#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 2.98 -4.65 7.83 3.41 -1.26 -4.90 113.62 117.02 1ywu n SER 2 Ca 0.00 -2.35 -0.43 0.00 -0.26 0.00 0.00 58.87 55.84 1ywu n SER 2 Cb 0.00 -0.51 -0.03 0.00 -0.26 0.00 0.00 64.21 63.41 1ywu n SER 2 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1ywu s ASP 3 N -0.51 6.64 -0.06 4.04 1.11 -1.26 -4.92 116.67 121.71 1ywu s ASP 3 Ca 0.26 1.99 -0.06 0.00 0.18 0.00 0.00 52.55 54.91 1ywu s ASP 3 Cb 0.18 -2.53 -0.04 0.00 1.07 0.00 0.00 42.92 41.60 1ywu s ASP 3 CO 0.09 -0.98 0.29 1.56 1.18 0.00 0.00 175.17 177.32 1ywu h GLN 4 N 9.60 -0.22 -2.65 8.23 4.20 -2.10 -3.42 115.11 128.74 1ywu h GLN 4 Ca -0.36 0.02 -0.59 0.00 0.06 0.00 0.00 58.65 57.78 1ywu h GLN 4 Cb 1.16 0.05 -0.39 0.00 0.30 0.00 0.00 27.48 28.60 1ywu h GLN 4 CO 0.97 -0.15 -0.83 -1.58 -0.67 0.00 0.00 178.83 176.57 1ywu s HIS 5 N -2.28 0.98 -0.38 2.96 2.46 -1.26 -5.10 115.29 112.67 1ywu s HIS 5 Ca -0.03 -1.81 -0.29 0.00 0.47 0.00 0.00 55.06 53.40 1ywu s HIS 5 Cb 0.00 -1.10 0.02 0.00 -0.13 0.00 0.00 32.58 31.38 1ywu s HIS 5 CO 0.10 -0.82 1.10 0.34 -2.47 0.00 0.00 174.74 172.99 1ywu s ASP 6 N 0.88 6.82 0.00 9.88 3.68 -1.26 -4.86 116.67 131.81 1ywu s ASP 6 Ca 0.19 0.84 0.27 0.00 2.13 0.00 0.00 52.55 55.97 1ywu s ASP 6 Cb -0.22 -2.55 0.80 0.00 -1.45 0.00 0.00 42.92 39.50 1ywu s ASP 6 CO -0.00 -1.01 1.60 -0.62 0.13 0.00 0.00 175.17 175.27 1ywu n GLU 7 N 7.22 0.25 -1.37 4.34 4.71 -1.26 -5.04 120.64 129.49 1ywu n GLU 7 Ca 0.12 -0.12 0.00 0.00 -0.01 0.00 0.00 57.16 57.15 1ywu n GLU 7 Cb 0.48 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.41 1ywu n GLU 7 CO 0.00 0.00 0.00 -2.13 0.09 0.00 0.00 177.13 175.09 1ywu n ARG 8 N -1.27 -3.43 -1.79 3.49 0.63 -1.26 -4.86 116.66 108.17 1ywu n ARG 8 Ca 0.08 2.56 -0.42 0.00 -0.92 0.00 0.00 57.85 59.16 1ywu n ARG 8 Cb 0.33 -2.65 -0.03 0.00 0.45 0.00 0.00 32.46 30.56 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 -2.02 4.16 0.52 -0.14 3.52 -1.26 -4.99 118.95 118.74 1ywu s ARG 9 Ca 0.00 2.50 0.01 0.00 -0.13 0.00 0.00 55.73 58.11 1ywu s ARG 9 Cb 0.00 -3.70 0.02 0.00 -1.56 0.00 0.00 34.95 29.71 1ywu s ARG 9 CO 0.00 -0.83 0.74 1.03 -0.81 0.00 0.00 175.30 175.43 1ywu s ARG 10 N 3.05 2.69 -0.07 5.12 0.52 -1.26 -5.06 118.95 123.92 1ywu s ARG 10 Ca 0.80 -0.73 -0.23 0.00 -0.52 0.00 0.00 55.73 55.05 1ywu s ARG 10 Cb -0.43 -2.52 -0.04 0.00 0.52 0.00 0.00 34.95 32.49 1ywu s ARG 10 CO 0.36 -0.58 0.67 0.12 0.02 0.00 0.00 175.30 175.88 1ywu s PHE 11 N -2.69 3.57 -0.11 -0.53 2.19 -1.26 -5.02 117.98 114.13 1ywu s PHE 11 Ca 0.55 1.19 -0.29 0.00 0.33 0.00 0.00 56.93 58.71 1ywu s PHE 11 Cb -0.10 -2.77 -0.03 0.00 -1.31 0.00 0.00 43.02 38.81 1ywu s PHE 11 CO 0.38 0.10 1.40 -1.58 1.83 0.00 0.00 175.22 177.35 1ywu s HIS 12 N 0.78 2.58 1.06 10.12 5.65 -1.26 -5.01 115.29 129.21 1ywu s HIS 12 Ca 0.36 0.73 -0.12 0.00 0.25 0.00 0.00 55.06 56.28 1ywu s HIS 12 Cb -0.17 -3.65 0.23 0.00 -1.18 0.00 0.00 32.58 27.81 1ywu s HIS 12 CO 0.17 -2.45 1.06 1.03 -0.65 0.00 0.00 174.74 173.90 1ywu s ARG 13 N 3.54 -0.11 -1.01 2.88 1.81 -1.26 -4.88 118.95 119.92 1ywu s ARG 13 Ca 0.62 0.75 -0.23 0.00 -1.72 0.00 0.00 55.73 55.14 1ywu s ARG 13 Cb -0.26 -1.65 0.03 0.00 -0.45 0.00 0.00 34.95 32.61 1ywu s ARG 13 CO 0.21 -3.16 1.59 -1.50 -0.68 0.00 0.00 175.30 171.75 1ywu s ILE 14 N -2.71 3.81 -0.28 1.52 2.07 -1.26 -4.85 121.20 119.51 1ywu s ILE 14 Ca 0.67 -0.72 -0.04 0.00 -1.41 0.00 0.00 60.65 59.15 1ywu s ILE 14 Cb -0.22 -4.81 0.09 0.00 0.13 0.00 0.00 42.46 37.65 1ywu s ILE 14 CO 0.61 -1.70 0.12 0.00 -1.91 0.00 0.00 174.94 172.06 1ywu s ALA 15 N 6.23 0.71 0.81 1.50 0.00 -1.26 -3.32 121.76 126.44 1ywu s ALA 15 Ca 0.52 -1.05 -0.12 0.00 0.00 0.00 0.00 51.96 51.31 1ywu s ALA 15 Cb -0.01 -1.37 0.08 0.00 0.00 0.00 0.00 23.12 21.82 1ywu s ALA 15 CO -0.07 -1.58 1.12 -0.06 0.00 0.00 0.00 175.76 175.17 1ywu s PHE 16 N 2.04 2.85 -0.01 0.00 0.08 -1.26 -4.90 117.98 116.79 1ywu s PHE 16 Ca 0.08 0.98 -0.04 0.00 0.12 0.00 0.00 56.93 58.07 1ywu s PHE 16 Cb -0.16 -3.26 -0.18 0.00 -0.57 0.00 0.00 43.02 38.86 1ywu s PHE 16 CO -0.31 -1.83 3.08 -0.25 -0.10 0.00 0.00 175.22 