#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dgu h LYS 2 N 0.00 0.43 -6.80 1.43 1.63 -1.95 -3.43 116.57 107.88 1dgu h LYS 2 Ca 0.00 -0.28 -0.48 0.00 -0.85 0.00 0.00 60.65 59.03 1dgu h LYS 2 Cb 0.00 0.04 -0.02 0.00 -0.60 0.00 0.00 32.23 31.64 1dgu h LYS 2 CO 0.00 0.89 0.15 -1.83 -3.45 0.00 0.00 179.45 175.21 1dgu s GLU 3 N -3.89 4.03 -0.97 1.90 4.04 -1.26 -5.06 118.70 117.50 1dgu s GLU 3 Ca -0.06 0.75 -0.02 0.00 0.04 0.00 0.00 54.97 55.68 1dgu s GLU 3 Cb 0.11 -2.38 0.29 0.00 0.02 0.00 0.00 34.13 32.17 1dgu s GLU 3 CO 0.82 0.10 1.23 1.28 -1.84 0.00 0.00 175.26 176.86 1dgu n LEU 4 N -0.49 5.57 0.17 1.83 4.77 -1.26 -4.74 117.00 122.85 1dgu n LEU 4 Ca 0.04 -5.25 0.00 0.00 -0.03 0.00 0.00 56.01 50.77 1dgu n LEU 4 Cb 0.53 -1.14 0.00 0.00 -2.33 0.00 0.00 43.42 40.49 1dgu n LEU 4 CO 0.41 1.74 0.00 -0.11 -1.33 0.00 0.00 177.39 178.10 1dgu n LEU 5 N 1.40 -1.58 -4.54 2.23 0.00 -1.26 -5.09 117.00 108.16 1dgu n LEU 5 Ca 0.26 0.63 -0.41 0.00 0.00 0.00 0.00 56.01 56.49 1dgu n LEU 5 Cb 0.36 1.62 -0.03 0.00 0.00 0.00 0.00 43.42 45.37 1dgu n LEU 5 CO 0.60 -0.41 1.32 0.00 0.00 0.00 0.00 177.39 178.91 1dgu s ALA 6 N -2.00 2.79 -1.03 1.96 0.00 -1.26 -4.58 121.76 117.64 1dgu s ALA 6 Ca 0.00 -2.04 -0.12 0.00 0.00 0.00 0.00 51.96 49.80 1dgu s ALA 6 Cb 0.00 -4.39 -0.03 0.00 0.00 0.00 0.00 23.12 18.70 1dgu s ALA 6 CO 0.00 -3.44 0.81 -1.91 0.00 0.00 0.00 175.76 171.22 1dgu n GLU 7 N 8.78 -1.59 -2.79 0.00 2.13 -1.26 -4.95 120.64 120.96 1dgu n GLU 7 Ca 0.23 0.77 -0.43 0.00 0.66 0.00 0.00 57.16 58.39 1dgu n GLU 7 Cb 0.50 -4.82 -0.03 0.00 0.27 0.00 0.00 31.44 27.37 1dgu n GLU 7 CO 0.00 0.00 0.00 0.71 -0.41 0.00 0.00 177.13 177.43 1dgu s TYR 8 N -3.33 2.86 -1.07 4.31 2.02 -1.26 -4.97 117.35 115.91 1dgu s TYR 8 Ca 0.37 -1.09 -0.23 0.00 -0.37 0.00 0.00 57.07 55.75 1dgu s TYR 8 Cb -0.10 -4.43 -0.01 0.00 -0.40 0.00 0.00 41.96 37.03 1dgu s TYR 8 CO 0.81 -1.66 1.78 -1.14 -1.57 0.00 0.00 175.55 173.77 1dgu s GLN 9 N 3.63 3.05 -0.50 -0.62 0.74 -1.26 -4.86 119.66 119.83 1dgu s GLN 9 Ca 0.36 -1.00 0.06 0.00 0.05 0.00 0.00 55.36 54.82 1dgu s GLN 9 Cb -0.05 -5.26 0.21 0.00 1.10 0.00 0.00 33.01 29.01 1dgu s GLN 9 CO -0.07 -3.04 0.49 -0.25 -0.55 0.00 0.00 175.29 171.88 1dgu n ASP 10 N 11.84 1.14 -4.56 6.67 9.92 -1.26 -4.92 116.55 135.38 1dgu n ASP 10 Ca 0.41 -2.82 -0.36 0.00 -0.53 0.00 0.00 54.79 51.50 1dgu n ASP 10 Cb 0.48 -0.64 -0.04 0.00 -0.64 0.00 0.00 41.12 40.28 1dgu n ASP 10 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1dgu s LEU 11 N -1.04 3.38 0.03 0.64 1.43 -1.26 -4.93 118.68 116.93 1dgu s LEU 11 Ca 0.33 -1.17 -0.02 0.00 -1.03 0.00 0.00 54.13 52.24 1dgu s LEU 11 Cb 0.08 -2.57 -0.02 0.00 0.03 0.00 0.00 46.19 43.71 1dgu s LEU 11 CO -0.14 -1.96 0.00 0.42 0.23 0.00 0.00 176.35 174.91 1dgu s THR 12 N 6.82 0.15 -0.13 5.49 -4.23 -1.26 -5.04 115.64 117.44 1dgu s THR 12 Ca 0.55 -1.26 0.01 0.00 -1.18 0.00 0.00 61.69 59.80 1dgu s THR 12 Cb -0.02 -0.84 0.11 0.00 1.34 0.00 0.00 72.50 73.08 1dgu s THR 12 CO -0.07 -0.70 1.11 0.49 -0.54 0.00 0.00 174.62 174.91 1dgu n PHE 13 N 0.89 0.46 -4.07 3.99 3.72 -1.26 -4.83 117.46 116.36 1dgu n PHE 13 Ca -0.19 -0.66 -0.33 0.00 -0.05 0.00 0.00 57.45 56.21 1dgu n PHE 13 Cb 0.58 -0.34 -0.16 0.00 -0.94 0.00 0.00 39.48 38.62 1dgu n PHE 13 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1dgu s LEU 14 N -0.50 2.32 1.00 4.37 2.01 -1.26 -4.97 118.68 121.65 1dgu s LEU 14 Ca 0.09 -0.59 -0.12 0.00 0.01 0.00 0.00 54.13 53.52 1dgu s LEU 14 Cb 0.07 -1.54 0.19 0.00 0.01 0.00 0.00 46.19 44.92 1dgu s LEU 14 CO 0.02 -0.00 1.09 0.42 1.01 0.00 0.00 176.35 178.88 1dgu s THR 15 N 1.33 2.14 0.31 5.49 -4.23 -1.26 -4.70 115.64 114.72 1dgu s THR 15 Ca 0.05 0.04 0.08 0.00 -1.18 0.00 0.00 61.69 60.68 1dgu s THR 15 Cb -0.13 -2.51 0.31 0.00 1.34 0.00 0.00 72.50 71.50 1dgu s THR 15 CO -0.11 -0.06 1.71 0.11 -0.54 0.00 0.00 174.62 175.73 1dgu h LYS 16 N -1.90 0.46 -0.09 3.99 1.57 -2.00 -2.08 116.57 116.52 1dgu h LYS 16 Ca -0.54 -0.03 -0.20 0.00 -1.87 0.00 0.00 60.65 58.01 1dgu h LYS 16 Cb 1.32 -0.10 0.01 0.00 0.08 0.00 0.00 32.23 33.54 1dgu h LYS 16 CO 0.57 0.30 -0.74 0.37 -0.57 0.00 0.00 179.45 179.38 1dgu h GLN 17 N 0.47 0.66 -0.72 3.15 5.75 -1.99 -2.72 115.11 119.72 1dgu h GLN 17 Ca 0.62 -0.59 0.07 0.00 -0.15 0.00 0.00 58.65 58.60 1dgu h GLN 17 Cb 1.22 0.14 -0.06 0.00 1.07 0.00 0.00 27.48 29.85 1dgu h GLN 17 CO -0.52 1.20 0.40 0.93 -2.65 0.00 0.00 178.83 178.20 1dgu h GLU 18 N 0.33 0.69 -0.15 1.69 5.08 -1.81 -0.07 114.58 120.35 1dgu h GLU 18 Ca -0.07 -0.04 0.03 0.00 -1.00 0.00 0.00 59.36 58.29 1dgu h GLU 18 Cb 1.39 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 30.45 1dgu h GLU 18 CO 0.15 0.46 -0.07 0.82 -1.00 0.00 0.00 179.01 179.37 1dgu h ILE 19 N 0.71 0.77 -0.31 3.13 2.04 -1.50 -0.90 117.51 121.45 1dgu h ILE 19 Ca 0.33 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.22 1dgu h ILE 19 Cb 0.25 0.77 -0.03 0.00 -0.74 0.00 0.00 36.82 37.07 1dgu h ILE 19 CO -0.21 0.00 0.13 0.25 0.00 0.00 0.00 178.15 178.33 1dgu h LEU 20 N -0.05 0.18 0.10 1.44 5.85 -1.13 0.23 115.31 121.93 1dgu h LEU 20 Ca 0.08 0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.84 1dgu h LEU 20 Cb 0.17 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.17 1dgu h LEU 20 CO -0.18 0.14 -0.21 -0.07 -0.34 0.00 0.00 178.44 177.78 1dgu h LEU 21 N 0.29 -0.59 -0.90 2.25 3.38 -1.04 -1.53 115.31 117.17 1dgu h LEU 21 Ca 0.13 0.07 0.13 0.00 0.09 0.00 0.00 57.88 58.31 1dgu h LEU 21 Cb 0.08 0.22 -0.09 0.00 0.09 0.00 0.00 40.66 40.96 1dgu h LEU 21 CO -0.11 -0.29 0.52 0.00 0.09 0.00 0.00 178.44 178.64 1dgu h ALA 22 N 0.42 1.36 -0.81 1.53 0.00 -1.12 -1.62 119.26 119.02 1dgu h ALA 22 Ca 0.03 0.06 0.05 0.00 0.00 0.00 0.00 54.91 55.05 1dgu h ALA 22 Cb 0.41 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.05 1dgu h ALA 22 CO -0.12 0.04 0.50 1.25 0.00 0.00 0.00 179.25 180.91 1dgu h HIS 23 N 0.78 0.92 -0.69 0.00 -0.00 -0.38 -0.39 115.15 115.39 1dgu h HIS 23 Ca 0.47 0.03 -0.02 0.00 -0.00 0.00 0.00 60.37 60.85 1dgu h HIS 23 Cb 0.57 -0.30 -0.03 0.00 -0.00 0.00 0.00 27.41 27.65 1dgu h HIS 23 CO -0.05 0.48 0.37 0.00 -0.00 0.00 0.00 177.93 178.72 1dgu h ARG 24 N 0.92 0.97 0.35 5.26 3.08 -0.84 -0.04 114.38 124.08 1dgu h ARG 24 Ca 0.35 -0.12 -0.00 0.00 0.07 0.00 0.00 59.98 60.28 1dgu h ARG 24 Cb 0.14 -0.19 -0.03 0.00 0.08 0.00 0.00 29.97 29.98 1dgu h ARG 24 CO -0.16 0.74 -0.38 0.00 -1.07 0.00 0.00 179.97 179.10 1dgu h ARG 25 N 0.95 -0.73 -0.98 0.04 -0.00 -1.15 -1.96 114.38 110.54 1dgu h ARG 25 Ca 0.24 0.05 0.25 0.00 -0.50 0.00 0.00 59.98 60.02 1dgu h ARG 25 Cb 0.06 0.17 -0.13 0.00 0.00 0.00 0.00 29.97 30.07 1dgu h ARG 25 CO -0.04 -0.49 0.55 0.35 0.00 0.00 0.00 179.97 180.34 1dgu h PHE 26 N -0.76 0.93 0.08 3.04 3.57 -1.07 -0.89 116.94 121.84 1dgu h PHE 26 Ca -0.02 0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.51 1dgu h PHE 26 Cb 0.69 -0.26 0.00 0.00 2.79 0.00 0.00 35.95 39.18 1dgu h PHE 26 CO -0.23 0.02 -0.04 0.00 -2.23 0.00 0.00 178.31 175.83 1dgu h GLU 28 N -0.23 0.57 -0.48 0.00 5.08 -1.15 -2.74 114.58 115.63 1dgu h GLU 28 Ca -0.01 -0.03 0.07 0.00 -1.00 0.00 0.00 59.36 58.38 1dgu h GLU 28 Cb 0.19 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.29 1dgu h GLU 28 CO 0.02 0.38 0.33 -0.07 -1.00 0.00 0.00 179.01 178.66 1dgu h LEU 29 N 0.59 0.32 -0.24 1.33 4.07 -1.15 -3.39 115.31 116.85 1dgu h LEU 29 Ca 0.32 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 58.26 1dgu h LEU 29 Cb 0.30 -0.07 -0.01 0.00 1.08 0.00 0.00 40.66 41.96 1dgu h LEU 29 CO -0.24 0.20 0.05 -0.07 -1.08 0.00 0.00 178.44 177.31 1dgu h LEU 30 N 0.36 0.36 -7.60 1.67 3.38 -0.72 -3.45 115.31 109.31 1dgu h LEU 30 Ca 0.21 -0.24 -0.74 0.00 0.09 0.00 0.00 57.88 57.20 1dgu h LEU 30 Cb 0.38 -0.10 -0.31 0.00 0.09 0.00 0.00 40.66 40.72 1dgu h LEU 30 CO -0.05 0.51 -0.05 -2.16 0.09 0.00 0.00 178.44 176.78 1dgu s PRO 31 N -5.25 3.28 0.20 1.13 0.04 -1.26 -4.65 135.00 128.48 1dgu s PRO 31 Ca -0.14 -2.75 0.00 0.00 0.04 0.00 0.00 61.00 58.15 1dgu s PRO 31 Cb 0.07 -4.12 0.00 0.00 0.04 0.00 0.00 34.50 30.49 1dgu s PRO 31 CO 0.73 -1.24 0.00 0.94 0.04 0.00 0.00 177.00 177.47 1dgu n GLN 32 N 3.31 0.00 -0.13 4.56 7.27 -1.26 -4.64 117.38 126.49 1dgu n GLN 32 Ca 0.15 0.00 -0.08 0.00 0.07 0.00 0.00 57.00 57.13 1dgu n GLN 32 Cb 0.41 -0.16 -0.00 0.00 2.41 0.00 0.00 30.24 32.90 1dgu n GLN 32 CO 0.00 0.00 0.00 0.93 0.07 0.00 0.00 177.06 178.06 1dgu h GLU 33 N 0.00 0.55 -4.19 3.69 3.07 -1.98 -3.03 114.58 112.69 1dgu h GLU 33 Ca 0.00 -0.06 -0.76 0.00 -0.50 0.00 0.00 59.36 58.04 1dgu h GLU 33 Cb 0.04 -0.11 -0.23 0.00 -0.84 0.00 0.00 28.75 27.61 1dgu h GLU 33 CO 0.00 0.44 0.37 1.14 -1.40 0.00 0.00 179.01 179.55 1dgu s GLN 34 N -5.89 3.65 -0.01 2.33 -2.07 -1.26 -5.01 119.66 111.40 1dgu s GLN 34 Ca -0.13 -2.31 -0.22 0.00 -1.82 0.00 0.00 55.36 50.88 1dgu s GLN 34 Cb 0.10 -4.60 -0.13 0.00 -1.09 0.00 0.00 33.01 27.30 1dgu s GLN 34 CO 0.73 -1.44 0.95 -0.09 -1.32 0.00 0.00 175.29 174.12 1dgu h ARG 35 N 8.00 -0.66 0.00 9.60 9.65 -1.79 -3.40 114.38 135.77 1dgu h ARG 35 Ca 0.13 0.05 -0.10 0.00 -1.10 0.00 0.00 59.98 58.96 1dgu h ARG 35 Cb 1.02 0.15 -0.02 0.00 -1.39 0.00 0.00 29.97 29.74 1dgu h ARG 35 CO 0.88 -0.39 -1.31 0.45 2.80 0.00 0.00 179.97 182.40 1dgu n SER 36 N -5.25 1.90 -4.63 -3.80 2.88 -1.26 -4.69 113.62 98.77 1dgu n SER 36 Ca -0.10 0.32 -0.43 0.00 -1.33 0.00 0.00 58.87 57.34 1dgu n SER 36 Cb 0.30 -0.74 -0.02 0.00 -0.75 0.00 0.00 64.21 62.99 1dgu n SER 36 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 1dgu s VAL 37 N -2.79 4.53 -1.15 2.46 -7.23 -1.26 -4.99 120.40 109.97 1dgu s VAL 37 Ca -0.30 1.60 -0.17 0.00 -1.81 0.00 0.00 61.98 61.29 1dgu s VAL 37 Cb 0.06 -4.39 0.12 0.00 0.56 0.00 0.00 36.38 32.73 1dgu s VAL 37 CO 0.43 -0.49 1.46 -1.61 -0.31 0.00 0.00 175.10 174.58 1dgu s GLU 38 N 3.60 3.89 -0.21 4.82 0.41 -1.26 -4.84 118.70 125.10 1dgu s GLU 38 Ca 0.43 -2.03 -0.18 0.00 -0.41 0.00 0.00 54.97 52.78 1dgu s GLU 38 Cb -0.12 -5.21 -0.19 0.00 -1.78 0.00 0.00 34.13 26.83 1dgu s GLU 38 CO 0.16 -1.97 0.12 -1.13 -0.49 0.00 0.00 175.26 171.95 1dgu n SER 39 N 7.09 1.91 -4.44 -0.19 3.41 -1.26 -4.77 113.62 115.37 1dgu n SER 39 Ca 0.37 0.37 -0.44 0.00 -0.26 0.00 0.00 58.87 58.91 1dgu n SER 39 Cb 0.46 -0.92 -0.03 0.00 -0.26 0.00 0.00 64.21 63.47 1dgu n SER 39 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1dgu s SER 40 N -6.98 6.61 -0.00 4.04 1.04 -1.26 -4.96 113.70 112.19 1dgu s SER 40 Ca -0.30 -2.03 -0.00 0.00 0.48 0.00 0.00 55.95 54.10 1dgu s SER 40 Cb 0.08 -2.39 -0.00 0.00 0.10 0.00 0.00 66.02 63.81 1dgu s SER 40 CO 0.60 -1.05 0.20 -0.07 0.98 0.00 0.00 173.24 173.90 1dgu h LEU 41 N 10.28 -0.00 -5.58 2.42 4.07 -1.87 -3.07 115.31 121.55 1dgu h LEU 41 Ca 0.13 0.00 -0.70 0.00 0.08 0.00 0.00 57.88 57.39 1dgu h LEU 41 Cb 1.03 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.75 1dgu h LEU 41 CO 1.09 0.00 3.38 0.54 -1.08 0.00 0.00 178.44 182.37 1dgu n ARG 42 N -2.04 3.30 0.13 1.13 1.74 -1.26 -3.65 116.66 116.02 1dgu n ARG 42 Ca -0.00 -2.50 0.00 0.00 -0.77 0.00 0.00 57.85 54.58 1dgu n ARG 42 Cb 0.00 -3.05 0.00 0.00 -1.02 0.00 0.00 32.46 28.39 1dgu n ARG 42 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1dgu n ALA 43 N 4.80 0.00 -2.68 7.54 0.00 -1.26 -4.87 120.51 124.04 1dgu n ALA 43 Ca 0.63 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.67 1dgu n ALA 43 Cb 0.32 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.72 1dgu n ALA 43 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1dgu s GLN 44 N -2.00 4.32 -0.25 0.00 -0.21 -1.16 -1.12 119.66 119.24 1dgu s GLN 44 Ca 0.00 0.90 -0.12 0.00 0.02 0.00 0.00 55.36 56.16 1dgu s GLN 44 Cb 0.00 -3.54 -0.05 0.00 1.00 0.00 0.00 33.01 30.42 1dgu s GLN 44 CO 0.00 -0.21 0.21 0.08 -2.12 0.00 0.00 175.29 173.25 1dgu s VAL 45 N 1.75 5.32 0.50 1.09 1.01 -0.61 -4.54 120.40 124.91 1dgu s VAL 45 Ca 0.36 0.27 0.01 0.00 0.00 0.00 0.00 61.98 62.62 1dgu s VAL 45 Cb -0.17 -3.55 0.02 0.00 0.00 0.00 0.00 36.38 32.68 1dgu s VAL 45 CO 0.14 0.30 0.72 -2.16 0.00 0.00 0.00 175.10 174.09 1dgu s PRO 46 N 1.30 2.76 0.34 2.72 0.04 -1.26 -0.85 135.00 140.05 1dgu s PRO 46 Ca 0.09 -0.71 0.07 0.00 0.04 0.00 0.00 61.00 60.49 1dgu s PRO 46 Cb -0.14 -2.54 0.76 0.00 0.04 0.00 0.00 34.50 32.62 1dgu s PRO 46 CO 0.07 -0.50 1.86 0.27 0.04 0.00 0.00 177.00 178.73 1dgu h PHE 47 N 0.25 0.90 -0.69 0.56 -5.15 -1.97 -1.43 116.94 109.41 1dgu h PHE 47 Ca -0.43 0.03 0.14 0.00 -0.20 0.00 0.00 57.97 57.50 1dgu h PHE 47 Cb 1.28 -0.28 -0.10 0.00 0.22 0.00 0.00 