#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 -8.42 0.01 1.61 2.88 -1.26 -5.02 113.62 103.43 1uhr n SER 2 Ca 0.00 1.20 -0.03 0.00 -1.33 0.00 0.00 58.87 58.71 1uhr n SER 2 Cb 0.00 -4.52 -0.01 0.00 -0.75 0.00 0.00 64.21 58.93 1uhr n SER 2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1uhr n SER 3 N -0.49 1.03 0.00 -3.46 7.64 -1.26 -5.16 113.62 111.92 1uhr n SER 3 Ca 0.00 0.15 0.00 0.00 1.01 0.00 0.00 58.87 60.03 1uhr n SER 3 Cb 0.00 -0.35 0.00 0.00 -1.01 0.00 0.00 64.21 62.85 1uhr n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1uhr n GLY 4 N 3.01 -0.03 1.43 0.23 0.00 -1.26 -5.07 105.19 103.51 1uhr n GLY 4 Ca -0.05 -1.72 0.00 0.00 0.00 0.00 0.00 46.02 44.25 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 3.00 0.43 -2.98 1.61 2.88 -1.26 -4.93 113.62 112.38 1uhr n SER 5 Ca 0.00 0.22 -0.01 0.00 -1.33 0.00 0.00 58.87 57.75 1uhr n SER 5 Cb 0.00 -0.02 -0.00 0.00 -0.75 0.00 0.00 64.21 63.44 1uhr n SER 5 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1uhr n SER 6 N -3.24 -6.55 0.00 -3.46 7.64 -1.26 -4.38 113.62 102.37 1uhr n SER 6 Ca 0.00 0.88 0.00 0.00 1.01 0.00 0.00 58.87 60.76 1uhr n SER 6 Cb 0.00 -3.03 0.00 0.00 -1.01 0.00 0.00 64.21 60.17 1uhr n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1uhr n GLY 7 N 1.35 1.03 3.39 0.23 0.00 -1.26 -4.54 105.19 105.39 1uhr n GLY 7 Ca -0.04 -0.59 -0.59 0.00 0.00 0.00 0.00 46.02 44.79 1uhr n GLY 7 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1uhr n GLN 8 N 0.44 0.25 -1.56 1.61 6.02 -1.26 -4.89 117.38 118.00 1uhr n GLN 8 Ca 0.00 0.08 -0.30 0.00 -0.01 0.00 0.00 57.00 56.76 1uhr n GLN 8 Cb 0.00 -1.70 0.08 0.00 1.02 0.00 0.00 30.24 29.64 1uhr n GLN 8 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1uhr s PRO 9 N 5.44 2.24 0.81 -1.09 0.04 -1.26 -5.05 135.00 136.13 1uhr s PRO 9 Ca 1.15 0.70 -0.12 0.00 0.04 0.00 0.00 61.00 62.77 1uhr s PRO 9 Cb -1.37 -1.93 0.08 0.00 0.04 0.00 0.00 34.50 31.32 1uhr s PRO 9 CO 0.66 -1.53 1.10 -1.25 0.04 0.00 0.00 177.00 176.02 1uhr s PRO 10 N -5.14 1.97 -0.30 0.56 0.04 -1.26 -5.06 135.00 125.82 1uhr s PRO 10 Ca 0.60 0.59 -0.11 0.00 0.04 0.00 0.00 61.00 62.12 1uhr s PRO 10 Cb -0.14 -1.91 0.12 0.00 0.04 0.00 0.00 34.50 32.61 1uhr s PRO 10 CO 0.54 -1.69 0.67 -0.65 0.04 0.00 0.00 177.00 175.92 1uhr s GLN 11 N -5.17 0.59 0.10 4.56 -0.21 -1.26 -3.95 119.66 114.32 1uhr s GLN 11 Ca 0.61 1.38 0.04 0.00 0.02 0.00 0.00 55.36 57.41 1uhr s GLN 11 Cb -0.14 0.72 -0.04 0.00 1.00 0.00 0.00 33.01 34.55 1uhr s GLN 11 CO 0.54 -0.19 0.06 -0.06 -2.12 0.00 0.00 175.29 173.53 1uhr s PHE 12 N 2.64 3.11 -0.12 0.91 0.40 0.38 -4.56 117.98 120.74 1uhr s PHE 12 Ca -0.07 0.02 -0.25 0.00 -0.60 0.00 0.00 56.93 56.03 1uhr s PHE 12 Cb -0.10 -1.56 -0.02 0.00 0.51 0.00 0.00 43.02 41.84 1uhr s PHE 12 CO -0.19 0.51 0.80 0.21 0.70 0.00 0.00 175.22 177.24 1uhr s LYS 13 N -2.53 4.37 0.34 0.44 2.20 0.29 -3.27 119.74 121.59 1uhr s LYS 13 Ca 0.28 1.00 -0.26 0.00 -0.36 0.00 0.00 55.97 56.64 1uhr s LYS 13 Cb -0.11 -3.52 -0.10 0.00 -1.51 0.00 