175.81 1ywu n ASP 17 N -3.43 5.30 -4.88 1.36 9.92 -1.26 -4.89 116.55 118.67 1ywu n ASP 17 Ca 0.07 -2.47 -0.35 0.00 -0.53 0.00 0.00 54.79 51.51 1ywu n ASP 17 Cb 0.58 -1.32 -0.05 0.00 -0.64 0.00 0.00 41.12 39.69 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 0.63 3.83 -0.29 2.24 0.00 -1.26 -4.93 121.76 121.98 1ywu s ALA 18 Ca 0.45 -0.54 -0.19 0.00 0.00 0.00 0.00 51.96 51.68 1ywu s ALA 18 Cb 0.22 -2.09 -0.02 0.00 0.00 0.00 0.00 23.12 21.23 1ywu s ALA 18 CO -0.00 0.63 0.57 -0.51 0.00 0.00 0.00 175.76 176.45 1ywu s ASP 19 N -1.65 6.46 -0.30 0.00 1.11 -0.80 -4.83 116.67 116.66 1ywu s ASP 19 Ca 0.27 0.44 -0.07 0.00 0.18 0.00 0.00 52.55 53.36 1ywu s ASP 19 Cb -0.13 -2.30 0.00 0.00 1.07 0.00 0.00 42.92 41.56 1ywu s ASP 19 CO 0.16 -0.39 0.10 -0.55 1.18 0.00 0.00 175.17 175.66 1ywu s SER 20 N 1.60 5.23 -0.17 0.27 0.15 -1.26 -0.36 113.70 119.15 1ywu s SER 20 Ca 0.23 -0.65 -0.06 0.00 0.70 0.00 0.00 55.95 56.17 1ywu s SER 20 Cb -0.15 -1.91 -0.03 0.00 -1.71 0.00 0.00 66.02 62.21 1ywu s SER 20 CO 0.11 -0.19 0.02 -1.61 1.20 0.00 0.00 173.24 172.76 1ywu s GLU 21 N 1.53 3.83 -0.34 5.44 2.02 -0.03 -0.40 118.70 130.75 1ywu s GLU 21 Ca 0.03 -0.43 -0.15 0.00 0.02 0.00 0.00 54.97 54.44 1ywu s GLU 21 Cb -0.17 -3.08 -0.01 0.00 0.10 0.00 0.00 34.13 30.96 1ywu s GLU 21 CO 0.03 0.24 0.38 0.42 0.02 0.00 0.00 175.26 176.35 1ywu s ILE 22 N 0.41 5.15 -0.14 -1.63 1.01 0.43 -0.80 121.20 125.63 1ywu s ILE 22 Ca -0.00 0.09 -0.07 0.00 0.00 0.00 0.00 60.65 60.67 1ywu s ILE 22 Cb -0.13 -3.83 -0.04 0.00 0.01 0.00 0.00 42.46 38.47 1ywu s ILE 22 CO 0.02 -0.10 0.10 -0.76 0.00 0.00 0.00 174.94 174.20 1ywu s LEU 23 N 2.05 4.11 -0.76 2.97 1.43 0.26 -0.44 118.68 128.30 1ywu s LEU 23 Ca 0.12 0.29 0.03 0.00 -1.03 0.00 0.00 54.13 53.54 1ywu s LEU 23 Cb -0.16 -2.01 0.21 0.00 0.03 0.00 0.00 46.19 44.25 1ywu s LEU 23 CO 0.12 0.31 0.67 1.67 0.23 0.00 0.00 176.35 179.35 1ywu n GLN 24 N 2.65 2.32 0.00 1.70 -0.06 0.43 -1.87 117.38 122.56 1ywu n GLN 24 Ca -0.18 -4.54 0.00 0.00 -2.00 0.00 0.00 57.00 50.28 1ywu n GLN 24 Cb 0.54 -2.32 0.00 0.00 -4.06 0.00 0.00 30.24 24.39 1ywu n GLN 24 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1ywu n GLY 25 N 1.75 1.73 0.00 1.69 0.00 -1.26 -3.10 105.19 106.01 1ywu n GLY 25 Ca 0.23 0.07 -0.00 0.00 0.00 0.00 0.00 46.02 46.32 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 1.56 -3.23 1.61 1.02 -1.26 -5.03 120.64 115.31 1ywu n GLU 26 Ca 0.00 0.00 -0.38 0.00 -0.02 0.00 0.00 57.16 56.76 1ywu n GLU 26 Cb 0.00 -1.02 -0.06 0.00 -0.02 0.00 0.00 31.44 30.35 1ywu n GLU 26 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 1ywu s ARG 27 N -2.02 4.36 -0.05 3.49 3.52 -1.18 -5.06 118.95 122.02 1ywu s ARG 27 Ca -0.01 0.59 0.02 0.00 -0.13 0.00 0.00 55.73 56.21 1ywu s ARG 27 Cb 0.00 -3.43 -0.03 0.00 -1.56 0.00 0.00 34.95 29.93 1ywu s ARG 27 CO 0.02 0.15 -0.11 -0.98 -0.81 0.00 0.00 175.30 173.57 1ywu s ARG 28 N 0.62 2.60 -0.23 5.12 1.70 -1.26 -0.43 118.95 127.08 1ywu s ARG 28 Ca 0.30 -0.64 0.01 0.00 -0.47 0.00 0.00 55.73 54.93 1ywu s ARG 28 Cb -0.16 -2.48 0.06 0.00 -0.57 0.00 0.00 34.95 31.80 1ywu s ARG 28 CO 0.13 0.64 -0.07 -1.58 -1.08 0.00 0.00 175.30 173.34 1ywu s TRP 29 N -0.79 2.48 -0.04 5.89 0.51 0.42 -4.93 118.94 122.47 1ywu s TRP 29 Ca 0.12 -1.77 -0.30 0.00 -2.12 0.00 0.00 56.10 52.04 1ywu s TRP 29 Cb -0.11 -1.62 -0.06 0.00 -0.81 0.00 0.00 33.47 30.87 1ywu s TRP 29 CO 0.01 -0.78 1.62 -1.21 -0.51 0.00 0.00 176.95 176.08 1ywu s GLU 30 N 1.37 4.19 0.30 4.98 8.01 -1.26 -0.42 118.70 135.87 1ywu s GLU 30 Ca -0.05 2.16 0.10 0.00 0.01 0.00 0.00 54.97 57.20 1ywu s GLU 30 Cb -0.18 -3.89 -0.05 0.00 -4.31 0.00 0.00 34.13 25.69 1ywu s GLU 30 CO -0.06 -0.80 -0.07 0.54 0.01 0.00 0.00 175.26 174.87 1ywu s VAL 31 N 3.70 2.82 -0.28 2.63 0.11 0.46 -4.96 120.40 124.89 1ywu s VAL 31 Ca 0.72 -2.11 -0.20 0.00 -2.93 0.00 0.00 61.98 57.46 1ywu s VAL 31 Cb -0.33 -2.64 -0.02 0.00 -1.53 0.00 0.00 36.38 31.86 1ywu s VAL 31 CO 0.29 -0.32 0.61 -0.76 -3.33 0.00 0.00 175.10 171.58 1ywu s LEU 32 N -3.63 4.10 0.44 2.54 1.02 -1.24 -4.18 118.68 117.73 1ywu s LEU 32 Ca 0.32 0.54 -0.23 0.00 0.02 