35.95 37.06 1dgu h PHE 47 CO 0.40 0.33 0.16 0.93 -2.00 0.00 0.00 178.31 178.13 1dgu h GLU 48 N 0.75 0.26 -0.03 6.09 5.08 -1.97 0.13 114.58 124.90 1dgu h GLU 48 Ca 0.47 -0.02 -0.17 0.00 -1.00 0.00 0.00 59.36 58.64 1dgu h GLU 48 Cb 0.69 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.87 1dgu h GLU 48 CO -0.23 0.17 -0.75 0.37 -1.00 0.00 0.00 179.01 177.57 1dgu h GLN 49 N 0.27 0.19 0.18 2.33 5.75 -1.75 -2.21 115.11 119.87 1dgu h GLN 49 Ca 0.38 -0.17 -0.01 0.00 -0.15 0.00 0.00 58.65 58.70 1dgu h GLN 49 Cb 0.62 0.04 0.00 0.00 1.07 0.00 0.00 27.48 29.21 1dgu h GLN 49 CO -0.48 0.85 -0.09 0.82 -2.65 0.00 0.00 178.83 177.29 1dgu h ILE 50 N 0.12 0.91 0.00 2.39 1.08 -1.17 -3.15 117.51 117.69 1dgu h ILE 50 Ca -0.02 -0.51 0.00 0.00 -0.39 0.00 0.00 64.86 63.94 1dgu h ILE 50 Cb 1.32 1.22 0.00 0.00 -3.07 0.00 0.00 36.82 36.29 1dgu h ILE 50 CO 0.11 0.12 0.29 0.25 -0.69 0.00 0.00 178.15 178.23 1dgu h LEU 51 N -0.49 0.00 -1.08 1.44 6.46 -0.81 -3.26 115.31 117.57 1dgu h LEU 51 Ca -0.02 0.00 0.13 0.00 -0.12 0.00 0.00 57.88 57.86 1dgu h LEU 51 Cb 0.38 0.00 -0.08 0.00 -0.73 0.00 0.00 40.66 40.22 1dgu h LEU 51 CO 0.04 0.00 0.62 -1.28 -0.62 0.00 0.00 178.44 177.20 1dgu h SER 52 N 0.00 0.85 -3.15 1.25 0.87 -1.35 -3.46 113.55 108.57 1dgu h SER 52 Ca 0.00 0.05 -0.59 0.00 -1.23 0.00 0.00 61.79 60.02 1dgu h SER 52 Cb 0.58 -0.12 -0.04 0.00 -0.44 0.00 0.00 62.40 62.38 1dgu h SER 52 CO 0.00 0.44 -0.22 -1.48 -0.53 0.00 0.00 176.83 175.04 1dgu s LEU 53 N -10.13 4.34 0.00 2.23 2.34 -1.23 -5.07 118.68 111.16 1dgu s LEU 53 Ca -0.11 0.83 0.00 0.00 0.06 0.00 0.00 54.13 54.90 1dgu s LEU 53 Cb 0.22 -3.05 0.00 0.00 -0.56 0.00 0.00 46.19 42.81 1dgu s LEU 53 CO 0.80 0.15 0.32 -2.65 -1.06 0.00 0.00 176.35 173.92 1dgu n PRO 54 N 0.84 0.00 -0.27 1.48 -0.02 -1.26 -2.70 135.00 133.07 1dgu n PRO 54 Ca -0.07 0.32 -0.04 0.00 -2.02 0.00 0.00 63.50 61.69 1dgu n PRO 54 Cb 0.52 -0.49 0.05 0.00 -0.02 0.00 0.00 33.50 33.57 1dgu n PRO 54 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1dgu n GLU 55 N -2.26 1.44 -2.48 -0.52 2.13 -1.26 -4.24 120.64 113.45 1dgu n GLU 55 Ca 0.00 -0.72 -0.32 0.00 0.66 0.00 0.00 57.16 56.78 1dgu n GLU 55 Cb 0.00 -1.37 0.00 0.00 0.27 0.00 0.00 31.44 30.34 1dgu n GLU 55 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 1dgu n LEU 56 N 0.12 5.79 0.00 4.31 4.32 -1.10 -4.69 117.00 125.75 1dgu n LEU 56 Ca 0.12 -5.27 0.00 0.00 -0.02 0.00 0.00 56.01 50.85 1dgu n LEU 56 Cb 0.71 -0.75 0.00 0.00 -1.62 0.00 0.00 43.42 41.76 1dgu n LEU 56 CO 0.13 2.12 0.00 0.29 -1.22 0.00 0.00 177.39 178.71 1dgu n LYS 57 N -0.37 0.00 -1.72 3.23 4.76 -1.26 -4.62 118.16 118.18 1dgu n LYS 57 Ca 0.42 0.00 -0.33 0.00 -2.87 0.00 0.00 58.31 55.53 1dgu n LYS 57 Cb 0.43 0.00 -0.03 0.00 -1.84 0.00 0.00 35.03 33.58 1dgu n LYS 57 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1dgu n ALA 58 N -1.79 6.66 -3.73 7.82 0.00 -1.26 -4.73 120.51 123.48 1dgu n ALA 58 Ca 0.00 -3.53 -0.36 0.00 0.00 0.00 0.00 53.44 49.54 1dgu n ALA 58 Cb 0.00 -2.50 -0.10 0.00 0.00 0.00 0.00 19.45 16.85 1dgu n ALA 58 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1dgu s ASN 59 N 0.47 5.24 0.66 0.00 2.47 -1.26 -5.02 114.94 117.50 1dgu s ASN 59 Ca 0.57 -2.65 0.38 0.00 0.42 0.00 0.00 52.86 51.58 1dgu s ASN 59 Cb 0.28 -1.85 2.08 0.00 -1.45 0.00 0.00 41.25 40.30 1dgu s ASN 59 CO -0.15 -0.41 2.17 1.55 -3.72 0.00 0.00 177.10 176.54 1dgu h PRO 60 N 7.28 0.00 -0.23 0.43 0.13 -1.85 -2.32 132.00 135.44 1dgu h PRO 60 Ca -0.05 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.08 1dgu h PRO 60 Cb 0.98 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.11 1dgu h PRO 60 CO 0.71 0.00 0.00 1.19 -0.23 0.00 0.00 178.00 179.67 1dgu n PHE 61 N -2.97 0.29 -0.18 1.56 3.72 -1.26 -4.63 117.46 113.98 1dgu n PHE 61 Ca -0.03 -0.14 -0.09 0.00 -0.05 0.00 0.00 57.45 57.14 1dgu n PHE 61 Cb 0.20 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 38.75 1dgu n PHE 61 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 1dgu h LYS 62 N 2.62 0.80 -0.20 -1.08 1.79 -1.83 -0.11 116.57 118.55 1dgu h LYS 62 Ca 0.00 -0.17 -0.06 0.00 -2.18 0.00 0.00 60.65 58.23 1dgu h LYS 62 Cb 0.58 -0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 31.10 1dgu h LYS 62 CO 0.00 0.74 -0.16 1.49 -1.08 0.00 0.00 179.45 180.44 1dgu h GLU 63 N 0.70 0.34 0.06 3.15 4.57 -1.85 -2.27 114.58 119.28 1dgu h GLU 63 Ca 0.16 -0.09 -0.00 0.00 -1.18 0.00 0.00 59.36 58.25 1dgu h GLU 63 Cb 0.28 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 28.83 1dgu h GLU 63 CO -0.00 0.50 -0.03 0.00 -1.18 0.00 0.00 179.01 178.30 1dgu h ARG 64 N 0.32 -0.08 -0.07 1.92 2.47 -1.78 -2.14 114.38 115.01 1dgu h ARG 64 Ca 0.06 0.01 0.04 0.00 -1.26 0.00 0.00 59.98 58.82 1dgu h ARG 64 Cb 0.47 0.02 -0.06 0.00 -1.65 0.00 0.00 29.97 28.75 1dgu h ARG 64 CO 0.03 0.05 -0.35 0.82 0.56 0.00 0.00 179.97 181.07 1dgu h ILE 65 N -0.19 0.24 -0.81 2.04 2.04 -1.03 -1.56 117.51 118.24 1dgu h ILE 65 Ca -0.01 0.00 0.16 0.00 1.00 0.00 0.00 64.86 66.01 1dgu h ILE 65 Cb 0.17 0.24 -0.15 0.00 -0.74 0.00 0.00 36.82 36.34 1dgu h ILE 65 CO 0.01 0.00 -0.24 0.00 0.00 0.00 0.00 178.15 177.93 1dgu h ARG 67 N -0.02 1.05 -0.38 0.00 3.08 -1.01 -2.42 114.38 114.68 1dgu h ARG 67 Ca 0.37 -0.27 -0.06 0.00 0.07 0.00 0.00 59.98 60.09 1dgu h ARG 67 Cb 0.60 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.51 1dgu h ARG 67 CO -0.84 0.97 -0.01 0.28 -1.07 0.00 0.00 179.97 179.29 1dgu h VAL 68 N 0.97 1.26 -0.30 2.04 2.07 -1.15 -2.61 116.25 118.53 1dgu h VAL 68 Ca 0.20 -1.02 0.07 0.00 0.82 0.00 0.00 66.70 66.77 1dgu h VAL 68 Cb 0.41 1.17 -0.08 0.00 -1.52 0.00 0.00 31.29 31.27 1dgu h VAL 68 CO 0.01 0.34 -0.23 -0.26 0.02 0.00 0.00 177.57 177.45 1dgu h PHE 69 N 0.50 -0.60 0.00 1.57 0.04 -1.21 -3.44 116.94 113.81 1dgu h PHE 69 Ca 0.11 0.04 0.00 0.00 2.80 0.00 0.00 57.97 60.92 1dgu h PHE 69 Cb 0.48 0.31 0.00 0.00 2.20 0.00 0.00 35.95 38.94 1dgu h PHE 69 CO 0.04 -0.30 0.00 0.45 -0.60 0.00 0.00 178.31 177.89 1dgu n SER 70 N -5.38 0.08 -0.03 2.17 2.88 -0.92 -4.75 113.62 107.68 1dgu n SER 70 Ca 0.00 0.02 -0.02 0.00 -1.33 0.00 0.00 58.87 57.54 1dgu n SER 70 Cb 0.29 -0.02 -0.01 0.00 -0.75 0.00 0.00 64.21 63.73 1dgu n SER 70 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 1dgu h