32.31 1ywu s HIS 89 CO 0.80 -0.55 0.12 0.42 -2.34 0.00 0.00 174.74 173.19 1ywu s ILE 90 N 2.27 3.62 0.47 0.89 1.09 -1.26 -2.10 121.20 126.18 1ywu s ILE 90 Ca 0.05 -1.35 -0.25 0.00 -1.10 0.00 0.00 60.65 58.00 1ywu s ILE 90 Cb -0.15 -3.15 -0.08 0.00 -1.06 0.00 0.00 42.46 38.02 1ywu s ILE 90 CO -0.11 -0.29 1.41 -1.81 -0.10 0.00 0.00 174.94 174.05 1ywu s ASP 91 N 1.55 5.77 0.25 3.58 1.01 -1.26 -4.82 116.67 122.75 1ywu s ASP 91 Ca -0.00 2.88 -0.06 0.00 0.71 0.00 0.00 52.55 56.08 1ywu s ASP 91 Cb -0.21 -2.65 0.25 0.00 1.01 0.00 0.00 42.92 41.33 1ywu s ASP 91 CO 0.01 -1.25 1.92 -0.07 0.21 0.00 0.00 175.17 176.00 1ywu h LEU 92 N 2.16 1.16 -0.66 1.23 4.07 -1.98 0.97 115.31 122.26 1ywu h LEU 92 Ca -0.51 -0.04 -0.06 0.00 0.08 0.00 0.00 57.88 57.36 1ywu h LEU 92 Cb 1.27 -0.29 -0.03 0.00 1.08 0.00 0.00 40.66 42.70 1ywu h LEU 92 CO 0.60 0.85 0.19 -0.78 -1.08 0.00 0.00 178.44 178.22 1ywu h ASP 93 N 1.36 0.97 -0.18 -0.43 1.82 -1.99 0.36 116.42 118.33 1ywu h ASP 93 Ca 0.36 -0.22 0.02 0.00 -0.39 0.00 0.00 57.03 56.81 1ywu h ASP 93 Cb -0.14 -0.26 -0.02 0.00 0.68 0.00 0.00 39.33 39.59 1ywu h ASP 93 CO -0.08 0.93 0.04 -1.28 -1.61 0.00 0.00 179.24 177.25 1ywu h SER 94 N 0.96 0.02 -0.53 2.28 0.87 -1.58 -0.55 113.55 115.02 1ywu h SER 94 Ca 0.21 0.03 0.02 0.00 -1.23 0.00 0.00 61.79 60.82 1ywu h SER 94 Cb 0.32 0.03 -0.03 0.00 -0.44 0.00 0.00 62.40 62.28 1ywu h SER 94 CO -0.00 0.04 0.33 0.40 -0.53 0.00 0.00 176.83 177.06 1ywu h ILE 95 N 0.12 1.07 0.03 2.23 2.04 -0.55 -1.14 117.51 121.31 1ywu h ILE 95 Ca 0.08 -0.22 -0.00 0.00 1.00 0.00 0.00 64.86 65.72 1ywu h ILE 95 Cb 0.07 0.36 0.00 0.00 -0.74 0.00 0.00 36.82 36.51 1ywu h ILE 95 CO -0.10 0.12 -0.02 -1.28 0.00 0.00 0.00 178.15 176.87 1ywu h SER 96 N 0.66 -0.04 -0.26 1.72 0.87 -0.53 -0.95 113.55 115.02 1ywu h SER 96 Ca 0.21 -0.01 -0.06 0.00 -1.23 0.00 0.00 61.79 60.70 1ywu h SER 96 Cb 0.00 0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 61.95 1ywu h SER 96 CO -0.08 -0.02 -0.03 0.45 -0.53 0.00 0.00 176.83 176.62 1ywu h HIS 97 N -0.05 0.63 -0.12 2.24 3.86 -0.95 -1.34 115.15 119.42 1ywu h HIS 97 Ca -0.00 -0.08 -0.00 0.00 -1.16 0.00 0.00 60.37 59.13 1ywu h HIS 97 Cb 0.04 -0.18 -0.01 0.00 1.06 0.00 0.00 27.41 28.33 1ywu h HIS 97 CO -0.07 0.63 0.07 1.25 0.86 0.00 0.00 177.93 180.66 1ywu h LEU 98 N 0.57 0.15 -1.66 2.43 5.85 -0.81 -2.31 115.31 119.53 1ywu h LEU 98 Ca 0.11 -0.08 -0.04 0.00 0.84 0.00 0.00 57.88 58.72 1ywu