#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 -0.74 -3.65 6.12 3.41 -1.26 -5.08 113.62 112.43 1ywu n SER 2 Ca 0.00 -2.47 -0.08 0.00 -0.26 0.00 0.00 58.87 56.06 1ywu n SER 2 Cb 0.00 -0.31 -0.09 0.00 -0.26 0.00 0.00 64.21 63.54 1ywu n SER 2 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1ywu s ASP 3 N -0.02 -0.25 -0.30 4.04 -1.08 -1.26 -5.13 116.67 112.68 1ywu s ASP 3 Ca 0.33 0.97 -0.25 0.00 -0.52 0.00 0.00 52.55 53.08 1ywu s ASP 3 Cb 0.05 1.35 0.00 0.00 -1.46 0.00 0.00 42.92 42.87 1ywu s ASP 3 CO -0.18 -0.23 0.86 -1.10 0.52 0.00 0.00 175.17 175.04 1ywu s GLN 4 N 2.61 4.01 -0.04 4.34 1.11 -1.26 -4.92 119.66 125.52 1ywu s GLN 4 Ca -0.01 0.74 -0.04 0.00 0.01 0.00 0.00 55.36 56.06 1ywu s GLN 4 Cb -0.12 -3.72 -0.01 0.00 -1.01 0.00 0.00 33.01 28.15 1ywu s GLN 4 CO -0.13 -0.71 -0.08 1.58 0.01 0.00 0.00 175.29 175.97 1ywu n HIS 5 N 6.32 0.00 -0.06 0.91 -0.00 -1.26 -4.87 115.22 116.26 1ywu n HIS 5 Ca 0.06 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.24 1ywu n HIS 5 Cb 0.48 -0.11 0.00 0.00 -0.12 0.00 0.00 29.99 30.23 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 -3.00 0.48 -3.75 0.26 2.03 -1.26 -4.86 116.55 106.44 1ywu n ASP 6 Ca -0.03 -0.74 -0.42 0.00 0.52 0.00 0.00 54.79 54.11 1ywu n ASP 6 Cb 0.12 0.41 -0.02 0.00 -0.72 0.00 0.00 41.12 40.91 1ywu n ASP 6 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1ywu n GLU 7 N -0.41 2.36 -2.54 -0.67 4.71 -1.26 -4.88 120.64 117.95 1ywu n GLU 7 Ca 0.00 -2.36 -0.41 0.00 -0.01 0.00 0.00 57.16 54.39 1ywu n GLU 7 Cb 0.02 -3.18 -0.03 0.00 -1.01 0.00 0.00 31.44 27.24 1ywu n GLU 7 CO 0.00 0.00 0.00 0.50 0.09 0.00 0.00 177.13 177.72 1ywu s ARG 8 N 3.95 3.31 0.59 3.49 3.52 -1.26 -4.96 118.95 127.59 1ywu s ARG 8 Ca 0.51 -0.53 -0.18 0.00 -0.13 0.00 0.00 55.73 55.40 1ywu s ARG 8 Cb 0.13 -4.61 -0.03 0.00 -1.56 0.00 0.00 34.95 28.88 1ywu s ARG 8 CO -0.00 -2.20 1.15 1.03 -0.81 0.00 0.00 175.30 174.47 1ywu s ARG 9 N 5.52 3.06 -0.02 5.12 0.52 -1.26 -4.94 118.95 126.95 1ywu s ARG 9 Ca 0.40 1.64 -0.30 0.00 -0.52 0.00 0.00 55.73 56.95 1ywu s ARG 9 Cb -0.05 -1.96 -0.05 0.00 0.52 0.00 0.00 34.95 33.41 1ywu s ARG 9 CO 0.06 -1.09 1.31 1.03 0.02 0.00 0.00 175.30 176.63 1ywu s ARG 10 N -3.49 4.32 -0.01 3.54 1.81 -1.26 -4.89 118.95 118.97 1ywu s ARG 10 Ca 0.73 1.83 0.01 0.00 -1.72 0.00 0.00 55.73 56.59 1ywu s ARG 10 Cb -0.25 -3.55 0.05 0.00 -0.45 0.00 0.00 34.95 30.74 1ywu s ARG 10 CO 0.33 -0.51 0.88 1.97 -0.68 0.00 0.00 175.30 177.28 1ywu n PHE 11 N 5.23 0.10 -2.43 -0.53 -1.74 -1.26 -4.58 117.46 112.25 1ywu n PHE 11 Ca 0.12 -0.04 -0.38 0.00 -0.56 0.00 0.00 57.45 56.59 1ywu n PHE 11 Cb 0.45 -0.05 -0.02 0.00 1.52 0.00 0.00 39.48 41.38 1ywu n PHE 11 CO 0.00 0.00 0.00 -1.58 -0.56 0.00 0.00 176.76 174.62 1ywu s HIS 12 N -1.64 2.47 0.06 2.97 2.46 -1.26 -4.91 115.29 115.43 1ywu s HIS 12 Ca 0.04 -0.81 0.01 0.00 0.47 0.00 0.00 55.06 54.76 1ywu s HIS 12 Cb 0.02 -4.53 0.01 0.00 -0.13 0.00 0.00 32.58 27.94 1ywu s HIS 12 CO 0.02 -1.73 0.05 -2.13 -2.47 0.00 0.00 174.74 168.48 1ywu n ARG 13 N 8.55 1.37 -2.49 2.88 0.63 -1.26 -5.01 116.66 121.33 1ywu n ARG 13 Ca 0.43 -0.37 -0.39 0.00 -0.92 0.00 0.00 57.85 56.60 1ywu n ARG 13 Cb 0.48 0.04 -0.03 0.00 0.45 0.00 0.00 32.46 33.39 1ywu n ARG 13 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 1ywu s ILE 14 N -0.22 3.87 -0.37 5.15 -1.09 -1.26 -4.79 121.20 122.49 1ywu s ILE 14 Ca 0.04 -0.77 0.06 0.00 -2.23 0.00 0.00 60.65 57.74 1ywu s ILE 14 Cb -0.00 -4.93 0.18 0.00 -1.58 0.00 0.00 42.46 36.13 1ywu s ILE 14 CO 0.02 -1.81 0.54 0.00 -1.23 0.00 0.00 174.94 172.47 1ywu s ALA 15 N 5.66 -1.83 0.28 9.38 0.00 -1.26 -3.56 121.76 130.42 1ywu s ALA 15 Ca 0.50 0.12 -0.06 0.00 0.00 0.00 0.00 51.96 52.51 1ywu s ALA 15 Cb -0.01 -2.48 -0.06 0.00 0.00 0.00 0.00 23.12 20.58 1ywu s ALA 15 CO -0.08 -2.08 0.56 -0.06 0.00 0.00 0.00 175.76 174.11 1ywu s PHE 16 N 2.02 3.47 -1.27 0.00 0.08 -1.26 -4.98 117.98 116.04 1ywu s PHE 16 Ca 0.14 0.71 -0.19 0.00 0.12 0.00 0.00 56.93 57.71 1ywu s PHE 16 Cb -0.08 -2.15 0.02 0.00 -0.57 0.00 0.00 43.02 40.23 1ywu s PHE 16 CO -0.13 0.18 1.84 -3.47 -0.10 0.00 0.00 175.22 173.54 1ywu n