THR 71 N 0.00 0.00 0.00 2.46 2.02 -1.57 -3.48 112.91 112.34 1dgu h THR 71 Ca 0.00 -0.48 0.00 0.00 0.77 0.00 0.00 66.41 66.70 1dgu h THR 71 Cb 0.00 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.41 1dgu h THR 71 CO 0.00 0.00 0.00 -1.54 0.37 0.00 0.00 175.52 174.35 1dgu n SER 72 N -3.39 0.00 -4.82 4.18 3.41 -1.26 -4.76 113.62 106.99 1dgu n SER 72 Ca -0.03 0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.27 1dgu n SER 72 Cb 0.12 0.00 0.07 0.00 -0.26 0.00 0.00 64.21 64.14 1dgu n SER 72 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 1dgu s PRO 73 N 0.00 2.49 0.22 4.33 0.04 -1.26 -5.03 135.00 135.78 1dgu s PRO 73 Ca 0.00 0.75 -0.30 0.00 0.04 0.00 0.00 61.00 61.49 1dgu s PRO 73 Cb 0.00 -1.96 -0.09 0.00 0.04 0.00 0.00 34.50 32.49 1dgu s PRO 73 CO 0.00 -1.37 1.32 0.00 0.04 0.00 0.00 177.00 176.99 1dgu s ALA 74 N -3.13 3.53 0.00 8.56 0.00 -1.26 -3.90 121.76 125.56 1dgu s ALA 74 Ca 0.59 1.14 0.00 0.00 0.00 0.00 0.00 51.96 53.69 1dgu s ALA 74 Cb -0.14 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 19.50 1dgu s ALA 74 CO 0.54 -0.56 0.00 1.63 0.00 0.00 0.00 175.76 177.38 1dgu n LYS 75 N 2.39 0.00 -2.25 0.00 4.01 -1.26 -4.93 118.16 116.12 1dgu n LYS 75 Ca 0.05 0.00 -0.34 0.00 -0.51 0.00 0.00 58.31 57.52 1dgu n LYS 75 Cb 0.42 -0.07 -0.04 0.00 -0.51 0.00 0.00 35.03 34.84 1dgu n LYS 75 CO 0.00 0.00 0.00 0.34 -1.11 0.00 0.00 177.40 176.63 1dgu s ASP 76 N 0.00 5.67 0.00 4.39 -1.08 -1.25 -4.49 116.67 119.91 1dgu s ASP 76 Ca 0.00 -0.82 0.00 0.00 -0.52 0.00 0.00 52.55 51.21 1dgu s ASP 76 Cb 0.00 -2.56 0.00 0.00 -1.46 0.00 0.00 42.92 38.90 1dgu s ASP 76 CO 0.00 -2.24 0.00 -0.24 0.52 0.00 0.00 175.17 173.21 1dgu n SER 77 N 11.85 0.00 -4.51 -0.34 2.88 -0.27 -4.53 113.62 118.70 1dgu n SER 77 Ca 0.33 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.45 1dgu n SER 77 Cb 0.49 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.92 1dgu n SER 77 CO 0.00 0.00 0.00 -1.48 -1.23 0.00 0.00 175.04 172.33 1dgu s LEU 78 N 0.00 4.04 0.91 2.46 2.34 -0.03 -4.69 118.68 123.71 1dgu s LEU 78 Ca 0.00 -1.36 -0.11 0.00 0.06 0.00 0.00 54.13 52.71 1dgu s LEU 78 Cb 0.00 -2.49 0.14 0.00 -0.56 0.00 0.00 46.19 43.27 1dgu s LEU 78 CO 0.00 -1.43 1.09 -0.94 -1.06 0.00 0.00 176.35 174.01 1dgu s SER 79 N 4.16 3.31 0.28 1.48 1.04 -1.26 -1.58 113.70 121.12 1dgu s SER 79 Ca 0.36 1.54 -0.02 0.00 0.48 0.00 0.00 55.95 58.31 1dgu s SER 79 Cb -0.06 -2.21 0.43 0.00 0.10 0.00 0.00 66.02 64.28 1dgu s SER 79 CO -0.02 -2.75 1.91 0.15 0.98 0.00 0.00 173.24 173.51 1dgu h PHE 80 N -1.63 1.14 0.02 5.02 3.57 -1.87 0.46 116.94 123.65 1dgu h PHE 80 Ca -0.50 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.05 1dgu h PHE 80 Cb 1.28 -0.38 -0.02 0.00 2.79 0.00 0.00 35.95 39.63 1dgu h PHE 80 CO 0.42 0.63 -0.12 1.49 -2.23 0.00 0.00 178.31 178.51 1dgu h GLU 81 N 1.15 -0.20 -0.38 1.11 4.81 -1.94 -0.13 114.58 119.01 1dgu h GLU 81 Ca 0.39 0.01 0.08 0.00 -0.13 0.00 0.00 59.36 59.71 1dgu h GLU 81 Cb 0.08 0.05 -0.08 0.00 0.63 0.00 0.00 28.75 29.43 1dgu h GLU 81 CO -0.13 -0.13 -0.18 -0.44 -0.73 0.00 0.00 179.01 177.40 1dgu h ASP 82 N -0.21 -0.60 -0.94 1.04 3.32 -1.80 -1.75 116.42 115.48 1dgu h ASP 82 Ca 0.03 0.14 0.28 0.00 0.02 0.00 0.00 57.03 57.51 1dgu h ASP 82 Cb 0.25 0.33 -0.16 0.00 0.22 0.00 0.00 39.33 39.98 1dgu h ASP 82 CO -0.10 -0.21 0.31 0.15 -1.72 0.00 0.00 179.24 177.67 1dgu h PHE 83 N -0.11 0.47 0.01 4.55 3.57 0.46 -2.03 116.94 123.85 1dgu h PHE 83 Ca 0.19 0.05 -0.00 0.00 3.53 0.00 0.00 57.97 61.74 1dgu h PHE 83 Cb 0.40 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 39.08 1dgu h PHE 83 CO -0.41 -0.28 -0.00 -0.07 -2.23 0.00 0.00 178.31 175.32 1dgu h LEU 84 N 0.17 -0.01 -0.86 0.59 3.38 -0.94 -3.36 115.31 114.29 1dgu h LEU 84 Ca 0.64 -0.60 0.22 0.00 0.09 0.00 0.00 57.88 58.22 1dgu h LEU 84 Cb 1.40 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 42.02 1dgu h LEU 84 CO -0.71 0.79 0.30 0.44 0.09 0.00 0.00 178.44 179.35 1dgu h ASP 85 N -0.99 0.15 0.50 -0.43 3.32 -1.14 -1.93 116.42 115.90 1dgu h ASP 85 Ca -0.00 0.17 -0.02 0.00 0.02 0.00 0.00 57.03 57.20 1dgu h ASP 85 Cb 0.61 0.20 -0.02 0.00 0.22 0.00 0.00 39.33 40.33 1dgu h ASP 85 CO 0.00 -0.07 -0.49 0.17 -1.72 0.00 0.00 179.24 177.13 1dgu h LEU 86 N 0.30 -1.35 -0.73 1.55 8.10 -1.58 -3.11 115.31 118.49 1dgu h LEU 86 Ca 0.53 0.11 -0.13 0.00 0.11 0.00 0.00 57.88 58.50 1dgu h LEU 86 Cb 1.03 0.44 -0.01 0.00 -0.44 0.00 0.00 40.66 41.68 1dgu h LEU 86 CO -0.58 -0.65 -0.49 0.25 -4.11 0.00 0.00 178.44 172.86 1dgu h LEU 87 N -0.99 0.38 -1.06 0.17 6.46 -1.68 -2.10 115.31 116.49 1dgu h LEU 87 Ca -0.06 -0.19 0.37 0.00 -0.12 0.00 0.00 57.88 57.88 1dgu h LEU 87 Cb 0.86 -0.11 -0.16 0.00 -0.73 0.00 0.00 40.66 40.52 1dgu h LEU 87 CO -0.05 0.81 0.60 -1.28 -0.62 0.00 0.00 178.44 177.90 1dgu h SER 88 N 0.28 0.41 -0.86 1.25 0.87 -1.45 0.25 113.55 114.29 1dgu h SER 88 Ca 0.01 0.21 0.06 0.00 -1.23 0.00 0.00 61.79 60.84 1dgu h SER 88 Cb 0.97 0.18 -0.06 0.00 -0.44 0.00 0.00 62.40 63.05 1dgu h SER 88 CO 0.08 -0.25 0.54 0.58 -0.53 0.00 0.00 176.83 177.25 1dgu h VAL 89 N 0.18 1.04 -0.01 2.23 2.07 -1.30 -3.18 116.25 117.29 1dgu h VAL 89 Ca 0.79 -0.34 0.00 0.00 0.82 0.00 0.00 66.70 67.97 1dgu h VAL 89 Cb 2.00 -0.02 0.00 0.00 -1.52 0.00 0.00 31.29 31.75 1dgu h VAL 89 CO -0.64 0.18 -0.26 0.49 0.02 0.00 0.00 177.57 177.36 1dgu n PHE 90 N -4.61 0.00 -1.72 1.57 3.01 -0.36 -4.49 117.46 110.86 1dgu n PHE 90 Ca 0.12 0.00 -0.40 0.00 1.01 0.00 0.00 57.45 58.19 1dgu n PHE 90 Cb 0.18 -0.13 0.03 0.00 -0.01 0.00 0.00 39.48 39.54 1dgu n PHE 90 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1dgu n SER 91 N -0.72 2.67 -4.75 4.37 2.88 0.72 -1.31 113.62 117.48 1dgu n SER 91 Ca 0.12 1.05 -0.41 0.00 -1.33 0.00 0.00 58.87 58.30 1dgu n SER 91 Cb 0.34 -1.54 -0.03 0.00 -0.75 0.00 0.00 64.21 62.23 1dgu n SER 91 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1dgu s ASP 92 N -0.69 6.81 0.00 -3.46 2.15 -1.26 -1.76 116.67 118.46 1dgu s ASP 92 Ca 0.65 2.57 0.00 0.00 0.43 0.00 0.00 52.55 56.21 1dgu s ASP 92 Cb -0.46 -2.63 0.00 0.00 -0.30 0.00 0.00 42.92 39.53 1dgu s ASP 92 CO 0.54 -0.55 0.00 0.41 -0.17 0.00 0.00 175.17 175.40 1dgu n THR 93 N 1.76 0.00 -2.20 1.71 -1.04 -1.26 -5.04 114.28 108.21 1dgu n THR 93 Ca 