#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uhr n SER 2 N 0.00 1.85 -1.86 1.61 7.64 -1.26 -5.10 113.62 116.50 1uhr n SER 2 Ca 0.00 0.53 0.00 0.00 1.01 0.00 0.00 58.87 60.41 1uhr n SER 2 Cb 0.00 -0.87 0.00 0.00 -1.01 0.00 0.00 64.21 62.33 1uhr n SER 2 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1uhr n SER 3 N -4.54 -8.88 -2.80 6.43 2.88 -1.26 -4.99 113.62 100.47 1uhr n SER 3 Ca -0.16 1.29 -0.11 0.00 -1.33 0.00 0.00 58.87 58.56 1uhr n SER 3 Cb 0.42 -4.79 0.03 0.00 -0.75 0.00 0.00 64.21 59.12 1uhr n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1uhr n GLY 4 N 1.04 1.96 1.36 0.46 0.00 -1.26 -5.11 105.19 103.64 1uhr n GLY 4 Ca 0.00 -1.18 0.00 0.00 0.00 0.00 0.00 46.02 44.84 1uhr n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1uhr n SER 5 N -0.02 -7.39 -4.94 1.61 2.88 -1.26 -4.74 113.62 99.76 1uhr n SER 5 Ca 0.11 1.31 -0.24 0.00 -1.33 0.00 0.00 58.87 58.72 1uhr n SER 5 Cb 0.78 -4.09 0.02 0.00 -0.75 0.00 0.00 64.21 60.18 1uhr n SER 5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1uhr s SER 6 N -4.07 5.66 0.65 -3.46 1.04 -1.26 -4.93 113.70 107.33 1uhr s SER 6 Ca 0.00 0.45 0.00 0.00 0.48 0.00 0.00 55.95 56.88 1uhr s SER 6 Cb 0.00 -1.54 0.00 0.00 0.10 0.00 0.00 66.02 64.58 1uhr s SER 6 CO 0.00 -0.92 0.00 0.61 0.98 0.00 0.00 173.24 173.91 1uhr n GLY 7 N -2.34 1.72 3.35 7.32 0.00 -1.26 -4.68 105.19 109.30 1uhr n GLY 7 Ca 0.03 -0.46 -0.38 0.00 0.00 0.00 0.00 46.02 45.21 1uhr n GLY 7 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uhr n GLN 8 N 7.34 0.25 -1.83 1.61 10.64 -1.26 -4.92 117.38 129.20 1uhr n GLN 8 Ca 0.00 0.10 -0.32 0.00 -1.83 0.00 0.00 57.00 54.95 1uhr n GLN 8 Cb 0.00 -1.37 0.03 0.00 -0.86 0.00 0.00 30.24 28.03 1uhr n GLN 8 CO 0.00 0.00 0.00 -1.25 -1.83 0.00 0.00 177.06 173.98 1uhr s PRO 9 N -1.65 3.17 0.76 2.61 0.04 -1.26 -4.97 135.00 133.70 1uhr s PRO 9 Ca 0.62 1.07 -0.11 0.00 0.04 0.00 0.00 61.00 62.62 1uhr s PRO 9 Cb -0.45 -2.02 0.05 0.00 0.04 0.00 0.00 34.50 32.12 1uhr s PRO 9 CO 0.61 -0.92 1.08 -1.25 0.04 0.00 0.00 177.00 176.56 1uhr s PRO 10 N -4.55 2.37 -0.30 0.56 0.04 -1.26 -5.04 135.00 126.82 1uhr s PRO 10 Ca 0.61 0.74 -0.04 0.00 0.04 0.00 0.00 61.00 62.35 1uhr s PRO 10 Cb -0.15 -1.94 0.18 0.00 0.04 0.00 0.00 34.50 32.63 1uhr s PRO 10 CO 0.45 -1.45 0.68 -0.65 0.04 0.00 0.00 177.00 176.08 1uhr s GLN 11 N -5.12 0.51 0.15 4.56 -0.21 -1.26 -3.46 119.66 114.82 1uhr s GLN 11 Ca 0.60 0.96 0.04 0.00 0.02 0.00 0.00 55.36 56.97 1uhr s GLN 11 Cb -0.14 0.54 -0.04 0.00 1.00 0.00 0.00 33.01 34.37 1uhr s GLN 11 CO 0.54 -0.50 0.17 -0.06 -2.12 0.00 0.00 175.29 173.33 1uhr s PHE 12 N 2.86 3.26 0.01 0.91 0.40 0.73 -4.62 117.98 121.54 1uhr s PHE 12 Ca 0.14 0.04 -0.25 0.00 -0.60 0.00 0.00 56.93 56.26 1uhr s PHE 12 Cb -0.14 -1.58 -0.05 0.00 0.51 0.00 0.00 43.02 41.77 1uhr s PHE 12 CO -0.19 0.52 0.77 0.21 0.70 0.00 0.00 175.22 177.23 1uhr s LYS 13 N -3.03 4.49 0.21 0.44 2.20 0.23 -3.20 119.74 121.08 1uhr s LYS 13 Ca 0.32 1.06 -0.18 0.00 -0.36 0.00 0.00 55.97 56.81 1uhr s LYS 13 Cb -0.11 -3.39 -0.08 0.00 -1.51 0.00 0.00 37.83 32.74 1uhr s LYS 13 CO 