ASP 17 N -0.78 4.33 -4.17 1.36 -0.08 -1.26 -4.90 116.55 111.05 1ywu n ASP 17 Ca -0.01 -2.85 -0.26 0.00 -1.51 0.00 0.00 54.79 50.16 1ywu n ASP 17 Cb 0.54 -1.72 -0.16 0.00 2.34 0.00 0.00 41.12 42.12 1ywu n ASP 17 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1ywu s ALA 18 N 5.76 1.54 -0.07 -1.67 0.00 -1.26 -4.98 121.76 121.08 1ywu s ALA 18 Ca 0.57 -0.76 -0.29 0.00 0.00 0.00 0.00 51.96 51.47 1ywu s ALA 18 Cb 0.04 -0.44 -0.06 0.00 0.00 0.00 0.00 23.12 22.66 1ywu s ALA 18 CO 0.08 0.34 1.87 -0.51 0.00 0.00 0.00 175.76 177.53 1ywu s ASP 19 N -0.25 6.35 -0.26 0.00 1.11 -1.18 -4.80 116.67 117.64 1ywu s ASP 19 Ca 0.03 2.28 -0.01 0.00 0.18 0.00 0.00 52.55 55.02 1ywu s ASP 19 Cb -0.09 -2.53 0.04 0.00 1.07 0.00 0.00 42.92 41.41 1ywu s ASP 19 CO 0.00 -1.18 -0.05 -0.44 1.18 0.00 0.00 175.17 174.68 1ywu s SER 20 N 4.68 4.50 -0.15 0.27 0.01 -1.26 -1.31 113.70 120.43 1ywu s SER 20 Ca 0.83 -1.03 0.01 0.00 1.31 0.00 0.00 55.95 57.07 1ywu s SER 20 Cb -0.36 -1.67 0.00 0.00 0.21 0.00 0.00 66.02 64.20 1ywu s SER 20 CO 0.35 -0.17 -0.18 -1.61 0.41 0.00 0.00 173.24 172.04 1ywu s GLU 21 N 1.29 3.14 -0.29 12.44 2.02 -0.77 -0.55 118.70 135.98 1ywu s GLU 21 Ca -0.02 -0.79 -0.14 0.00 0.02 0.00 0.00 54.97 54.04 1ywu s GLU 21 Cb -0.18 -2.56 -0.03 0.00 0.10 0.00 0.00 34.13 31.46 1ywu s GLU 21 CO -0.03 -0.01 0.33 0.42 0.02 0.00 0.00 175.26 175.99 1ywu s ILE 22 N 0.84 5.20 0.14 -1.63 1.01 0.46 -0.38 121.20 126.84 1ywu s ILE 22 Ca -0.05 0.37 0.05 0.00 0.00 0.00 0.00 60.65 61.01 1ywu s ILE 22 Cb -0.15 -3.69 -0.04 0.00 0.01 0.00 0.00 42.46 38.59 1ywu s ILE 22 CO -0.01 0.12 0.08 -0.76 0.00 0.00 0.00 174.94 174.37 1ywu s LEU 23 N 1.99 3.68 -0.39 2.97 1.43 0.32 -0.37 118.68 128.32 1ywu s LEU 23 Ca 0.13 -0.15 0.04 0.00 -1.03 0.00 0.00 54.13 53.12 1ywu s LEU 23 Cb -0.16 -2.33 0.16 0.00 0.03 0.00 0.00 46.19 43.89 1ywu s LEU 23 CO 0.11 0.11 0.43 -1.58 0.23 0.00 0.00 176.35 175.64 1ywu s GLN 24 N -2.80 0.70 0.76 1.70 0.74 -0.47 -0.44 119.66 119.85 1ywu s GLN 24 Ca 0.29 -0.86 0.00 0.00 0.05 0.00 0.00 55.36 54.84 1ywu s GLN 24 Cb -0.11 -0.62 0.00 0.00 1.10 0.00 0.00 33.01 33.39 1ywu s GLN 24 CO 0.22 -1.21 0.00 0.41 -0.55 0.00 0.00 175.29 174.15 1ywu n GLY 25 N 4.13 1.46 0.03 2.59 0.00 -1.26 -2.36 105.19 109.78 1ywu n GLY 25 Ca 0.13 0.33 -0.02 0.00 0.00 0.00 0.00 46.02 46.45 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 2.08 -3.12 1.61 1.02 -1.26 -5.03 120.64 115.94 1ywu n GLU 26 Ca 0.00 -0.02 -0.39 0.00 -0.02 0.00 0.00 57.16 56.73 1ywu n GLU 26 Cb 0.00 -1.21 -0.06 0.00 -0.02 0.00 0.00 31.44 30.15 1ywu n GLU 26 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1ywu s ARG 27 N -2.30 4.38 -0.23 3.49 0.52 -0.99 -5.05 118.95 118.78 1ywu s ARG 27 Ca -0.04 0.92 0.01 0.00 -0.52 0.00 0.00 55.73 56.10 1ywu s ARG 27 Cb 0.03 -3.29 0.06 0.00 0.52 0.00 0.00 34.95 32.27 1ywu s ARG 27 CO 0.34 0.51 -0.07 1.03 0.02 0.00 0.00 175.30 177.13 1ywu s ARG 28 N -0.78 1.74 -0.47 3.54 0.52 -1.26 -1.36 118.95 120.88 1ywu s ARG 28 Ca 0.33 -0.96 -0.16 0.00 -0.52 0.00 0.00 55.73 54.42 1ywu s ARG 28 Cb -0.21 -2.54 0.06 0.00 0.52 0.00 0.00 34.95 32.78 1ywu s ARG 28 CO 0.22 -0.55 0.44 -1.58 0.02 0.00 0.00 175.30 173.85 1ywu s TRP 29 N 1.39 3.20 -0.36 -0.53 0.51 0.50 -4.93 118.94 118.72 1ywu s TRP 29 Ca -0.05 -0.77 -0.29 0.00 -2.12 0.00 0.00 56.10 52.87 1ywu s TRP 29 Cb -0.18 -3.18 -0.00 0.00 -0.81 0.00 0.00 33.47 29.29 1ywu s TRP 29 CO -0.07 -0.82 1.56 -2.00 -0.51 0.00 0.00 176.95 175.11 1ywu s GLU 30 N 1.90 3.53 0.14 4.98 2.12 -1.26 -0.40 118.70 129.71 1ywu s GLU 30 Ca 0.07 1.20 0.08 0.00 0.36 0.00 0.00 54.97 56.68 1ywu s GLU 30 Cb -0.22 -4.08 -0.04 0.00 0.26 0.00 0.00 34.13 30.05 1ywu s GLU 30 CO 0.09 -1.61 -0.18 0.54 -0.54 0.00 0.00 175.26 173.55 1ywu s VAL 31 N 5.86 1.67 0.02 3.70 0.11 0.28 -4.89 120.40 127.16 1ywu s VAL 31 Ca 0.69 -1.78 -0.17 0.00 -2.93 0.00 0.00 61.98 57.79 1ywu s VAL 31 Cb -0.18 -1.69 -0.06 0.00 -1.53 0.00 0.00 36.38 32.92 1ywu s VAL 31 CO 0.32 -0.28 0.48 -1.48 -3.33 0.00 0.00 175.10 170.81 1ywu s LEU 32 N -2.43 4.49 0.29 2.54 0.05 -1.26 -4.01 118.68 118.35 1ywu s LEU 32 Ca 0.12 1.08 -0.27 0.00 0.05 0.00 