h LEU 98 Cb 0.41 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.39 1ywu h LEU 98 CO 0.02 0.18 -0.18 -0.09 -0.34 0.00 0.00 178.44 178.03 1ywu h ARG 99 N 0.10 0.00 0.06 1.25 2.43 -0.81 -1.53 114.38 115.88 1ywu h ARG 99 Ca 0.04 0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.22 1ywu h ARG 99 Cb 0.07 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.60 1ywu h ARG 99 CO -0.01 0.18 -0.11 0.00 -1.51 0.00 0.00 179.97 178.53 1ywu h ARG 100 N 0.00 -0.20 -0.54 0.20 2.47 -0.71 0.15 114.38 115.74 1ywu h ARG 100 Ca -0.00 0.01 -0.05 0.00 -1.26 0.00 0.00 59.98 58.68 1ywu h ARG 100 Cb 0.34 0.05 -0.02 0.00 -1.65 0.00 0.00 29.97 28.68 1ywu h ARG 100 CO 0.02 -0.14 0.12 1.25 0.56 0.00 0.00 179.97 181.79 1ywu h LEU 101 N -0.21 0.83 -1.33 3.04 5.85 -1.02 0.25 115.31 122.71 1ywu h LEU 101 Ca 0.02 -0.24 -0.00 0.00 0.84 0.00 0.00 57.88 58.50 1ywu h LEU 101 Cb 0.23 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.01 1ywu h LEU 101 CO -0.06 0.85 0.38 0.58 -0.34 0.00 0.00 178.44 179.85 1ywu h VAL 102 N 0.77 1.17 -0.01 1.05 2.07 -1.10 0.36 116.25 120.56 1ywu h VAL 102 Ca 0.17 -0.37 -0.01 0.00 0.82 0.00 0.00 66.70 67.32 1ywu h VAL 102 Cb 0.35 0.28 -0.00 0.00 -1.52 0.00 0.00 31.29 30.41 1ywu h VAL 102 CO 0.00 0.18 -0.02 -0.08 0.02 0.00 0.00 177.57 177.67 1ywu h GLU 103 N 0.85 0.04 -0.23 1.57 4.81 -0.23 0.25 114.58 121.65 1ywu h GLU 103 Ca 0.23 -0.02 -0.09 0.00 -0.13 0.00 0.00 59.36 59.34 1ywu h GLU 103 Cb -0.05 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.32 1ywu h GLU 103 CO -0.04 0.54 -0.26 -0.07 -0.73 0.00 0.00 179.01 178.45 1ywu h LEU 104 N -0.46 0.43 -0.21 1.64 3.38 -0.66 -2.74 115.31 116.70 1ywu h LEU 104 Ca 0.00 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.83 1ywu h LEU 104 Cb 0.54 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1ywu h LEU 104 CO 0.00 0.69 -0.41 -3.20 0.09 0.00 0.00 178.44 175.61 1ywu n ASN 105 N -4.12 0.74 -3.42 -0.43 2.85 0.12 -4.94 115.26 106.06 1ywu n ASN 105 Ca -0.01 -0.54 -0.23 0.00 -0.11 0.00 0.00 54.58 53.70 1ywu n ASN 105 Cb 0.40 0.22 0.07 0.00 1.24 0.00 0.00 39.78 41.72 1ywu n ASN 105 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 1ywu n LEU 106 N -1.15 -3.29 -0.32 1.20 4.77 -0.07 -4.89 117.00 113.26 1ywu n LEU 106 Ca 0.08 -0.50 0.06 0.00 -0.03 0.00 0.00 56.01 55.62 1ywu n LEU 106 Cb 0.34 -2.93 0.23 0.00 -2.33 0.00 0.00 43.42 38.73 1ywu n LEU 106 CO 0.31 0.60 0.66 0.61 -1.33 0.00 0.00 