0.00 37.83 32.59 1uhr s LYS 13 CO 0.21 -0.16 0.97 -0.51 -0.36 0.00 0.00 175.35 175.50 1uhr s LEU 14 N 1.57 4.30 1.11 5.43 1.43 -1.15 0.13 118.68 131.50 1uhr s LEU 14 Ca 0.39 1.89 -0.14 0.00 -1.03 0.00 0.00 54.13 55.24 1uhr s LEU 14 Cb -0.17 -4.05 0.21 0.00 0.03 0.00 0.00 46.19 42.21 1uhr s LEU 14 CO 0.16 -0.16 0.75 -0.67 0.23 0.00 0.00 176.35 176.66 1uhr n ASP 15 N 0.43 -1.63 0.15 2.29 2.03 -0.66 -4.43 116.55 114.75 1uhr n ASP 15 Ca 0.03 -0.03 0.13 0.00 0.52 0.00 0.00 54.79 55.43 1uhr n ASP 15 Cb 0.50 -1.22 0.45 0.00 -0.72 0.00 0.00 41.12 40.13 1uhr n ASP 15 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1uhr h PRO 16 N -2.35 0.00 0.00 -0.67 0.13 -1.95 1.05 132.00 128.20 1uhr h PRO 16 Ca -0.56 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.32 1uhr h PRO 16 Cb 1.33 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.41 1uhr h PRO 16 CO 0.44 0.00 -2.05 0.54 -0.23 0.00 0.00 178.00 176.70 1uhr n ARG 17 N -2.48 0.66 -0.09 0.86 1.74 -1.26 -4.19 116.66 111.90 1uhr n ARG 17 Ca 0.03 0.04 -0.23 0.00 -0.77 0.00 0.00 57.85 56.92 1uhr n ARG 17 Cb 0.35 -1.61 -0.12 0.00 -1.02 0.00 0.00 32.46 30.07 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 -2.73 2.09 -0.38 0.55 7.94 -1.14 -2.56 117.00 120.77 1uhr n LEU 18 Ca -0.21 0.33 0.38 0.00 -1.11 0.00 0.00 56.01 55.40 1uhr n LEU 18 Cb 0.98 -0.97 0.72 0.00 0.53 0.00 0.00 43.42 44.69 1uhr n LEU 18 CO 0.44 0.48 1.35 0.00 -1.11 0.00 0.00 177.39 178.55 1uhr h ALA 19 N -0.46 3.23 0.00 1.96 0.00 0.94 1.55 119.26 126.48 1uhr h ALA 19 Ca -0.45 -0.05 -0.34 0.00 0.00 0.00 0.00 54.91 54.08 1uhr h ALA 19 Cb 1.54 0.10 -0.06 0.00 0.00 0.00 0.00 17.79 19.37 1uhr h ALA 19 CO -0.19 -1.73 -2.09 2.89 0.00 0.00 0.00 179.25 178.13 1uhr n ARG 20 N -3.90 0.66 0.42 0.00 -4.01 -1.26 -1.92 116.66 106.65 1uhr n ARG 20 Ca 0.29 0.13 -0.18 0.00 -1.04 0.00 0.00 57.85 57.06 1uhr n ARG 20 Cb 1.47 -1.64 -0.09 0.00 -3.04 0.00 0.00 32.46 29.16 1uhr n ARG 20 CO 0.00 0.00 0.00 1.25 -3.04 0.00 0.00 177.63 175.84 1uhr h LEU 21 N 0.00 -1.05 0.10 2.89 5.85 0.24 -3.22 115.31 120.13 1uhr h LEU 21 Ca -0.43 0.05 -0.27 0.00 0.84 0.00 0.00 57.88 58.07 1uhr h LEU 21 Cb 2.14 0.29 -0.01 0.00 0.37 0.00 0.00 40.66 43.46 1uhr h LEU 21 CO 0.05 -0.68 -1.29 -0.07 -0.34 0.00 0.00 178.44 176.11 1uhr h LEU 22 N -1.11 0.32 0.00 2.25 3.38 -1.20 -3.48 115.31 115.48 1uhr h LEU 22 Ca -0.11 -0.38 0.00 0.00 0.09 0.00 0.00 57.88 57.49 1uhr h LEU 22 Cb 0.87 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.52 1uhr h LEU 22 CO 0.14 1.30 0.00 0.61 0.09 0.00 0.00 178.44 180.58 1uhr n GLY 23 N 1.53 0.80 3.39 0.83 0.00 -0.81 -5.04 105.19 105.89 1uhr n GLY 23 Ca -0.09 -0.27 -0.44 0.00 0.00 0.00 0.00 46.02 45.21 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 -2.00 5.20 0.03 -0.61 1.01 -1.02 -4.94 121.20 118.87 1uhr s ILE 24 Ca 0.00 -1.03 -0.11 0.00 0.00 0.00 0.00 60.65 59.51 1uhr s ILE 24 Cb 0.00 -4.09 -0.05 0.00 0.01 0.00 0.00 42.46 38.34 1uhr s ILE 24 CO 0.00 -0.55 1.17 0.45 0.00 0.00 0.00 174.94 176.01 1uhr h HIS 