0.00 54.13 55.11 1ywu s LEU 32 Cb -0.07 -2.72 -0.10 0.00 -2.05 0.00 0.00 46.19 41.26 1ywu s LEU 32 CO 0.05 0.29 0.93 -0.22 -0.55 0.00 0.00 176.35 176.85 1ywu s LEU 33 N -0.99 4.43 -0.05 1.48 2.96 -1.26 -3.13 118.68 122.12 1ywu s LEU 33 Ca 0.26 1.85 0.01 0.00 -0.22 0.00 0.00 54.13 56.02 1ywu s LEU 33 Cb -0.18 -3.87 -0.04 0.00 0.50 0.00 0.00 46.19 42.60 1ywu s LEU 33 CO 0.16 0.00 -0.04 1.41 -1.32 0.00 0.00 176.35 176.56 1ywu n HIS 34 N 0.84 0.00 -3.61 5.38 8.25 -0.26 -4.93 115.22 120.89 1ywu n HIS 34 Ca 0.01 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.45 1ywu n HIS 34 Cb 0.49 -0.20 -0.01 0.00 1.12 0.00 0.00 29.99 31.39 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 -4.39 -0.09 -0.13 0.41 -1.08 -0.75 -4.60 116.67 106.03 1ywu s ASP 35 Ca -0.06 -0.08 -0.29 0.00 -0.52 0.00 0.00 52.55 51.60 1ywu s ASP 35 Cb 0.02 0.15 0.08 0.00 -1.46 0.00 0.00 42.92 41.72 1ywu s ASP 35 CO 0.12 -0.27 0.77 0.54 0.52 0.00 0.00 175.17 176.85 1ywu s VAL 36 N -2.42 0.00 0.00 1.11 0.11 -1.23 -0.41 120.40 117.56 1ywu s VAL 36 Ca 0.12 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.17 1ywu s VAL 36 Cb 0.02 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.87 1ywu s VAL 36 CO -0.04 0.00 0.00 -1.54 -3.33 0.00 0.00 175.10 170.19 1ywu n SER 37 N 1.36 0.00 -0.68 3.54 3.41 0.28 -4.79 113.62 116.75 1ywu n SER 37 Ca -0.16 -0.80 0.04 0.00 -0.26 0.00 0.00 58.87 57.69 1ywu n SER 37 Cb 0.57 0.00 0.14 0.00 -0.26 0.00 0.00 64.21 64.65 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 1.91 -0.00 1.04 7.94 -0.75 -3.01 117.00 124.14 1ywu n LEU 38 Ca 0.00 -0.96 0.05 0.00 -1.11 0.00 0.00 56.01 53.99 1ywu n LEU 38 Cb 0.00 -0.30 -0.06 0.00 0.53 0.00 0.00 43.42 43.59 1ywu n LEU 38 CO 0.00 0.39 -0.22 1.41 -1.11 0.00 0.00 177.39 177.87 1ywu n HIS 39 N 0.32 0.00 -0.85 1.96 8.25 -1.26 -4.86 115.22 118.77 1ywu n HIS 39 Ca 0.10 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.56 1ywu n HIS 39 Cb 0.35 -0.08 0.00 0.00 1.12 0.00 0.00 29.99 31.38 1ywu n HIS 39 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ywu n GLY 40 N 1.45 0.59 2.98 -1.41 0.00 -1.16 -2.15 105.19 105.49 1ywu n GLY 40 Ca 0.01 -1.65 -0.10 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 -3.14 0.09 -0.16 -0.61 2.07 -0.26 -0.56 121.20 118.63 1ywu s ILE 41 Ca 0.00 -0.73 0.01 0.00 -1.41 0.00 0.00 60.65 58.52 1ywu s ILE 41 Cb 0.00 -0.25 0.02 0.00 0.13 0.00 0.00 42.46 42.36 1ywu s ILE 41 CO 0.00 -0.40 -0.19 -0.22 -1.91 0.00 0.00 174.94 172.22 1ywu s LEU 42 N -1.21 2.01 0.00 8.50 2.96 0.46 -0.80 118.68 130.59 1ywu s LEU 42 Ca -0.13 -0.59 0.03 0.00 -0.22 0.00 0.00 54.13 53.22 1ywu s LEU 42 Cb -0.08 -1.39 -0.01 0.00 0.50 0.00 0.00 46.19 45.21 1ywu s LEU 42 CO -0.00 0.01 0.13 1.33 -1.32 0.00 0.00 176.35 176.49 1ywu n VAL 43 N 4.50 0.00 -3.62 1.68 0.24 -0.51 -1.10 118.33 119.52 1ywu n VAL 43 Ca -0.20 -1.81 -0.22 0.00 -2.04 0.00 0.00 64.34 60.07 1ywu n VAL 43 Cb 0.50 0.69 -0.03 0.00 -1.47 0.00 0.00 33.84 33.54 1ywu n VAL 43 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1ywu s GLY 44 N -2.88 2.17 -0.59 7.63 0.00 -1.18 -0.45 107.32 112.00 1ywu s GLY 44 Ca 0.18 -1.86 -0.03 0.00 0.00 0.00 0.00 44.72 43.01 1ywu s GLY 44 CO 0.13 -1.74 0.41 1.62 0.00 0.00 0.00 173.10 173.52 1ywu s GLN 45 N -4.14 2.51 -0.02 2.90 0.74 -0.76 -4.74 119.66 116.15 1ywu s GLN 45 Ca 0.47 -2.40 -0.01 0.00 0.05 0.00 0.00 55.36 53.47 1ywu s GLN 45 Cb -0.03 -3.74 -0.00 0.00 1.10 0.00 0.00 33.01 30.34 1ywu s GLN 45 CO 0.27 -1.16 -0.02 -1.00 -0.55 0.00 0.00 175.29 172.83 1ywu h PRO 46 N 7.26 0.00 0.00 1.67 0.14 -1.93 -3.49 132.00 135.65 1ywu h PRO 46 Ca -0.04 0.00 0.00 0.00 0.14 0.00 0.00 66.00 66.10 1ywu h PRO 46 Cb 0.97 0.00 0.00 0.00 0.14 0.00 0.00 31.00 32.11 1ywu h PRO 46 CO 0.72 0.00 0.00 1.04 0.14 0.00 0.00 178.00 179.90 1ywu n GLN 47 N -2.56 0.52 -1.92 0.86 3.00 -1.26 -4.97 117.38 111.04 1ywu n GLN 47 Ca -0.01 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.56 1ywu n GLN 47 Cb 0.03 0.00 -0.03 0.00 0.00 0.00 0.00 30.24 30.24 1ywu n GLN 47 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.06 177.22 1ywu s ASP 48 N -1.00 6.59 -0.01 1.08 -4.77 -1.26 -4.99 116.67 112.31 1ywu s ASP 48 Ca 0.00 2.52 0.02 0.00 -3.30 0.00 0.00 52.55 51.79 1ywu s ASP 48 Cb 0.00 -2.57 0.00 0.00 -1.09 0.00 0.00 42.92 39.26 1ywu s ASP 48 CO 0.00 -0.87 -0.05 0.86 0.70 0.00 0.00 175.17 175.80 1ywu s TRP 49 N 2.29 0.54 0.05 2.11 -0.11 -1.26 -5.06 118.94 117.49 1ywu s TRP 49 Ca 0.73 -0.11 -0.31 0.00 1.22 0.00 0.00 56.10 57.64 1ywu s TRP 49 Cb -0.41 -0.39 -0.18 0.00 -1.50 0.00 0.00 33.47 30.99 1ywu s TRP 49 CO 0.32 -0.05 1.44 -0.91 -4.62 0.00 0.00 176.95 173.14 1ywu h ASN 50 N 6.27 -0.75 0.00 5.86 4.21 -2.05 -3.47 115.58 125.66 1ywu h ASN 50 Ca -0.31 -0.01 0.00 0.00 1.21 0.00 0.00 56.30 57.19 1ywu h ASN 50 Cb 1.18 0.19 0.00 0.00 -1.12 0.00 0.00 38.32 38.57 1ywu h ASN 50 CO 0.50 -0.46 0.00 0.61 -1.29 0.00 0.00 177.43 176.79 1ywu n GLY 51 N -1.12 0.61 3.25 2.83 0.00 -1.26 -5.05 105.19 104.44 1ywu n GLY 51 Ca -0.13 -0.79 -0.35 0.00 0.00 0.00 0.00 46.02 44.76 1ywu n GLY 51 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ywu s ASP 52 N -2.82 4.36 0.00 1.61 3.68 -1.26 -4.98 116.67 117.26 1ywu s ASP 52 Ca 0.00 -0.71 0.13 0.00 2.13 0.00 0.00 52.55 54.10 1ywu s ASP 52 Cb 0.00 -1.71 0.63 0.00 -1.45 0.00 0.00 42.92 40.40 1ywu s ASP 52 CO 0.00 -0.10 1.33 -0.81 0.13 0.00 0.00 175.17 175.72 1ywu n PRO 53 N 4.73 0.16 0.03 4.34 -0.04 -1.26 -1.23 135.00 141.73 1ywu n PRO 53 Ca -0.17 0.18 0.13 0.00 -0.04 0.00 0.00 63.50 63.60 1ywu n PRO 53 Cb 0.48 -1.50 0.52 0.00 -0.04 0.00 0.00 33.50 32.96 1ywu n PRO 53 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 1ywu n GLN 54 N -1.31 0.08 -3.20 0.54 -0.06 -1.26 -4.53 117.38 107.64 1ywu n GLN 54 Ca 0.06 0.11 -0.42 0.00 -2.00 0.00 0.00 57.00 54.75 1ywu n GLN 54 Cb 0.11 -1.60 -0.07 0.00 -4.06 0.00 0.00 30.24 24.61 1ywu n GLN 54 CO 0.00 0.00 0.00 1.03 -0.20 0.00 0.00 177.06 177.89 1ywu s ARG 55 N -3.04 3.49 0.29 3.69 1.81 -0.37 -5.05 118.95 119.77 1ywu s ARG 55 Ca 0.12 -0.25 -0.29 0.00 -1.72 0.00 0.00 55.73 53.59 1ywu s ARG 55 Cb 0.16 -3.86 -0.10 0.00 -0.45 0.00 0.00 34.95 30.69 1ywu s ARG 55 CO 0.51 -0.77 1.39 -2.14 -0.68 0.00 0.00 175.30 173.61 1ywu s PRO 56 N 2.51 4.29 0.22 3.54 0.02 -1.26 -4.09 135.00 140.23 1ywu s PRO 56 Ca 0.20 2.29 0.07 0.00 0.02 0.00 0.00 61.00 63.57 1ywu s PRO 56 Cb -0.15 -3.08 -0.05 0.00 0.02 0.00 0.00 34.50 31.24 1ywu s PRO 56 CO 0.15 -0.34 -0.11 -0.06 -0.33 0.00 0.00 177.00 176.31 1ywu s PHE 57 N -0.55 1.75 0.11 6.54 0.40 -0.27 -4.85 117.98 121.11 1ywu s PHE 57 Ca 0.55 -0.63 0.10 0.00 -0.60 0.00 0.00 56.93 56.34 1ywu s PHE 57 Cb -0.41 -0.88 -0.04 0.00 0.51 0.00 0.00 43.02 42.20 1ywu s PHE 57 CO 0.49 0.30 -0.26 -1.21 0.70 0.00 0.00 175.22 175.24 1ywu s GLU 58 N -3.68 1.45 -0.12 0.44 2.02 0.42 -0.41 118.70 118.82 1ywu s GLU 58 Ca 0.25 -1.27 0.01 0.00 0.02 0.00 0.00 54.97 53.98 1ywu s GLU 58 Cb 0.01 -1.85 0.02 0.00 0.10 0.00 0.00 34.13 32.41 1ywu s GLU 58 CO 0.08 0.45 -0.15 0.00 0.02 0.00 0.00 175.26 175.66 1ywu s ALA 59 N -1.01 1.74 -0.26 5.21 0.00 -0.61 -0.52 121.76 126.31 1ywu s ALA 59 Ca 0.13 -0.78 -0.08 0.00 0.00 0.00 0.00 51.96 51.23 1ywu s ALA 59 Cb -0.10 -0.88 -0.03 0.00 0.00 0.00 0.00 23.12 22.11 1ywu s ALA 59 CO 0.05 -0.14 0.09 1.03 0.00 0.00 0.00 175.76 176.79 1ywu s ARG 60 N 1.09 3.64 -0.32 0.00 0.52 0.48 -2.23 118.95 122.13 1ywu s ARG 60 Ca -0.04 -0.50 -0.03 0.00 -0.52 0.00 0.00 55.73 54.64 1ywu s ARG 60 Cb -0.14 -3.39 0.05 0.00 0.52 0.00 0.00 34.95 31.99 1ywu s ARG 60 CO -0.03 -0.22 0.04 -0.51 0.02 0.00 0.00 175.30 174.60 1ywu s LEU 61 N 1.63 4.09 -0.45 2.53 1.43 -0.08 -1.84 118.68 125.99 1ywu s LEU 61 Ca 0.06 -1.27 -0.20 0.00 -1.03 0.00 0.00 54.13 51.69 1ywu s LEU 61 Cb -0.15 -1.76 0.03 0.00 0.03 0.00 0.00 46.19 44.33 1ywu s LEU 61 CO 0.05 -0.29 0.64 -0.31 0.23 0.00 0.00 176.35 176.66 1ywu s TYR 62 N 1.29 3.06 -1.16 0.29 2.02 -0.43 -0.43 117.35 121.99 1ywu s TYR 62 Ca -0.04 -0.15 0.16 0.00 -0.37 0.00 0.00 57.07 56.67 1ywu s TYR 62 Cb -0.20 -3.37 -0.07 0.00 -0.40 0.00 0.00 41.96 37.92 1ywu s TYR 62 CO -0.00 -0.90 0.77 1.28 -1.57 0.00 0.00 175.55 175.13 1ywu n LEU 63 N 6.25 1.25 0.00 -1.29 7.99 -0.00 -3.09 117.00 128.10 1ywu n LEU 63 Ca -0.03 -0.65 0.00 0.00 -0.01 