0.25 0.20 0.68 -0.51 -0.36 0.00 0.00 175.35 175.60 1uhr s LEU 14 N 0.26 4.33 1.10 5.43 1.43 -1.19 0.65 118.68 130.69 1uhr s LEU 14 Ca 0.40 1.33 -0.16 0.00 -1.03 0.00 0.00 54.13 54.67 1uhr s LEU 14 Cb -0.20 -3.52 0.15 0.00 0.03 0.00 0.00 46.19 42.66 1uhr s LEU 14 CO 0.22 0.04 0.42 0.47 0.23 0.00 0.00 176.35 177.74 1uhr n ASP 15 N 0.71 -1.99 0.17 2.29 9.92 -0.24 -4.36 116.55 123.04 1uhr n ASP 15 Ca -0.03 -0.04 0.13 0.00 -0.53 0.00 0.00 54.79 54.33 1uhr n ASP 15 Cb 0.51 -1.11 0.45 0.00 -0.64 0.00 0.00 41.12 40.33 1uhr n ASP 15 CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 1uhr h PRO 16 N -2.17 0.00 0.00 -0.24 0.13 -1.96 1.04 132.00 128.80 1uhr h PRO 16 Ca -0.54 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.34 1uhr h PRO 16 Cb 1.34 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.42 1uhr h PRO 16 CO 0.41 0.00 -2.04 0.54 -0.23 0.00 0.00 178.00 176.68 1uhr n ARG 17 N -2.57 0.66 -0.09 0.86 1.74 -1.26 -4.30 116.66 111.71 1uhr n ARG 17 Ca 0.03 0.03 -0.23 0.00 -0.77 0.00 0.00 57.85 56.92 1uhr n ARG 17 Cb 0.36 -1.61 -0.12 0.00 -1.02 0.00 0.00 32.46 30.08 1uhr n ARG 17 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 1uhr n LEU 18 N -2.71 2.11 -0.66 0.55 7.94 -1.14 -2.52 117.00 120.56 1uhr n LEU 18 Ca -0.21 0.33 0.51 0.00 -1.11 0.00 0.00 56.01 55.53 1uhr n LEU 18 Cb 0.97 -0.97 0.80 0.00 0.53 0.00 0.00 43.42 44.75 1uhr n LEU 18 CO 0.44 0.49 1.45 0.00 -1.11 0.00 0.00 177.39 178.66 1uhr h ALA 19 N -0.44 3.71 0.06 1.96 0.00 0.94 0.99 119.26 126.48 1uhr h ALA 19 Ca -0.44 -0.04 -0.37 0.00 0.00 0.00 0.00 54.91 54.05 1uhr h ALA 19 Cb 1.55 0.16 -0.04 0.00 0.00 0.00 0.00 17.79 19.46 1uhr h ALA 19 CO -0.18 -2.28 -2.17 2.89 0.00 0.00 0.00 179.25 177.51 1uhr n ARG 20 N -4.05 0.69 -0.15 0.00 1.85 -1.26 -1.70 116.66 112.04 1uhr n ARG 20 Ca 0.43 0.24 -0.14 0.00 -1.00 0.00 0.00 57.85 57.39 1uhr n ARG 20 Cb 1.92 -1.62 -0.10 0.00 -1.05 0.00 0.00 32.46 31.61 1uhr n ARG 20 CO 0.00 0.00 0.00 1.25 -0.01 0.00 0.00 177.63 178.87 1uhr h LEU 21 N -0.12 -1.88 0.04 2.89 5.85 0.12 -2.24 115.31 119.97 1uhr h LEU 21 Ca -0.50 0.25 -0.27 0.00 0.84 0.00 0.00 57.88 58.19 1uhr h LEU 21 Cb 1.89 0.77 -0.03 0.00 0.37 0.00 0.00 40.66 43.66 1uhr h LEU 21 CO -0.04 -0.40 -1.44 -0.07 -0.34 0.00 0.00 178.44 176.15 1uhr h LEU 22 N -0.39 0.12 0.00 2.25 3.38 -1.26 -3.48 115.31 115.93 1uhr h LEU 22 Ca 0.07 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1uhr h LEU 22 Cb 0.59 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.30 1uhr h LEU 22 CO -0.61 1.15 0.00 0.61 0.09 0.00 0.00 178.44 179.68 1uhr n GLY 23 N 1.53 0.78 3.48 0.83 0.00 -0.69 -5.02 105.19 106.10 1uhr n GLY 23 Ca -0.12 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.47 1uhr n GLY 23 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1uhr s ILE 24 N -2.16 4.39 0.08 -0.61 1.01 -0.97 -4.89 121.20 118.05 1uhr s ILE 24 Ca 0.00 -0.16 -0.32 0.00 0.00 0.00 0.00 60.65 60.17 1uhr s ILE 24 Cb 0.00 -4.60 -0.15 0.00 0.01 0.00 0.00 42.46 37.71 1uhr s ILE 24 CO 0.00 -1.29 1.49 0.45 0.00 0.00 0.00 174.94 175.60 1uhr h HIS 25 N 9.43 -1.26 -1.54 3.97 