25 N 8.73 -0.44 -2.58 3.97 3.86 -1.96 -3.41 115.15 123.31 1uhr h HIS 25 Ca -0.28 0.01 -0.12 0.00 -1.16 0.00 0.00 60.37 58.82 1uhr h HIS 25 Cb 1.11 0.18 -0.28 0.00 1.06 0.00 0.00 27.41 29.48 1uhr h HIS 25 CO 0.63 -0.19 -0.38 0.99 0.86 0.00 0.00 177.93 179.83 1uhr s THR 26 N -3.84 -0.53 0.05 2.45 2.01 -1.26 -2.94 115.64 111.57 1uhr s THR 26 Ca -0.05 0.17 0.01 0.00 0.31 0.00 0.00 61.69 62.13 1uhr s THR 26 Cb 0.01 -0.63 -0.00 0.00 0.01 0.00 0.00 72.50 71.89 1uhr s THR 26 CO 0.18 0.07 0.04 0.00 -0.69 0.00 0.00 174.62 174.22 1uhr n GLN 27 N 5.23 0.15 -0.05 4.92 3.00 -1.20 -4.93 117.38 124.49 1uhr n GLN 27 Ca -0.10 -0.45 0.00 0.00 -0.01 0.00 0.00 57.00 56.44 1uhr n GLN 27 Cb 0.50 0.36 0.00 0.00 0.00 0.00 0.00 30.24 31.10 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 -0.09 0.00 -0.03 5.09 -2.24 -1.25 -0.47 114.28 115.28 1uhr n THR 28 Ca 0.01 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.60 1uhr n THR 28 Cb 0.08 -1.93 -0.13 0.00 -2.10 0.00 0.00 70.33 66.25 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 0.13 0.00 -0.78 2.43 -1.97 -2.79 114.38 111.39 1uhr h ARG 29 Ca 0.00 -0.21 0.00 0.00 -0.81 0.00 0.00 59.98 58.96 1uhr h ARG 29 Cb 0.00 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.63 1uhr h ARG 29 CO 0.00 1.10 0.00 -0.35 -1.51 0.00 0.00 179.97 179.21 1uhr n PRO 30 N -4.29 0.41 -0.04 0.20 -0.04 -1.26 0.15 135.00 130.13 1uhr n PRO 30 Ca -0.19 0.06 0.03 0.00 -0.04 0.00 0.00 63.50 63.36 1uhr n PRO 30 Cb 0.70 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 32.50 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 -1.23 0.49 -0.11 0.52 0.31 -1.24 -4.04 118.33 113.02 1uhr n VAL 31 Ca 0.12 -0.61 -0.25 0.00 -0.01 0.00 0.00 64.34 63.60 1uhr n VAL 31 Cb 0.16 -0.16 -0.11 0.00 -0.91 0.00 0.00 33.84 32.82 1uhr n VAL 31 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 1uhr n ILE 32 N -2.41 1.55 -0.25 2.52 5.41 -0.97 -3.42 119.36 121.80 1uhr n ILE 32 Ca -0.14 -0.32 0.06 0.00 1.00 0.00 0.00 62.75 63.35 1uhr n ILE 32 Cb 0.76 -1.86 0.19 0.00 -0.71 0.00 0.00 39.64 38.02 1uhr n ILE 32 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 176.55 176.26 1uhr h ILE 33 N -0.77 0.50 0.68 1.39 2.10 -0.53 0.11 117.51 121.00 1uhr h ILE 33 Ca -0.55 -0.09 -0.03 0.00 1.08 0.00 0.00 64.86 65.27 1uhr h ILE 33 Cb 1.59 0.20 0.01 0.00 -1.09 0.00 0.00 36.82 37.53 1uhr h ILE 33 CO -0.26 0.05 -0.33 1.56 -1.08 0.00 0.00 178.15 178.09 1uhr h GLN 34 N 0.27 -0.88 -1.80 2.19 1.08 -1.76 0.37 115.11 114.58 1uhr h GLN 34 Ca 0.43 0.06 0.54 0.00 -1.45 0.00 0.00 58.65 58.23 1uhr h GLN 34 Cb 0.74 0.20 -0.09 0.00 -0.05 0.00 0.00 27.48 28.28 1uhr h GLN 34 CO -0.52 -0.59 1.27 0.00 -0.95 0.00 0.00 178.83 178.04 1uhr h ALA 35 N -1.36 3.59 0.01 3.87 0.00 -1.40 1.55 119.26 125.51 1uhr h ALA 35 Ca -0.09 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1uhr h ALA 35 Cb 0.70 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1uhr h ALA 35 CO 0.15 -2.18 -0.00 1.25 0.00 0.00 0.00 179.25 178.47 1uhr h LEU 36 N 0.01 -0.01 -0.60 