0.00 0.00 56.01 55.32 1ywu n LEU 63 Cb 0.47 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.78 1ywu n LEU 63 CO 0.54 0.26 0.00 0.61 -1.51 0.00 0.00 177.39 177.28 1ywu n GLY 64 N 1.24 0.90 0.07 -0.72 0.00 -0.71 -4.87 105.19 101.10 1ywu n GLY 64 Ca 0.05 -0.55 -0.14 0.00 0.00 0.00 0.00 46.02 45.38 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 0.00 0.00 0.99 4.07 -2.01 -3.38 115.31 114.98 1ywu h LEU 65 Ca 0.00 -0.83 0.00 0.00 0.08 0.00 0.00 57.88 57.13 1ywu h LEU 65 Cb 0.00 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.74 1ywu h LEU 65 CO 0.00 1.04 -1.11 -0.90 -1.08 0.00 0.00 178.44 176.39 1ywu n ASP 66 N -4.59 0.83 -4.45 -0.43 5.68 -1.26 -4.72 116.55 107.61 1ywu n ASP 66 Ca -0.13 -0.81 -0.44 0.00 -0.50 0.00 0.00 54.79 52.91 1ywu n ASP 66 Cb 0.48 1.16 -0.01 0.00 -1.14 0.00 0.00 41.12 41.60 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 -2.98 4.95 -0.04 2.12 1.01 -1.26 -4.97 120.40 119.23 1ywu s VAL 67 Ca 0.05 -2.23 0.06 0.00 0.00 0.00 0.00 61.98 59.85 1ywu s VAL 67 Cb 0.15 -4.84 -0.01 0.00 0.00 0.00 0.00 36.38 31.67 1ywu s VAL 67 CO 0.83 -1.55 -0.21 -0.22 0.00 0.00 0.00 175.10 173.94 1ywu s LEU 68 N 1.92 2.01 -0.31 3.92 0.20 -1.26 -0.82 118.68 124.34 1ywu s LEU 68 Ca 0.38 -0.42 -0.07 0.00 0.69 0.00 0.00 54.13 54.71 1ywu s LEU 68 Cb -0.04 -1.15 0.01 0.00 -0.43 0.00 0.00 46.19 44.59 1ywu s LEU 68 CO -0.04 0.22 0.10 -0.63 -0.29 0.00 0.00 176.35 175.71 1ywu s ILE 69 N -0.23 4.05 -0.28 6.68 1.01 0.43 -4.45 121.20 128.41 1ywu s ILE 69 Ca 0.01 -0.74 -0.05 0.00 0.00 0.00 0.00 60.65 59.86 1ywu s ILE 69 Cb -0.11 -3.13 0.01 0.00 0.01 0.00 0.00 42.46 39.25 1ywu s ILE 69 CO 0.02 0.02 0.04 -0.60 0.00 0.00 0.00 174.94 174.41 1ywu s ARG 70 N 1.50 3.02 -0.10 2.79 3.52 -1.26 -0.90 118.95 127.53 1ywu s ARG 70 Ca 0.02 -0.89 -0.03 0.00 -0.13 0.00 0.00 55.73 54.71 1ywu s ARG 70 Cb -0.18 -3.27 0.04 0.00 -1.56 0.00 0.00 34.95 29.99 1ywu s ARG 70 CO 0.03 -0.43 0.05 0.00 -0.81 0.00 0.00 175.30 174.14 1ywu s MET 71 N 1.45 0.25 0.20 5.12 0.23 -0.95 -2.69 119.30 122.91 1ywu s MET 71 Ca 0.02 0.10 -0.30 0.00 -1.03 0.00 0.00 55.69 54.48 1ywu s MET 71 Cb -0.17 -1.13 -0.08 0.00 -1.53 0.00 0.00 34.83 31.92 1ywu s MET 71 CO 0.01 -0.43 1.26 -1.21 -2.03 0.00 0.00 175.02 172.61 1ywu s GLU 72 N 2.06 4.44 0.08 3.16 8.01 0.42 -1.57 118.70 135.30 1ywu s GLU 72 Ca 0.04 1.97 0.05 0.00 0.01 0.00 0.00 54.97 57.05 1ywu s GLU 72 Cb -0.14 -3.21 -0.03 0.00 -4.31 0.00 0.00 34.13 26.44 1ywu s GLU 72 CO -0.06 -0.17 -0.15 0.96 0.01 0.00 0.00 175.26 175.86 1ywu s ILE 73 N -0.02 1.19 -0.22 -1.63 -4.36 0.46 -0.78 121.20 115.83 1ywu s ILE 73 Ca 0.54 -1.38 -0.06 0.00 -0.26 0.00 0.00 60.65 59.50 1ywu s ILE 73 Cb -0.35 -1.17 -0.02 0.00 1.25 0.00 0.00 42.46 42.17 1ywu s ILE 73 CO 0.38 -0.24 0.02 -0.44 0.24 0.00 0.00 174.94 174.90 1ywu s SER 74 N -1.85 4.84 -0.22 4.36 0.01 0.21 -1.12 113.70 119.94 1ywu s SER 74 Ca 0.00 -0.23 -0.28 0.00 1.31 0.00 0.00 55.95 56.75 1ywu s SER 74 Cb -0.09 -1.84 -0.05 0.00 0.21 0.00 0.00 66.02 64.25 1ywu s SER 74 CO 0.02 0.02 2.17 -0.22 0.41 0.00 0.00 173.24 175.64 1ywu s LEU 75 N 1.27 3.49 -0.15 2.44 2.96 -1.26 -0.37 118.68 127.06 1ywu s LEU 75 Ca 0.04 1.86 -0.14 0.00 -0.22 0.00 0.00 54.13 55.67 1ywu s LEU 75 Cb -0.15 -3.51 -0.23 0.00 0.50 0.00 0.00 46.19 42.80 1ywu s LEU 75 CO 0.01 -1.90 0.34 0.00 -1.32 0.00 0.00 176.35 173.48 1ywu h ALA 76 N 14.67 0.32 -2.74 5.97 0.00 -1.24 -3.41 119.26 132.83 1ywu h ALA 76 Ca -0.41 -1.27 -0.04 0.00 0.00 0.00 0.00 54.91 53.19 1ywu h ALA 76 Cb 1.23 0.68 -0.14 0.00 0.00 0.00 0.00 17.79 19.57 1ywu h ALA 76 CO 0.97 0.98 0.05 1.67 0.00 0.00 0.00 179.25 182.92 1ywu s TRP 77 N -2.46 -0.38 -0.23 0.00 1.48 -0.77 -4.99 118.94 111.59 1ywu s TRP 77 Ca -0.25 0.23 -0.04 0.00 -1.06 0.00 0.00 56.10 54.98 1ywu s TRP 77 Cb 0.06 0.38 0.08 0.00 -1.16 0.00 0.00 33.47 32.83 1ywu s TRP 77 CO 0.70 -0.73 0.11 0.00 -4.06 0.00 0.00 176.95 172.96 1ywu s ALA 78 N -3.32 0.55 -0.31 2.67 0.00 -1.26 -0.61 121.76 119.47 1ywu s ALA 78 Ca -0.00 -0.68 0.01 0.00 0.00 0.00 0.00 51.96 51.29 1ywu s ALA 78 Cb 0.00 -1.20 0.08 0.00 0.00 0.00 0.00 23.12 22.00 1ywu s ALA 78 CO -0.09 -1.39 0.01 1.03 0.00 0.00 0.00 175.76 175.32 1ywu s ARG 79 N 2.10 2.01 1.59 0.00 0.52 0.00 -4.95 118.95 120.24 1ywu s ARG 79 Ca 0.05 -1.56 0.00 0.00 -0.52 0.00 0.00 55.73 53.70 1ywu s ARG 79 Cb -0.16 -3.15 0.00 0.00 0.52 0.00 0.00 34.95 32.16 1ywu s ARG 79 CO -0.22 -0.77 0.00 -3.47 0.02 0.00 0.00 175.30 170.87 1ywu n ASP 80 N 4.44 0.00 0.00 0.23 4.64 -1.26 -1.02 116.55 123.58 1ywu n ASP 80 Ca -0.07 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.34 1ywu n ASP 80 Cb 0.42 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.50 1ywu n ASP 80 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1ywu n GLY 81 N 0.00 0.72 3.47 0.27 0.00 -1.26 -4.94 105.19 103.45 1ywu n GLY 81 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.50 3.46 -0.32 0.99 1.43 -0.19 -1.82 118.68 121.72 1ywu s LEU 82 Ca 0.00 -0.17 -0.10 0.00 -1.03 0.00 0.00 54.13 52.83 1ywu s LEU 82 Cb 0.00 -1.91 -0.00 0.00 0.03 0.00 0.00 46.19 44.31 1ywu s LEU 82 CO 0.00 0.01 0.16 -0.76 0.23 0.00 0.00 176.35 175.99 1ywu s LEU 83 N 1.35 4.22 -0.23 1.79 1.43 0.40 -0.82 118.68 126.82 1ywu s LEU 83 Ca 0.05 -0.58 -0.06 0.00 -1.03 0.00 0.00 54.13 52.50 1ywu s LEU 83 Cb -0.15 -2.01 -0.03 0.00 0.03 0.00 0.00 46.19 44.03 1ywu s LEU 83 CO 0.03 -0.22 0.04 -0.83 0.23 0.00 0.00 176.35 175.60 1ywu s GLY 84 N 1.61 1.75 0.04 -3.19 0.00 0.22 -1.42 107.32 106.34 1ywu s GLY 84 Ca 0.04 -1.07 0.07 0.00 0.00 0.00 0.00 44.72 43.76 1ywu s GLY 84 CO 0.07 0.42 -0.17 -1.36 0.00 0.00 0.00 173.10 172.06 1ywu s PHE 85 N 1.36 2.60 -0.06 1.90 0.40 0.02 -0.70 117.98 123.49 1ywu s PHE 85 Ca 0.05 -0.23 -0.12 0.00 -0.60 0.00 0.00 56.93 56.03 1ywu s PHE 85 Cb -0.15 -1.47 -0.05 0.00 0.51 0.00 0.00 43.02 41.86 1ywu s PHE 85 CO 0.02 0.28 0.31 -2.00 0.70 0.00 0.00 175.22 174.53 1ywu s GLU 86 N -1.49 3.82 -0.33 0.44 2.12 0.51 -1.10 118.70 122.67 1ywu s GLU 86 Ca 0.15 0.20 -0.29 0.00 0.36 0.00 0.00 54.97 55.39 1ywu s GLU 86 Cb -0.11 -3.24 -0.01 0.00 0.26 0.00 0.00 34.13 31.03 1ywu s GLU 86 CO 0.06 0.65 1.55 0.00 -0.54 0.00 0.00 175.26 176.98 1ywu h GLN 88 N 11.12 0.01 -3.04 0.00 4.15 -1.29 -3.47 115.11 122.59 1ywu h GLN 88 Ca -0.30 -0.01 -0.16 0.00 0.77 0.00 0.00 58.65 58.94 1ywu h GLN 88 Cb 1.13 0.00 -0.26 0.00 0.21 0.00 0.00 27.48 28.57 1ywu h GLN 88 CO 1.05 1.01 -0.40 -1.58 -1.93 0.00 0.00 178.83 176.97 1ywu s HIS 89 N -2.34 -0.32 -0.03 3.99 5.04 -0.75 -5.00 115.29 115.87 1ywu s HIS 89 Ca -0.27 0.78 0.01 0.00 -1.54 0.00 0.00 55.06 54.04 1ywu s HIS 89 Cb 0.04 0.10 0.01 0.00 0.04 0.00 0.00 32.58 32.78 1ywu s HIS 89 CO 0.62 -0.17 -0.06 0.42 -2.34 0.00 0.00 174.74 173.21 1ywu s ILE 90 N 0.35 0.56 0.27 0.89 1.01 -1.26 -0.44 121.20 122.58 1ywu s ILE 90 Ca -0.02 -0.19 -0.30 0.00 0.00 0.00 0.00 60.65 60.15 1ywu s ILE 90 Cb -0.03 -0.55 -0.10 0.00 0.01 0.00 0.00 42.46 41.79 1ywu s ILE 90 CO -0.01 0.21 1.39 -0.62 0.00 0.00 0.00 174.94 175.90 1ywu s ASP 91 N 0.58 6.71 0.35 3.58 -1.08 -1.10 -4.89 116.67 120.83 1ywu s ASP 91 Ca -0.08 2.64 0.03 0.00 -0.52 0.00 0.00 52.55 54.63 1ywu s ASP 91 Cb -0.11 -2.63 0.64 0.00 -1.46 0.00 0.00 42.92 39.36 1ywu s ASP 91 CO 0.00 -0.63 1.96 -0.07 0.52 0.00 0.00 175.17 176.95 1ywu h LEU 92 N 4.59 0.62 -0.40 -1.34 4.07 -1.98 0.11 115.31 120.98 1ywu h LEU 92 Ca -0.47 -0.05 -0.08 0.00 0.08 0.00 0.00 57.88 57.36 1ywu h LEU 92 Cb 1.22 -0.16 -0.01 0.00 1.08 0.00 0.00 40.66 42.79 1ywu h LEU 92 CO 0.74 0.53 -0.05 -0.78 -1.08 0.00 0.00 178.44 177.79 1ywu h ASP 93 N 0.69 0.73 -0.60 -0.43 3.58 -1.97 0.96 116.42 119.39 1ywu h ASP 93 Ca 0.17 -0.34 0.03 0.00 0.42 0.00 0.00 57.03 57.31 1ywu h ASP 93 Cb 0.07 -0.20 -0.04 0.00 1.72 0.00 0.00 39.33 40.88 1ywu h ASP 93 CO -0.02 0.90 0.36 0.28 -2.88 0.00 0.00 179.24 177.88 1ywu h SER 94 N 0.55 0.59 -0.62 2.28 0.02 -1.55 0.16 113.55 114.99 1ywu h SER 94 Ca 0.11 0.01 0.04 0.00 -0.84 0.00 0.00 61.79 61.10 1ywu h SER 94 Cb 0.55 -0.12 -0.05 0.00 0.14 0.00 0.00 62.40 62.93 1ywu h SER 94 CO 0.03 0.41 0.36 0.40 -1.14 0.00 0.00 176.83 176.89 1ywu h ILE 95 N 0.71 1.02 -0.54 3.27 2.04 -0.49 -0.21 117.51 123.32 1ywu h ILE 95 Ca 0.24 -0.24 -0.03 0.00 1.00 0.00 0.00 64.86 65.84 1ywu h ILE 95 Cb 0.04 0.27 -0.03 