0.00 0.00 54.13 54.78 1ywu s LEU 32 Cb -0.04 -2.80 -0.08 0.00 0.02 0.00 0.00 46.19 43.30 1ywu s LEU 32 CO 0.18 -0.40 1.14 -0.22 0.02 0.00 0.00 176.35 177.07 1ywu s LEU 33 N 2.51 4.05 0.00 1.79 2.96 -1.26 -1.27 118.68 127.46 1ywu s LEU 33 Ca 0.25 2.24 0.00 0.00 -0.22 0.00 0.00 54.13 56.40 1ywu s LEU 33 Cb -0.15 -4.22 0.00 0.00 0.50 0.00 0.00 46.19 42.32 1ywu s LEU 33 CO 0.10 -0.81 0.00 1.41 -1.32 0.00 0.00 176.35 175.73 1ywu n HIS 34 N -0.37 0.00 -3.71 5.38 8.25 -0.77 -4.87 115.22 119.13 1ywu n HIS 34 Ca 0.07 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.40 1ywu n HIS 34 Cb 0.48 0.09 -0.09 0.00 1.12 0.00 0.00 29.99 31.59 1ywu n HIS 34 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1ywu s ASP 35 N -4.15 -0.51 0.00 0.41 -1.08 -0.98 -4.42 116.67 105.95 1ywu s ASP 35 Ca 0.00 0.96 0.01 0.00 -0.52 0.00 0.00 52.55 53.00 1ywu s ASP 35 Cb 0.00 0.95 -0.00 0.00 -1.46 0.00 0.00 42.92 42.41 1ywu s ASP 35 CO 0.00 -0.17 -0.03 0.54 0.52 0.00 0.00 175.17 176.03 1ywu s VAL 36 N 0.41 0.23 0.00 1.11 0.11 -1.21 -0.38 120.40 120.67 1ywu s VAL 36 Ca -0.01 -0.18 0.00 0.00 -2.93 0.00 0.00 61.98 58.86 1ywu s VAL 36 Cb -0.04 -0.21 0.00 0.00 -1.53 0.00 0.00 36.38 34.60 1ywu s VAL 36 CO -0.01 0.03 0.00 -0.24 -3.33 0.00 0.00 175.10 171.54 1ywu n SER 37 N 2.91 0.00 -0.76 3.54 2.88 -0.72 -4.83 113.62 116.64 1ywu n SER 37 Ca -0.13 -0.98 0.06 0.00 -1.33 0.00 0.00 58.87 56.49 1ywu n SER 37 Cb 0.59 0.00 0.17 0.00 -0.75 0.00 0.00 64.21 64.22 1ywu n SER 37 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 1ywu n LEU 38 N 0.00 2.18 -0.43 2.46 7.94 -1.22 -3.43 117.00 124.50 1ywu n LEU 38 Ca 0.00 -1.09 0.01 0.00 -1.11 0.00 0.00 56.01 53.81 1ywu n LEU 38 Cb 0.00 -0.29 0.01 0.00 0.53 0.00 0.00 43.42 43.67 1ywu n LEU 38 CO 0.00 0.51 0.27 0.00 -1.11 0.00 0.00 177.39 177.06 1ywu n HIS 39 N 0.60 0.00 0.00 1.96 1.44 -1.26 -4.96 115.22 113.00 1ywu n HIS 39 Ca 0.13 -0.05 0.00 0.00 -2.01 0.00 0.00 57.72 55.79 1ywu n HIS 39 Cb 0.36 -0.05 0.00 0.00 0.12 0.00 0.00 29.99 30.42 1ywu n HIS 39 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1ywu n GLY 40 N -0.08 0.96 3.54 -1.39 0.00 -1.22 -3.89 105.19 103.10 1ywu n GLY 40 Ca 0.01 -1.91 -0.13 0.00 0.00 0.00 0.00 46.02 43.98 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 -2.47 -0.00 -0.22 -0.61 2.07 -0.90 -1.76 121.20 117.31 1ywu s ILE 41 Ca 0.00 0.00 -0.02 0.00 -1.41 0.00 0.00 60.65 59.22 1ywu s ILE 41 Cb 0.00 -0.88 0.01 0.00 0.13 0.00 0.00 42.46 41.72 1ywu s ILE 41 CO 0.00 0.00 -0.09 -0.22 -1.91 0.00 0.00 174.94 172.72 1ywu s LEU 42 N 0.43 2.82 0.33 8.50 2.96 0.49 -0.95 118.68 133.27 1ywu s LEU 42 Ca -0.01 -0.63 0.04 0.00 -0.22 0.00 0.00 54.13 53.31 1ywu s LEU 42 Cb -0.05 -1.65 -0.07 0.00 0.50 0.00 0.00 46.19 44.93 1ywu s LEU 42 CO -0.01 -0.06 0.05 0.68 -1.32 0.00 0.00 176.35 175.70 1ywu s VAL 43 N 1.38 1.28 -0.33 1.68 -7.23 -0.25 -1.85 120.40 115.07 1ywu s VAL 43 Ca 0.04 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.18 1ywu s VAL 43 Cb -0.15 -2.82 0.07 0.00 0.56 0.00 0.00 36.38 34.04 1ywu s VAL 43 CO -0.06 -0.00 0.06 -0.83 -0.31 0.00 0.00 175.10 173.96 1ywu s GLY 44 N -3.51 1.83 -0.23 2.32 0.00 -0.39 -0.44 107.32 106.89 1ywu s GLY 44 Ca 0.36 -1.98 0.01 0.00 0.00 0.00 0.00 44.72 43.12 1ywu s GLY 44 CO 0.16 0.80 -0.09 1.62 0.00 0.00 0.00 173.10 175.59 1ywu s GLN 45 N 1.23 1.95 0.00 2.90 2.00 -1.04 -3.69 119.66 123.01 1ywu s GLN 45 Ca -0.01 -1.04 -0.04 0.00 -2.00 0.00 0.00 55.36 52.27 1ywu s GLN 45 Cb -0.20 -2.62 -0.18 0.00 0.80 0.00 0.00 33.01 30.81 1ywu s GLN 45 CO -0.02 -0.53 2.87 -2.30 -0.50 0.00 0.00 175.29 174.81 1ywu n PRO 46 N 4.61 1.53 -4.04 1.67 -0.02 -1.26 -4.80 135.00 132.69 1ywu n PRO 46 Ca -0.14 -0.65 -0.19 0.00 -2.02 0.00 0.00 63.50 60.50 1ywu n PRO 46 Cb 0.44 -1.71 -0.16 0.00 -0.02 0.00 0.00 33.50 32.05 1ywu n PRO 46 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 1ywu s GLN 47 N 0.98 0.64 0.00 -0.52 -0.44 -1.26 -5.01 119.66 114.05 1ywu s GLN 47 Ca 0.44 -0.02 0.00 0.00 -2.50 0.00 0.00 55.36 53.28 1ywu s GLN 47 Cb 0.21 -0.75 0.00 0.00 -1.64 0.00 0.00 33.01 30.83 1ywu s GLN 47 CO 0.00 -0.13 0.47 -0.25 0.50 0.00 0.00 175.29 175.88 1ywu n ASP 48 N 4.22 0.80 -0.80 6.67 8.00 -1.26 -4.94 116.55 129.25 1ywu n ASP 48 Ca -0.23 -1.73 0.00 0.00 0.71 0.00 0.00 54.79 53.54 1ywu n ASP 48 Cb 0.51 -0.40 0.00 0.00 -0.02 0.00 0.00 41.12 41.21 1ywu n ASP 48 CO 0.00 0.00 0.00 0.79 -0.39 0.00 0.00 177.20 177.60 1ywu n TRP 49 N 0.02 -2.19 0.22 1.24 5.03 -1.26 -4.72 117.44 115.78 1ywu n TRP 49 Ca 0.00 1.18 0.08 0.00 3.03 0.00 0.00 57.50 61.79 1ywu n TRP 49 Cb 0.20 -2.16 0.52 0.00 -1.03 0.00 0.00 31.31 28.84 1ywu n TRP 49 CO 0.00 0.00 0.00 -2.95 -0.03 0.00 0.00 177.69 174.71 1ywu h ASN 50 N 0.43 0.00 0.00 -0.99 7.08 -2.04 -3.43 115.58 116.63 1ywu h ASN 50 Ca 0.00 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.22 1ywu h ASN 50 Cb 0.26 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.50 1ywu h ASN 50 CO 0.00 0.24 0.00 0.61 -2.08 0.00 0.00 177.43 176.20 1ywu n GLY 51 N -0.42 -0.17 3.32 9.14 0.00 -1.26 -5.17 105.19 110.62 1ywu n GLY 51 Ca -0.01 0.02 -0.12 0.00 0.00 0.00 0.00 46.02 45.91 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 0.60 -0.26 -0.19 1.61 -4.77 -1.26 -5.07 116.67 107.32 1ywu s ASP 52 Ca 0.00 -0.08 -0.01 0.00 -3.30 0.00 0.00 52.55 49.16 1ywu s ASP 52 Cb 0.00 0.43 0.10 0.00 -1.09 0.00 0.00 42.92 42.36 1ywu s ASP 52 CO 0.00 -0.70 2.15 -0.81 0.70 0.00 0.00 175.17 176.51 1ywu n PRO 53 N 0.35 1.56 0.00 2.11 -0.04 -1.26 -3.34 135.00 134.38 1ywu n PRO 53 Ca -0.18 -1.01 0.00 0.00 -0.04 0.00 0.00 63.50 62.28 1ywu n PRO 53 Cb 0.61 -1.44 0.00 0.00 -0.04 0.00 0.00 33.50 32.62 1ywu n PRO 53 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ywu n GLN 54 N 0.93 0.35 -3.85 0.54 -0.00 -1.26 -4.72 117.38 109.36 1ywu n GLN 54 Ca 0.21 -0.64 -0.36 0.00 -0.00 0.00 0.00 57.00 56.21 1ywu n GLN 54 Cb 0.57 -0.82 -0.07 0.00 -0.00 0.00 0.00 30.24 29.92 1ywu n GLN 54 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.06 177.56 1ywu s ARG 55 N -0.25 3.63 0.20 2.61 3.52 -1.21 -5.00 118.95 122.45 1ywu s ARG 55 Ca 0.00 -0.16 -0.32 0.00 -0.13 0.00 0.00 55.73 55.11 1ywu s ARG 55 Cb 0.00 -3.24 -0.13 0.00 -1.56 0.00 0.00 34.95 30.02 1ywu s ARG 55 CO 0.00 0.65 1.54 -0.35 -0.81 0.00 0.00 175.30 176.33 1ywu n PRO 56 N 2.39 2.22 -4.31 5.12 -0.04 -1.26 -4.54 135.00 134.58 1ywu n PRO 56 Ca -0.19 0.80 -0.28 0.00 -0.04 0.00 0.00 63.50 63.79 1ywu n PRO 56 Cb 0.54 -2.54 -0.11 0.00 -0.04 0.00 0.00 33.50 31.36 1ywu n PRO 56 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1ywu s PHE 57 N 0.53 2.54 -0.07 0.54 2.99 0.47 -4.93 117.98 120.05 1ywu s PHE 57 Ca 0.74 -0.26 0.04 0.00 0.00 0.00 0.00 56.93 57.45 1ywu s PHE 57 Cb -0.64 -1.30 -0.02 0.00 0.00 0.00 0.00 43.02 41.07 1ywu s PHE 57 CO 0.42 0.45 -0.19 -1.21 -0.00 0.00 0.00 175.22 174.69 1ywu s GLU 58 N -2.48 2.68 -0.15 0.44 2.02 -0.78 -1.85 118.70 118.58 1ywu s GLU 58 Ca 0.21 -0.80 0.01 0.00 0.02 0.00 0.00 54.97 54.41 1ywu s GLU 58 Cb -0.10 -2.32 0.00 0.00 0.10 0.00 0.00 34.13 31.82 1ywu s GLU 58 CO 0.12 0.43 -0.17 0.00 0.02 0.00 0.00 175.26 175.66 1ywu s ALA 59 N -0.26 2.41 -0.22 5.21 0.00 -1.03 -0.57 121.76 127.30 1ywu s ALA 59 Ca 0.00 -1.06 0.01 0.00 0.00 0.00 0.00 51.96 50.91 1ywu s ALA 59 Cb -0.13 -1.15 0.05 0.00 0.00 0.00 0.00 23.12 21.89 1ywu s ALA 59 CO 0.03 -0.03 -0.09 0.50 0.00 0.00 0.00 175.76 176.17 1ywu s ARG 60 N 0.82 1.94 -0.21 0.00 3.52 0.02 -2.26 118.95 122.78 1ywu s ARG 60 Ca -0.06 -0.95 -0.08 0.00 -0.13 0.00 0.00 55.73 54.51 1ywu s ARG 60 Cb -0.15 -2.53 -0.04 0.00 -1.56 0.00 0.00 34.95 30.67 1ywu s ARG 60 CO -0.01 -0.49 0.08 -0.51 -0.81 0.00 0.00 175.30 173.56 1ywu s LEU 61 N 1.36 3.76 -0.38 -0.88 1.43 0.46 -0.85 118.68 123.58 1ywu s LEU 61 Ca -0.04 0.01 -0.13 0.00 -1.03 0.00 0.00 54.13 52.94 1ywu s LEU 61 Cb -0.17 -1.97 0.01 0.00 0.03 0.00 0.00 46.19 44.08 1ywu s LEU 61 CO -0.07 0.10 0.26 -0.31 0.23 0.00 0.00 176.35 176.56 1ywu s TYR 62 N 0.79 3.23 -0.10 0.29 2.02 0.51 -1.02 117.35 123.07 1ywu s TYR 62 Ca 0.04 -0.55 0.15 0.00 -0.37 0.00 0.00 57.07 56.35 1ywu s TYR 62 Cb -0.13 -2.52 -0.22 0.00 -0.40 0.00 0.00 41.96 38.68 1ywu s TYR 62 CO 0.02 -0.53 0.18 1.28 -1.57 0.00 0.00 175.55 174.93 1ywu n