177.39 178.24 1ywu n GLY 107 N -1.92 -0.22 1.33 -0.72 0.00 0.68 -4.98 105.19 99.37 1ywu n GLY 107 Ca -0.00 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.06 -5.57 0.21 1.61 2.03 -1.26 -4.80 116.55 108.71 1ywu n ASP 108 Ca 0.10 0.72 0.11 0.00 0.52 0.00 0.00 54.79 56.24 1ywu n ASP 108 Cb 0.17 -3.08 0.22 0.00 -0.72 0.00 0.00 41.12 37.71 1ywu n ASP 108 CO 0.00 0.00 0.00 1.05 -1.92 0.00 0.00 177.20 176.33 1ywu h GLU 109 N 2.20 0.00 -0.54 -0.67 4.11 -1.93 -3.27 114.58 114.48 1ywu h GLU 109 Ca 0.00 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 59.34 1ywu h GLU 109 Cb 0.00 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1ywu h GLU 109 CO 0.00 0.11 -0.01 1.49 0.07 0.00 0.00 179.01 180.67 1ywu h GLU 110 N 0.00 0.93 -0.36 1.06 4.81 -1.98 -2.03 114.58 117.00 1ywu h GLU 110 Ca -0.00 -0.28 0.09 0.00 -0.13 0.00 0.00 59.36 59.04 1ywu h GLU 110 Cb 1.00 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 30.27 1ywu h GLU 110 CO 0.01 0.92 0.26 -0.07 -0.73 0.00 0.00 179.01 179.40 1ywu h LEU 111 N 0.86 0.10 -0.48 1.64 3.38 -1.87 -0.49 115.31 118.45 1ywu h LEU 111 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1ywu h LEU 111 Cb 0.51 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.25 1ywu h LEU 111 CO 0.03 0.06 0.00 -0.07 0.09 0.00 0.00 178.44 178.55 1ywu h LEU 112 N 0.11 0.00 -3.26 1.67 3.38 -1.53 -3.20 115.31 112.48 1ywu h LEU 112 Ca 0.17 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.04 1ywu h LEU 112 Cb 0.54 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.23 1ywu h LEU 112 CO -0.02 0.00 -0.09 -0.62 0.09 0.00 0.00 178.44 177.80 1ywu n GLU 113 N -2.47 2.03 0.00 1.13 1.02 -0.19 -2.40 120.64 119.76 1ywu n GLU 113 Ca 0.03 -3.04 0.00 0.00 -0.02 0.00 0.00 57.16 54.13 1ywu n GLU 113 Cb 0.35 -1.77 0.00 0.00 -0.02 0.00 0.00 31.44 30.00 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 -1.00 0.00 -3.62 3.49 1.74 -1.21 -5.07 116.66 110.99 1ywu n ARG 114 Ca 0.27 0.00 -0.01 0.00 -0.77 0.00 0.00 57.85 57.34 1ywu n ARG 114 Cb 0.92 -0.00 -0.02 0.00 -1.02 0.00 0.00 32.46 32.34 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 0.08 0.18 5.56 -6.30 -1.26 -4.91 118.70 112.05 1ywu s GLU 115 Ca 0.00 -0.03 -0.11 0.00 -2.50 0.00 0.00 54.97 52.32 1ywu s GLU 115 Cb 0.00 0.03 0.09 0.00 0.00 0.00 0.00 34.13 34.26 1ywu s GLU 115 CO 0.00 -0.04 1.76 1.25 0.02 0.00 0.00 175.26 178.25 1ywu h LEU 116 N 2.00 0.85 0.00 2.70 5.85 -1.89 0.52 115.31 