0.00 5.85 -0.66 -3.17 115.31 116.74 1uhr h LEU 36 Ca 0.91 -0.86 0.10 0.00 0.84 0.00 0.00 57.88 58.87 1uhr h LEU 36 Cb 3.48 0.00 -0.08 0.00 0.37 0.00 0.00 40.66 44.44 1uhr h LEU 36 CO -0.12 0.89 0.17 -0.50 -0.34 0.00 0.00 178.44 178.54 1uhr h TRP 37 N -0.93 0.29 0.00 1.25 4.06 0.41 1.09 115.95 122.11 1uhr h TRP 37 Ca -0.00 0.03 0.00 0.00 2.06 0.00 0.00 58.89 60.98 1uhr h TRP 37 Cb 0.87 -0.04 0.00 0.00 -1.00 0.00 0.00 29.16 28.99 1uhr h TRP 37 CO 0.24 0.03 0.06 0.37 -3.56 0.00 0.00 178.44 175.58 1uhr h GLN 38 N 0.32 0.00 0.05 0.49 4.15 0.17 0.23 115.11 120.52 1uhr h GLN 38 Ca 0.31 0.00 -0.17 0.00 0.77 0.00 0.00 58.65 59.55 1uhr h GLN 38 Cb 0.42 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.10 1uhr h GLN 38 CO -0.35 0.00 -0.91 -0.92 -1.93 0.00 0.00 178.83 174.72 1uhr h TYR 39 N 0.00 0.18 0.00 3.99 5.03 0.12 -1.53 116.97 124.76 1uhr h TYR 39 Ca 0.00 -0.13 -0.03 0.00 2.58 0.00 0.00 58.73 61.15 1uhr h TYR 39 Cb 0.12 -0.01 -0.00 0.00 1.55 0.00 0.00 36.73 38.39 1uhr h TYR 39 CO 0.00 1.35 -0.16 0.82 -1.32 0.00 0.00 178.16 178.85 1uhr h ILE 40 N -0.74 0.56 0.00 1.81 2.04 -0.43 1.52 117.51 122.28 1uhr h ILE 40 Ca -0.22 -0.76 -0.06 0.00 1.00 0.00 0.00 64.86 64.82 1uhr h ILE 40 Cb 1.38 1.50 -0.01 0.00 -0.74 0.00 0.00 36.82 38.96 1uhr h ILE 40 CO -0.04 0.16 -0.35 0.11 0.00 0.00 0.00 178.15 178.03 1uhr h LYS 41 N 0.00 0.00 -0.25 2.37 6.56 -1.11 0.35 116.57 124.49 1uhr h LYS 41 Ca -0.00 0.00 -0.10 0.00 -1.06 0.00 0.00 60.65 59.49 1uhr h LYS 41 Cb 0.49 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 32.15 1uhr h LYS 41 CO 0.02 0.96 -0.22 1.15 -2.06 0.00 0.00 179.45 179.30 1uhr h THR 42 N -1.00 1.31 -0.00 -0.16 2.02 -1.11 -2.67 112.91 111.30 1uhr h THR 42 Ca -0.09 -1.37 0.00 0.00 0.77 0.00 0.00 66.41 65.71 1uhr h THR 42 Cb 1.05 1.64 0.00 0.00 -1.74 0.00 0.00 68.15 69.10 1uhr h THR 42 CO -0.06 0.43 -0.05 1.41 0.37 0.00 0.00 175.52 177.62 1uhr n HIS 43 N -4.37 0.00 -3.94 3.16 8.25 0.52 -4.92 115.22 113.92 1uhr n HIS 43 Ca -0.04 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.04 1uhr n HIS 43 Cb 0.42 -0.14 0.02 0.00 1.12 0.00 0.00 29.99 31.40 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 -0.94 -0.97 -0.00 -0.41 5.02 -0.29 -4.79 118.16 115.78 1uhr n LYS 44 Ca 0.17 0.25 0.14 0.00 -2.02 0.00 0.00 58.31 56.85 1uhr n LYS 44 Cb 0.23 -3.40 0.79 0.00 -0.02 0.00 0.00 35.03 32.64 1uhr n LYS 44 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1uhr n LEU 45 N -4.64 0.34 -4.62 -0.35 4.77 0.11 -4.88 117.00 107.72 1uhr n LEU 45 Ca -0.14 -0.12 -0.48 0.00 -0.03 0.00 0.00 56.01 55.23 1uhr n LEU 45 Cb 0.60 -0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.64 1uhr n LEU 45 CO 0.73 0.06 0.97 1.67 -1.33 0.00 0.00 177.39 179.49 1uhr n GLN 46 N -0.70 1.59 -2.01 3.23 7.27 -1.25 0.28 117.38 125.80 1uhr n GLN 46 Ca 0.21 0.57 -0.42 0.00 0.07 0.00 0.00 57.00 57.43 1uhr n GLN 46 Cb 0.16 -2.23 -0.03 0.00 2.41 0.00 0.00 30.24 30.55 1uhr n GLN 46 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 1uhr s ASP 47 