LEU 63 N 5.11 0.00 0.00 -1.29 7.99 -0.78 -1.91 117.00 126.12 1ywu n LEU 63 Ca -0.12 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.88 1ywu n LEU 63 Cb 0.48 0.23 0.00 0.00 -0.11 0.00 0.00 43.42 44.02 1ywu n LEU 63 CO 0.39 0.23 0.00 0.61 -1.51 0.00 0.00 177.39 177.11 1ywu n GLY 64 N 1.83 0.89 0.09 -0.72 0.00 -0.93 -4.90 105.19 101.45 1ywu n GLY 64 Ca -0.17 -0.82 -0.06 0.00 0.00 0.00 0.00 46.02 44.98 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 0.04 0.02 0.99 3.38 -2.01 -3.29 115.31 114.43 1ywu h LEU 65 Ca 0.00 -0.04 -0.33 0.00 0.09 0.00 0.00 57.88 57.60 1ywu h LEU 65 Cb 0.00 -0.01 -0.05 0.00 0.09 0.00 0.00 40.66 40.68 1ywu h LEU 65 CO 0.00 0.92 -2.02 -0.67 0.09 0.00 0.00 178.44 176.76 1ywu n ASP 66 N -3.51 0.84 -4.39 -0.43 -0.08 -1.26 -4.76 116.55 102.97 1ywu n ASP 66 Ca -0.01 0.22 -0.45 0.00 -1.51 0.00 0.00 54.79 53.04 1ywu n ASP 66 Cb 0.85 0.14 -0.03 0.00 2.34 0.00 0.00 41.12 44.42 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 -2.55 5.08 -0.20 5.18 1.01 -1.24 -4.99 120.40 122.69 1ywu s VAL 67 Ca -0.11 -1.79 -0.01 0.00 0.00 0.00 0.00 61.98 60.07 1ywu s VAL 67 Cb 0.07 -4.60 0.01 0.00 0.00 0.00 0.00 36.38 31.86 1ywu s VAL 67 CO 0.80 -1.24 -0.13 -0.22 0.00 0.00 0.00 175.10 174.31 1ywu s LEU 68 N 1.73 2.50 -0.15 3.92 2.96 -1.26 -1.86 118.68 126.52 1ywu s LEU 68 Ca 0.22 -0.56 -0.06 0.00 -0.22 0.00 0.00 54.13 53.52 1ywu s LEU 68 Cb -0.11 -1.60 -0.04 0.00 0.50 0.00 0.00 46.19 44.95 1ywu s LEU 68 CO -0.06 -0.02 0.04 -0.63 -1.32 0.00 0.00 176.35 174.37 1ywu s ILE 69 N 1.37 4.62 0.01 6.68 1.01 -0.19 -4.78 121.20 129.91 1ywu s ILE 69 Ca 0.05 -0.11 0.05 0.00 0.00 0.00 0.00 60.65 60.64 1ywu s ILE 69 Cb -0.14 -3.04 -0.02 0.00 0.01 0.00 0.00 42.46 39.28 1ywu s ILE 69 CO -0.09 0.51 -0.15 0.00 0.00 0.00 0.00 174.94 175.22 1ywu s ARG 70 N -0.03 1.10 -0.21 2.79 1.70 -1.26 -0.40 118.95 122.63 1ywu s ARG 70 Ca 0.05 -0.61 -0.15 0.00 -0.47 0.00 0.00 55.73 54.55 1ywu s ARG 70 Cb -0.12 -1.08 0.06 0.00 -0.57 0.00 0.00 34.95 33.23 1ywu s ARG 70 CO 0.01 0.29 0.52 0.00 -1.08 0.00 0.00 175.30 175.04 1ywu s MET 71 N -0.63 0.56 -0.11 3.89 0.23 -0.96 -2.64 119.30 119.64 1ywu s MET 71 Ca 0.04 0.86 -0.26 0.00 -1.03 0.00 0.00 55.69 55.30 1ywu s MET 71 Cb -0.06 0.16 -0.02 0.00 -1.53 0.00 0.00 34.83 33.37 1ywu s MET 71 CO 0.00 -0.12 0.85 -1.21 -2.03 0.00 0.00 175.02 172.51 1ywu s GLU 72 N 0.94 4.39 0.03 3.16 0.41 0.52 -2.45 118.70 125.71 1ywu s GLU 72 Ca -0.05 1.11 0.02 0.00 -0.41 0.00 0.00 54.97 55.63 1ywu s GLU 72 Cb -0.06 -3.52 -0.02 0.00 -1.78 0.00 0.00 34.13 28.76 1ywu s GLU 72 CO -0.08 -0.18 -0.07 0.96 -0.49 0.00 0.00 175.26 175.40 1ywu s ILE 73 N 1.61 0.45 -0.09 -1.63 -4.36 -0.77 0.03 121.20 116.43 1ywu s ILE 73 Ca 0.42 -0.89 0.04 0.00 -0.26 0.00 0.00 60.65 59.96 1ywu s ILE 73 Cb -0.18 -0.51 0.00 0.00 1.25 0.00 0.00 42.46 43.03 1ywu s ILE 73 CO 0.17 -0.31 -0.22 -0.94 0.24 0.00 0.00 174.94 173.88 1ywu s SER 74 N -1.28 2.90 -0.12 4.36 1.04 -0.29 -0.40 113.70 119.91 1ywu s SER 74 Ca -0.09 -0.52 -0.29 0.00 0.48 0.00 0.00 55.95 55.53 1ywu s SER 74 Cb -0.08 -1.27 -0.05 0.00 0.10 0.00 0.00 66.02 64.71 1ywu s SER 74 CO 0.00 0.15 1.87 -0.22 0.98 0.00 0.00 173.24 176.02 1ywu s LEU 75 N 0.33 3.99 0.00 2.42 2.96 -1.26 -0.40 118.68 126.72 1ywu s LEU 75 Ca -0.17 2.07 0.01 0.00 -0.22 0.00 0.00 54.13 55.82 1ywu s LEU 75 Cb -0.17 -3.53 -0.00 0.00 0.50 0.00 0.00 46.19 42.99 1ywu s LEU 75 CO 0.08 -1.33 0.23 0.00 -1.32 0.00 0.00 176.35 174.01 1ywu n ALA 76 N 8.82 2.28 -2.76 5.97 0.00 -0.82 -4.83 120.51 129.18 1ywu n ALA 76 Ca 0.22 -0.21 -0.16 0.00 0.00 0.00 0.00 53.44 53.28 1ywu n ALA 76 Cb 0.44 -0.04 -0.13 0.00 0.00 0.00 0.00 19.45 19.72 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 -0.74 0.81 -0.29 0.00 -0.00 0.48 -4.99 118.94 114.21 1ywu s TRP 77 Ca 0.01 -0.33 0.01 0.00 -0.00 0.00 0.00 56.10 55.78 1ywu s TRP 77 Cb 0.01 -0.49 0.19 0.00 -0.00 0.00 0.00 33.47 33.18 1ywu s TRP 77 CO 0.03 -0.02 0.67 0.00 -0.00 0.00 0.00 176.95 177.64 1ywu s ALA 78 N -0.84 -2.60 -0.42 5.86 0.00 -1.26 -1.40 121.76 121.11 1ywu s ALA 78 Ca -0.02 1.37 0.02 0.00 0.00 0.00 0.00 51.96 53.32 