125.34 1ywu h LEU 116 Ca -0.10 -0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.47 1ywu h LEU 116 Cb 1.15 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.96 1ywu h LEU 116 CO 0.22 0.76 0.00 0.00 -0.34 0.00 0.00 178.44 179.08 1ywu n ALA 117 N -2.36 2.16 0.24 1.25 0.00 -1.26 -2.37 120.51 118.17 1ywu n ALA 117 Ca 0.04 -0.10 0.07 0.00 0.00 0.00 0.00 53.44 53.45 1ywu n ALA 117 Cb 0.14 -1.37 0.11 0.00 0.00 0.00 0.00 19.45 18.33 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 -1.32 2.56 -4.35 0.00 4.77 -0.24 -4.90 117.00 113.52 1ywu n LEU 118 Ca 0.10 -1.42 -0.45 0.00 -0.03 0.00 0.00 56.01 54.21 1ywu n LEU 118 Cb 0.20 -0.12 -0.06 0.00 -2.33 0.00 0.00 43.42 41.10 1ywu n LEU 118 CO 0.18 0.56 0.08 -0.76 -1.33 0.00 0.00 177.39 176.12 1ywu s LEU 119 N -1.08 5.87 0.19 2.23 1.02 0.01 -4.64 118.68 122.28 1ywu s LEU 119 Ca 0.21 -1.54 0.01 0.00 0.02 0.00 0.00 54.13 52.83 1ywu s LEU 119 Cb 0.13 -2.19 -0.04 0.00 0.02 0.00 0.00 46.19 44.11 1ywu s LEU 119 CO 0.18 -0.74 0.36 -0.69 0.02 0.00 0.00 176.35 175.48 1ywu s VAL 120 N 1.62 5.24 1.23 -1.59 1.01 -1.26 -4.97 120.40 121.68 1ywu s VAL 120 Ca 0.04 -0.49 -0.15 0.00 0.00 0.00 0.00 61.98 61.37 1ywu s VAL 120 Cb -0.27 -3.74 0.31 0.00 0.00 0.00 0.00 36.38 32.68 1ywu s VAL 120 CO 0.05 -0.16 1.00 -0.94 0.00 0.00 0.00 175.10 175.05 1ywu s SER 121 N -3.23 0.44 0.31 3.32 1.04 -1.26 -4.78 113.70 109.55 1ywu s SER 121 Ca 0.37 1.32 0.08 0.00 0.48 0.00 0.00 55.95 58.20 1ywu s SER 121 Cb -0.11 -2.02 0.89 0.00 0.10 0.00 0.00 66.02 64.88 1ywu s SER 121 CO 0.29 -4.50 1.68 0.00 0.98 0.00 0.00 173.24 171.68 1ywu h ALA 122 N -2.83 1.66 -2.78 5.32 0.00 -1.94 -3.38 119.26 115.31 1ywu h ALA 122 Ca -0.58 0.18 -0.59 0.00 0.00 0.00 0.00 54.91 53.92 1ywu h ALA 122 Cb 1.34 0.17 -0.09 0.00 0.00 0.00 0.00 17.79 19.21 1ywu h ALA 122 CO 0.46 -0.45 -0.62 -3.38 0.00 0.00 0.00 179.25 175.26 1ywu s HIS 123 N -5.79 2.95 0.01 0.00 -3.43 -1.26 -4.65 115.29 103.12 1ywu s HIS 123 Ca -0.11 -0.10 0.03 0.00 -0.80 0.00 0.00 55.06 54.09 1ywu s HIS 123 Cb 0.28 -1.42 -0.01 0.00 -1.43 0.00 0.00 32.58 29.99 1ywu s HIS 123 CO 0.78 0.52 -0.10 0.16 -2.00 0.00 0.00 174.74 174.11 1ywu s ASP 124 N -3.04 1.15 0.00 7.38 -4.77 -1.26 -5.03 116.67 111.10 1ywu s ASP 124 Ca 0.29 -0.27 0.27 0.00 -3.30 0.00 0.00 52.55 49.54 1ywu s ASP 124 Cb -0.09 -0.10 0.76 0.00 -1.09 0.00 0.00 42.92 42.40 1ywu s ASP 124 CO 0.20 0.06 1.58 0.47 0.70 0.00 0.00 175.17 178.18