N 0.49 6.66 0.32 1.69 2.15 -0.83 -4.53 116.67 122.62 1uhr s ASP 47 Ca 0.78 2.53 0.26 0.00 0.43 0.00 0.00 52.55 56.55 1uhr s ASP 47 Cb -0.81 -2.59 0.89 0.00 -0.30 0.00 0.00 42.92 40.11 1uhr s ASP 47 CO 0.46 -0.77 1.76 1.55 -0.17 0.00 0.00 175.17 178.00 1uhr h PRO 48 N 6.81 0.00 0.00 4.34 0.13 -1.90 -3.26 132.00 138.12 1uhr h PRO 48 Ca -0.42 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.69 1uhr h PRO 48 Cb 1.21 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.33 1uhr h PRO 48 CO 0.90 0.00 -0.10 0.45 -0.23 0.00 0.00 178.00 179.02 1uhr h HIS 49 N 0.00 0.00 -4.94 1.56 3.86 -1.96 -3.48 115.15 110.19 1uhr h HIS 49 Ca 0.00 0.00 -0.28 0.00 -1.16 0.00 0.00 60.37 58.93 1uhr h HIS 49 Cb 0.61 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.06 1uhr h HIS 49 CO 0.00 0.47 -0.13 0.39 0.86 0.00 0.00 177.93 179.52 1uhr n GLU 50 N -4.69 1.07 -0.00 2.45 -0.58 -1.23 -5.06 120.64 112.61 1uhr n GLU 50 Ca -0.06 -1.68 0.00 0.00 -0.42 0.00 0.00 57.16 55.01 1uhr n GLU 50 Cb 0.24 0.16 -0.01 0.00 -0.57 0.00 0.00 31.44 31.26 1uhr n GLU 50 CO 0.00 0.00 0.00 2.89 -0.48 0.00 0.00 177.13 179.54 1uhr n ARG 51 N -1.18 2.56 0.00 3.49 1.85 -1.26 -4.38 116.66 117.74 1uhr n ARG 51 Ca -0.00 -0.01 0.11 0.00 -1.00 0.00 0.00 57.85 56.95 1uhr n ARG 51 Cb 0.31 -0.84 -0.15 0.00 -1.05 0.00 0.00 32.46 30.72 1uhr n ARG 51 CO 0.00 0.00 0.00 -0.85 -0.01 0.00 0.00 177.63 176.77 1uhr n GLU 52 N -1.34 0.64 -2.45 2.89 0.00 -1.26 -4.92 120.64 114.20 1uhr n GLU 52 Ca -0.00 -0.17 -0.24 0.00 0.00 0.00 0.00 57.16 56.76 1uhr n GLU 52 Cb 0.02 -1.55 0.05 0.00 0.00 0.00 0.00 31.44 29.96 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 -3.50 2.95 -0.16 -1.84 0.40 -1.26 0.48 117.98 115.05 1uhr s PHE 53 Ca -0.07 0.26 -0.06 0.00 -0.60 0.00 0.00 56.93 56.46 1uhr s PHE 53 Cb 0.14 -2.91 0.07 0.00 0.51 0.00 0.00 43.02 40.82 1uhr s PHE 53 CO 0.90 -1.06 0.34 0.54 0.70 0.00 0.00 175.22 176.63 1uhr s VAL 54 N -2.98 -0.35 -0.37 -0.44 0.11 0.20 -1.96 120.40 114.62 1uhr s VAL 54 Ca 0.58 0.19 -0.28 0.00 -2.93 0.00 0.00 61.98 59.53 1uhr s VAL 54 Cb -0.10 -0.54 0.02 0.00 -1.53 0.00 0.00 36.38 34.23 1uhr s VAL 54 CO 0.42 0.08 1.06 -0.76 -3.33 0.00 0.00 175.10 172.57 1uhr s LEU 55 N 2.10 3.87 0.40 2.54 1.43 0.14 -3.33 118.68 125.84 1uhr s LEU 55 Ca -0.03 0.83 -0.27 0.00 -1.03 0.00 0.00 54.13 53.62 1uhr s LEU 55 Cb -0.11 -3.49 -0.09 0.00 0.03 0.00 0.00 46.19 42.53 1uhr s LEU 55 CO -0.11 -0.96 1.36 0.00 0.23 0.00 0.00 176.35 176.87 1uhr s ASP 57 N -0.53 3.55 0.32 0.00 -4.77 -1.26 -4.45 116.67 109.53 1uhr s ASP 57 Ca 0.56 0.59 0.11 0.00 -3.30 0.00 0.00 52.55 50.51 1uhr s ASP 57 Cb -0.41 -0.90 0.97 0.00 -1.09 0.00 0.00 42.92 41.48 1uhr s ASP 57 CO 0.54 -2.49 1.67 0.07 0.70 0.00 0.00 175.17 175.66 1uhr h LYS 58 N -1.47 0.34 0.43 2.11 2.10 -1.97 1.69 116.57 119.81 1uhr h LYS 58 Ca -0.46 -0.02 -0.02 0.00 -2.00 0.00 0.00 60.65 58.15 1uhr h LYS 58 Cb 1.29 -0.08 0.00 0.00 -0.90 0.00 0.00 32.23 32.55 1uhr h LYS 58 CO 0.52 0.22 -0.21 1.88 -2.00 0.00 0.00 179.45 179.87 1uhr