0.00 -0.74 0.00 0.00 36.82 36.36 1ywu h ILE 95 CO -0.11 0.13 0.23 0.28 0.00 0.00 0.00 178.15 178.68 1ywu h SER 96 N 0.69 0.70 0.08 1.72 0.02 0.04 0.14 113.55 116.94 1ywu h SER 96 Ca 0.26 -0.08 -0.00 0.00 -0.84 0.00 0.00 61.79 61.13 1ywu h SER 96 Cb 0.09 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.46 1ywu h SER 96 CO -0.14 0.62 -0.04 0.45 -1.14 0.00 0.00 176.83 176.58 1ywu h HIS 97 N 0.76 -0.11 -0.36 3.45 3.86 -0.31 -2.75 115.15 119.70 1ywu h HIS 97 Ca 0.19 -0.00 0.03 0.00 -1.16 0.00 0.00 60.37 59.42 1ywu h HIS 97 Cb 0.13 0.03 -0.03 0.00 1.06 0.00 0.00 27.41 28.60 1ywu h HIS 97 CO 0.01 0.25 0.18 1.25 0.86 0.00 0.00 177.93 180.48 1ywu h LEU 98 N -0.48 0.27 0.23 2.43 7.12 -0.67 0.72 115.31 124.92 1ywu h LEU 98 Ca -0.01 0.02 0.01 0.00 0.13 0.00 0.00 57.88 58.02 1ywu h LEU 98 Cb 0.40 -0.03 -0.04 0.00 -0.53 0.00 0.00 40.66 40.46 1ywu h LEU 98 CO 0.02 0.20 -0.44 -0.09 -0.13 0.00 0.00 178.44 178.00 1ywu h ARG 99 N 0.37 -0.72 -0.38 1.25 2.43 -0.78 -1.11 114.38 115.45 1ywu h ARG 99 Ca 0.15 0.05 -0.09 0.00 -0.81 0.00 0.00 59.98 59.28 1ywu h ARG 99 Cb 0.06 0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.76 1ywu h ARG 99 CO -0.11 -0.48 -0.14 -0.09 -1.51 0.00 0.00 179.97 177.65 1ywu h ARG 100 N -0.75 0.68 -0.13 0.20 2.43 -1.32 -2.33 114.38 113.17 1ywu h ARG 100 Ca -0.00 -0.22 0.03 0.00 -0.81 0.00 0.00 59.98 58.97 1ywu h ARG 100 Cb 0.73 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.19 1ywu h ARG 100 CO -0.19 0.79 -0.02 1.25 -1.51 0.00 0.00 179.97 180.29 1ywu h LEU 101 N 0.61 -0.10 -0.69 3.80 5.85 -0.54 -1.26 115.31 122.98 1ywu h LEU 101 Ca 0.10 0.04 -0.10 0.00 0.84 0.00 0.00 57.88 58.76 1ywu h LEU 101 Cb 0.59 0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.67 1ywu h LEU 101 CO 0.04 -0.03 -0.06 0.58 -0.34 0.00 0.00 178.44 178.63 1ywu h VAL 102 N 0.01 1.26 -0.25 1.05 2.07 -0.99 0.16 116.25 119.57 1ywu h VAL 102 Ca 0.06 -1.18 0.01 0.00 0.82 0.00 0.00 66.70 66.42 1ywu h VAL 102 Cb 0.09 0.91 -0.02 0.00 -1.52 0.00 0.00 31.29 30.76 1ywu h VAL 102 CO -0.13 0.42 0.14 -0.33 0.02 0.00 0.00 177.57 177.68 1ywu h GLU 103 N 0.86 0.28 0.00 1.57 5.08 -1.13 0.28 114.58 121.52 1ywu h GLU 103 Ca 0.15 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 1ywu h GLU 103 Cb 0.59 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.78 1ywu h GLU 103 CO 0.04 0.18 0.00 1.28 -1.00 0.00 0.00 179.01 179.51 1ywu n LEU 104 N -4.96 0.60 0.04 1.33 7.99 -0.50 -1.76 117.00 119.74 1ywu n LEU 104 Ca -0.02 0.58 -0.06 0.00 -0.01 0.00 0.00 56.01 56.49 1ywu n LEU 104 Cb 0.05 -0.41 -0.11 0.00 -0.11 0.00 0.00 43.42 42.84 1ywu n LEU 104 CO 0.32 -0.23 -0.03 -1.13 -1.51 0.00 0.00 177.39 174.82 1ywu h ASN 105 N 0.00 0.00 0.00 -1.43 -0.73 0.24 -3.45 115.58 110.21 1ywu h ASN 105 Ca 0.00 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.17 1ywu h ASN 105 Cb 0.60 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.19 1ywu h ASN 105 CO 0.00 0.94 0.00 -0.11 -0.37 0.00 0.00 177.43 177.89 1ywu n LEU 106 N -3.24 0.00 0.00 0.34 7.94 -0.53 -5.00 117.00 116.51 1ywu n LEU 106 Ca -0.05 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.85 1ywu n LEU 106 Cb 0.95 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.90 1ywu n LEU 106 CO 0.46 0.00 0.00 0.61 -1.11 0.00 0.00 177.39 177.35 1ywu n GLY 107 N -0.29 0.71 3.57 -3.96 0.00 0.87 -4.96 105.19 101.13 1ywu n GLY 107 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1ywu n GLY 107 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ywu s ASP 108 N -2.20 6.52 0.00 1.61 2.15 -1.26 -4.86 116.67 118.62 1ywu s ASP 108 Ca 0.00 0.16 0.26 0.00 0.43 0.00 0.00 52.55 53.40 1ywu s ASP 108 Cb 0.00 -2.45 0.66 0.00 -0.30 0.00 0.00 42.92 40.83 1ywu s ASP 108 CO 0.00 -1.02 1.51 -0.62 -0.17 0.00 0.00 175.17 174.87 1ywu n GLU 109 N 7.10 0.25 -0.08 4.34 1.02 -1.26 -3.86 120.64 128.15 1ywu n GLU 109 Ca 0.06 -0.14 -0.13 0.00 -0.02 0.00 0.00 57.16 56.93 1ywu n GLU 109 Cb 0.48 -1.50 -0.01 0.00 -0.02 0.00 0.00 31.44 30.40 1ywu n GLU 109 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 1ywu h GLU 110 N 0.34 0.84 -0.57 3.49 4.22 -1.93 -2.51 114.58 118.46 1ywu h GLU 