#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 6.81 -1.19 6.12 0.01 -1.26 -4.97 113.70 119.22 1ywu s SER 2 Ca 0.00 1.00 -0.20 0.00 1.31 0.00 0.00 55.95 58.05 1ywu s SER 2 Cb 0.00 -2.41 0.05 0.00 0.21 0.00 0.00 66.02 63.86 1ywu s SER 2 CO 0.00 -0.42 1.67 -1.81 0.41 0.00 0.00 173.24 173.10 1ywu s ASP 3 N 1.28 6.51 -0.32 2.44 -0.00 -1.26 -4.86 116.67 120.47 1ywu s ASP 3 Ca 0.34 -2.00 0.04 0.00 -0.00 0.00 0.00 52.55 50.92 1ywu s ASP 3 Cb -0.16 -2.58 0.09 0.00 -0.00 0.00 0.00 42.92 40.27 1ywu s ASP 3 CO 0.09 -1.50 0.00 -1.58 -0.00 0.00 0.00 175.17 172.18 1ywu s GLN 4 N 4.77 1.73 0.81 8.23 0.74 -1.26 -5.11 119.66 129.56 1ywu s GLN 4 Ca 0.53 -1.71 -0.11 0.00 0.05 0.00 0.00 55.36 54.12 1ywu s GLN 4 Cb 0.02 -3.12 0.08 0.00 1.10 0.00 0.00 33.01 31.10 1ywu s GLN 4 CO 0.02 -0.82 1.14 -3.38 -0.55 0.00 0.00 175.29 171.70 1ywu s HIS 5 N 0.97 2.10 0.27 1.67 -3.43 -1.26 -4.92 115.29 110.69 1ywu s HIS 5 Ca 0.05 1.66 -0.30 0.00 -0.80 0.00 0.00 55.06 55.67 1ywu s HIS 5 Cb -0.19 -3.25 -0.11 0.00 -1.43 0.00 0.00 32.58 27.59 1ywu s HIS 5 CO -0.07 -2.34 1.56 0.34 -2.00 0.00 0.00 174.74 172.23 1ywu s ASP 6 N -2.79 6.46 0.00 7.38 -1.08 -1.26 -4.98 116.67 120.40 1ywu s ASP 6 Ca 0.66 2.85 0.00 0.00 -0.52 0.00 0.00 52.55 55.55 1ywu s ASP 6 Cb -0.22 -2.63 0.00 0.00 -1.46 0.00 0.00 42.92 38.61 1ywu s ASP 6 CO 0.54 -0.85 0.00 -1.84 0.52 0.00 0.00 175.17 173.53 1ywu n GLU 7 N 2.37 3.33 -0.02 4.34 -0.00 -1.26 -4.97 120.64 124.43 1ywu n GLU 7 Ca 0.08 0.00 0.13 0.00 -0.00 0.00 0.00 57.16 57.38 1ywu n GLU 7 Cb 0.38 0.00 0.49 0.00 -0.00 0.00 0.00 31.44 32.32 1ywu n GLU 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 1ywu n ARG 8 N 0.00 1.68 -2.83 3.44 1.74 -1.26 -4.72 116.66 114.70 1ywu n ARG 8 Ca 0.00 -0.99 -0.43 0.00 -0.77 0.00 0.00 57.85 55.66 1ywu n ARG 8 Cb 0.00 -1.46 -0.04 0.00 -1.02 0.00 0.00 32.46 29.94 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 -1.95 3.65 0.00 5.56 0.52 -1.26 -4.89 118.95 120.58 1ywu s ARG 9 Ca 0.37 0.31 0.21 0.00 -0.52 0.00 0.00 55.73 56.09 1ywu s ARG 9 Cb 0.20 -3.87 1.12 0.00 0.52 0.00 0.00 34.95 32.92 1ywu s ARG 9 CO 0.32 -1.10 1.65 0.54 0.02 0.00 0.00 175.30 176.73 1ywu n ARG 10 N 6.96 0.43 -0.05 3.54 1.74 -1.26 -2.90 116.66 125.12 1ywu n ARG 10 Ca 0.06 0.06 0.06 0.00 -0.77 0.00 0.00 57.85 57.26 1ywu n ARG 10 Cb 0.48 -1.50 0.27 0.00 -1.02 0.00 0.00 32.46 30.70 1ywu n ARG 10 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1ywu n PHE 11 N -1.18 0.13 -2.55 -1.55 3.01 -1.26 -4.86 117.46 109.19 1ywu n PHE 11 Ca 0.12 -0.06 -0.34 0.00 1.01 0.00 0.00 57.45 58.17 1ywu n PHE 11 Cb 0.13 0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 39.56 1ywu n PHE 11 CO 0.00 0.00 0.00 -3.38 1.01 0.00 0.00 176.76 174.39 1ywu s HIS 12 N -1.87 3.02 -0.10 1.38 -3.43 -1.14 -4.56 115.29 108.58 1ywu s HIS 12 Ca 0.19 1.58 -0.07 0.00 -0.80 0.00 0.00 55.06 55.96 1ywu s HIS 12 Cb 0.10 -3.07 0.03 0.00 -1.43 0.00 0.00 32.58 28.20 1ywu s HIS 12 CO 0.15 -0.81 0.14 0.54 -2.00 0.00 0.00 174.74 172.76 1ywu n ARG 13 N -0.89 -2.78 -2.84 -0.38 5.12 -1.26 -4.89 116.66 108.74 1ywu n ARG 13 Ca 0.09 2.29 -0.43 0.00 -1.93 0.00 0.00 57.85 57.86 1ywu n ARG 13 Cb 0.52 -3.40 -0.03 0.00 -1.16 0.00 0.00 32.46 28.40 1ywu n ARG 13 CO 0.00 0.00 0.00 0.96 -1.93 0.00 0.00 177.63 176.66 1ywu s ILE 14 N -0.39 4.55 -0.58 0.55 -4.36 -1.26 -4.88 121.20 114.83 1ywu s ILE 14 Ca -0.16 -1.44 0.05 0.00 -0.26 0.00 0.00 60.65 58.84 1ywu s ILE 14 Cb 0.01 -4.85 0.18 0.00 1.25 0.00 0.00 42.46 39.04 1ywu s ILE 14 CO 0.44 -1.62 0.45 0.00 0.24 0.00 0.00 174.94 174.46 1ywu n ALA 15 N 7.07 3.21 -1.76 2.27 0.00 -1.26 -3.62 120.51 126.41 1ywu n ALA 15 Ca 0.27 -3.95 -0.40 0.00 0.00 0.00 0.00 53.44 49.36 1ywu n ALA 15 Cb 0.49 -0.91 -0.03 0.00 0.00 0.00 0.00 19.45 19.00 1ywu n ALA 15 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1ywu s PHE 16 N -0.93 3.29 -0.99 0.00 -0.71 -1.26 -4.94 117.98 112.44 1ywu s PHE 16 Ca 0.29 1.58 -0.23 0.00 -1.04 0.00 0.00 56.93 57.53 1ywu s PHE 16 Cb 0.01 -3.43 0.06 0.00 -1.21 0.00 0.00 43.02 38.44 1ywu s PHE 16 CO -0.17 -1.14 1.40 -0.51 -1.34 0.00 0.00 175.22 173.46 1ywu