3.86 -1.96 -3.41 115.15 124.24 1uhr h HIS 25 Ca -0.28 0.01 0.03 0.00 -1.16 0.00 0.00 60.37 58.97 1uhr h HIS 25 Cb 1.07 0.49 -0.23 0.00 1.06 0.00 0.00 27.41 29.81 1uhr h HIS 25 CO 0.93 -0.60 -0.28 0.99 0.86 0.00 0.00 177.93 179.83 1uhr s THR 26 N -5.52 -0.90 0.22 2.45 2.01 -1.26 -3.18 115.64 109.47 1uhr s THR 26 Ca -0.16 0.00 0.03 0.00 0.31 0.00 0.00 61.69 61.88 1uhr s THR 26 Cb 0.04 -0.93 -0.01 0.00 0.01 0.00 0.00 72.50 71.60 1uhr s THR 26 CO 0.53 -0.01 0.11 0.00 -0.69 0.00 0.00 174.62 174.56 1uhr n GLN 27 N 5.42 0.55 -1.13 4.92 3.00 -1.19 -4.90 117.38 124.05 1uhr n GLN 27 Ca -0.05 -1.97 -0.23 0.00 -0.01 0.00 0.00 57.00 54.74 1uhr n GLN 27 Cb 0.50 1.26 0.17 0.00 0.00 0.00 0.00 30.24 32.18 1uhr n GLN 27 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.06 177.31 1uhr n THR 28 N -0.47 0.00 0.01 5.09 -2.24 -1.22 -0.19 114.28 115.24 1uhr n THR 28 Ca -0.01 -0.56 -0.17 0.00 -2.27 0.00 0.00 64.05 61.04 1uhr n THR 28 Cb 0.35 -1.41 -0.13 0.00 -2.10 0.00 0.00 70.33 67.04 1uhr n THR 28 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 1uhr h ARG 29 N 0.00 0.26 0.00 -0.78 2.43 -1.96 -1.88 114.38 112.44 1uhr h ARG 29 Ca -0.32 -0.35 0.00 0.00 -0.81 0.00 0.00 59.98 58.50 1uhr h ARG 29 Cb 0.93 0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.59 1uhr h ARG 29 CO 0.22 1.10 0.00 -0.35 -1.51 0.00 0.00 179.97 179.43 1uhr n PRO 30 N -4.30 0.33 -0.09 0.20 -0.04 -1.26 -0.55 135.00 129.28 1uhr n PRO 30 Ca -0.12 0.07 -0.12 0.00 -0.04 0.00 0.00 63.50 63.29 1uhr n PRO 30 Cb 0.67 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.48 1uhr n PRO 30 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1uhr n VAL 31 N -1.28 1.45 -0.07 0.52 0.31 -1.21 -4.14 118.33 113.91 1uhr n VAL 31 Ca 0.11 -0.78 -0.10 0.00 -0.01 0.00 0.00 64.34 63.56 1uhr n VAL 31 Cb 0.18 -0.80 -0.07 0.00 -0.91 0.00 0.00 33.84 32.23 1uhr n VAL 31 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 1uhr h ILE 32 N 0.00 0.87 -1.00 2.52 2.04 -1.08 -2.99 117.51 117.88 1uhr h ILE 32 Ca -0.52 -1.75 0.38 0.00 1.00 0.00 0.00 64.86 63.96 1uhr h ILE 32 Cb 2.13 1.74 -0.18 0.00 -0.74 0.00 0.00 36.82 39.78 1uhr h ILE 32 CO 0.01 0.30 0.44 -0.29 0.00 0.00 0.00 178.15 178.60 1uhr h ILE 33 N -1.00 0.05 0.57 -0.67 2.10 -1.07 0.22 117.51 117.71 1uhr h ILE 33 Ca -0.07 -0.02 -0.03 0.00 1.08 0.00 0.00 64.86 65.83 1uhr h ILE 33 Cb 0.71 -0.00 0.01 0.00 -1.09 0.00 0.00 36.82 36.45 1uhr h ILE 33 CO -0.04 0.01 -0.27 1.56 -1.08 0.00 0.00 178.15 178.32 1uhr h GLN 34 N 0.05 -0.73 -1.92 2.19 1.08 -1.72 -0.13 115.11 113.93 1uhr h GLN 34 Ca 0.78 0.05 0.56 0.00 -1.45 0.00 0.00 58.65 58.59 1uhr h GLN 34 Cb 1.96 0.17 -0.08 0.00 -0.05 0.00 0.00 27.48 29.48 1uhr h GLN 34 CO -0.78 -0.49 1.41 0.00 -0.95 0.00 0.00 178.83 178.02 1uhr h ALA 35 N -1.29 3.82 0.00 3.87 0.00 -0.50 1.63 119.26 126.80 1uhr h ALA 35 Ca -0.08 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 1uhr h ALA 35 Cb 0.58 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 1uhr h ALA 35 CO 0.13 -2.39 -0.16 1.25 0.00 0.00 0.00 179.25 178.08 1uhr h LEU 36 N 0.00 0.00 -0.75 0.00 5.85 -0.81 -3.20 115.31 116.40 1uhr h LEU 36 Ca 0.91 -0.89 0.11 0.00 0.84 0.00 0.00 57.88 58.86 1uhr h LEU 36 Cb 3.72 0.00 -0.08 0.00 0.37 0.00 0.00 40.66 44.67 1uhr h LEU 36 CO -0.01 1.03 0.36 -0.50 -0.34 0.00 0.00 178.44 178.98 1uhr h TRP 37 N -1.00 0.63 0.00 1.25 4.06 0.39 1.16 115.95 122.44 1uhr h TRP 37 Ca -0.04 0.03 0.00 0.00 2.06 0.00 0.00 58.89 60.94 1uhr h TRP 37 Cb 0.99 -0.17 0.00 0.00 -1.00 0.00 0.00 29.16 28.98 1uhr h TRP 37 CO 0.24 0.18 0.00 0.94 -3.56 0.00 0.00 178.44 176.25 1uhr n GLN 38 N -4.89 0.08 -0.06 0.49 -0.06 0.25 -1.13 117.38 112.06 1uhr n GLN 38 Ca 0.13 0.52 -0.20 0.00 -2.00 0.00 0.00 57.00 55.45 1uhr n GLN 38 Cb 0.33 -1.74 -0.13 0.00 -4.06 0.00 0.00 30.24 24.64 1uhr n GLN 38 CO 0.00 0.00 0.00 -0.92 -0.20 0.00 0.00 177.06 175.94 1uhr h TYR 39 N 0.00 0.15 0.00 3.69 5.03 0.14 -2.06 116.97 123.91 1uhr h TYR 39 Ca 0.00 -0.11 -0.01 0.00 2.58 0.00 0.00 58.73 61.19 1uhr h TYR 39 Cb 0.07 -0.01 -0.00 0.00 1.55 0.00 0.00 36.73 38.35 1uhr h TYR 39 CO 0.00 1.43 -0.06 0.82 -1.32 0.00 0.00 178.16 179.03 1uhr h ILE 40 N -0.75 0.18 0.05 1.81 2.04 -0.69 1.51 117.51 121.66 1uhr h ILE 40 Ca -0.27 -0.60 -0.17 0.00 1.00 0.00 0.00 64.86 64.82 1uhr h ILE 40 Cb 1.41 1.50 -0.01 0.00 -0.74 0.00 0.00 36.82 38.98 1uhr h ILE 40 CO -0.08 0.06 -0.88 0.11 0.00 0.00 0.00 178.15 177.36 1uhr h LYS 41 N 0.00 0.11 -0.07 2.37 1.57 -1.24 0.12 116.57 119.42 1uhr h LYS 41 Ca -0.00 -0.18 -0.13 0.00 -1.87 0.00 0.00 60.65 58.46 1uhr h LYS 41 Cb 0.50 0.07 0.01 0.00 0.08 0.00 0.00 32.23 32.88 1uhr h LYS 41 CO 0.01 1.09 -0.48 1.15 -0.57 0.00 0.00 179.45 180.65 1uhr h THR 42 N -0.72 1.40 -0.01 -0.16 2.02 -1.19 -2.97 112.91 111.29 1uhr h THR 42 Ca -0.21 -1.87 0.00 0.00 0.77 0.00 0.00 66.41 65.11 1uhr h THR 42 Cb 1.39 2.34 0.00 0.00 -1.74 0.00 0.00 68.15 70.14 1uhr h THR 42 CO -0.02 0.55 0.00 1.41 0.37 0.00 0.00 175.52 177.82 1uhr n HIS 43 N -4.28 0.01 -4.10 3.16 8.25 0.52 -4.91 115.22 113.87 1uhr n HIS 43 Ca -0.09 -0.00 -0.45 0.00 -0.26 0.00 0.00 57.72 56.92 1uhr n HIS 43 Cb 0.59 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.71 1uhr n HIS 43 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1uhr n LYS 44 N -0.83 -0.35 -0.04 -0.41 4.76 -0.82 -4.78 118.16 115.69 1uhr n LYS 44 Ca 0.21 0.08 0.11 0.00 -2.87 0.00 0.00 58.31 55.85 1uhr n LYS 44 Cb 0.12 -2.68 0.50 0.00 -1.84 0.00 0.00 35.03 31.14 1uhr n LYS 44 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1uhr n LEU 45 N -5.00 1.07 -4.65 -0.35 4.77 0.35 -4.90 117.00 108.29 1uhr n LEU 45 Ca -0.13 -0.42 -0.50 0.00 -0.03 0.00 0.00 56.01 54.92 1uhr n LEU 45 Cb 0.58 -0.05 -0.05 0.00 -2.33 0.00 0.00 43.42 41.57 1uhr n LEU 45 CO 0.76 0.21 1.14 1.67 -1.33 0.00 0.00 177.39 179.84 1uhr n GLN 46 N -0.10 1.61 -1.69 3.23 7.27 -1.24 -0.87 117.38 125.59 1uhr n GLN 46 Ca 0.17 0.58 -0.42 0.00 0.07 0.00 0.00 57.00 57.40 1uhr n GLN 46 Cb 0.25 -2.30 -0.03 0.00 2.41 0.00 0.00 30.24 30.57 1uhr n GLN 46 CO 0.00 0.00 0.00 -3.47 0.07 0.00 0.00 177.06 173.66 1uhr n ASP 47 N 3.80 4.09 0.00 1.69 -0.08 -0.96 -4.64 116.55 120.45 1uhr n ASP 47 Ca 0.20 0.99 0.11 0.00 -1.51 0.00 0.00 