1ywu s ALA 78 Cb -0.07 -2.45 0.13 0.00 0.00 0.00 0.00 23.12 20.73 1ywu s ALA 78 CO 0.01 -1.67 0.21 1.03 0.00 0.00 0.00 175.76 175.33 1ywu s ARG 79 N 2.86 1.30 0.98 0.00 1.81 0.47 -5.01 118.95 121.35 1ywu s ARG 79 Ca 0.15 -1.93 0.00 0.00 -1.72 0.00 0.00 55.73 52.23 1ywu s ARG 79 Cb -0.11 -2.47 0.00 0.00 -0.45 0.00 0.00 34.95 31.92 1ywu s ARG 79 CO -0.23 -1.11 0.00 -3.47 -0.68 0.00 0.00 175.30 169.81 1ywu n ASP 80 N 3.74 0.00 0.00 0.23 2.03 -1.26 -0.77 116.55 120.52 1ywu n ASP 80 Ca 0.06 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.37 1ywu n ASP 80 Cb 0.36 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.76 1ywu n ASP 80 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1ywu n GLY 81 N 0.00 0.02 3.56 0.27 0.00 -1.26 -4.97 105.19 102.80 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 -0.95 4.35 -0.16 0.99 2.01 0.05 -2.50 118.68 122.46 1ywu s LEU 82 Ca 0.00 -0.09 -0.04 0.00 0.01 0.00 0.00 54.13 54.01 1ywu s LEU 82 Cb 0.00 -2.42 -0.03 0.00 0.01 0.00 0.00 46.19 43.75 1ywu s LEU 82 CO 0.00 -0.35 -0.03 -0.76 1.01 0.00 0.00 176.35 176.21 1ywu s LEU 83 N 2.13 3.22 -0.16 1.79 1.43 0.41 -0.40 118.68 127.10 1ywu s LEU 83 Ca 0.14 -0.16 -0.01 0.00 -1.03 0.00 0.00 54.13 53.07 1ywu s LEU 83 Cb -0.16 -1.78 -0.01 0.00 0.03 0.00 0.00 46.19 44.27 1ywu s LEU 83 CO 0.12 0.14 -0.12 -0.83 0.23 0.00 0.00 176.35 175.89 1ywu s GLY 84 N 0.52 1.53 -0.01 -3.19 0.00 -0.49 -1.09 107.32 104.59 1ywu s GLY 84 Ca -0.03 -1.01 -0.01 0.00 0.00 0.00 0.00 44.72 43.67 1ywu s GLY 84 CO 0.03 0.04 0.08 -1.36 0.00 0.00 0.00 173.10 171.89 1ywu s PHE 85 N 0.79 3.29 -0.19 1.90 0.08 -0.12 -0.39 117.98 123.34 1ywu s PHE 85 Ca -0.04 0.21 -0.16 0.00 0.12 0.00 0.00 56.93 57.06 1ywu s PHE 85 Cb -0.15 -1.74 -0.04 0.00 -0.57 0.00 0.00 43.02 40.51 1ywu s PHE 85 CO 0.01 0.55 0.39 -2.00 -0.10 0.00 0.00 175.22 174.07 1ywu s GLU 86 N -1.70 4.20 -0.31 0.44 2.12 0.47 -2.12 118.70 121.78 1ywu s GLU 86 Ca 0.22 0.20 -0.29 0.00 0.36 0.00 0.00 54.97 55.47 1ywu s GLU 86 Cb -0.12 -3.52 0.00 0.00 0.26 0.00 0.00 34.13 30.76 1ywu s GLU 86 CO 0.13 0.01 1.34 0.00 -0.54 0.00 0.00 175.26 176.21 1ywu h GLN 88 N 9.66 0.39 -1.87 0.00 4.20 -0.75 -3.46 115.11 123.27 1ywu h GLN 88 Ca -0.27 -0.66 0.09 0.00 0.06 0.00 0.00 58.65 57.87 1ywu h GLN 88 Cb 1.10 0.25 -0.20 0.00 0.30 0.00 0.00 27.48 28.93 1ywu h GLN 88 CO 1.04 1.30 -0.12 -1.58 -0.67 0.00 0.00 178.83 178.81 1ywu s HIS 89 N -2.62 -1.32 -0.16 2.96 5.04 -1.04 -4.99 115.29 113.14 1ywu s HIS 89 Ca -0.08 2.22 -0.07 0.00 -1.54 0.00 0.00 55.06 55.60 1ywu s HIS 89 Cb 0.06 0.77 -0.04 0.00 0.04 0.00 0.00 32.58 33.40 1ywu s HIS 89 CO 0.90 -0.66 0.08 0.42 -2.34 0.00 0.00 174.74 173.14 1ywu s ILE 90 N 2.87 4.97 0.15 0.89 1.01 -1.26 -0.36 121.20 129.48 1ywu s ILE 90 Ca -0.04 0.02 -0.33 0.00 0.00 0.00 0.00 60.65 60.30 1ywu s ILE 90 Cb -0.12 -3.21 -0.13 0.00 0.01 0.00 0.00 42.46 39.01 1ywu s ILE 90 CO -0.19 0.50 1.66 -0.67 0.00 0.00 0.00 174.94 176.25 1ywu n ASP 91 N 3.09 3.46 -0.11 3.58 -0.08 -1.08 -4.84 116.55 120.57 1ywu n ASP 91 Ca -0.17 1.06 0.01 0.00 -1.51 0.00 0.00 54.79 54.18 1ywu n ASP 91 Cb 0.53 -1.48 0.31 0.00 2.34 0.00 0.00 41.12 42.82 1ywu n ASP 91 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 1ywu h LEU 92 N 6.63 0.68 -0.37 -2.67 -0.00 -1.97 0.20 115.31 117.81 1ywu h LEU 92 Ca -0.45 -0.04 -0.13 0.00 -0.00 0.00 0.00 57.88 57.26 1ywu h LEU 92 Cb 1.24 -0.17 -0.01 0.00 -0.00 0.00 0.00 40.66 41.72 1ywu h LEU 92 CO 0.92 0.54 -0.27 -0.78 -0.00 0.00 0.00 178.44 178.84 1ywu h ASP 93 N 0.78 0.88 -0.81 -0.43 3.58 -1.99 -1.65 116.42 116.80 1ywu h ASP 93 Ca 0.20 -0.44 -0.00 0.00 0.42 0.00 0.00 57.03 57.21 1ywu h ASP 93 Cb -0.01 -0.25 -0.04 0.00 1.72 0.00 0.00 39.33 40.76 1ywu h ASP 93 CO -0.04 1.13 0.49 0.28 -2.88 0.00 0.00 179.24 178.23 1ywu h SER 94 N 0.64 0.96 -0.63 2.28 0.02 -1.56 -1.64 113.55 113.63 1ywu h SER 94 Ca 0.07 -0.06 0.03 0.00 -0.84 0.00 0.00 61.79 60.98 1ywu h SER 94 Cb 0.85 -0.24 -0.04 0.00 0.14 0.00 0.00 62.40 63.10 1ywu h SER 94 CO 0.07 0.74 0.39 0.40 -1.14 0.00 0.00 176.83 177.29 1ywu h ILE 95 N 1.10 1.09 -0.26 3.27 2.04 -0.41 0.63 