s ASP 17 N -0.81 6.48 0.15 1.98 1.11 -1.26 -4.76 116.67 119.56 1ywu s ASP 17 Ca 0.49 -1.43 0.02 0.00 0.18 0.00 0.00 52.55 51.81 1ywu s ASP 17 Cb -0.34 -2.55 -0.04 0.00 1.07 0.00 0.00 42.92 41.05 1ywu s ASP 17 CO 0.44 -1.49 -0.01 0.00 1.18 0.00 0.00 175.17 175.29 1ywu s ALA 18 N 4.81 1.21 -0.23 5.23 0.00 -1.26 -5.09 121.76 126.43 1ywu s ALA 18 Ca 0.44 -1.52 -0.28 0.00 0.00 0.00 0.00 51.96 50.60 1ywu s ALA 18 Cb -0.01 0.46 -0.04 0.00 0.00 0.00 0.00 23.12 23.53 1ywu s ALA 18 CO -0.08 -0.31 2.05 -0.51 0.00 0.00 0.00 175.76 176.92 1ywu s ASP 19 N -3.13 5.70 -0.50 0.00 1.01 -1.25 -4.84 116.67 113.66 1ywu s ASP 19 Ca 0.21 1.78 -0.03 0.00 0.71 0.00 0.00 52.55 55.21 1ywu s ASP 19 Cb 0.06 -2.52 0.13 0.00 1.01 0.00 0.00 42.92 41.60 1ywu s ASP 19 CO 0.01 -1.78 0.31 -0.44 0.21 0.00 0.00 175.17 173.47 1ywu s SER 20 N 7.18 5.28 -0.19 0.27 0.01 -1.26 -1.51 113.70 123.50 1ywu s SER 20 Ca 0.92 -2.34 -0.08 0.00 1.31 0.00 0.00 55.95 55.76 1ywu s SER 20 Cb -0.30 -1.85 -0.04 0.00 0.21 0.00 0.00 66.02 64.03 1ywu s SER 20 CO 0.35 -0.49 0.08 -1.61 0.41 0.00 0.00 173.24 171.98 1ywu s GLU 21 N 0.69 4.03 -0.50 12.44 2.02 -0.99 -0.80 118.70 135.60 1ywu s GLU 21 Ca 0.11 -0.31 -0.18 0.00 0.02 0.00 0.00 54.97 54.62 1ywu s GLU 21 Cb -0.22 -3.28 0.07 0.00 0.10 0.00 0.00 34.13 30.80 1ywu s GLU 21 CO -0.04 0.27 0.54 0.42 0.02 0.00 0.00 175.26 176.48 1ywu s ILE 22 N 0.40 5.01 -0.12 -1.63 1.09 0.50 -0.45 121.20 126.00 1ywu s ILE 22 Ca 0.04 -0.78 -0.14 0.00 -1.10 0.00 0.00 60.65 58.68 1ywu s ILE 22 Cb -0.12 -4.25 -0.05 0.00 -1.06 0.00 0.00 42.46 36.98 1ywu s ILE 22 CO -0.00 -0.75 0.34 -0.76 -0.10 0.00 0.00 174.94 173.66 1ywu s LEU 23 N 2.24 4.30 -0.51 2.97 1.43 0.45 -1.49 118.68 128.07 1ywu s LEU 23 Ca 0.10 0.64 0.04 0.00 -1.03 0.00 0.00 54.13 53.88 1ywu s LEU 23 Cb -0.22 -2.45 0.13 0.00 0.03 0.00 0.00 46.19 43.68 1ywu s LEU 23 CO 0.09 0.14 0.25 -1.58 0.23 0.00 0.00 176.35 175.48 1ywu s GLN 24 N 0.16 1.90 0.00 1.70 -0.44 -0.90 -1.97 119.66 120.10 1ywu s GLN 24 Ca 0.19 -2.55 0.00 0.00 -2.50 0.00 0.00 55.36 50.51 1ywu s GLN 24 Cb -0.14 -3.22 0.00 0.00 -1.64 0.00 0.00 33.01 28.01 1ywu s GLN 24 CO 0.07 -1.11 0.00 0.41 0.50 0.00 0.00 175.29 175.16 1ywu n GLY 25 N 3.18 1.51 0.00 2.59 0.00 -1.26 -2.56 105.19 108.65 1ywu n GLY 25 Ca 0.05 0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1ywu n GLY 25 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1ywu n GLU 26 N 0.00 3.01 -3.67 1.61 0.28 -1.26 -5.09 120.64 115.53 1ywu n GLU 26 Ca 0.00 0.00 -0.35 0.00 -0.16 0.00 0.00 57.16 56.65 1ywu n GLU 26 Cb 0.00 -0.30 -0.05 0.00 1.43 0.00 0.00 31.44 32.51 1ywu n GLU 26 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 177.13 177.47 1ywu s ARG 27 N -0.18 3.67 -0.11 3.44 3.52 -1.06 -5.08 118.95 123.15 1ywu s ARG 27 Ca 0.00 0.05 -0.07 0.00 -0.13 0.00 0.00 55.73 55.58 1ywu s ARG 27 Cb 0.00 -3.05 -0.04 0.00 -1.56 0.00 0.00 34.95 30.30 1ywu s ARG 27 CO 0.00 0.61 0.15 1.03 -0.81 0.00 0.00 175.30 176.28 1ywu s ARG 28 N -1.80 3.46 -0.42 5.12 1.81 -1.26 -2.12 118.95 123.73 1ywu s ARG 28 Ca 0.30 -0.12 0.02 0.00 -1.72 0.00 0.00 55.73 54.21 1ywu s ARG 28 Cb -0.14 -3.19 0.13 0.00 -0.45 0.00 0.00 34.95 31.30 1ywu s ARG 28 CO 0.17 0.77 0.20 -1.58 -0.68 0.00 0.00 175.30 174.18 1ywu s TRP 29 N -1.04 2.28 -0.42 -0.53 0.51 -0.55 -4.97 118.94 114.23 1ywu s TRP 29 Ca 0.16 -2.48 -0.26 0.00 -2.12 0.00 0.00 56.10 51.39 1ywu s TRP 29 Cb -0.12 -2.10 0.02 0.00 -0.81 0.00 0.00 33.47 30.46 1ywu s TRP 29 CO 0.05 -0.81 0.95 -2.00 -0.51 0.00 0.00 176.95 174.63 1ywu s GLU 30 N 0.50 3.71 0.24 4.98 2.12 -1.26 -0.37 118.70 128.63 1ywu s GLU 30 Ca 0.16 0.43 0.08 0.00 0.36 0.00 0.00 54.97 55.99 1ywu s GLU 30 Cb -0.23 -3.86 -0.05 0.00 0.26 0.00 0.00 34.13 30.25 1ywu s GLU 30 CO -0.04 -1.10 -0.13 0.54 -0.54 0.00 0.00 175.26 173.98 1ywu s VAL 31 N 3.69 1.85 0.06 3.70 0.11 0.02 -5.01 120.40 124.83 1ywu s VAL 31 Ca 0.39 -2.23 -0.24 0.00 -2.93 0.00 0.00 61.98 56.97 1ywu s VAL 31 Cb -0.11 -2.19 -0.06 0.00 -1.53 0.00 0.00 36.38 32.49 1ywu s VAL 31 CO 0.23 -0.49 0.74 -0.76 -3.33 0.00 0.00 175.10 171.49 1ywu s LEU 32 N -3.38 4.48 0.41 2.54 