54.79 54.57 1uhr n ASP 47 Cb 0.23 -1.55 0.54 0.00 2.34 0.00 0.00 41.12 42.67 1uhr n ASP 47 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 1uhr n PRO 48 N 5.61 0.22 -0.11 -0.67 -0.04 -1.26 -3.22 135.00 135.54 1uhr n PRO 48 Ca 0.18 0.09 -0.23 0.00 -0.04 0.00 0.00 63.50 63.49 1uhr n PRO 48 Cb 0.38 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.22 1uhr n PRO 48 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1uhr n HIS 49 N -1.35 0.86 -4.52 0.54 8.25 -1.26 -5.00 115.22 112.74 1uhr n HIS 49 Ca 0.09 0.36 -0.24 0.00 -0.26 0.00 0.00 57.72 57.67 1uhr n HIS 49 Cb 0.20 -1.09 -0.11 0.00 1.12 0.00 0.00 29.99 30.12 1uhr n HIS 49 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1uhr s GLU 50 N -2.39 1.76 -0.00 -0.41 0.41 -1.20 -5.04 118.70 111.83 1uhr s GLU 50 Ca -0.30 -1.96 0.18 0.00 -0.41 0.00 0.00 54.97 52.48 1uhr s GLU 50 Cb 0.07 -1.30 -0.21 0.00 -1.78 0.00 0.00 34.13 30.92 1uhr s GLU 50 CO 0.58 -0.05 0.76 2.89 -0.49 0.00 0.00 175.26 178.95 1uhr n ARG 51 N -0.78 0.86 -0.02 1.61 0.00 -1.26 -4.04 116.66 113.04 1uhr n ARG 51 Ca -0.04 -0.01 0.07 0.00 -0.00 0.00 0.00 57.85 57.87 1uhr n ARG 51 Cb 0.66 -1.38 -0.16 0.00 -0.00 0.00 0.00 32.46 31.58 1uhr n ARG 51 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.63 176.78 1uhr n GLU 52 N -1.49 0.66 -2.82 2.89 0.00 -1.26 -4.95 120.64 113.66 1uhr n GLU 52 Ca 0.03 -0.14 -0.22 0.00 0.00 0.00 0.00 57.16 56.83 1uhr n GLU 52 Cb 0.30 -1.55 0.02 0.00 0.00 0.00 0.00 31.44 30.22 1uhr n GLU 52 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.13 177.07 1uhr s PHE 53 N -3.33 3.05 -0.13 -1.84 0.40 -1.26 0.18 117.98 115.05 1uhr s PHE 53 Ca -0.08 0.12 -0.06 0.00 -0.60 0.00 0.00 56.93 56.32 1uhr s PHE 53 Cb 0.12 -2.52 0.06 0.00 0.51 0.00 0.00 43.02 41.20 1uhr s PHE 53 CO 0.89 -0.60 0.29 0.54 0.70 0.00 0.00 175.22 177.04 1uhr s VAL 54 N -2.65 -0.30 -0.37 -0.44 0.11 0.61 -2.27 120.40 115.09 1uhr s VAL 54 Ca 0.52 0.21 -0.29 0.00 -2.93 0.00 0.00 61.98 59.50 1uhr s VAL 54 Cb -0.10 -0.47 0.02 0.00 -1.53 0.00 0.00 36.38 34.30 1uhr s VAL 54 CO 0.38 0.09 1.12 -0.76 -3.33 0.00 0.00 175.10 172.60 1uhr s LEU 55 N 2.01 3.83 0.28 2.54 1.43 -0.05 -3.13 118.68 125.59 1uhr s LEU 55 Ca -0.03 0.88 -0.30 0.00 -1.03 0.00 0.00 54.13 53.65 1uhr s LEU 55 Cb -0.11 -3.55 -0.10 0.00 0.03 0.00 0.00 46.19 42.46 1uhr s LEU 55 CO -0.09 -1.03 1.46 0.00 0.23 0.00 0.00 176.35 176.92 1uhr s ASP 57 N 0.27 0.74 0.41 0.00 -1.08 -1.26 -4.27 116.67 111.49 1uhr s ASP 57 Ca 0.59 0.70 0.16 0.00 -0.52 0.00 0.00 52.55 53.48 1uhr s ASP 57 Cb -0.43 -0.99 1.05 0.00 -1.46 0.00 0.00 42.92 41.09 1uhr s ASP 57 CO 0.47 -4.24 1.87 0.07 0.52 0.00 0.00 175.17 173.86 1uhr h LYS 58 N -2.66 0.42 0.00 4.34 -0.00 -1.97 1.46 116.57 118.17 1uhr h LYS 58 Ca -0.46 -0.03 -0.00 0.00 -0.00 0.00 0.00 60.65 60.17 1uhr h LYS 58 Cb 1.30 -0.10 0.00 0.00 -0.00 0.00 0.00 32.23 33.44 1uhr h LYS 58 CO 0.35 0.28 -0.01 1.88 -0.00 0.00 0.00 179.45 181.95 1uhr h TYR 59 N 0.44 0.01 -0.55 0.07 0.05 -1.99 -3.09 116.97 111.90 1uhr h TYR 59 Ca 0.45 -0.00 -0.01 0.00 0.05 0.00 0.00 58.73 59.21 1uhr h TYR 59 Cb 1.06 -0.00 -0.03 0.00 1.01 0.00 0.00 36.73 38.78 1uhr h TYR 59 CO -0.00 0.85 0.29 -0.07 -1.05 0.00 0.00 178.16 178.18 1uhr h LEU 60 N -0.84 0.67 -2.33 3.88 3.38 -1.57 0.10 115.31 118.61 1uhr h LEU 60 Ca -0.00 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 1uhr h LEU 60 Cb 0.85 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.43 1uhr h LEU 60 CO 0.00 0.55 -0.01 1.56 0.09 0.00 0.00 178.44 180.63 1uhr h GLN 61 N 0.76 0.00 0.00 1.13 4.20 0.19 1.67 115.11 123.06 1uhr h GLN 61 Ca 0.19 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.90 1uhr h GLN 61 Cb 0.04 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.82 1uhr h GLN 61 CO -0.03 0.01 -1.25 1.04 -0.67 0.00 0.00 178.83 177.93 1uhr n GLN 62 N -3.17 0.20 -0.09 1.46 1.13 0.18 -2.84 117.38 114.25 1uhr n GLN 62 Ca -0.02 -0.05 -0.12 0.00 -1.94 0.00 0.00 57.00 54.87 1uhr n GLN 62 Cb 0.17 -1.51 -0.04 0.00 0.11 0.00 0.00 30.24 28.97 1uhr n GLN 62 CO 0.00 0.00 0.00 -0.89 -1.44 0.00 0.00 177.06 174.73 1uhr n ILE 63 N -1.74 1.47 0.09 5.09 5.41 -0.15 -4.67 119.36 124.86 1uhr n ILE 63 Ca 0.02 0.05 -0.19 0.00 1.00 0.00 0.00 62.75 63.63 1uhr n ILE 63 Cb 0.40 -2.20 -0.12 0.00 -0.71 0.00 0.00 39.64 37.02 1uhr n ILE 63 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 176.55 176.29 1uhr h PHE 64 N -0.92 0.81 -1.60 1.39 0.04 0.21 -3.48 116.94 113.39 1uhr h PHE 64 Ca -0.14 -0.52 -0.20 0.00 2.80 0.00 0.00 57.97 59.91 1uhr h PHE 64 Cb 1.06 -0.06 -0.00 0.00 2.20 0.00 0.00 35.95 39.14 1uhr h PHE 64 CO -0.33 1.37 -0.27 0.39 -0.60 0.00 0.00 178.31 178.87 1uhr n GLU 65 N -3.72 -1.04 -3.78 1.51 1.02 -1.03 -4.99 120.64 108.61 1uhr n GLU 65 Ca -0.11 0.49 -0.30 0.00 -0.02 0.00 0.00 57.16 57.22 1uhr n GLU 65 Cb 0.97 -4.53 -0.14 0.00 -0.02 0.00 0.00 31.44 27.72 1uhr n GLU 65 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 1uhr s SER 66 N -2.58 4.04 0.27 1.62 0.01 -1.26 -4.99 113.70 110.81 1uhr s SER 66 Ca 0.02 -2.06 -0.02 0.00 1.31 0.00 0.00 55.95 55.20 1uhr s SER 66 Cb -0.01 -1.06 0.60 0.00 0.21 0.00 0.00 66.02 65.76 1uhr s SER 66 CO 0.03 -0.36 1.62 1.56 0.41 0.00 0.00 173.24 176.49 1uhr h GLN 67 N 7.56 0.10 -3.15 12.44 4.20 -1.91 -3.34 115.11 131.00 1uhr h GLN 67 Ca -0.08 -0.01 -0.28 0.00 0.06 0.00 0.00 58.65 58.34 1uhr h GLN 67 Cb 0.99 -0.02 -0.35 0.00 0.30 0.00 0.00 27.48 28.40 1uhr h GLN 67 CO 0.49 0.07 -0.63 0.50 -0.67 0.00 0.00 178.83 178.58 1uhr s ARG 68 N -6.04 0.05 0.08 1.46 3.52 -1.26 -2.70 118.95 114.06 1uhr s ARG 68 Ca -0.13 0.49 0.00 0.00 -0.13 0.00 0.00 55.73 55.96 1uhr s ARG 68 Cb 0.25 -0.25 -0.04 0.00 -1.56 0.00 0.00 34.95 33.35 1uhr s ARG 68 CO 0.77 -0.26 -0.03 0.00 -0.81 0.00 0.00 175.30 174.96 1uhr s MET 69 N 1.92 0.75 0.28 5.12 0.23 -1.18 -4.96 119.30 121.46 1uhr s MET 69 Ca -0.01 -1.30 -0.29 0.00 -1.03 0.00 0.00 55.69 53.06 1uhr s MET 69 Cb -0.12 0.03 -0.09 0.00 -1.53 0.00 0.00 34.83 33.11 1uhr s MET 69 CO -0.06 -0.09 1.00 0.15 -2.03 0.00 0.00 175.02 173.99 1uhr s LYS 70 N -3.90 4.69 0.54 3.16 1.02 -1.26 -0.29 119.74 123.70 1uhr s LYS 70 Ca 0.11 1.56 0.30 0.00 0.02 0.00 0.00 55.97 57.95 1uhr s LYS 70 Cb 0.07 -3.11 1.46 