0.03 0.00 -0.38 0.00 -2.04 0.00 0.00 64.05 61.66 1dgu n THR 93 Cb 0.42 0.00 -0.01 0.00 -1.82 0.00 0.00 70.33 68.92 1dgu n THR 93 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1dgu s ALA 94 N -1.76 3.10 0.39 2.41 0.00 -0.72 -5.02 121.76 120.17 1dgu s ALA 94 Ca 0.00 1.03 -0.23 0.00 0.00 0.00 0.00 51.96 52.76 1dgu s ALA 94 Cb 0.00 -3.41 -0.10 0.00 0.00 0.00 0.00 23.12 19.60 1dgu s ALA 94 CO 0.00 -0.68 0.97 0.95 0.00 0.00 0.00 175.76 177.00 1dgu s THR 95 N -1.41 4.20 0.40 0.00 -4.23 -1.26 -4.99 115.64 108.34 1dgu s THR 95 Ca 0.60 1.56 0.14 0.00 -1.18 0.00 0.00 61.69 62.81 1dgu s THR 95 Cb -0.32 -3.74 0.36 0.00 1.34 0.00 0.00 72.50 70.14 1dgu s THR 95 CO 0.40 -0.11 1.86 1.55 -0.54 0.00 0.00 174.62 177.77 1dgu h PRO 96 N 2.39 0.49 -0.10 3.99 0.13 -1.94 -2.91 132.00 134.05 1dgu h PRO 96 Ca -0.48 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 1dgu h PRO 96 Cb 1.19 -0.11 -0.01 0.00 0.13 0.00 0.00 31.00 32.21 1dgu h PRO 96 CO 0.62 0.32 0.07 -0.44 -0.23 0.00 0.00 178.00 178.34 1dgu h ASP 97 N 0.50 0.12 -0.39 1.44 3.32 -1.94 -1.25 116.42 118.22 1dgu h ASP 97 Ca 0.47 -0.02 0.02 0.00 0.02 0.00 0.00 57.03 57.51 1dgu h ASP 97 Cb 1.02 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 40.52 1dgu h ASP 97 CO -0.20 0.11 0.26 -0.29 -1.72 0.00 0.00 179.24 177.40 1dgu h ILE 98 N 0.12 1.05 -0.09 0.35 2.10 -1.90 -0.34 117.51 118.81 1dgu h ILE 98 Ca 0.04 -0.16 -0.03 0.00 1.08 0.00 0.00 64.86 65.79 1dgu h ILE 98 Cb 0.01 0.55 -0.00 0.00 -1.09 0.00 0.00 36.82 36.29 1dgu h ILE 98 CO -0.01 0.08 -0.06 0.11 -1.08 0.00 0.00 178.15 177.20 1dgu h LYS 99 N 0.46 0.19 -0.86 2.19 1.57 -1.49 -1.60 116.57 117.03 1dgu h LYS 99 Ca 0.15 -0.09 0.06 0.00 -1.87 0.00 0.00 60.65 58.90 1dgu h LYS 99 Cb 0.05 -0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.30 1dgu h LYS 99 CO -0.04 0.58 0.54 1.03 -0.57 0.00 0.00 179.45 181.00 1dgu h SER 100 N -0.20 0.86 -0.36 0.86 0.87 -1.15 -0.68 113.55 113.76 1dgu h SER 100 Ca 0.02 0.01 0.05 0.00 -1.23 0.00 0.00 61.79 60.64 1dgu h SER 100 Cb 0.54 -0.17 -0.05 0.00 -0.44 0.00 0.00 62.40 62.28 1dgu h SER 100 CO 0.02 0.56 0.06 0.45 -0.53 0.00 0.00 176.83 177.38 1dgu h HIS 101 N 1.00 0.09 -0.27 2.24 3.86 -1.12 -0.09 115.15 120.86 1dgu h HIS 101 Ca 0.37 0.02 0.05 0.00 -1.16 0.00 0.00 60.37 59.65 1dgu h HIS 101 Cb 0.14 0.01 -0.04 0.00 1.06 0.00 0.00 27.41 28.58 1dgu h HIS 101 CO -0.03 0.00 -0.01 -0.92 0.86 0.00 0.00 177.93 177.84 1dgu h TYR 102 N 0.18 -0.03 -0.55 2.45 5.03 -1.10 -1.96 116.97 121.00 1dgu h TYR 102 Ca 0.17 0.02 0.10 0.00 2.58 0.00 0.00 58.73 61.60 1dgu h TYR 102 Cb 0.20 0.05 -0.08 0.00 1.55 0.00 0.00 36.73 38.45 1dgu h TYR 102 CO -0.20 -0.05 0.08 0.00 -1.32 0.00 0.00 178.16 176.67 1dgu h ALA 103 N 1.24 0.60 -0.55 1.82 0.00 -0.97 -1.97 119.26 119.43 1dgu h ALA 103 Ca 0.13 0.13 0.11 0.00 0.00 0.00 0.00 54.91 55.28 1dgu h ALA 103 Cb 0.17 0.20 -0.10 0.00 0.00 0.00 0.00 17.79 18.06 1dgu h ALA 103 CO -0.23 -0.33 -0.13 0.35 0.00 0.00 0.00 179.25 178.91 1dgu h PHE 104 N 0.20 -0.27 0.00 0.00 3.57 -0.90 -2.98 116.94 116.56 1dgu h PHE 104 Ca 0.28 0.05 -0.02 0.00 3.53 0.00 0.00 57.97 61.81 1dgu h PHE 104 Cb 0.41 0.21 -0.00 0.00 2.79 0.00 0.00 35.95 39.36 1dgu h PHE 104 CO -0.27 -0.23 -0.11 0.00 -2.23 0.00 0.00 178.31 175.48 1dgu h ARG 105 N 0.01 0.00 -0.75 1.11 3.08 -0.81 0.52 114.38 117.53 1dgu h ARG 105 Ca 0.27 0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.33 1dgu h ARG 105 Cb 0.41 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.42 1dgu h ARG 105 CO -0.56 0.11 0.50 0.82 -1.07 0.00 0.00 179.97 179.77 1dgu h ILE 106 N 0.00 1.18 0.13 2.04 1.08 -1.21 -3.29 117.51 117.44 1dgu h ILE 106 Ca -0.00 -0.35 -0.26 0.00 -0.39 0.00 0.00 64.86 63.86 1dgu h ILE 106 Cb 0.38 0.08 0.03 0.00 -3.07 0.00 0.00 36.82 34.24 1dgu h ILE 106 CO 0.01 0.18 -1.11 -0.26 -0.69 0.00 0.00 178.15 176.29 1dgu h PHE 107 N 1.01 0.88 -0.81 1.37 0.04 -1.47 -3.41 116.94 114.54 1dgu h PHE 107 Ca 0.28 -0.57 -0.50 0.00 2.80 0.00 0.00 57.97 59.98 1dgu h PHE 107 Cb -0.10 -0.06 -0.07 0.00 2.20 0.00 0.00 35.95 37.91 1dgu h PHE 107 CO -0.02 1.42 1.45 0.34 -0.60 0.00 0.00 178.31 180.90 1dgu s ASP 108 N -7.28 5.99 0.06 2.17 2.15 0.13 -4.32 116.67 115.57 1dgu s ASP 108 Ca -0.11 -1.63 -0.32 0.00 0.43 0.00 0.00 52.55 50.93 1dgu s ASP 108 Cb 0.04 -2.58 -0.16 0.00 -0.30 0.00 0.00 42.92 39.93 1dgu s ASP 108 CO 0.90 -2.02 1.48 -0.26 -0.17 0.00 0.00 175.17 175.10 1dgu h PHE 109 N 9.44 -1.16 0.00 -5.34 -1.00 -1.81 -2.99 116.94 114.08 1dgu h PHE 109 Ca 0.26 -0.01 0.00 0.00 2.81 0.00 0.00 57.97 61.03 1dgu h PHE 109 Cb 0.95 0.43 0.00 0.00 3.61 0.00 0.00 35.95 40.94 1dgu h PHE 109 CO 1.30 -0.62 0.00 -0.40 -1.61 0.00 0.00 178.31 176.97 1dgu n ASP 110 N -5.10 0.00 -1.53 2.17 5.75 -1.26 -4.92 116.55 111.66 1dgu n ASP 110 Ca -0.12 -1.05 -0.17 0.00 -0.01 0.00 0.00 54.79 53.44 1dgu n ASP 110 Cb 0.43 0.00 -0.07 0.00 -1.03 0.00 0.00 41.12 40.45 1dgu n ASP 110 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1dgu n ASP 111 N -0.65 -4.46 0.00 -1.12 8.00 -1.13 -4.91 116.55 112.28 1dgu n ASP 111 Ca 0.04 0.40 0.02 0.00 0.71 0.00 0.00 54.79 55.96 1dgu n ASP 111 Cb 0.02 -4.03 0.10 0.00 -0.02 0.00 0.00 41.12 37.19 1dgu n ASP 111 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1dgu n ASP 112 N -0.96 0.00 0.00 -2.24 5.68 -1.26 -4.89 116.55 112.88 1dgu n ASP 112 Ca -0.17 -1.50 0.00 0.00 -0.50 0.00 0.00 54.79 52.62 1dgu n ASP 112 Cb 0.56 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.54 1dgu n ASP 112 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1dgu n GLY 113 N 0.34 0.94 2.84 6.12 0.00 -1.26 -5.06 105.19 109.12 1dgu n GLY 113 Ca 0.03 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.86 1dgu n GLY 113 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1dgu s THR 114 N -3.77 0.30 -0.69 2.61 -4.23 -1.26 -3.89 115.64 104.71 1dgu s THR 114 Ca 0.00 0.02 -0.27 0.00 -1.18 0.00 0.00 61.69 60.26 1dgu s THR 114 Cb 0.00 -0.37 0.02 0.00 1.34 0.00 0.00 72.50 73.49 1dgu s THR 114 CO 0.00 0.17 1.34 -0.76 -0.54 0.00 0.00 174.62 174.84 1dgu s LEU 115 N 1.01 3.23 0.60 4.79 1.43 0.95 -4.79 118.68 125.90 1dgu s LEU 115 Ca -0.10 -0.24 -0.13 0.00 -1.03 0.00 0.00 54.13 52.63 1dgu s LEU 115 Cb -0.14 -2.67 -0.04 0.00 0.03 0.00 0.00 