1.02 -1.26 -4.08 118.68 118.40 1ywu s LEU 32 Ca 0.26 1.44 -0.25 0.00 0.02 0.00 0.00 54.13 55.60 1ywu s LEU 32 Cb -0.00 -3.19 -0.08 0.00 0.02 0.00 0.00 46.19 42.94 1ywu s LEU 32 CO 0.10 0.08 1.17 -0.22 0.02 0.00 0.00 176.35 177.50 1ywu s LEU 33 N -0.35 4.17 -0.03 1.79 2.96 -1.26 -3.95 118.68 122.02 1ywu s LEU 33 Ca 0.36 2.35 -0.04 0.00 -0.22 0.00 0.00 54.13 56.58 1ywu s LEU 33 Cb -0.21 -4.05 -0.02 0.00 0.50 0.00 0.00 46.19 42.41 1ywu s LEU 33 CO 0.23 -0.71 -0.09 1.41 -1.32 0.00 0.00 176.35 175.87 1ywu n HIS 34 N 0.01 0.00 -3.64 5.38 8.25 -1.04 -4.87 115.22 119.31 1ywu n HIS 34 Ca 0.05 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.41 1ywu n HIS 34 Cb 0.47 -0.20 -0.07 0.00 1.12 0.00 0.00 29.99 31.31 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 -5.80 -0.76 0.01 0.41 2.15 -1.06 -4.27 116.67 107.35 1ywu s ASP 35 Ca -0.09 1.33 0.05 0.00 0.43 0.00 0.00 52.55 54.27 1ywu s ASP 35 Cb 0.03 1.33 -0.02 0.00 -0.30 0.00 0.00 42.92 43.96 1ywu s ASP 35 CO 0.12 -0.22 -0.16 0.54 -0.17 0.00 0.00 175.17 175.28 1ywu s VAL 36 N 0.92 1.29 0.00 1.11 0.11 -1.24 -0.40 120.40 122.20 1ywu s VAL 36 Ca -0.04 -0.84 0.00 0.00 -2.93 0.00 0.00 61.98 58.17 1ywu s VAL 36 Cb -0.05 -1.10 0.00 0.00 -1.53 0.00 0.00 36.38 33.70 1ywu s VAL 36 CO -0.09 0.25 0.00 -1.54 -3.33 0.00 0.00 175.10 170.38 1ywu n SER 37 N 2.36 0.00 -0.30 3.54 3.41 -0.50 -4.80 113.62 117.33 1ywu n SER 37 Ca -0.16 -0.88 0.13 0.00 -0.26 0.00 0.00 58.87 57.71 1ywu n SER 37 Cb 0.54 0.00 0.62 0.00 -0.26 0.00 0.00 64.21 65.11 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 0.94 -0.09 1.04 7.94 -1.24 -3.51 117.00 122.07 1ywu n LEU 38 Ca 0.00 -0.34 0.02 0.00 -1.11 0.00 0.00 56.01 54.58 1ywu n LEU 38 Cb 0.00 -0.02 0.03 0.00 0.53 0.00 0.00 43.42 43.96 1ywu n LEU 38 CO 0.00 0.17 0.42 0.00 -1.11 0.00 0.00 177.39 176.87 1ywu n HIS 39 N -0.24 0.00 0.00 1.96 1.44 -1.26 -4.90 115.22 112.22 1ywu n HIS 39 Ca 0.19 -0.41 0.00 0.00 -2.01 0.00 0.00 57.72 55.49 1ywu n HIS 39 Cb 0.25 -0.06 0.00 0.00 0.12 0.00 0.00 29.99 30.30 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 -0.51 0.52 3.56 -1.39 0.00 -1.23 -2.58 105.19 103.55 1ywu n GLY 40 Ca 0.04 -1.67 -0.16 0.00 0.00 0.00 0.00 46.02 44.23 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 -2.74 0.00 -0.16 -0.61 2.07 -0.97 -1.41 121.20 117.38 1ywu s ILE 41 Ca 0.00 0.00 -0.01 0.00 -1.41 0.00 0.00 60.65 59.23 1ywu s ILE 41 Cb 0.00 -1.00 -0.01 0.00 0.13 0.00 0.00 42.46 41.58 1ywu s ILE 41 CO 0.00 0.00 -0.11 -0.22 -1.91 0.00 0.00 174.94 172.70 1ywu s LEU 42 N -0.70 2.71 0.47 8.50 2.96 0.47 -1.04 118.68 132.05 1ywu s LEU 42 Ca -0.07 -0.37 0.02 0.00 -0.22 0.00 0.00 54.13 53.50 1ywu s LEU 42 Cb -0.02 -1.63 -0.01 0.00 0.50 0.00 0.00 46.19 45.03 1ywu s LEU 42 CO 0.06 0.10 0.08 0.68 -1.32 0.00 0.00 176.35 175.95 1ywu s VAL 43 N 0.73 0.76 -0.34 1.68 -7.23 0.62 -2.51 120.40 114.10 1ywu s VAL 43 Ca -0.05 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.12 1ywu s VAL 43 Cb -0.15 -2.19 0.14 0.00 0.56 0.00 0.00 36.38 34.74 1ywu s VAL 43 CO 0.02 0.00 0.24 -0.83 -0.31 0.00 0.00 175.10 174.22 1ywu s GLY 44 N -3.75 0.56 -0.19 2.32 0.00 -1.25 -0.86 107.32 104.15 1ywu s GLY 44 Ca 0.13 -1.49 -0.15 0.00 0.00 0.00 0.00 44.72 43.22 1ywu s GLY 44 CO 0.09 2.26 0.34 1.20 0.00 0.00 0.00 173.10 176.99 1ywu s GLN 45 N 1.35 4.20 0.04 2.90 -0.21 -1.18 -4.59 119.66 122.18 1ywu s GLN 45 Ca 0.16 0.13 0.27 0.00 0.02 0.00 0.00 55.36 55.94 1ywu s GLN 45 Cb -0.20 -3.50 1.10 0.00 1.00 0.00 0.00 33.01 31.41 1ywu s GLN 45 CO -0.06 0.07 1.85 -0.35 -2.12 0.00 0.00 175.29 174.67 1ywu n PRO 46 N 4.14 0.05 -4.38 2.91 -0.04 -1.26 -4.76 135.00 131.65 1ywu n PRO 46 Ca -0.10 0.07 -0.34 0.00 -0.04 0.00 0.00 63.50 63.09 1ywu n PRO 46 Cb 0.51 -1.56 -0.11 0.00 -0.04 0.00 0.00 33.50 32.31 1ywu n PRO 46 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 1ywu s GLN 47 N -3.02 3.27 1.04 0.54 2.00 -1.26 -5.11 119.66 117.11 1ywu s GLN 47 Ca 0.13 -0.45 -0.14 0.00 -2.00 0.00 0.00 55.36 52.89 1ywu s GLN 47 Cb 0.17 -2.85 0.21 0.00 0.80 0.00 0.00 33.01 31.34 1ywu s GLN 47 CO 0.51 0.51 1.11 0.16 -0.50 0.00 0.00 175.29 