0.00 -0.52 0.00 0.00 37.83 35.73 1uhr s LYS 70 CO -0.06 0.33 1.92 0.74 -0.92 0.00 0.00 175.35 177.36 1uhr h PHE 71 N 3.74 0.00 0.00 3.18 0.04 0.15 1.56 116.94 125.61 1uhr h PHE 71 Ca -0.46 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.31 1uhr h PHE 71 Cb 1.20 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.35 1uhr h PHE 71 CO 0.60 0.00 0.00 0.45 -0.60 0.00 0.00 178.31 178.76 1uhr n SER 72 N -4.27 0.20 -0.80 2.17 2.88 -1.26 -2.25 113.62 110.28 1uhr n SER 72 Ca 0.15 0.53 0.12 0.00 -1.33 0.00 0.00 58.87 58.34 1uhr n SER 72 Cb 0.84 -0.58 0.27 0.00 -0.75 0.00 0.00 64.21 63.99 1uhr n SER 72 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1uhr n GLU 73 N -1.69 2.09 -0.02 -1.46 -0.58 0.53 -4.13 120.64 115.39 1uhr n GLU 73 Ca 0.05 -1.60 -0.16 0.00 -0.42 0.00 0.00 57.16 55.03 1uhr n GLU 73 Cb 0.30 -1.47 -0.10 0.00 -0.57 0.00 0.00 31.44 29.61 1uhr n GLU 73 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 1uhr h ILE 74 N 3.73 1.44 0.00 -3.67 1.08 -1.27 -2.38 117.51 116.44 1uhr h ILE 74 Ca 0.00 -1.85 0.00 0.00 -0.39 0.00 0.00 64.86 62.62 1uhr h ILE 74 Cb 0.80 2.44 0.00 0.00 -3.07 0.00 0.00 36.82 36.99 1uhr h ILE 74 CO 0.00 0.53 0.00 -0.81 -0.69 0.00 0.00 178.15 177.18 1uhr n PRO 75 N -4.37 0.08 0.04 2.37 -0.04 -1.26 -1.48 135.00 130.34 1uhr n PRO 75 Ca -0.09 0.19 0.11 0.00 -0.04 0.00 0.00 63.50 63.68 1uhr n PRO 75 Cb 0.55 -1.62 0.05 0.00 -0.04 0.00 0.00 33.50 32.44 1uhr n PRO 75 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1uhr n GLN 76 N -1.76 0.33 -0.00 0.54 6.02 -1.17 -3.94 117.38 117.39 1uhr n GLN 76 Ca 0.05 0.02 0.08 0.00 -0.01 0.00 0.00 57.00 57.14 1uhr n GLN 76 Cb 0.28 -1.63 -0.12 0.00 1.02 0.00 0.00 30.24 29.80 1uhr n GLN 76 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1uhr n ARG 77 N -2.06 0.97 -0.16 -1.09 3.00 -0.90 -4.38 116.66 112.03 1uhr n ARG 77 Ca 0.02 -0.09 -0.11 0.00 -0.01 0.00 0.00 57.85 57.66 1uhr n ARG 77 Cb 0.45 -1.35 -0.00 0.00 0.00 0.00 0.00 32.46 31.56 1uhr n ARG 77 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.63 177.56 1uhr h LEU 78 N 0.00 0.94 -1.47 0.55 3.38 -1.38 -2.72 115.31 114.61 1uhr h LEU 78 Ca 0.00 -0.37 0.46 0.00 0.09 0.00 0.00 57.88 58.05 1uhr h LEU 78 Cb 0.61 -0.26 -0.12 0.00 0.09 0.00 0.00 40.66 40.97 1uhr h LEU 78 CO 0.00 1.10 0.92 0.45 0.09 0.00 0.00 178.44 181.00 1uhr h HIS 79 N 0.78 0.46 0.04 1.13 3.86 -1.76 1.62 115.15 121.27 1uhr h HIS 79 Ca 0.11 0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.34 1uhr h HIS 79 Cb 0.71 -0.11 0.00 0.00 1.06 0.00 0.00 27.41 29.07 1uhr h HIS 79 CO 0.05 -0.20 -0.02 0.00 0.86 0.00 0.00 177.93 178.62 1uhr h ALA 80 N 1.54 -0.05 0.00 2.45 0.00 -1.76 -2.95 119.26 118.49 1uhr h ALA 80 Ca 0.84 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 55.48 1uhr h ALA 80 Cb 2.75 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 20.55 1uhr h ALA 80 CO -0.38 -0.25 -0.03 -0.07 0.00 0.00 0.00 179.25 178.52 1uhr h LEU 81 N -0.61 0.00 -9.06 0.00 3.38 0.13 -3.40 115.31 105.75 1uhr h LEU 81 Ca -0.01 0.00 -0.61 0.00 0.09 0.00 0.00 57.88 57.36 1uhr h LEU 81 Cb 0.55 