#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uhr s SER 2 N 0.00 3.19 -0.31 1.61 1.04 -1.26 -5.03 113.70 112.94 1uhr s SER 2 Ca 0.00 2.11 0.04 0.00 0.48 0.00 0.00 55.95 58.58 1uhr s SER 2 Cb 0.00 -2.55 0.18 0.00 0.10 0.00 0.00 66.02 63.75 1uhr s SER 2 CO 0.00 -2.92 0.50 -0.44 0.98 0.00 0.00 173.24 171.36 1uhr s SER 3 N -2.81 -0.57 1.21 7.02 0.01 -1.26 -5.12 113.70 112.17 1uhr s SER 3 Ca 0.66 -0.27 -0.19 0.00 1.31 0.00 0.00 55.95 57.46 1uhr s SER 3 Cb -0.22 1.53 0.29 0.00 0.21 0.00 0.00 66.02 67.83 1uhr s SER 3 CO 0.58 -0.31 1.09 0.61 0.41 0.00 0.00 173.24 175.62 1uhr n GLY 4 N 5.22 -2.59 0.00 3.44 0.00 -1.26 -5.09 105.19 104.91 1uhr n GLY 4 Ca 0.04 -1.52 0.00 0.00 0.00 0.00 0.00 46.02 44.54 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 -4.68 0.00 0.11 1.61 2.88 -1.26 -5.06 113.62 107.22 1uhr n SER 5 Ca 0.15 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.69 1uhr n SER 5 Cb 0.57 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.03 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 0.00 -1.82 0.00 -3.46 7.64 -1.26 -5.14 113.62 109.59 1uhr n SER 6 Ca 0.00 0.41 0.00 0.00 1.01 0.00 0.00 58.87 60.29 1uhr n SER 6 Cb 0.00 1.93 0.00 0.00 -1.01 0.00 0.00 64.21 65.13 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 -1.17 3.40 3.66 0.23 0.00 -1.26 -5.07 105.19 104.97 1uhr n GLY 7 Ca 0.00 -0.41 -0.43 0.00 0.00 0.00 0.00 46.02 45.17 1uhr n GLY 7 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1uhr n GLN 8 N 0.00 2.69 -1.65 1.61 7.27 -1.26 -4.95 117.38 121.08 1uhr n GLN 8 Ca 0.00 0.98 -0.31 0.00 0.07 0.00 0.00 57.00 57.73 1uhr n GLN 8 Cb 0.00 -2.95 0.04 0.00 2.41 0.00 0.00 30.24 29.75 1uhr n GLN 8 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 1uhr s PRO 9 N 4.49 3.02 0.83 3.69 0.04 -1.26 -5.05 135.00 140.76 1uhr s PRO 9 Ca 0.90 0.99 -0.12 0.00 0.04 0.00 0.00 61.00 62.81 1uhr s PRO 9 Cb -0.48 -2.00 0.09 0.00 0.04 0.00 0.00 34.50 32.14 1uhr s PRO 9 CO 0.44 -1.04 1.11 -1.25 0.04 0.00 0.00 177.00 176.30 1uhr s PRO 10 N -4.90 1.84 -0.30 0.56 0.04 -1.26 -5.06 135.00 125.93 1uhr s PRO 10 Ca 0.59 0.55 -0.09 0.00 0.04 0.00 0.00 61.00 62.09 1uhr s PRO 10 Cb -0.14 -1.90 0.16 0.00 0.04 0.00 0.00 34.50 32.66 1uhr s PRO 10 CO 0.52 -1.77 0.72 -0.65 0.04 0.00 0.00 177.00 175.86 1uhr s GLN 11 N -5.19 0.50 0.03 4.56 -0.21 -1.26 -3.92 119.66 114.17 1uhr s GLN 11 Ca 0.62 1.14 0.01 0.00 0.02 0.00 0.00 55.36 57.15 1uhr s GLN 11 Cb -0.14 0.67 -0.04 0.00 1.00 0.00 0.00 33.01 34.50 1uhr s GLN 11 CO 0.54 -0.30 0.07 -0.06 -2.12 0.00 0.00 175.29 173.42 1uhr s PHE 12 N 2.82 3.23 0.04 0.91 0.40 -0.07 -4.58 117.98 120.73 1uhr s PHE 12 Ca 0.02 0.14 -0.30 0.00 -0.60 0.00 0.00 56.93 56.19 1uhr s PHE 12 Cb -0.12 -1.68 -0.04 0.00 0.51 0.00 0.00 43.02 41.69 1uhr s PHE 12 CO -0.19 0.53 0.99 0.21 0.70 0.00 0.00 175.22 177.47 1uhr s LYS 13 N -2.01 4.59 0.21 0.44 2.20 0.15 -3.52 119.74 121.80 1uhr s LYS 13 Ca 0.25 1.46 -0.22 0.00 -0.36 0.00 0.00 55.97 57.10 1uhr s LYS 13 Cb -0.12 -3.42 -0.08 0.00 -1.51 0.00 0.00 37.83 32.69 1uhr s LYS 13 CO 0.17 0.02 0.77 -0.51 -0.36 0.00 0.00 175.35 175.43 1uhr s LEU 14 N 0.68 4.43 1.08 5.43 1.43 -1.18 -0.17 118.68 130.38 1uhr s LEU 14 Ca 0.51 1.55 -0.16 0.00 -1.03 0.00 0.00 54.13 55.00 1uhr s LEU 14 Cb -0.22 -3.53 0.12 0.00 0.03 0.00 0.00 46.19 42.59 1uhr s LEU 14 CO 0.29 0.09 0.32 -0.67 0.23 0.00 0.00 176.35 176.60 1uhr n ASP 15 N 1.02 -2.07 0.13 2.29 2.03 -0.57 -4.36 116.55 115.03 1uhr n ASP 15 Ca -0.03 0.01 0.13 0.00 0.52 0.00 0.00 54.79 55.42 1uhr n ASP 15 Cb 0.50 -1.09 0.45 0.00 -0.72 0.00 0.00 41.12 40.26 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 -2.04 0.00 0.00 -0.67 0.13 -1.96 1.01 132.00 128.47 1uhr h PRO 16 Ca -0.52 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.31 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 0.39 0.00 -2.12 0.54 -0.23 0.00 0.00 178.00 176.58 1uhr n ARG 17 N -2.36 0.67 -0.09 0.86 1.74 -1.26 -4.32 116.66 111.90 1uhr n ARG 17 Ca 0.04 0.05 -0.23 0.00 -0.77 0.00 0.00 57.85 56.94 1uhr n ARG 17 Cb 0.34 -1.60 -0.12 0.00 -1.02 0.00 0.00 32.46 30.06 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 -2.77 2.08 -0.71 0.55 7.94 -1.14 -2.53 117.00 120.41 1uhr n LEU 18 Ca -0.25 0.35 0.53 0.00 -1.11 0.00 0.00 56.01 55.53 1uhr n LEU 18 Cb 1.05 -0.98 0.82 0.00 0.53 0.00 0.00 43.42 44.84 1uhr n LEU 18 CO 0.44 0.46 1.49 0.00 -1.11 0.00 0.00 177.39 178.67 1uhr n ALA 19 N -3.44 1.89 -0.11 1.96 0.00 0.35 0.54 120.51 121.71 1uhr n ALA 19 Ca -0.36 0.67 -0.24 0.00 0.00 0.00 0.00 53.44 53.51 1uhr n ALA 19 Cb 0.80 -1.15 -0.11 0.00 0.00 0.00 0.00 19.45 18.99 1uhr n ALA 19 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1uhr n ARG 20 N -3.96 0.60 -0.32 0.00 1.74 -1.26 -1.76 116.66 111.71 1uhr n ARG 20 Ca 0.45 0.40 -0.10 0.00 -0.77 0.00 0.00 57.85 57.82 1uhr n ARG 20 Cb 2.02 -1.64 -0.09 0.00 -1.02 0.00 0.00 32.46 31.73 1uhr n ARG 20 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 1uhr h LEU 21 N -0.80 -1.88 0.09 0.55 5.85 0.39 -0.97 115.31 118.54 1uhr h LEU 21 Ca -0.50 0.28 -0.28 0.00 0.84 0.00 0.00 57.88 58.22 1uhr h LEU 21 Cb 1.54 0.82 -0.01 0.00 0.37 0.00 0.00 40.66 43.38 1uhr h LEU 21 CO -0.24 -0.24 -1.34 -0.07 -0.34 0.00 0.00 178.44 176.21 1uhr h LEU 22 N -0.07 0.31 0.00 2.25 3.38 -1.28 -3.48 115.31 116.42 1uhr h LEU 22 Ca 0.13 -0.38 0.00 0.00 0.09 0.00 0.00 57.88 57.72 1uhr h LEU 22 Cb 0.40 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.05 