177.09 1ywu s ASP 48 N -0.36 2.34 1.01 6.67 -4.77 -1.26 -5.04 116.67 115.26 1ywu s ASP 48 Ca 0.07 0.96 -0.17 0.00 -3.30 0.00 0.00 52.55 50.11 1ywu s ASP 48 Cb -0.12 -1.48 0.22 0.00 -1.09 0.00 0.00 42.92 40.45 1ywu s ASP 48 CO 0.02 -3.28 1.28 0.26 0.70 0.00 0.00 175.17 174.16 1ywu s TRP 49 N -3.07 1.36 0.23 2.11 0.52 -1.26 -4.96 118.94 113.86 1ywu s TRP 49 Ca 0.67 0.34 -0.07 0.00 0.02 0.00 0.00 56.10 57.06 1ywu s TRP 49 Cb -0.15 -4.00 0.20 0.00 -1.15 0.00 0.00 33.47 28.37 1ywu s TRP 49 CO 0.56 -2.91 1.85 -0.97 0.02 0.00 0.00 176.95 175.51 1ywu h ASN 50 N -1.84 1.10 0.00 2.95 -0.73 -2.00 -3.47 115.58 111.60 1ywu h ASN 50 Ca -0.44 -0.10 0.00 0.00 1.87 0.00 0.00 56.30 57.63 1ywu h ASN 50 Cb 1.24 -0.28 0.00 0.00 0.27 0.00 0.00 38.32 39.55 1ywu h ASN 50 CO 0.37 0.88 0.00 0.61 -0.37 0.00 0.00 177.43 178.92 1ywu n GLY 51 N -1.14 -0.72 3.08 1.57 0.00 -1.26 -5.14 105.19 101.58 1ywu n GLY 51 Ca 0.09 0.37 -0.13 0.00 0.00 0.00 0.00 46.02 46.36 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 0.00 0.92 -0.03 1.61 -4.77 -1.26 -5.04 116.67 108.10 1ywu s ASP 52 Ca 0.00 -0.61 0.00 0.00 -3.30 0.00 0.00 52.55 48.64 1ywu s ASP 52 Cb 0.00 0.04 0.05 0.00 -1.09 0.00 0.00 42.92 41.92 1ywu s ASP 52 CO 0.00 -0.24 1.00 -0.81 0.70 0.00 0.00 175.17 175.82 1ywu n PRO 53 N 1.26 1.11 0.01 2.11 -0.04 -1.26 -3.23 135.00 134.97 1ywu n PRO 53 Ca -0.21 -0.21 0.10 0.00 -0.04 0.00 0.00 63.50 63.14 1ywu n PRO 53 Cb 0.55 -1.14 -0.13 0.00 -0.04 0.00 0.00 33.50 32.74 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 0.34 0.65 -2.49 0.54 7.27 -1.26 -4.78 117.38 117.65 1ywu n GLN 54 Ca 0.04 -0.10 -0.43 0.00 0.07 0.00 0.00 57.00 56.58 1ywu n GLN 54 Cb 0.55 -1.60 -0.02 0.00 2.41 0.00 0.00 30.24 31.57 1ywu n GLN 54 CO 0.00 0.00 0.00 1.03 0.07 0.00 0.00 177.06 178.16 1ywu s ARG 55 N -3.42 4.30 0.35 3.69 3.00 -1.20 -5.01 118.95 120.67 1ywu s ARG 55 Ca -0.06 1.60 -0.28 0.00 0.00 0.00 0.00 55.73 56.99 1ywu s ARG 55 Cb 0.12 -3.64 -0.10 0.00 0.00 0.00 0.00 34.95 31.33 1ywu s ARG 55 CO 0.87 -0.56 1.33 -1.25 0.00 0.00 0.00 175.30 175.70 1ywu s PRO 56 N 2.80 4.25 0.02 3.54 0.04 -1.26 -4.89 135.00 139.50 1ywu s PRO 56 Ca 0.53 2.26 0.03 0.00 0.04 0.00 0.00 61.00 63.87 1ywu s PRO 56 Cb -0.22 -3.00 -0.04 0.00 0.04 0.00 0.00 34.50 31.29 1ywu s PRO 56 CO 0.17 -0.30 -0.04 -0.06 0.04 0.00 0.00 177.00 176.81 1ywu s PHE 57 N -1.16 2.93 -0.16 0.56 2.99 -0.92 -4.75 117.98 117.48 1ywu s PHE 57 Ca 0.51 -0.02 0.01 0.00 0.00 0.00 0.00 56.93 57.43 1ywu s PHE 57 Cb -0.41 -1.60 0.01 0.00 0.00 0.00 0.00 43.02 41.03 1ywu s PHE 57 CO 0.54 0.41 -0.19 -2.00 -0.00 0.00 0.00 175.22 173.98 1ywu s GLU 58 N -1.64 3.08 -0.47 0.44 2.12 -0.83 -0.39 118.70 121.01 1ywu s GLU 58 Ca 0.19 -0.81 -0.17 0.00 0.36 0.00 0.00 54.97 54.54 1ywu s GLU 58 Cb -0.11 -2.55 0.05 0.00 0.26 0.00 0.00 34.13 31.78 1ywu s GLU 58 CO 0.10 -0.07 0.50 0.00 -0.54 0.00 0.00 175.26 175.26 1ywu s ALA 59 N 0.97 3.45 -0.35 6.30 0.00 -0.74 -0.41 121.76 130.98 1ywu s ALA 59 Ca -0.03 -1.79 -0.10 0.00 0.00 0.00 0.00 51.96 50.04 1ywu s ALA 59 Cb -0.15 -3.18 0.01 0.00 0.00 0.00 0.00 23.12 19.81 1ywu s ALA 59 CO -0.04 -1.80 0.18 0.50 0.00 0.00 0.00 175.76 174.59 1ywu s ARG 60 N 2.19 3.04 -0.27 0.00 3.52 0.40 -2.04 118.95 125.79 1ywu s ARG 60 Ca 0.11 -0.93 -0.11 0.00 -0.13 0.00 0.00 55.73 54.67 1ywu s ARG 60 Cb -0.20 -3.65 -0.05 0.00 -1.56 0.00 0.00 34.95 29.49 1ywu s ARG 60 CO 0.11 -0.58 0.19 -0.51 -0.81 0.00 0.00 175.30 173.71 1ywu s LEU 61 N 1.58 4.03 -0.66 -0.88 1.43 0.44 -2.34 118.68 122.29 1ywu s LEU 61 Ca 0.03 0.02 -0.20 0.00 -1.03 0.00 0.00 54.13 52.95 1ywu s LEU 61 Cb -0.18 -2.13 0.10 0.00 0.03 0.00 0.00 46.19 44.01 1ywu s LEU 61 CO 0.06 -0.04 0.82 -0.31 0.23 0.00 0.00 176.35 177.11 1ywu s TYR 62 N 1.69 2.96 -2.52 0.29 2.02 -0.57 -1.00 117.35 120.22 1ywu s TYR 62 Ca 0.07 -0.94 0.26 0.00 -0.37 0.00 0.00 57.07 56.08 1ywu s TYR 62 Cb -0.16 -4.11 0.55 0.00 -0.40 0.00 0.00 41.96 37.84 1ywu s TYR 62 CO 0.10 -1.40 1.45 1.28 -1.57 0.00 0.00 175.55 175.42 1ywu n LEU 63 N 6.61 2.06 0.00 -1.29 7.99 -0.92 -3.91 117.00 127.54 1ywu n LEU 63 Ca -0.04 -0.69 0.00 0.00 -0.01 0.00 