46.19 43.37 1dgu s LEU 115 CO -0.01 -1.84 1.03 0.54 0.23 0.00 0.00 176.35 176.29 1dgu s ASN 116 N 4.16 6.14 0.21 2.29 2.20 -1.26 -0.77 114.94 127.91 1dgu s ASN 116 Ca 0.41 1.54 -0.10 0.00 -0.94 0.00 0.00 52.86 53.77 1dgu s ASN 116 Cb -0.09 -2.49 0.30 0.00 -2.00 0.00 0.00 41.25 36.98 1dgu s ASN 116 CO 0.18 -0.93 1.70 0.08 -2.94 0.00 0.00 177.10 175.19 1dgu h ARG 117 N 0.02 0.24 -0.13 3.55 0.11 -1.97 -1.48 114.38 114.73 1dgu h ARG 117 Ca -0.45 -0.01 0.03 0.00 0.10 0.00 0.00 59.98 59.65 1dgu h ARG 117 Cb 1.20 -0.05 -0.03 0.00 1.11 0.00 0.00 29.97 32.19 1dgu h ARG 117 CO 0.60 0.16 -0.08 1.49 0.10 0.00 0.00 179.97 182.24 1dgu h GLU 118 N 0.25 -0.08 -0.58 0.08 4.81 -1.98 -1.76 114.58 115.32 1dgu h GLU 118 Ca 0.32 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.55 1dgu h GLU 118 Cb 0.49 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.86 1dgu h GLU 118 CO -0.42 -0.05 0.33 -0.44 -0.73 0.00 0.00 179.01 177.70 1dgu h ASP 119 N -0.08 0.70 -0.98 1.04 3.45 -1.81 -0.57 116.42 118.17 1dgu h ASP 119 Ca 0.08 -0.07 0.11 0.00 0.43 0.00 0.00 57.03 57.58 1dgu h ASP 119 Cb 0.20 -0.18 -0.08 0.00 -0.56 0.00 0.00 39.33 38.71 1dgu h ASP 119 CO -0.18 0.57 0.62 0.25 -1.57 0.00 0.00 179.24 178.93 1dgu h LEU 120 N 0.78 0.90 -0.08 1.55 5.85 -1.27 -0.86 115.31 122.16 1dgu h LEU 120 Ca 0.20 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.95 1dgu h LEU 120 Cb 0.01 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 40.89 1dgu h LEU 120 CO -0.04 0.49 0.00 0.77 -0.34 0.00 0.00 178.44 179.33 1dgu h SER 121 N 0.97 0.14 -0.37 1.25 4.64 -0.82 -2.11 113.55 117.24 1dgu h SER 121 Ca 0.47 -0.30 -0.03 0.00 -0.47 0.00 0.00 61.79 61.46 1dgu h SER 121 Cb 0.46 -0.04 -0.02 0.00 -0.31 0.00 0.00 62.40 62.50 1dgu h SER 121 CO -0.24 0.41 0.11 0.03 -0.87 0.00 0.00 176.83 176.27 1dgu h ARG 122 N -0.14 0.57 0.38 4.77 2.47 -1.07 0.01 114.38 121.37 1dgu h ARG 122 Ca 0.02 -0.13 -0.00 0.00 -1.26 0.00 0.00 59.98 58.61 1dgu h ARG 122 Cb 0.34 -0.08 -0.02 0.00 -1.65 0.00 0.00 29.97 28.55 1dgu h ARG 122 CO 0.00 0.59 -0.39 1.25 0.56 0.00 0.00 179.97 181.99 1dgu h LEU 123 N 0.45 -1.06 -0.44 3.04 5.85 -1.24 -2.06 115.31 119.84 1dgu h LEU 123 Ca 0.12 0.09 -0.03 0.00 0.84 0.00 0.00 57.88 58.90 1dgu h LEU 123 Cb 0.26 0.36 -0.02 0.00 0.37 0.00 0.00 40.66 41.63 1dgu h LEU 123 CO -0.00 -0.53 0.17 1.62 -0.34 0.00 0.00 178.44 179.36 1dgu h VAL 124 N -0.79 1.20 -0.86 1.05 3.04 -1.34 -2.55 116.25 116.01 1dgu h VAL 124 Ca -0.03 -0.63 0.16 0.00 -1.01 0.00 0.00 66.70 65.19 1dgu h VAL 124 Cb 0.71 0.80 -0.10 0.00 -2.01 0.00 0.00 31.29 30.69 1dgu h VAL 124 CO -0.07 0.23 0.44 -1.13 -1.01 0.00 0.00 177.57 176.03 1dgu h ASN 125 N 0.57 0.51 -0.89 3.17 -1.24 -1.09 0.16 115.58 116.76 1dgu h ASN 125 Ca 0.15 0.10 0.12 0.00 0.71 0.00 0.00 56.30 57.38 1dgu h ASN 125 Cb 0.20 0.02 -0.08 0.00 0.73 0.00 0.00 38.32 39.19 1dgu h ASN 125 CO -0.01 0.19 0.52 0.00 -1.29 0.00 0.00 177.43 176.84 1dgu h LEU 127 N 0.82 0.53 0.01 0.00 6.46 -1.30 -3.41 115.31 118.42 1dgu h LEU 127 Ca 0.45 -0.70 -0.26 0.00 -0.12 0.00 0.00 57.88 57.24 1dgu h LEU 127 Cb 0.49 -0.17 0.01 0.00 -0.73 0.00 0.00 40.66 40.26 1dgu h LEU 127 CO -0.28 1.58 -1.13 0.74 -0.62 0.00 0.00 178.44 178.72 1dgu h THR 128 N 0.09 1.39 0.00 1.05 2.02 -0.69 -3.39 112.91 113.39 1dgu h THR 128 Ca -0.26 -2.64 -0.67 0.00 0.77 0.00 0.00 66.41 63.61 1dgu h THR 128 Cb 2.06 2.67 0.00 0.00 -1.74 0.00 0.00 68.15 71.14 1dgu h THR 128 CO 0.19 0.79 3.43 0.61 0.37 0.00 0.00 175.52 180.91 1dgu n GLY 129 N 1.26 4.18 1.39 2.16 0.00 -0.39 -4.46 105.19 109.33 1dgu n GLY 129 Ca -0.10 -1.49 0.00 0.00 0.00 0.00 0.00 46.02 44.44 1dgu n GLY 129 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1dgu n GLU 130 N 4.78 0.00 -2.06 1.61 1.02 -1.26 -4.94 120.64 119.79 1dgu n GLU 130 Ca 0.65 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 57.37 1dgu n GLU 130 Cb 0.30 -0.03 -0.00 0.00 -0.02 0.00 0.00 31.44 31.68 1dgu n GLU 130 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1dgu n GLY 131 N 2.72 4.74 2.84 0.62 0.00 -1.26 -4.77 105.19 110.09 1dgu n GLY 131 Ca 0.00 -1.94 -0.04 0.00 0.00 0.00 0.00 46.02 44.05 1dgu n GLY 131 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1dgu n GLU 132 N 3.87 -1.32 -2.51 1.61 4.71 -1.26 -4.96 120.64 120.78 1dgu n GLU 132 Ca 0.50 1.16 -0.40 0.00 -0.01 0.00 0.00 57.16 58.40 1dgu n GLU 132 Cb 0.33 -5.07 -0.02 0.00 -1.01 0.00 0.00 31.44 25.67 1dgu n GLU 132 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 1dgu s ASP 133 N -2.98 6.44 0.83 1.62 -1.08 -1.26 -5.02 116.67 115.23 1dgu s ASP 133 Ca 0.11 -1.69 -0.11 0.00 -0.52 0.00 0.00 52.55 50.34 1dgu s ASP 133 Cb -0.01 -2.57 0.09 0.00 -1.46 0.00 0.00 42.92 38.96 1dgu s ASP 133 CO 0.62 -1.56 1.10 -0.89 0.52 0.00 0.00 175.17 174.96 1dgu s THR 134 N 5.36 2.97 0.32 1.71 2.01 -1.26 -4.51 115.64 122.24 1dgu s THR 134 Ca 0.51 0.31 0.09 0.00 0.31 0.00 0.00 61.69 62.92 1dgu s THR 134 Cb 0.01 -2.73 0.31 0.00 0.01 0.00 0.00 72.50 70.10 1dgu s THR 134 CO -0.03 -0.41 1.69 0.03 -0.69 0.00 0.00 174.62 175.20 1dgu h ARG 135 N -1.37 0.39 -0.18 4.92 3.08 -1.99 -0.73 114.38 118.52 1dgu h ARG 135 Ca -0.45 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 59.55 1dgu h ARG 135 Cb 1.25 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 31.21 1dgu h ARG 135 CO 0.51 0.26 0.01 1.25 -1.07 0.00 0.00 179.97 180.93 1dgu h LEU 136 N 0.40 0.29 -1.89 3.04 5.85 -1.99 -1.23 115.31 119.78 1dgu h LEU 136 Ca 0.65 -0.29 0.08 0.00 0.84 0.00 0.00 57.88 59.16 1dgu h LEU 136 Cb 1.35 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 42.29 1dgu h LEU 136 CO -0.56 0.51 0.24 -1.28 -0.34 0.00 0.00 178.44 177.01 1dgu h SER 137 N 0.07 0.11 0.24 1.25 0.87 -1.56 -0.63 113.55 113.90 1dgu h SER 137 Ca 0.05 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.60 1dgu h SER 137 Cb 0.35 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.29 1dgu h SER 137 CO 0.01 0.07 -0.12 0.00 -0.53 0.00 0.00 176.83 176.26 1dgu h ALA 138 N 1.82 -0.32 -0.97 6.23 0.00 -1.21 -3.37 119.26 121.44 1dgu h ALA 138 Ca 0.16 -0.20 0.14 0.00 0.00 0.00 0.00 54.91 55.01 1dgu h ALA 138 Cb 0.48 0.12 -0.08 0.00 0.00 0.00 0.00 17.79 18.31 1dgu h ALA 138 CO -0.02 -0.45 0.61 1.03 0.00 0.00 0.00 179.25 180.42 1dgu h SER 