h TYR 59 N 0.35 -0.54 -0.99 0.07 0.05 -1.99 -2.89 116.97 111.04 1uhr h TYR 59 Ca 0.68 -0.01 0.17 0.00 0.05 0.00 0.00 58.73 59.62 1uhr h TYR 59 Cb 1.46 0.18 -0.10 0.00 1.01 0.00 0.00 36.73 39.28 1uhr h TYR 59 CO -0.06 -0.34 0.59 -0.07 -1.05 0.00 0.00 178.16 177.23 1uhr h LEU 60 N -0.88 0.78 -2.68 3.88 3.38 -1.59 1.03 115.31 119.23 1uhr h LEU 60 Ca -0.06 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1uhr h LEU 60 Cb 0.45 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.14 1uhr h LEU 60 CO 0.10 0.31 0.10 1.56 0.09 0.00 0.00 178.44 180.60 1uhr h GLN 61 N 0.79 0.00 0.00 1.13 4.20 0.25 1.76 115.11 123.24 1uhr h GLN 61 Ca 0.55 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.26 1uhr h GLN 61 Cb 0.79 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.57 1uhr h GLN 61 CO -0.36 0.00 -1.24 1.04 -0.67 0.00 0.00 178.83 177.60 1uhr n GLN 62 N -3.09 0.21 -0.07 1.46 1.13 0.34 -2.95 117.38 114.41 1uhr n GLN 62 Ca -0.03 -0.05 -0.07 0.00 -1.94 0.00 0.00 57.00 54.91 1uhr n GLN 62 Cb 0.17 -1.52 -0.02 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 -1.76 1.35 0.05 5.09 5.41 0.17 -4.68 119.36 125.00 1uhr n ILE 63 Ca 0.02 0.19 -0.14 0.00 1.00 0.00 0.00 62.75 63.81 1uhr n ILE 63 Cb 0.41 -2.21 -0.05 0.00 -0.71 0.00 0.00 39.64 37.08 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 -0.83 0.74 -1.74 1.39 0.04 0.21 -3.48 116.94 113.28 1uhr h PHE 64 Ca 0.00 -0.38 -0.23 0.00 2.80 0.00 0.00 57.97 60.16 1uhr h PHE 64 Cb 0.83 -0.09 -0.01 0.00 2.20 0.00 0.00 35.95 38.88 1uhr h PHE 64 CO -0.36 1.19 -0.30 0.39 -0.60 0.00 0.00 178.31 178.63 1uhr n GLU 65 N -3.81 -1.05 -3.86 1.51 1.02 -1.05 -4.99 120.64 108.41 1uhr n GLU 65 Ca -0.07 0.56 -0.30 0.00 -0.02 0.00 0.00 57.16 57.33 1uhr n GLU 65 Cb 0.81 -4.71 -0.15 0.00 -0.02 0.00 0.00 31.44 27.37 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 -2.49 4.30 0.26 1.62 0.01 -1.26 -4.98 113.70 111.15 1uhr s SER 66 Ca 0.01 -1.81 -0.01 0.00 1.31 0.00 0.00 55.95 55.45 1uhr s SER 66 Cb -0.00 -1.18 0.54 0.00 0.21 0.00 0.00 66.02 65.58 1uhr s SER 66 CO 0.01 -0.39 1.74 1.56 0.41 0.00 0.00 173.24 176.58 1uhr h GLN 67 N 7.89 0.51 -3.26 12.44 4.20 -1.92 -3.34 115.11 131.64 1uhr h GLN 67 Ca -0.10 -0.03 -0.32 0.00 0.06 0.00 0.00 58.65 58.26 1uhr h GLN 67 Cb 1.02 -0.12 -0.36 0.00 0.30 0.00 0.00 27.48 28.32 1uhr h GLN 67 CO 0.49 0.34 -0.68 0.50 -0.67 0.00 0.00 178.83 178.80 1uhr s ARG 68 N -5.97 -0.01 0.15 1.46 3.52 -1.26 -3.15 118.95 113.69 1uhr s ARG 68 Ca -0.12 0.41 -0.01 0.00 -0.13 0.00 0.00 55.73 55.88 1uhr s ARG 68 Cb 0.22 -0.34 -0.04 0.00 -1.56 0.00 0.00 34.95 33.23 1uhr s ARG 68 CO 0.77 -0.27 0.07 0.00 -0.81 0.00 0.00 175.30 175.06 1uhr s MET 69 N 1.90 1.01 0.13 5.12 0.23 -1.21 -4.99 119.30 121.49 1uhr s MET 69 Ca 0.00 -1.50 -0.17 0.00 -1.03 0.00 0.00 55.69 53.00 1uhr s MET 69 Cb -0.12 0.19 -0.07 0.00 -1.53 0.00 0.00 34.83 33.30 1uhr s MET 69 CO -0.04 -0.28 0.58 0.15 -2.03 0.00 0.00 175.02 173.40 1uhr s LYS 70 N -4.06 4.08 0.44 3.16 1.02 -1.26 -0.62 119.74 122.49 1uhr s