0.00 56.01 55.28 1ywu n LEU 63 Cb 0.44 -0.02 0.00 0.00 -0.11 0.00 0.00 43.42 43.73 1ywu n LEU 63 CO 0.58 0.35 0.00 0.61 -1.51 0.00 0.00 177.39 177.42 1ywu n GLY 64 N 1.30 -1.31 0.19 -0.72 0.00 -1.08 -4.85 105.19 98.72 1ywu n GLY 64 Ca 0.15 -0.95 -0.17 0.00 0.00 0.00 0.00 46.02 45.05 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 0.81 0.00 0.99 7.12 -2.01 -3.32 115.31 118.90 1ywu h LEU 65 Ca 0.00 -0.62 -0.08 0.00 0.13 0.00 0.00 57.88 57.32 1ywu h LEU 65 Cb 0.00 -0.24 -0.01 0.00 -0.53 0.00 0.00 40.66 39.87 1ywu h LEU 65 CO 0.00 1.41 -1.58 -0.67 -0.13 0.00 0.00 178.44 177.47 1ywu n ASP 66 N -3.84 0.47 -4.38 1.25 2.03 -1.26 -4.81 116.55 106.00 1ywu n ASP 66 Ca -0.09 0.19 -0.45 0.00 0.52 0.00 0.00 54.79 54.97 1ywu n ASP 66 Cb 0.84 0.98 -0.07 0.00 -0.72 0.00 0.00 41.12 42.14 1ywu n ASP 66 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1ywu s VAL 67 N -3.23 5.23 -0.14 5.18 1.01 -1.25 -5.03 120.40 122.17 1ywu s VAL 67 Ca -0.05 -1.09 0.01 0.00 0.00 0.00 0.00 61.98 60.86 1ywu s VAL 67 Cb 0.11 -4.14 -0.00 0.00 0.00 0.00 0.00 36.38 32.34 1ywu s VAL 67 CO 0.84 -0.60 -0.17 -0.76 0.00 0.00 0.00 175.10 174.41 1ywu s LEU 68 N 1.65 2.41 -0.49 3.92 2.01 -1.26 -2.17 118.68 124.75 1ywu s LEU 68 Ca 0.04 -0.48 -0.16 0.00 0.01 0.00 0.00 54.13 53.54 1ywu s LEU 68 Cb -0.25 -1.53 0.08 0.00 0.01 0.00 0.00 46.19 44.50 1ywu s LEU 68 CO 0.06 0.11 0.44 -0.63 1.01 0.00 0.00 176.35 177.35 1ywu s ILE 69 N 0.67 5.19 -0.13 -0.59 1.01 -0.17 -4.70 121.20 122.48 1ywu s ILE 69 Ca -0.08 -1.10 -0.05 0.00 0.00 0.00 0.00 60.65 59.41 1ywu s ILE 69 Cb -0.16 -4.19 -0.04 0.00 0.01 0.00 0.00 42.46 38.08 1ywu s ILE 69 CO 0.02 -0.67 0.05 0.00 0.00 0.00 0.00 174.94 174.34 1ywu s ARG 70 N 1.74 3.45 -0.17 2.79 1.70 -1.26 -0.42 118.95 126.79 1ywu s ARG 70 Ca 0.05 -0.32 -0.02 0.00 -0.47 0.00 0.00 55.73 54.96 1ywu s ARG 70 Cb -0.25 -3.03 0.05 0.00 -0.57 0.00 0.00 34.95 31.15 1ywu s ARG 70 CO 0.06 0.56 0.02 0.00 -1.08 0.00 0.00 175.30 174.86 1ywu s MET 71 N -0.45 0.72 -0.45 3.89 0.23 -0.86 -3.94 119.30 118.44 1ywu s MET 71 Ca 0.10 -0.35 -0.29 0.00 -1.03 0.00 0.00 55.69 54.11 1ywu s MET 71 Cb -0.12 -1.93 0.02 0.00 -1.53 0.00 0.00 34.83 31.27 1ywu s MET 71 CO 0.02 -0.57 1.34 -2.00 -2.03 0.00 0.00 175.02 171.78 1ywu s GLU 72 N 1.85 3.58 0.13 3.16 2.12 0.45 -1.79 118.70 128.19 1ywu s GLU 72 Ca 0.00 0.78 0.09 0.00 0.36 0.00 0.00 54.97 56.21 1ywu s GLU 72 Cb -0.16 -4.01 -0.04 0.00 0.26 0.00 0.00 34.13 30.18 1ywu s GLU 72 CO -0.07 -1.57 -0.22 0.96 -0.54 0.00 0.00 175.26 173.82 1ywu s ILE 73 N 5.27 1.89 -0.23 -3.70 -4.36 0.48 0.03 121.20 120.57 1ywu s ILE 73 Ca 0.57 -1.69 -0.06 0.00 -0.26 0.00 0.00 60.65 59.21 1ywu s ILE 73 Cb -0.12 -1.74 -0.02 0.00 1.25 0.00 0.00 42.46 41.83 1ywu s ILE 73 CO 0.32 -0.08 0.02 -0.44 0.24 0.00 0.00 174.94 175.00 1ywu s SER 74 N -2.14 4.79 -0.51 4.36 0.01 -0.23 -2.16 113.70 117.83 1ywu s SER 74 Ca 0.11 -0.28 -0.28 0.00 1.31 0.00 0.00 55.95 56.81 1ywu s SER 74 Cb -0.09 -1.84 0.00 0.00 0.21 0.00 0.00 66.02 64.30 1ywu s SER 74 CO 0.05 -0.02 1.56 -0.22 0.41 0.00 0.00 173.24 175.02 1ywu s LEU 75 N 1.51 3.42 0.00 2.44 2.96 -1.26 -0.66 118.68 127.10 1ywu s LEU 75 Ca 0.06 0.54 0.09 0.00 -0.22 0.00 0.00 54.13 54.60 1ywu s LEU 75 Cb -0.15 -3.10 0.03 0.00 0.50 0.00 0.00 46.19 43.47 1ywu s LEU 75 CO 0.01 -1.79 0.68 0.00 -1.32 0.00 0.00 176.35 173.92 1ywu n ALA 76 N 10.17 2.65 -2.41 5.97 0.00 -1.21 -4.97 120.51 130.71 1ywu n ALA 76 Ca 0.16 -0.48 -0.28 0.00 0.00 0.00 0.00 53.44 52.84 1ywu n ALA 76 Cb 0.49 -0.32 -0.15 0.00 0.00 0.00 0.00 19.45 19.47 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 -1.06 1.98 -0.30 0.00 -0.00 -0.78 -5.03 118.94 113.76 1ywu s TRP 77 Ca 0.09 -0.38 -0.01 0.00 -0.00 0.00 0.00 56.10 55.80 1ywu s TRP 77 Cb 0.07 -1.23 0.19 0.00 -0.00 0.00 0.00 33.47 32.50 1ywu s TRP 77 CO 0.18 0.02 0.67 0.00 -0.00 0.00 0.00 176.95 177.82 1ywu s ALA 78 N -0.64 -2.51 -0.60 5.86 0.00 -1.26 -2.31 121.76 120.30 1ywu s ALA 78 Ca 0.09 1.60 0.04 0.00 0.00 0.00 0.00 51.96 53.69 1ywu s ALA 78 Cb -0.09 -2.32 0.17 0.00 0.00 0.00 0.00 23.12 20.88 1ywu s ALA 78 CO 0.00 -1.49 0.43 0.50 