139 N -0.78 0.80 -0.15 0.00 0.87 -1.02 -2.02 113.55 111.26 1dgu h SER 139 Ca -0.03 0.05 0.05 0.00 -1.23 0.00 0.00 61.79 60.63 1dgu h SER 139 Cb 0.51 -0.10 -0.05 0.00 -0.44 0.00 0.00 62.40 62.31 1dgu h SER 139 CO 0.05 0.40 -0.17 -0.33 -0.53 0.00 0.00 176.83 176.25 1dgu h GLU 140 N 0.84 -0.19 -0.24 2.24 5.08 -1.29 -0.37 114.58 120.65 1dgu h GLU 140 Ca 0.50 0.01 -0.18 0.00 -1.00 0.00 0.00 59.36 58.69 1dgu h GLU 140 Cb 0.65 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.94 1dgu h GLU 140 CO -0.26 -0.13 -0.56 0.52 -1.00 0.00 0.00 179.01 177.58 1dgu h MET 141 N -0.20 0.73 -0.02 2.33 2.86 -1.69 -1.44 114.93 117.50 1dgu h MET 141 Ca 0.10 -0.47 0.01 0.00 -2.06 0.00 0.00 59.70 57.28 1dgu h MET 141 Cb 0.36 0.06 -0.00 0.00 0.06 0.00 0.00 31.60 32.07 1dgu h MET 141 CO -0.27 1.09 0.02 0.87 1.06 0.00 0.00 176.91 179.68 1dgu h LYS 142 N 0.56 0.00 0.16 1.72 1.57 -1.32 -0.76 116.57 118.50 1dgu h LYS 142 Ca 0.01 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.54 1dgu h LYS 142 Cb 1.14 0.00 0.03 0.00 0.08 0.00 0.00 32.23 33.48 1dgu h LYS 142 CO 0.12 0.00 -1.08 1.96 -0.57 0.00 0.00 179.45 179.88 1dgu h GLN 143 N 0.00 0.45 0.00 3.15 4.20 -1.12 -3.40 115.11 118.38 1dgu h GLN 143 Ca 0.01 -0.69 -0.05 0.00 0.06 0.00 0.00 58.65 57.97 1dgu h GLN 143 Cb 0.05 0.25 -0.01 0.00 0.30 0.00 0.00 27.48 28.07 1dgu h GLN 143 CO -0.00 1.32 -0.25 1.25 -0.67 0.00 0.00 178.83 180.48 1dgu h LEU 144 N -0.07 0.00 -0.12 1.46 5.85 -1.00 -3.14 115.31 118.28 1dgu h LEU 144 Ca -0.18 0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.58 1dgu h LEU 144 Cb 1.82 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 42.80 1dgu h LEU 144 CO 0.20 0.25 -0.21 -0.29 -0.34 0.00 0.00 178.44 178.05 1dgu h ILE 145 N 0.00 0.48 -0.18 4.05 2.10 -1.36 -0.33 117.51 122.27 1dgu h ILE 145 Ca -0.00 0.00 0.04 0.00 1.08 0.00 0.00 64.86 65.98 1dgu h ILE 145 Cb 0.68 0.48 -0.04 0.00 -1.09 0.00 0.00 36.82 36.84 1dgu h ILE 145 CO 0.03 0.00 -0.08 0.44 -1.08 0.00 0.00 178.15 177.47 1dgu h ASP 146 N -0.27 -0.26 -0.47 2.19 3.32 -1.78 -1.53 116.42 117.62 1dgu h ASP 146 Ca 0.10 0.07 -0.06 0.00 0.02 0.00 0.00 57.03 57.15 1dgu h ASP 146 Cb 0.42 0.15 -0.02 0.00 0.22 0.00 0.00 39.33 40.09 1dgu h ASP 146 CO -0.28 -0.10 0.07 0.78 -1.72 0.00 0.00 179.24 177.99 1dgu h ASN 147 N -0.05 0.80 0.08 6.45 2.35 -1.51 0.19 115.58 123.89 1dgu h ASN 147 Ca 0.09 -0.17 -0.00 0.00 -0.55 0.00 0.00 56.30 55.67 1dgu h ASN 147 Cb 0.19 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.35 1dgu h ASN 147 CO -0.21 0.82 -0.04 0.40 -1.65 0.00 0.00 177.43 176.74 1dgu h ILE 148 N 0.80 0.91 0.28 2.81 2.04 -1.02 -2.67 117.51 120.66 1dgu h ILE 148 Ca 0.17 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.02 1dgu h ILE 148 Cb 0.37 0.91 -0.01 0.00 -0.74 0.00 0.00 36.82 37.35 1dgu h ILE 148 CO 0.01 0.00 -0.19 0.25 0.00 0.00 0.00 178.15 178.21 1dgu h LEU 149 N -0.12 -0.50 -0.93 1.44 5.85 -1.14 -0.44 115.31 119.49 1dgu h LEU 149 Ca -0.01 0.04 0.25 0.00 0.84 0.00 0.00 57.88 58.99 1dgu h LEU 149 Cb 0.09 0.16 -0.17 0.00 0.37 0.00 0.00 40.66 41.11 1dgu h LEU 149 CO 0.02 -0.31 0.05 -0.33 -0.34 0.00 0.00 178.44 177.53 1dgu h GLU 150 N -0.47 0.05 0.08 1.25 5.08 -0.71 -0.70 114.58 119.17 1dgu h GLU 150 Ca -0.02 -0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.21 1dgu h GLU 150 Cb 0.40 -0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.65 1dgu h GLU 150 CO 0.01 0.04 -0.59 0.93 -1.00 0.00 0.00 179.01 178.40 1dgu h GLU 151 N 0.06 0.17 0.00 2.33 5.08 -1.40 -3.37 114.58 117.45 1dgu h GLU 151 Ca 0.55 -0.29 0.00 0.00 -1.00 0.00 0.00 59.36 58.63 1dgu h GLU 151 Cb 1.11 0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.47 1dgu h GLU 151 CO -0.83 1.14 0.00 1.03 -1.00 0.00 0.00 179.01 179.34 1dgu h SER 152 N -0.63 0.00 0.00 1.42 0.87 -1.07 -3.38 113.55 110.76 1dgu h SER 152 Ca -0.11 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.45 1dgu h SER 152 Cb 1.40 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.36 1dgu h SER 152 CO 0.07 0.00 0.00 -0.67 -0.53 0.00 0.00 176.83 175.70 1dgu n ASP 153 N -2.77 2.77 -0.30 6.23 2.03 -0.27 -4.74 116.55 119.50 1dgu n ASP 153 Ca 0.03 -1.69 0.16 0.00 0.52 0.00 0.00 54.79 53.81 1dgu n ASP 153 Cb 0.37 -0.58 0.31 0.00 -0.72 0.00 0.00 41.12 40.50 1dgu n ASP 153 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 1dgu n ILE 154 N 1.61 -0.37 0.31 5.18 5.41 -1.26 -0.72 119.36 129.51 1dgu n ILE 154 Ca 0.00 1.92 0.20 0.00 1.00 0.00 0.00 62.75 65.87 1dgu n ILE 154 Cb 0.27 -2.86 1.00 0.00 -0.71 0.00 0.00 39.64 37.34 1dgu n ILE 154 CO 0.00 0.00 0.00 -2.24 0.00 0.00 0.00 176.55 174.31 1dgu h ASP 155 N 0.00 0.00 0.00 4.38 -0.00 -1.97 -3.48 116.42 115.35 1dgu h ASP 155 Ca 0.58 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.61 1dgu h ASP 155 Cb 1.28 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.61 1dgu h ASP 155 CO -0.80 0.00 0.00 -1.14 -0.00 0.00 0.00 179.24 177.30 1dgu n ARG 156 N -3.05 0.00 0.00 4.15 0.63 0.10 -5.01 116.66 113.47 1dgu n ARG 156 Ca -0.02 0.00 0.02 0.00 -0.92 0.00 0.00 57.85 56.93 1dgu n ARG 156 Cb 0.16 0.00 0.12 0.00 0.45 0.00 0.00 32.46 33.19 1dgu n ARG 156 CO 0.00 0.00 0.00 -0.40 -2.51 0.00 0.00 177.63 174.72 1dgu n ASP 157 N 0.00 0.00 -2.26 6.15 5.75 -1.26 -4.86 116.55 120.07 1dgu n ASP 157 Ca 0.00 -0.20 -0.18 0.00 -0.01 0.00 0.00 54.79 54.39 1dgu n ASP 157 Cb 0.00 0.00 0.01 0.00 -1.03 0.00 0.00 41.12 40.10 1dgu n ASP 157 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1dgu n GLY 158 N -0.59 -0.35 3.64 6.12 0.00 -1.26 -5.02 105.19 107.73 1dgu n GLY 158 Ca 0.03 -0.09 -0.07 0.00 0.00 0.00 0.00 46.02 45.89 1dgu n GLY 158 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1dgu s THR 159 N -2.97 0.00 -0.42 2.61 -1.32 -1.26 -4.52 115.64 107.76 1dgu s THR 159 Ca 0.11 0.00 -0.25 0.00 -1.21 0.00 0.00 61.69 60.34 1dgu s THR 159 Cb -0.05 -1.00 0.02 0.00 -1.51 0.00 0.00 72.50 69.96 1dgu s THR 159 CO 0.14 0.00 0.90 -0.63 -2.21 0.00 0.00 174.62 172.83 1dgu s ILE 160 N 1.38 4.54 0.82 5.08 -1.09 0.05 -4.82 121.20 127.15 1dgu s ILE 160 Ca -0.08 0.87 -0.12 0.00 -2.23 0.00 0.00 60.65 59.09 1dgu s ILE 160 Cb -0.05 -4.38 0.08 0.00 -1.58 0.00 0.00 42.46 36.54 1dgu s ILE 160 CO -0.16 -0.71 1.14 0.54 -1.23 0.00 0.00 174.94 174.52 