117.51 124.97 1ywu h ILE 95 Ca 0.29 -0.26 0.02 0.00 1.00 0.00 0.00 64.86 65.90 1ywu h ILE 95 Cb -0.05 0.25 -0.02 0.00 -0.74 0.00 0.00 36.82 36.26 1ywu h ILE 95 CO -0.05 0.14 0.13 -1.28 0.00 0.00 0.00 178.15 177.08 1ywu h SER 96 N 0.77 0.19 -0.61 1.72 0.87 -0.75 -1.22 113.55 114.52 1ywu h SER 96 Ca 0.25 0.01 -0.07 0.00 -1.23 0.00 0.00 61.79 60.75 1ywu h SER 96 Cb 0.01 -0.03 -0.03 0.00 -0.44 0.00 0.00 62.40 61.91 1ywu h SER 96 CO -0.10 0.15 0.11 0.45 -0.53 0.00 0.00 176.83 176.91 1ywu h HIS 97 N 0.27 1.08 0.80 2.24 3.86 -0.94 -0.69 115.15 121.76 1ywu h HIS 97 Ca 0.11 -0.14 -0.04 0.00 -1.16 0.00 0.00 60.37 59.14 1ywu h HIS 97 Cb 0.03 -0.30 0.00 0.00 1.06 0.00 0.00 27.41 28.20 1ywu h HIS 97 CO -0.10 0.91 -0.43 1.25 0.86 0.00 0.00 177.93 180.42 1ywu h LEU 98 N 0.96 -1.05 -0.97 2.43 5.85 -0.43 -1.15 115.31 120.95 1ywu h LEU 98 Ca 0.19 0.05 -0.09 0.00 0.84 0.00 0.00 57.88 58.87 1ywu h LEU 98 Cb 0.41 0.29 -0.01 0.00 0.37 0.00 0.00 40.66 41.72 1ywu h LEU 98 CO 0.01 -0.70 -0.23 -0.09 -0.34 0.00 0.00 178.44 177.09 1ywu h ARG 99 N -1.13 0.48 -0.78 1.25 2.43 -1.21 -2.31 114.38 113.11 1ywu h ARG 99 Ca -0.11 -0.17 -0.03 0.00 -0.81 0.00 0.00 59.98 58.86 1ywu h ARG 99 Cb 0.89 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 30.37 1ywu h ARG 99 CO 0.15 0.68 0.37 -0.09 -1.51 0.00 0.00 179.97 179.57 1ywu h ARG 100 N 0.43 1.12 -0.23 0.20 9.65 -1.01 0.15 114.38 124.69 1ywu h ARG 100 Ca 0.07 -0.16 -0.11 0.00 -1.10 0.00 0.00 59.98 58.67 1ywu h ARG 100 Cb 0.64 -0.20 -0.01 0.00 -1.39 0.00 0.00 29.97 29.00 1ywu h ARG 100 CO 0.05 0.86 -0.33 1.25 2.80 0.00 0.00 179.97 184.60 1ywu h LEU 101 N 1.11 0.51 -0.43 3.80 5.85 -0.85 -1.42 115.31 123.88 1ywu h LEU 101 Ca 0.27 -0.20 -0.06 0.00 0.84 0.00 0.00 57.88 58.73 1ywu h LEU 101 Cb 0.12 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 40.99 1ywu h LEU 101 CO -0.03 0.81 0.04 0.58 -0.34 0.00 0.00 178.44 179.50 1ywu h VAL 102 N 0.42 1.25 -0.46 1.05 2.07 -0.76 -2.39 116.25 117.43 1ywu h VAL 102 Ca 0.05 -0.94 0.05 0.00 0.82 0.00 0.00 66.70 66.67 1ywu h VAL 102 Cb 0.78 1.02 -0.05 0.00 -1.52 0.00 0.00 31.29 31.53 1ywu h VAL 102 CO 0.06 0.33 0.19 -0.33 0.02 0.00 0.00 177.57 177.84 1ywu h GLU 103 N 0.58 0.38 -0.47 1.57 4.39 -0.48 -0.25 114.58 120.31 1ywu h GLU 103 Ca 0.13 -0.02 0.02 0.00 0.34 0.00 0.00 59.36 59.83 1ywu h GLU 103 Cb 0.42 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.96 1ywu h GLU 103 CO 0.01 0.25 0.31 -0.07 -1.16 0.00 0.00 179.01 178.35 1ywu h LEU 104 N 0.39 0.48 -1.66 1.33 3.38 -1.07 -1.33 115.31 116.83 1ywu h LEU 104 Ca 0.21 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1ywu h LEU 104 Cb 0.17 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1ywu h LEU 104 CO -0.18 0.34 0.00 0.59 0.09 0.00 0.00 178.44 179.28 1ywu n ASN 105 N -4.47 2.48 -2.80 -0.43 3.02 -0.80 -4.92 115.26 107.33 1ywu n ASN 105 Ca 0.05 -1.86 -0.21 0.00 -0.03 0.00 0.00 54.58 52.53 1ywu n ASN 105 Cb 0.11 -0.18 0.01 0.00 -0.61 0.00 0.00 39.78 39.11 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 0.86 -2.19 -4.58 3.41 7.99 -0.50 -4.90 117.00 117.08 1ywu n LEU 106 Ca 0.17 -0.17 -0.42 0.00 -0.01 0.00 0.00 56.01 55.59 1ywu n LEU 106 Cb 0.45 -2.80 -0.03 0.00 -0.11 0.00 0.00 43.42 40.93 1ywu n LEU 106 CO 0.14 0.05 1.23 -0.83 -1.51 0.00 0.00 177.39 176.47 1ywu s GLY 107 N -2.43 0.95 -0.40 -0.72 0.00 -0.20 -4.93 107.32 99.58 1ywu s GLY 107 Ca 0.19 -0.60 -0.37 0.00 0.00 0.00 0.00 44.72 43.93 1ywu s GLY 107 CO 0.23 2.77 1.39 1.22 0.00 0.00 0.00 173.10 178.71 1ywu n ASP 108 N 9.34 0.88 0.00 1.64 8.00 -1.26 -4.71 116.55 130.44 1ywu n ASP 108 Ca 0.13 0.86 0.08 0.00 0.71 0.00 0.00 54.79 56.56 1ywu n ASP 108 Cb 0.49 -0.71 0.48 0.00 -0.02 0.00 0.00 41.12 41.36 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 3.89 0.62 0.01 -1.24 0.28 -1.26 -2.75 120.64 120.18 1ywu n GLU 109 Ca 0.30 0.00 0.11 0.00 -0.16 0.00 0.00 57.16 57.41 1ywu n GLU 109 Cb -0.04 -1.41 0.54 0.00 1.43 0.00 0.00 31.44 31.96 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 0.29 0.00 3.44 4.39 -1.98 -0.34 114.58 120.37 1ywu h GLU 110 Ca 0.00 -0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.66 1ywu h GLU 110 Cb 0.00 -0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 28.58 1ywu h GLU 110 CO 0.00 0.19 -0.10 -0.07 -1.16 0.00 0.00 179.01 177.87 1ywu h LEU 111 N 0.29 0.00 0.00 1.33 3.38 -1.88 -2.65 115.31 115.78 1ywu h LEU 111 Ca 0.20 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.17 1ywu h LEU 111 Cb 0.42 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.17 1ywu h LEU 111 CO -0.04 0.10 -0.96 -0.07 0.09 0.00 0.00 178.44 177.56 1ywu h LEU 112 N 0.00 0.00 -3.35 1.67 3.38 -1.31 -3.36 115.31 112.34 1ywu h LEU 112 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1ywu h LEU 112 Cb 0.39 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 1ywu h LEU 112 CO 0.01 0.01 0.01 -0.62 0.09 0.00 0.00 178.44 177.94 1ywu n GLU 113 N -2.70 3.39 -0.23 1.13 1.02 -1.00 -3.42 120.64 118.82 1ywu n GLU 113 Ca -0.00 -2.94 0.00 0.00 -0.02 0.00 0.00 57.16 54.20 1ywu n GLU 113 Cb 0.55 -1.96 0.00 0.00 -0.02 0.00 0.00 31.44 30.01 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 -0.25 0.32 -4.32 3.49 1.74 -1.21 -5.08 116.66 111.35 1ywu n ARG 114 Ca 0.24 0.00 -0.27 0.00 -0.77 0.00 0.00 57.85 57.05 1ywu n ARG 114 Cb 0.99 0.00 -0.10 0.00 -1.02 0.00 0.00 32.46 32.33 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 -2.55 1.95 0.41 5.56 -6.30 -1.26 -4.89 118.70 111.62 1ywu s GLU 115 Ca 0.00 -1.34 0.12 0.00 -2.50 0.00 0.00 54.97 51.25 1ywu s GLU 115 Cb 0.00 -2.09 0.96 0.00 0.00 0.00 0.00 34.13 33.00 1ywu s GLU 115 CO 0.00 0.42 1.94 1.25 0.02 0.00 0.00 175.26 178.89 1ywu h LEU 116 N 2.90 0.47 -2.40 2.70 5.85 -1.94 0.41 115.31 123.29 1ywu h LEU 116 Ca -0.46 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.27 1ywu h LEU 116 Cb 1.21 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.16 1ywu h LEU 116 CO 0.53 0.27 0.00 0.00 -0.34 0.00 0.00 178.44 178.90 1ywu h ALA 117 N 1.65 1.00 -0.02 1.25 0.00 -1.98 -0.69 119.26 120.47 1ywu h ALA 117 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.24 1ywu h ALA 117 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1ywu h ALA 117 CO -0.11 0.00 -0.43 1.28 0.00 0.00 0.00 179.25 179.99 1ywu n LEU 118 N -2.91 2.09 -4.39 0.00 4.77 0.14 -4.75 117.00 111.96 1ywu n LEU 118 Ca -0.02 -0.77 -0.45 0.00 -0.03 0.00 0.00 56.01 54.74 1ywu n LEU 118 Cb 0.11 -0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.18 1ywu n LEU 118 CO 0.19 0.38 0.76 -0.76 -1.33 0.00 0.00 177.39 176.64 1ywu s LEU 119 N -2.43 5.92 0.50 2.23 1.02 -0.27 -4.90 118.68 120.75 1ywu s LEU 119 Ca 0.20 -2.56 0.02 0.00 0.02 0.00 0.00 54.13 51.80 1ywu s LEU 119 Cb 0.18 -2.30 0.02 0.00 0.02 0.00 0.00 46.19 44.11 1ywu s LEU 119 CO 0.55 -0.75 0.72 -0.69 0.02 0.00 0.00 176.35 176.20 1ywu s VAL 120 N 1.12 3.16 1.24 -1.59 1.01 -1.26 -4.99 120.40 119.08 1ywu s VAL 120 Ca 0.27 -0.64 -0.15 0.00 0.00 0.00 0.00 61.98 61.46 1ywu s VAL 120 Cb -0.07 -3.17 0.31 0.00 0.00 0.00 0.00 36.38 33.45 1ywu s VAL 120 CO -0.08 -0.11 1.00 -0.94 0.00 0.00 0.00 175.10 174.96 1ywu s SER 121 N -4.35 0.40 0.35 3.32 1.04 -1.26 -4.86 113.70 108.34 1ywu s SER 121 Ca 0.54 1.32 0.13 0.00 0.48 0.00 0.00 55.95 58.42 1ywu s SER 121 Cb -0.10 -2.03 0.97 0.00 0.10 0.00 0.00 66.02 64.96 1ywu s SER 121 CO 0.38 -4.53 1.74 0.00 0.98 0.00 0.00 173.24 171.80 1ywu h ALA 122 N -2.85 1.96 -2.99 5.32 0.00 -1.99 -3.37 119.26 115.34 1ywu h ALA 122 Ca -0.58 0.10 -0.55 0.00 0.00 0.00 0.00 54.91 53.88 1ywu h ALA 122 Cb 1.34 0.03 -0.18 0.00 0.00 0.00 0.00 17.79 18.97 1ywu h ALA 122 CO 0.46 -0.42 -0.79 -3.38 0.00 0.00 0.00 179.25 175.12 1ywu s HIS 123 N -5.67 1.90 -0.14 0.00 -3.43 -1.26 -5.02 115.29 101.67 1ywu s HIS 123 Ca -0.10 -0.45 0.09 0.00 -0.80 0.00 0.00 55.06 53.80 1ywu s HIS 123 Cb 0.27 -0.95 -0.23 0.00 -1.43 0.00 0.00 32.58 30.23 1ywu s HIS 123 CO 0.80 0.36 0.27 -3.47 -2.00 0.00 0.00 174.74 170.69 1ywu n ASP 124 N 0.31 1.04 0.00 7.38 -0.08 -1.26 -5.05 116.55 118.89 1ywu n ASP 124 Ca -0.13 0.15 0.00 0.00 -1.51 0.00 0.00 54.79 53.30 1ywu n ASP 124 Cb 0.57 0.05 0.00 0.00 2.34 0.00 0.00 41.12 44.08 1ywu n ASP 124 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65