0.00 0.00 0.00 175.76 175.20 1ywu s ARG 79 N 2.87 1.94 0.27 0.00 3.00 0.53 -5.00 118.95 122.56 1ywu s ARG 79 Ca 0.16 -2.90 0.00 0.00 -1.00 0.00 0.00 55.73 51.99 1ywu s ARG 79 Cb -0.13 -2.79 0.00 0.00 0.00 0.00 0.00 34.95 32.03 1ywu s ARG 79 CO -0.21 -1.30 0.00 -3.47 0.00 0.00 0.00 175.30 170.32 1ywu n ASP 80 N 2.35 0.00 -0.00 -2.12 -0.08 -1.26 -0.74 116.55 114.70 1ywu n ASP 80 Ca 0.21 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.50 1ywu n ASP 80 Cb 0.38 0.00 -0.01 0.00 2.34 0.00 0.00 41.12 43.84 1ywu n ASP 80 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1ywu n GLY 81 N 0.00 0.65 3.58 0.27 0.00 -1.26 -4.96 105.19 103.47 1ywu n GLY 81 Ca 0.00 -0.02 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.32 4.20 -0.19 0.99 1.43 0.08 -3.07 118.68 119.79 1ywu s LEU 82 Ca 0.00 0.27 -0.05 0.00 -1.03 0.00 0.00 54.13 53.32 1ywu s LEU 82 Cb 0.01 -2.88 -0.03 0.00 0.03 0.00 0.00 46.19 43.32 1ywu s LEU 82 CO 0.04 -0.62 0.01 -0.76 0.23 0.00 0.00 176.35 175.24 1ywu s LEU 83 N 2.83 3.34 -0.05 1.79 1.43 -0.03 -0.35 118.68 127.64 1ywu s LEU 83 Ca 0.27 -0.15 0.06 0.00 -1.03 0.00 0.00 54.13 53.28 1ywu s LEU 83 Cb -0.14 -1.84 -0.02 0.00 0.03 0.00 0.00 46.19 44.22 1ywu s LEU 83 CO 0.15 0.09 -0.24 -0.83 0.23 0.00 0.00 176.35 175.75 1ywu s GLY 84 N 0.83 1.32 0.03 -3.19 0.00 -0.98 -0.28 107.32 105.05 1ywu s GLY 84 Ca 0.01 -1.06 0.08 0.00 0.00 0.00 0.00 44.72 43.75 1ywu s GLY 84 CO 0.02 -0.73 -0.23 -1.36 0.00 0.00 0.00 173.10 170.79 1ywu s PHE 85 N -0.34 2.41 0.02 1.90 0.40 -0.20 -1.86 117.98 120.31 1ywu s PHE 85 Ca 0.02 -0.36 -0.11 0.00 -0.60 0.00 0.00 56.93 55.88 1ywu s PHE 85 Cb -0.12 -1.44 -0.05 0.00 0.51 0.00 0.00 43.02 41.92 1ywu s PHE 85 CO 0.02 0.15 0.36 -1.21 0.70 0.00 0.00 175.22 175.23 1ywu s GLU 86 N -1.20 3.76 -0.26 0.44 2.02 0.17 -2.28 118.70 121.35 1ywu s GLU 86 Ca 0.12 0.20 -0.29 0.00 0.02 0.00 0.00 54.97 55.02 1ywu s GLU 86 Cb -0.10 -3.11 -0.01 0.00 0.10 0.00 0.00 34.13 31.01 1ywu s GLU 86 CO 0.02 0.64 1.47 0.00 0.02 0.00 0.00 175.26 177.42 1ywu n GLN 88 N 7.53 0.65 -3.34 0.00 7.27 -0.61 -4.88 117.38 124.00 1ywu n GLN 88 Ca 0.17 0.25 -0.13 0.00 0.07 0.00 0.00 57.00 57.36 1ywu n GLN 88 Cb 0.46 -1.59 -0.07 0.00 2.41 0.00 0.00 30.24 31.45 1ywu n GLN 88 CO 0.00 0.00 0.00 -1.58 0.07 0.00 0.00 177.06 175.55 1ywu s HIS 89 N -2.51 -0.75 -0.33 3.69 5.04 0.10 -5.01 115.29 115.52 1ywu s HIS 89 Ca -0.32 0.03 -0.11 0.00 -1.54 0.00 0.00 55.06 53.11 1ywu s HIS 89 Cb 0.09 -0.29 -0.01 0.00 0.04 0.00 0.00 32.58 32.42 1ywu s HIS 89 CO 0.62 -0.96 0.20 0.42 -2.34 0.00 0.00 174.74 172.67 1ywu s ILE 90 N 2.36 4.90 0.48 0.89 1.01 -1.26 -0.41 121.20 129.17 1ywu s ILE 90 Ca 0.10 -0.40 -0.23 0.00 0.00 0.00 0.00 60.65 60.12 1ywu s ILE 90 Cb -0.13 -3.54 -0.07 0.00 0.01 0.00 0.00 42.46 38.73 1ywu s ILE 90 CO -0.29 -0.01 1.31 -1.81 0.00 0.00 0.00 174.94 174.14 1ywu s ASP 91 N 1.65 5.77 0.34 3.58 1.11 -1.25 -4.78 116.67 123.08 1ywu s ASP 91 Ca 0.05 2.66 0.05 0.00 0.18 0.00 0.00 52.55 55.49 1ywu s ASP 91 Cb -0.17 -2.63 0.70 0.00 1.07 0.00 0.00 42.92 41.89 1ywu s ASP 91 CO 0.08 -1.22 1.89 -0.07 1.18 0.00 0.00 175.17 177.03 1ywu h LEU 92 N 1.96 0.75 0.02 1.23 3.38 -1.97 0.49 115.31 121.16 1ywu h LEU 92 Ca -0.50 0.02 0.02 0.00 0.09 0.00 0.00 57.88 57.51 1ywu h LEU 92 Cb 1.27 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.86 1ywu h LEU 92 CO 0.59 0.43 -0.16 -0.78 0.09 0.00 0.00 178.44 178.62 1ywu h ASP 93 N 0.82 -0.45 -0.21 -0.43 3.58 -1.99 0.26 116.42 118.00 1ywu h ASP 93 Ca 0.41 0.06 -0.05 0.00 0.42 0.00 0.00 57.03 57.88 1ywu h ASP 93 Cb 0.47 0.18 -0.02 0.00 1.72 0.00 0.00 39.33 41.69 1ywu h ASP 93 CO -0.18 -0.22 -0.01 0.28 -2.88 0.00 0.00 179.24 176.24 1ywu h SER 94 N -0.27 0.46 -0.46 2.28 0.02 -1.33 -0.93 113.55 113.32 1ywu h SER 94 Ca 0.04 -0.09 -0.02 0.00 -0.84 0.00 0.00 61.79 60.88 1ywu h SER 94 Cb 0.32 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.72 1ywu h SER 94 CO -0.14 0.54 0.19 0.40 -1.14 0.00 0.00 176.83 176.69 1ywu h ILE 95 N 0.48 1.20 -0.68 3.27 2.04 -0.55 0.20 117.51 123.47 1ywu h ILE 95 Ca 0.10 -0.61 -0.03 0.00 1.00 0.00 0.00 64.86 65.32 1ywu h ILE 