1dgu s ASN 161 N 2.11 4.37 0.29 3.58 2.20 -1.26 -0.03 114.94 126.19 1dgu s ASN 161 Ca 0.36 0.99 -0.01 0.00 -0.94 0.00 0.00 52.86 53.26 1dgu s ASN 161 Cb -0.11 -1.60 0.47 0.00 -2.00 0.00 0.00 41.25 38.01 1dgu s ASN 161 CO 0.23 -2.01 1.91 0.25 -2.94 0.00 0.00 177.10 174.53 1dgu h LEU 162 N -1.12 0.97 -0.40 3.54 6.46 -1.98 -1.05 115.31 121.73 1dgu h LEU 162 Ca -0.47 0.00 0.06 0.00 -0.12 0.00 0.00 57.88 57.35 1dgu h LEU 162 Cb 1.31 -0.20 -0.05 0.00 -0.73 0.00 0.00 40.66 40.98 1dgu h LEU 162 CO 0.63 0.63 0.09 -1.28 -0.62 0.00 0.00 178.44 177.90 1dgu h SER 163 N 1.10 0.04 -0.33 1.25 0.87 -1.94 -1.65 113.55 112.88 1dgu h SER 163 Ca 0.40 0.06 -0.10 0.00 -1.23 0.00 0.00 61.79 60.92 1dgu h SER 163 Cb 0.15 0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.18 1dgu h SER 163 CO -0.15 0.06 -0.20 -0.33 -0.53 0.00 0.00 176.83 175.68 1dgu h GLU 164 N 0.23 0.72 -0.05 2.24 5.08 -1.78 -1.35 114.58 119.67 1dgu h GLU 164 Ca 0.19 -0.33 0.03 0.00 -1.00 0.00 0.00 59.36 58.25 1dgu h GLU 164 Cb 0.22 -0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.40 1dgu h GLU 164 CO -0.24 0.94 -0.43 0.35 -1.00 0.00 0.00 179.01 178.63 1dgu h PHE 165 N 0.49 -1.24 0.00 4.33 3.57 -1.23 -2.82 116.94 120.04 1dgu h PHE 165 Ca 0.07 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.60 1dgu h PHE 165 Cb 0.75 0.55 -0.00 0.00 2.79 0.00 0.00 35.95 40.04 1dgu h PHE 165 CO 0.06 -0.50 -0.06 0.37 -2.23 0.00 0.00 178.31 175.95 1dgu h GLN 166 N -0.55 0.00 -0.78 1.11 4.15 -1.34 0.73 115.11 118.42 1dgu h GLN 166 Ca 0.05 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.46 1dgu h GLN 166 Cb 0.65 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 28.30 1dgu h GLN 166 CO -0.35 0.06 0.42 0.45 -1.93 0.00 0.00 178.83 177.48 1dgu h HIS 167 N 0.00 1.09 0.01 3.99 3.86 -1.08 -1.66 115.15 121.36 1dgu h HIS 167 Ca -0.00 -0.03 -0.06 0.00 -1.16 0.00 0.00 60.37 59.12 1dgu h HIS 167 Cb 0.29 -0.34 0.01 0.00 1.06 0.00 0.00 27.41 28.42 1dgu h HIS 167 CO 0.00 0.77 -0.25 0.28 0.86 0.00 0.00 177.93 179.59 1dgu h VAL 168 N 1.09 1.58 0.09 2.45 2.07 -1.21 -3.42 116.25 118.89 1dgu h VAL 168 Ca 0.27 -2.03 -0.37 0.00 0.82 0.00 0.00 66.70 65.40 1dgu h VAL 168 Cb 0.05 2.88 -0.03 0.00 -1.52 0.00 0.00 31.29 32.66 1dgu h VAL 168 CO -0.04 0.55 -2.14 -0.38 0.02 0.00 0.00 177.57 175.58 1dgu n ILE 169 N -4.50 1.70 -2.96 4.57 2.08 0.21 -4.83 119.36 115.63 1dgu n ILE 169 Ca -0.10 -0.64 -0.14 0.00 0.56 0.00 0.00 62.75 62.44 1dgu n ILE 169 Cb 0.52 -1.63 0.03 0.00 -0.75 0.00 0.00 39.64 37.81 1dgu n ILE 169 CO 0.00 0.00 0.00 -1.20 0.56 0.00 0.00 176.55 175.91 1dgu n SER 170 N -3.41 -0.80 -0.08 4.38 7.64 -0.73 -4.52 113.62 116.11 1dgu n SER 170 Ca -0.36 -3.34 -0.15 0.00 1.01 0.00 0.00 58.87 56.03 1dgu n SER 170 Cb 1.03 0.66 -0.13 0.00 -1.01 0.00 0.00 64.21 64.77 1dgu n SER 170 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 1dgu h ARG 171 N 3.06 0.00 -6.11 1.43 2.43 -1.58 -3.35 114.38 110.26 1dgu h ARG 171 Ca -0.00 0.00 -0.59 0.00 -0.81 0.00 0.00 59.98 58.58 1dgu h ARG 171 Cb 1.03 0.00 -0.08 0.00 -0.42 0.00 0.00 29.97 30.50 1dgu h ARG 171 CO 0.32 0.99 0.67 -1.12 -1.51 0.00 0.00 179.97 179.32 1dgu s SER 172 N -6.33 6.80 -1.46 -3.80 0.01 -1.26 -5.03 113.70 102.63 1dgu s SER 172 Ca -0.21 0.84 -0.13 0.00 1.31 0.00 0.00 55.95 57.77 1dgu s SER 172 Cb -0.01 -2.49 0.04 0.00 0.21 0.00 0.00 66.02 63.77 1dgu s SER 172 CO 0.67 -0.80 2.30 -0.81 0.41 0.00 0.00 173.24 175.01 1dgu n PRO 173 N 6.67 3.13 -0.06 12.44 -0.04 -1.26 -4.72 135.00 151.15 1dgu n PRO 173 Ca 0.09 -2.68 -0.02 0.00 -0.04 0.00 0.00 63.50 60.85 1dgu n PRO 173 Cb 0.48 -3.15 -0.01 0.00 -0.04 0.00 0.00 33.50 30.77 1dgu n PRO 173 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1dgu h ASP 174 N 5.78 0.00 -0.61 3.54 5.19 -1.90 -3.20 116.42 125.23 1dgu h ASP 174 Ca 0.60 -0.08 0.09 0.00 -0.62 0.00 0.00 57.03 57.02 1dgu h ASP 174 Cb 0.57 0.00 -0.07 0.00 0.18 0.00 0.00 39.33 40.02 1dgu h ASP 174 CO 1.83 0.61 0.25 0.15 -3.12 0.00 0.00 179.24 178.96 1dgu h PHE 175 N -1.00 0.43 -0.99 4.55 3.57 -1.85 -2.71 116.94 118.95 1dgu h PHE 175 Ca -0.01 0.03 0.32 0.00 3.53 0.00 0.00 57.97 61.84 1dgu h PHE 175 Cb 0.21 -0.10 -0.15 0.00 2.79 0.00 0.00 35.95 38.70 1dgu h PHE 175 CO -0.03 0.13 0.53 0.00 -2.23 0.00 0.00 178.31 176.71 1dgu h ALA 176 N 1.40 1.90 -0.14 2.41 0.00 -1.84 -2.40 119.26 120.59 1dgu h ALA 176 Ca 0.30 0.20 -0.08 0.00 0.00 0.00 0.00 54.91 55.33 1dgu h ALA 176 Cb 0.34 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1dgu h ALA 176 CO -0.28 -0.59 -0.27 0.66 0.00 0.00 0.00 179.25 178.77 1dgu h SER 177 N 0.29 0.25 -0.58 0.00 4.64 -1.47 -3.39 113.55 113.29 1dgu h SER 177 Ca 0.73 -0.08 -0.71 0.00 -0.47 0.00 0.00 61.79 61.26 1dgu h SER 177 Cb 1.66 -0.07 -0.06 0.00 -0.31 0.00 0.00 62.40 63.63 1dgu h SER 177 CO -0.63 0.52 3.03 -1.54 -0.87 0.00 0.00 176.83 177.35 1dgu n SER 178 N -4.15 7.34 -2.99 4.97 3.41 -0.90 -4.63 113.62 116.68 1dgu n SER 178 Ca -0.01 -2.87 -0.15 0.00 -0.26 0.00 0.00 58.87 55.58 1dgu n SER 178 Cb 0.37 -1.50 -0.01 0.00 -0.26 0.00 0.00 64.21 62.82 1dgu n SER 178 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1dgu n PHE 179 N 3.35 0.50 -3.65 7.33 3.72 -1.26 -5.07 117.46 122.39 1dgu n PHE 179 Ca 0.64 -3.41 -0.36 0.00 -0.05 0.00 0.00 57.45 54.27 1dgu n PHE 179 Cb 0.28 -0.38 -0.06 0.00 -0.94 0.00 0.00 39.48 38.38 1dgu n PHE 179 CO 0.00 0.00 0.00 -1.59 -0.05 0.00 0.00 176.76 175.12 1dgu s LYS 180 N -2.65 3.71 0.25 -1.08 0.00 -1.26 -4.48 119.74 114.22 1dgu s LYS 180 Ca 0.35 0.14 0.01 0.00 0.00 0.00 0.00 55.97 56.47 1dgu s LYS 180 Cb 0.39 -3.13 -0.04 0.00 0.00 0.00 0.00 37.83 35.06 1dgu s LYS 180 CO -0.03 0.67 0.43 -1.50 0.00 0.00 0.00 175.35 174.91 1dgu s ILE 181 N -1.20 5.19 -0.36 3.79 1.10 -0.43 -5.03 121.20 124.27 1dgu s ILE 181 Ca 0.25 -0.56 -0.15 0.00 -0.51 0.00 0.00 60.65 59.68 1dgu s ILE 181 Cb -0.14 -3.80 -0.01 0.00 0.15 0.00 0.00 42.46 38.66 1dgu s ILE 181 CO 0.13 -0.32 0.35 -0.69 -2.11 0.00 0.00 174.94 172.30 1dgu s VAL 182 N -2.02 5.18 -2.00 4.00 1.01 -1.26 -4.77 120.40 120.55 1dgu s VAL 182 Ca 0.38 -0.08 0.16 0.00 0.00 0.00 0.00 61.98 62.43 1dgu s VAL 182 Cb -0.10 -3.84 0.13 0.00 0.00 0.00 0.00 36.38 32.56 1dgu s VAL 182 CO 0.31 -0.14 1.01 -0.11 0.00 0.00 0.00 175.10 176.17