110 Ca 0.00 -0.48 0.07 0.00 0.08 0.00 0.00 59.36 59.02 1ywu h GLU 110 Cb 0.49 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.75 1ywu h GLU 110 CO 0.00 1.12 0.38 -0.07 -2.18 0.00 0.00 179.01 178.26 1ywu h LEU 111 N 0.66 0.45 -0.06 1.64 3.38 -2.00 -0.59 115.31 118.79 1ywu h LEU 111 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1ywu h LEU 111 Cb 1.06 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.72 1ywu h LEU 111 CO 0.11 0.29 0.00 0.18 0.09 0.00 0.00 178.44 179.10 1ywu n LEU 112 N -4.47 0.69 -1.95 1.67 4.77 -0.97 -3.77 117.00 112.96 1ywu n LEU 112 Ca 0.08 0.57 -0.09 0.00 -0.03 0.00 0.00 56.01 56.54 1ywu n LEU 112 Cb 0.26 -0.37 0.06 0.00 -2.33 0.00 0.00 43.42 41.04 1ywu n LEU 112 CO 0.34 -0.19 0.14 1.21 -1.33 0.00 0.00 177.39 177.56 1ywu n GLU 113 N -2.15 2.34 0.00 3.23 2.13 -0.29 -1.80 120.64 124.10 1ywu n GLU 113 Ca 0.05 -3.60 0.00 0.00 0.66 0.00 0.00 57.16 54.28 1ywu n GLU 113 Cb 0.40 -1.73 0.00 0.00 0.27 0.00 0.00 31.44 30.38 1ywu n GLU 113 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1ywu n ARG 114 N -0.62 0.00 -3.64 5.31 1.74 -0.84 -4.96 116.66 113.65 1ywu n ARG 114 Ca 0.25 0.00 -0.03 0.00 -0.77 0.00 0.00 57.85 57.31 1ywu n ARG 114 Cb 0.89 -0.02 -0.03 0.00 -1.02 0.00 0.00 32.46 32.28 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 0.09 0.31 5.56 -6.30 -1.26 -4.90 118.70 112.20 1ywu s GLU 115 Ca 0.00 -0.00 -0.00 0.00 -2.50 0.00 0.00 54.97 52.46 1ywu s GLU 115 Cb 0.00 0.04 0.52 0.00 0.00 0.00 0.00 34.13 34.69 1ywu s GLU 115 CO 0.00 -0.03 1.96 1.25 0.02 0.00 0.00 175.26 178.46 1ywu h LEU 116 N 2.04 0.88 -1.29 2.70 5.85 -1.95 0.32 115.31 123.87 1ywu h LEU 116 Ca -0.06 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.64 1ywu h LEU 116 Cb 1.16 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.98 1ywu h LEU 116 CO 0.21 0.62 0.00 0.00 -0.34 0.00 0.00 178.44 178.93 1ywu h ALA 117 N 1.52 1.00 -0.20 1.25 0.00 -1.99 -2.70 119.26 118.14 1ywu h ALA 117 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.22 1ywu h ALA 117 Cb -0.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1ywu h ALA 117 CO -0.08 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.45 1ywu n LEU 118 N -2.80 3.09 -4.55 0.00 4.77 0.96 -4.87 117.00 113.60 1ywu n LEU 118 Ca 0.01 -1.26 -0.41 0.00 -0.03 0.00 0.00 56.01 54.32 1ywu n LEU 118 Cb 0.27 -0.12 -0.08 0.00 -2.33 0.00 0.00 43.42 41.16 1ywu n LEU 118 CO 0.24 0.60 0.23 -0.76 -1.33 0.00 0.00 177.39 176.37 1ywu s LEU 119 N -1.63 4.36 0.38 2.23 1.02 -0.15 -4.71 118.68 120.18 1ywu s LEU 119 Ca 0.31 -0.05 0.08 0.00 0.02 0.00 0.00 54.13 54.49 1ywu s LEU 119 Cb 0.20 -2.59 -0.04 0.00 0.02 0.00 0.00 46.19 43.78 1ywu s LEU 119 CO 0.29 -0.49 0.21 -0.69 0.02 0.00 0.00 176.35 175.68 1ywu s VAL 120 N 2.40 2.76 0.79 -1.59 1.01 -1.26 -5.01 120.40 119.51 1ywu s VAL 120 Ca 0.19 -1.61 -0.10 0.00 0.00 0.00 0.00 61.98 60.46 1ywu s VAL 120 Cb -0.15 -3.00 0.10 0.00 0.00 0.00 0.00 36.38 33.33 1ywu s VAL 120 CO 0.13 -0.09 1.13 -0.44 0.00 0.00 0.00 175.10 175.83 1ywu s SER 121 N -3.93 4.34 0.34 3.32 0.01 -1.26 -4.66 113.70 111.87 1ywu s SER 121 Ca 0.41 0.48 0.15 0.00 1.31 0.00 0.00 55.95 58.29 1ywu s SER 121 Cb -0.01 -0.93 1.11 0.00 0.21 0.00 0.00 66.02 66.40 1ywu s SER 121 CO 0.24 -1.95 1.64 0.00 0.41 0.00 0.00 173.24 173.58 1ywu h ALA 122 N -0.96 1.93 -3.85 1.44 0.00 -1.96 -3.38 119.26 112.47 1ywu h ALA 122 Ca -0.44 0.22 -0.69 0.00 0.00 0.00 0.00 54.91 54.00 1ywu h ALA 122 Cb 1.30 0.22 -0.21 0.00 0.00 0.00 0.00 17.79 19.10 1ywu h ALA 122 CO 0.57 -0.65 -0.85 -3.38 0.00 0.00 0.00 179.25 174.93 1ywu s HIS 123 N -5.66 2.38 -0.16 0.00 -3.43 -1.26 -5.01 115.29 102.15 1ywu s HIS 123 Ca -0.10 -0.34 0.17 0.00 -0.80 0.00 0.00 55.06 53.99 1ywu s HIS 123 Cb 0.31 -1.28 -0.25 0.00 -1.43 0.00 0.00 32.58 29.93 1ywu s HIS 123 CO 0.79 0.35 0.24 -0.40 -2.00 0.00 0.00 174.74 173.71 1ywu n ASP 124 N 0.88 0.21 -0.52 7.38 5.68 -1.26 -5.07 116.55 123.84 1ywu n ASP 124 Ca -0.17 0.10 0.14 0.00 -0.50 0.00 0.00 54.79 54.35 1ywu n ASP 124 Cb 0.53 0.80 0.49 0.00 -1.14 0.00 0.00 41.12 41.80 1ywu n ASP 124 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20