95 Cb 0.32 0.75 -0.03 0.00 -0.74 0.00 0.00 36.82 37.12 1ywu h ILE 95 CO 0.01 0.23 0.29 0.28 0.00 0.00 0.00 178.15 178.96 1ywu h SER 96 N 0.60 0.90 -0.27 1.72 0.02 -0.09 0.15 113.55 116.58 1ywu h SER 96 Ca 0.15 -0.11 -0.07 0.00 -0.84 0.00 0.00 61.79 60.92 1ywu h SER 96 Cb 0.18 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.48 1ywu h SER 96 CO -0.01 0.79 -0.10 0.45 -1.14 0.00 0.00 176.83 176.81 1ywu h HIS 97 N 0.98 0.62 -0.36 3.45 3.86 -0.94 -2.49 115.15 120.27 1ywu h HIS 97 Ca 0.23 -0.15 -0.01 0.00 -1.16 0.00 0.00 60.37 59.29 1ywu h HIS 97 Cb 0.15 -0.15 -0.02 0.00 1.06 0.00 0.00 27.41 28.46 1ywu h HIS 97 CO 0.01 0.78 0.19 1.25 0.86 0.00 0.00 177.93 181.02 1ywu h LEU 98 N 0.29 0.45 -0.41 2.43 7.12 -0.53 0.13 115.31 124.80 1ywu h LEU 98 Ca 0.06 -0.10 0.08 0.00 0.13 0.00 0.00 57.88 58.05 1ywu h LEU 98 Cb 0.60 -0.11 -0.07 0.00 -0.53 0.00 0.00 40.66 40.55 1ywu h LEU 98 CO 0.03 0.42 -0.01 -0.09 -0.13 0.00 0.00 178.44 178.66 1ywu h ARG 99 N 0.45 0.09 -0.30 1.25 9.65 -0.70 -0.65 114.38 124.17 1ywu h ARG 99 Ca 0.12 -0.01 -0.09 0.00 -1.10 0.00 0.00 59.98 58.91 1ywu h ARG 99 Cb 0.07 -0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 28.63 1ywu h ARG 99 CO -0.02 0.06 -0.17 -0.09 2.80 0.00 0.00 179.97 182.55 1ywu h ARG 100 N 0.09 0.64 0.07 0.20 9.65 -1.15 -2.70 114.38 121.19 1ywu h ARG 100 Ca 0.20 -0.29 0.01 0.00 -1.10 0.00 0.00 59.98 58.80 1ywu h ARG 100 Cb 0.29 -0.01 -0.02 0.00 -1.39 0.00 0.00 29.97 28.84 1ywu h ARG 100 CO -0.35 0.88 -0.14 1.25 2.80 0.00 0.00 179.97 184.41 1ywu h LEU 101 N 0.38 -0.38 0.24 3.80 5.85 -0.24 0.14 115.31 125.10 1ywu h LEU 101 Ca 0.06 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.82 1ywu h LEU 101 Cb 0.70 0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.88 1ywu h LEU 101 CO 0.05 -0.20 -0.11 0.58 -0.34 0.00 0.00 178.44 178.41 1ywu h VAL 102 N -0.27 0.79 -0.69 1.05 2.07 -1.19 -2.08 116.25 115.94 1ywu h VAL 102 Ca 0.02 -0.16 0.01 0.00 0.82 0.00 0.00 66.70 67.39 1ywu h VAL 102 Cb 0.29 0.89 -0.03 0.00 -1.52 0.00 0.00 31.29 30.91 1ywu h VAL 102 CO -0.08 0.04 0.46 -0.08 0.02 0.00 0.00 177.57 177.92 1ywu h GLU 103 N -0.40 0.90 -0.12 1.57 4.81 -1.37 0.21 114.58 120.18 1ywu h GLU 103 Ca -0.03 -0.05 -0.11 0.00 -0.13 0.00 0.00 59.36 59.03 1ywu h GLU 103 Cb 0.31 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.47 1ywu h GLU 103 CO 0.05 0.59 -0.41 1.25 -0.73 0.00 0.00 179.01 179.77 1ywu h LEU 104 N 0.93 0.28 -2.31 1.64 5.85 -0.54 -2.76 115.31 118.40 1ywu h LEU 104 Ca 0.26 -0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.86 1ywu h LEU 104 Cb -0.09 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 40.86 1ywu h LEU 104 CO -0.06 0.67 0.00 0.59 -0.34 0.00 0.00 178.44 179.30 1ywu n ASN 105 N -4.03 3.39 -1.34 1.25 3.02 -0.71 -4.91 115.26 111.93 1ywu n ASN 105 Ca -0.01 -2.05 -0.13 0.00 -0.03 0.00 0.00 54.58 52.36 1ywu n ASN 105 Cb 0.48 -0.43 -0.02 0.00 -0.61 0.00 0.00 39.78 39.21 1ywu n ASN 105 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 1ywu n LEU 106 N 1.25 -1.44 -4.57 3.41 7.94 -0.76 -4.92 117.00 117.91 1ywu n LEU 106 Ca 0.21 0.05 -0.40 0.00 -1.11 0.00 0.00 56.01 54.76 1ywu n LEU 106 Cb 0.55 -1.96 -0.03 0.00 0.53 0.00 0.00 43.42 42.51 1ywu n LEU 106 CO 0.15 -0.24 1.58 -0.83 -1.11 0.00 0.00 177.39 176.94 1ywu s GLY 107 N -2.52 0.46 -0.43 -3.96 0.00 0.67 -4.91 107.32 96.62 1ywu s GLY 107 Ca 0.00 -0.23 -0.45 0.00 0.00 0.00 0.00 44.72 44.04 1ywu s GLY 107 CO 0.00 3.36 1.68 1.34 0.00 0.00 0.00 173.10 179.47 1ywu n ASP 108 N 11.70 1.55 0.28 1.64 -0.08 -1.26 -4.58 116.55 125.81 1ywu n ASP 108 Ca 0.22 1.12 0.16 0.00 -1.51 0.00 0.00 54.79 54.79 1ywu n ASP 108 Cb 0.50 -0.96 0.83 0.00 2.34 0.00 0.00 41.12 43.83 1ywu n ASP 108 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 1ywu h GLU 109 N 5.94 0.00 0.00 -0.67 5.08 -1.97 -1.94 114.58 121.02 1ywu h GLU 109 Ca -0.43 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 57.92 1ywu h GLU 109 Cb 1.36 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.60 1ywu h GLU 109 CO 0.98 0.06 -0.06 0.93 -1.00 0.00 0.00 179.01 179.92 1ywu h GLU 110 N 0.00 0.00 -0.31 2.33 