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 41.19 1uhr h LEU 81 CO 0.01 0.03 -0.08 -0.76 0.09 0.00 0.00 178.44 177.74 1uhr s LEU 82 N -6.49 4.11 0.28 1.67 1.43 0.46 -1.08 118.68 119.04 1uhr s LEU 82 Ca -0.02 0.56 0.12 0.00 -1.03 0.00 0.00 54.13 53.75 1uhr s LEU 82 Cb 0.12 -2.63 -0.05 0.00 0.03 0.00 0.00 46.19 43.65 1uhr s LEU 82 CO 0.51 -0.20 -0.19 -0.04 0.23 0.00 0.00 176.35 176.66 1uhr s MET 83 N 1.85 1.65 -0.26 1.70 -1.94 0.21 -4.78 119.30 117.74 1uhr s MET 83 Ca 0.21 -1.76 -0.29 0.00 -1.71 0.00 0.00 55.69 52.14 1uhr s MET 83 Cb -0.15 -1.71 -0.01 0.00 2.01 0.00 0.00 34.83 34.97 1uhr s MET 83 CO 0.09 0.31 1.33 -1.25 -0.01 0.00 0.00 175.02 175.49 1uhr s PRO 84 N -3.53 3.98 -0.60 2.03 0.04 -1.26 0.77 135.00 136.44 1uhr s PRO 84 Ca 0.29 1.40 -0.06 0.00 0.04 0.00 0.00 61.00 62.67 1uhr s PRO 84 Cb -0.04 -3.87 -0.14 0.00 0.04 0.00 0.00 34.50 30.49 1uhr s PRO 84 CO 0.14 -1.04 2.67 -0.35 0.04 0.00 0.00 177.00 178.46 1uhr n PRO 85 N 7.18 2.13 -3.98 0.56 -0.04 -1.26 -4.87 135.00 134.73 1uhr n PRO 85 Ca 0.15 -1.25 -0.25 0.00 -0.04 0.00 0.00 63.50 62.11 1uhr n PRO 85 Cb 0.46 -2.23 -0.03 0.00 -0.04 0.00 0.00 33.50 31.66 1uhr n PRO 85 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1uhr s GLU 86 N 2.17 3.35 0.00 0.54 0.41 -1.26 -5.06 118.70 118.85 1uhr s GLU 86 Ca 0.51 -0.69 0.00 0.00 -0.41 0.00 0.00 54.97 54.38 1uhr s GLU 86 Cb 0.19 -2.89 0.00 0.00 -1.78 0.00 0.00 34.13 29.65 1uhr s GLU 86 CO -0.02 0.49 0.00 -0.35 -0.49 0.00 0.00 175.26 174.89 1uhr n PRO 87 N -0.75 0.67 -3.01 0.39 -0.04 -1.26 -4.78 135.00 126.23 1uhr n PRO 87 Ca -0.08 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.32 1uhr n PRO 87 Cb 0.55 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 34.02 1uhr n PRO 87 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1uhr n SER 88 N -0.66 -7.69 -4.75 3.54 7.64 -1.26 -4.95 113.62 105.49 1uhr n SER 88 Ca 0.00 0.18 -0.40 0.00 1.01 0.00 0.00 58.87 59.66 1uhr n SER 88 Cb 0.00 -5.09 -0.05 0.00 -1.01 0.00 0.00 64.21 58.06 1uhr n SER 88 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1uhr s GLY 89 N -2.76 2.93 -1.18 0.23 0.00 -1.26 -4.94 107.32 100.34 1uhr s GLY 89 Ca 0.13 0.44 -0.11 0.00 0.00 0.00 0.00 44.72 45.18 1uhr s GLY 89 CO 0.77 1.19 2.34 -1.55 0.00 0.00 0.00 173.10 175.84 1uhr n PRO 90 N 2.42 2.56 -0.22 2.90 -0.04 -1.26 -4.70 135.00 136.66 1uhr n PRO 90 Ca -0.01 -1.92 -0.09 0.00 -0.04 0.00 0.00 63.50 61.43 1uhr n PRO 90 Cb 0.49 -2.77 -0.05 0.00 -0.04 0.00 0.00 33.50 31.13 1uhr n PRO 90 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1uhr h SER 91 N 6.17 -1.62 -3.99 3.54 4.64 -2.04 -3.39 113.55 116.87 1uhr h SER 91 Ca 0.60 0.25 -0.50 0.00 -0.47 0.00 0.00 61.79 61.68 1uhr h SER 91 Cb 0.36 0.72 0.04 0.00 -0.31 0.00 0.00 62.40 63.21 1uhr h SER 91 CO 1.71 -0.34 0.27 -0.44 -0.87 0.00 0.00 176.83 177.16 1uhr s SER 92 N -5.17 6.32 0.00 4.97 0.01 -1.26 -5.34 113.70 113.23 1uhr s SER 92 Ca -0.14 1.23 0.00 0.00 1.31 0.00 0.00 55.95 58.35 1uhr s SER 92 Cb 0.12 -2.38 0.00 0.00 0.21 0.00 0.00 66.02 63.97 1uhr s SER 92 CO 0.65 -0.68 0.00 0.61 0.41 0.00 0.00 173.24 174.23