LYS 70 Ca 0.27 0.61 0.19 0.00 0.02 0.00 0.00 55.97 57.07 1uhr s LYS 70 Cb 0.07 -3.02 1.13 0.00 -0.52 0.00 0.00 37.83 35.50 1uhr s LYS 70 CO 0.04 0.52 1.87 0.74 -0.92 0.00 0.00 175.35 177.60 1uhr h PHE 71 N 3.85 0.46 0.00 3.18 0.04 -0.28 1.36 116.94 125.55 1uhr h PHE 71 Ca -0.49 0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.30 1uhr h PHE 71 Cb 1.20 -0.14 0.00 0.00 2.20 0.00 0.00 35.95 39.21 1uhr h PHE 71 CO 0.66 0.13 0.00 0.45 -0.60 0.00 0.00 178.31 178.94 1uhr n SER 72 N -4.48 0.35 -0.84 2.17 2.88 -1.26 -1.82 113.62 110.61 1uhr n SER 72 Ca 0.18 0.57 0.12 0.00 -1.33 0.00 0.00 58.87 58.41 1uhr n SER 72 Cb 0.71 -0.65 0.28 0.00 -0.75 0.00 0.00 64.21 63.80 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 -1.86 2.12 -0.01 -1.46 -0.58 0.46 -4.11 120.64 115.20 1uhr n GLU 73 Ca 0.04 -1.67 -0.16 0.00 -0.42 0.00 0.00 57.16 54.94 1uhr n GLU 73 Cb 0.26 -1.46 -0.11 0.00 -0.57 0.00 0.00 31.44 29.55 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 3.53 1.50 0.00 -3.67 1.08 -1.16 -2.61 117.51 116.19 1uhr h ILE 74 Ca 0.00 -2.04 0.00 0.00 -0.39 0.00 0.00 64.86 62.43 1uhr h ILE 74 Cb 0.77 2.73 0.00 0.00 -3.07 0.00 0.00 36.82 37.25 1uhr h ILE 74 CO 0.00 0.57 0.00 -0.81 -0.69 0.00 0.00 178.15 177.22 1uhr n PRO 75 N -4.37 0.06 0.06 2.37 -0.04 -1.26 -1.35 135.00 130.47 1uhr n PRO 75 Ca -0.10 0.17 0.11 0.00 -0.04 0.00 0.00 63.50 63.65 1uhr n PRO 75 Cb 0.59 -1.59 0.04 0.00 -0.04 0.00 0.00 33.50 32.50 1uhr n PRO 75 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 1uhr n GLN 76 N -1.70 0.42 -0.00 0.54 7.27 -1.20 -3.94 117.38 118.78 1uhr n GLN 76 Ca 0.05 0.05 0.08 0.00 0.07 0.00 0.00 57.00 57.25 1uhr n GLN 76 Cb 0.28 -1.69 -0.12 0.00 2.41 0.00 0.00 30.24 31.12 1uhr n GLN 76 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 1uhr n ARG 77 N -2.26 0.90 -0.08 3.69 3.00 -0.98 -4.34 116.66 116.59 1uhr n ARG 77 Ca 0.01 -0.10 -0.06 0.00 -0.01 0.00 0.00 57.85 57.69 1uhr n ARG 77 Cb 0.48 -1.36 0.12 0.00 0.00 0.00 0.00 32.46 31.71 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 0.73 -1.75 0.55 3.38 -1.33 -2.49 115.31 114.40 1uhr h LEU 78 Ca 0.00 -0.24 0.40 0.00 0.09 0.00 0.00 57.88 58.13 1uhr h LEU 78 Cb 0.63 -0.20 -0.08 0.00 0.09 0.00 0.00 40.66 41.10 1uhr h LEU 78 CO 0.00 0.91 0.94 0.45 0.09 0.00 0.00 178.44 180.83 1uhr h HIS 79 N 0.65 0.24 -0.03 1.13 3.86 -1.76 1.63 115.15 120.87 1uhr h HIS 79 Ca 0.10 0.01 -0.07 0.00 -1.16 0.00 0.00 60.37 59.26 1uhr h HIS 79 Cb 0.65 -0.06 0.00 0.00 1.06 0.00 0.00 27.41 29.06 1uhr h HIS 79 CO 0.03 -0.04 -0.24 0.00 0.86 0.00 0.00 177.93 178.54 1uhr h ALA 80 N 1.40 0.07 0.00 2.45 0.00 -1.73 -3.00 119.26 118.46 1uhr h ALA 80 Ca 0.71 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1uhr h ALA 80 Cb 2.52 0.00 0.00 0.00 0.00 0.00 0.00 17.79 20.32 1uhr h ALA 80 CO -0.15 0.09 0.00 1.28 0.00 0.00 0.00 179.25 180.46 1uhr n LEU 81 N -4.52 0.50 -4.44 0.00 4.77 0.32 -4.44 117.00 109.19 1uhr n LEU 81 Ca -0.09 0.61 -0.42 0.00 -0.03 0.00 0.00 56.01 56.09 1uhr n LEU 81 Cb 0.47 -0.54 -0.11 0.00 -2.33 0.00 0.00 43.42 40.92 1uhr n LEU 81 CO 0.39 -0.44 -0.11 -0.76 -1.33 0.00 0.00 177.39 175.14 1uhr s LEU 82 N -4.08 4.84 0.26 2.23 1.43 0.47 -1.65 118.68 122.18 1uhr s LEU 82 Ca 0.06 -0.83 0.09 0.00 -1.03 0.00 0.00 54.13 52.41 1uhr s LEU 82 Cb 0.10 -2.11 -0.04 0.00 0.03 0.00 0.00 46.19 44.17 1uhr s LEU 82 CO 0.38 -0.38 0.05 -0.04 0.23 0.00 0.00 176.35 176.58 1uhr s MET 83 N 1.64 2.46 -0.22 1.70 -1.94 0.12 -4.77 119.30 118.29 1uhr s MET 83 Ca 0.04 -1.32 -0.29 0.00 -1.71 0.00 0.00 55.69 52.42 1uhr s MET 83 Cb -0.19 -2.27 -0.01 0.00 2.01 0.00 0.00 34.83 34.38 1uhr s MET 83 CO 0.09 0.38 1.31 -1.25 -0.01 0.00 0.00 175.02 175.53 1uhr s PRO 84 N -3.69 4.07 -0.60 2.03 0.04 -1.26 0.11 135.00 135.71 1uhr s PRO 84 Ca 0.32 1.50 -0.06 0.00 0.04 0.00 0.00 61.00 62.80 1uhr s PRO 84 Cb -0.07 -3.83 -0.14 0.00 0.04 0.00 0.00 34.50 30.50 1uhr s PRO 84 CO 0.21 -0.91 2.67 -0.35 0.04 0.00 0.00 177.00 178.66 1uhr n PRO 85 N 6.97 2.13 -4.22 0.56 -0.04 -1.26 -4.81 135.00 134.33 1uhr n PRO 85 Ca 0.15 -1.25 -0.17 0.00 -0.04 0.00 0.00 63.50 62.19 1uhr n PRO 85 Cb 0.46 -2.23 -0.11 0.00 -0.04 0.00 0.00 33.50 31.58 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 0.97 0.00 0.54 2.02 -1.26 -5.02 118.70 118.11 1uhr s GLU 86 Ca 0.51 -1.21 -0.00 0.00 0.02 0.00 0.00 54.97 54.29 1uhr s GLU 86 Cb 0.19 -0.78 -0.02 0.00 0.10 0.00 0.00 34.13 33.63 1uhr s GLU 86 CO -0.02 0.14 1.60 -0.35 0.02 0.00 0.00 175.26 176.65 1uhr n PRO 87 N 0.53 0.81 -3.37 0.39 -0.04 -1.26 -4.52 135.00 127.53 1uhr n PRO 87 Ca -0.16 -0.06 0.02 0.00 -0.04 0.00 0.00 63.50 63.26 1uhr n PRO 87 Cb 0.57 -1.18 -0.04 0.00 -0.04 0.00 0.00 33.50 32.81 1uhr n PRO 87 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1uhr s SER 88 N 2.02 -0.45 0.14 3.54 0.15 -1.26 -5.18 113.70 112.65 1uhr s SER 88 Ca 0.04 0.63 -0.04 0.00 0.70 0.00 0.00 55.95 57.27 1uhr s SER 88 Cb 0.02 1.49 0.02 0.00 -1.71 0.00 0.00 66.02 65.84 1uhr s SER 88 CO 0.00 -0.09 0.26 0.61 1.20 0.00 0.00 173.24 175.22 1uhr n GLY 89 N 4.78 1.81 0.18 9.45 0.00 -1.26 -4.97 105.19 115.18 1uhr n GLY 89 Ca -0.09 -1.15 -0.18 0.00 0.00 0.00 0.00 46.02 44.59 1uhr n GLY 89 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1uhr h PRO 90 N 0.00 0.60 -6.16 1.61 0.13 -1.99 -3.49 132.00 122.71 1uhr h PRO 90 Ca -0.11 -0.58 -0.13 0.00 -0.87 0.00 0.00 66.00 64.30 1uhr h PRO 90 Cb 0.43 0.15 0.01 0.00 0.13 0.00 0.00 31.00 31.72 1uhr h PRO 90 CO 0.15 1.20 -1.02 0.45 -0.23 0.00 0.00 178.00 178.54 1uhr n SER 91 N -4.05 -6.55 -4.50 1.44 2.88 -1.26 -4.97 113.62 96.61 1uhr n SER 91 Ca -0.10 0.37 -0.33 0.00 -1.33 0.00 0.00 58.87 57.49 1uhr n SER 91 Cb 0.74 -2.49 -0.13 0.00 -0.75 0.00 0.00 64.21 61.58 1uhr n SER 91 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1uhr s SER 92 N -1.40 4.30 0.00 -3.46 0.01 -1.26 -5.30 113.70 106.59 1uhr s SER 92 Ca 0.15 -0.15 0.00 0.00 1.31 0.00 0.00 55.95 57.26 1uhr s SER 92 Cb -0.02 -1.15 0.00 0.00 0.21 0.00 0.00 66.02 65.06 1uhr s SER 92 CO 0.47 0.31 0.00 0.61 0.41 0.00 0.00 173.24 175.04