5.08 -1.96 0.16 114.58 119.87 1ywu h GLU 110 Ca -0.00 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 1ywu h GLU 110 Cb 0.32 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.55 1ywu h GLU 110 CO 0.01 0.06 0.02 -0.07 -1.00 0.00 0.00 179.01 178.03 1ywu h LEU 111 N 0.00 0.43 -0.02 1.33 3.38 -1.71 -2.05 115.31 116.66 1ywu h LEU 111 Ca -0.00 -0.07 -0.08 0.00 0.09 0.00 0.00 57.88 57.83 1ywu h LEU 111 Cb 0.31 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 1ywu h LEU 111 CO 0.01 0.48 -0.36 -0.07 0.09 0.00 0.00 178.44 178.59 1ywu h LEU 112 N 0.46 0.00 -2.55 1.67 3.38 -1.15 -3.30 115.31 113.82 1ywu h LEU 112 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1ywu h LEU 112 Cb 0.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 1ywu h LEU 112 CO 0.00 0.36 0.00 -0.62 0.09 0.00 0.00 178.44 178.27 1ywu n GLU 113 N -3.19 2.90 -0.09 1.13 1.02 -0.79 -3.70 120.64 117.91 1ywu n GLU 113 Ca 0.03 -2.41 0.00 0.00 -0.02 0.00 0.00 57.16 54.75 1ywu n GLU 113 Cb 0.67 -1.64 0.00 0.00 -0.02 0.00 0.00 31.44 30.45 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 1.21 0.18 -4.23 3.49 1.74 -1.08 -5.04 116.66 112.93 1ywu n ARG 114 Ca 0.22 0.00 -0.25 0.00 -0.77 0.00 0.00 57.85 57.05 1ywu n ARG 114 Cb 0.66 0.00 -0.07 0.00 -1.02 0.00 0.00 32.46 32.02 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 -2.66 2.38 0.33 5.56 -6.30 -1.26 -4.94 118.70 111.81 1ywu s GLU 115 Ca 0.00 -1.21 0.07 0.00 -2.50 0.00 0.00 54.97 51.32 1ywu s GLU 115 Cb 0.00 -2.30 0.74 0.00 0.00 0.00 0.00 34.13 32.58 1ywu s GLU 115 CO 0.00 0.42 1.83 1.25 0.02 0.00 0.00 175.26 178.78 1ywu h LEU 116 N 2.36 0.75 -0.44 2.70 5.85 -1.95 0.50 115.31 125.09 1ywu h LEU 116 Ca -0.46 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.32 1ywu h LEU 116 Cb 1.22 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.16 1ywu h LEU 116 CO 0.59 0.35 0.00 0.00 -0.34 0.00 0.00 178.44 179.04 1ywu n ALA 117 N -2.39 1.57 0.86 1.25 0.00 -1.26 -1.92 120.51 118.63 1ywu n ALA 117 Ca 0.20 0.04 0.09 0.00 0.00 0.00 0.00 53.44 53.77 1ywu n ALA 117 Cb 0.48 -1.30 -0.02 0.00 0.00 0.00 0.00 19.45 18.61 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 -1.90 1.67 -4.48 0.00 4.77 0.17 -4.83 117.00 112.39 1ywu n LEU 118 Ca 0.02 -0.72 -0.43 0.00 -0.03 0.00 0.00 56.01 54.86 1ywu n LEU 118 Cb 0.18 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.23 1ywu n LEU 118 CO 0.15 0.32 1.00 -0.76 -1.33 0.00 0.00 177.39 176.78 1ywu s LEU 119 N -2.38 4.35 0.18 2.23 1.02 -0.63 -4.84 118.68 118.61 1ywu s LEU 119 Ca 0.14 -1.40 -0.16 0.00 0.02 0.00 0.00 54.13 52.73 1ywu s LEU 119 Cb 0.15 -2.45 -0.07 0.00 0.02 0.00 0.00 46.19 43.84 1ywu s LEU 119 CO 0.54 -1.36 0.62 -0.69 0.02 0.00 0.00 176.35 175.48 1ywu s VAL 120 N 3.89 4.74 1.13 -1.59 1.01 -1.26 -5.02 120.40 123.31 1ywu s VAL 120 Ca 0.31 1.01 -0.15 0.00 0.00 0.00 0.00 61.98 63.16 1ywu s VAL 120 Cb -0.09 -3.78 0.26 0.00 0.00 0.00 0.00 36.38 32.77 1ywu s VAL 120 CO 0.00 0.22 1.06 -0.94 0.00 0.00 0.00 175.10 175.44 1ywu s SER 121 N -1.70 1.40 0.29 3.32 1.04 -1.26 -4.90 113.70 111.89 1ywu s SER 121 Ca 0.40 1.14 0.04 0.00 0.48 0.00 0.00 55.95 58.00 1ywu s SER 121 Cb -0.16 -1.75 0.74 0.00 0.10 0.00 0.00 66.02 64.95 1ywu s SER 121 CO 0.20 -3.89 1.67 0.00 0.98 0.00 0.00 173.24 172.20 1ywu h ALA 122 N -2.41 1.38 -1.76 5.32 0.00 -1.97 -3.24 119.26 116.59 1ywu h ALA 122 Ca -0.55 0.20 -0.65 0.00 0.00 0.00 0.00 54.91 53.90 1ywu h ALA 122 Cb 1.33 0.24 -0.16 0.00 0.00 0.00 0.00 17.79 19.20 1ywu h ALA 122 CO 0.49 -0.43 0.54 -3.38 0.00 0.00 0.00 179.25 176.48 1ywu s HIS 123 N -5.90 2.83 -0.21 0.00 0.00 -1.26 -5.02 115.29 105.74 1ywu s HIS 123 Ca -0.12 -0.81 -0.16 0.00 -3.00 0.00 0.00 55.06 50.98 1ywu s HIS 123 Cb 0.26 -4.25 -0.04 0.00 -4.00 0.00 0.00 32.58 24.55 1ywu s HIS 123 CO 0.77 -1.56 0.39 0.16 -1.00 0.00 0.00 174.74 173.50 1ywu s ASP 124 N 3.67 6.41 0.00 7.38 -4.77 -1.23 -5.10 116.67 123.04 1ywu s ASP 124 Ca 0.23 0.49 0.00 0.00 -3.30 0.00 0.00 52.55 49.96 1ywu s ASP 124 Cb -0.15 -2.23 0.00 0.00 -1.09 0.00 0.00 42.92 39.45 1ywu s ASP 124 CO 0.05 -0.08 0.00 -0.67 0.70 0.00 0.00 175.17 175.17