1uhr h LEU 22 CO -0.77 1.30 0.00 0.61 0.09 0.00 0.00 178.44 179.67 1uhr n GLY 23 N 1.55 0.78 3.53 0.83 0.00 -0.37 -5.03 105.19 106.48 1uhr n GLY 23 Ca -0.10 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.23 4.49 0.05 -0.61 1.01 -0.96 -4.88 121.20 118.07 1uhr s ILE 24 Ca 0.00 0.34 -0.33 0.00 0.00 0.00 0.00 60.65 60.66 1uhr s ILE 24 Cb 0.00 -4.46 -0.18 0.00 0.01 0.00 0.00 42.46 37.83 1uhr s ILE 24 CO 0.00 -0.96 1.50 0.45 0.00 0.00 0.00 174.94 175.92 1uhr h HIS 25 N 9.18 -1.12 -1.39 3.97 3.86 -1.96 -3.40 115.15 124.29 1uhr h HIS 25 Ca -0.26 -0.02 0.01 0.00 -1.16 0.00 0.00 60.37 58.94 1uhr h HIS 25 Cb 1.08 0.38 -0.24 0.00 1.06 0.00 0.00 27.41 29.69 1uhr h HIS 25 CO 0.87 -0.68 -0.33 0.99 0.86 0.00 0.00 177.93 179.65 1uhr s THR 26 N -5.59 -0.87 0.04 2.45 2.01 -1.26 -3.11 115.64 109.30 1uhr s THR 26 Ca -0.17 -0.01 0.00 0.00 0.31 0.00 0.00 61.69 61.82 1uhr s THR 26 Cb 0.02 -0.93 -0.00 0.00 0.01 0.00 0.00 72.50 71.60 1uhr s THR 26 CO 0.52 -0.03 0.01 0.00 -0.69 0.00 0.00 174.62 174.43 1uhr n GLN 27 N 5.41 1.19 -0.13 4.92 3.00 -1.23 -4.91 117.38 125.63 1uhr n GLN 27 Ca -0.03 -0.33 0.00 0.00 -0.01 0.00 0.00 57.00 56.63 1uhr n GLN 27 Cb 0.51 0.15 0.00 0.00 0.00 0.00 0.00 30.24 30.90 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 -0.10 0.00 0.03 5.09 -2.24 -1.25 -0.89 114.28 114.92 1uhr n THR 28 Ca -0.01 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.56 1uhr n THR 28 Cb 0.06 -1.85 -0.14 0.00 -2.10 0.00 0.00 70.33 66.29 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 0.27 0.00 -0.78 2.43 -1.97 -2.28 114.38 112.04 1uhr h ARG 29 Ca 0.00 -0.46 0.00 0.00 -0.81 0.00 0.00 59.98 58.71 1uhr h ARG 29 Cb 0.00 0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.72 1uhr h ARG 29 CO 0.00 1.22 0.00 -0.35 -1.51 0.00 0.00 179.97 179.33 1uhr n PRO 30 N -4.02 0.28 -0.11 0.20 -0.04 -1.26 -0.69 135.00 129.37 1uhr n PRO 30 Ca -0.20 0.08 -0.13 0.00 -0.04 0.00 0.00 63.50 63.21 1uhr n PRO 30 Cb 0.87 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.69 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 -1.31 1.39 0.05 0.52 0.31 -1.24 -3.93 118.33 114.12 1uhr n VAL 31 Ca 0.10 -0.73 -0.20 0.00 -0.01 0.00 0.00 64.34 63.50 1uhr n VAL 31 Cb 0.19 -0.83 -0.14 0.00 -0.91 0.00 0.00 33.84 32.15 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 1.47 -0.89 2.52 2.04 -1.20 -1.86 117.51 119.59 1uhr h ILE 32 Ca -0.55 -2.47 0.10 0.00 1.00 0.00 0.00 64.86 62.95 1uhr h ILE 32 Cb 2.08 3.06 -0.08 0.00 -0.74 0.00 0.00 36.82 41.15 1uhr h ILE 32 CO -0.02 0.71 0.53 -0.29 0.00 0.00 0.00 178.15 179.08 1uhr h ILE 33 N -0.25 0.93 0.37 -0.67 2.10 -1.13 -0.88 117.51 117.98 1uhr h ILE 33 Ca -0.14 -0.30 -0.02 0.00 1.08 0.00 0.00 64.86 65.48 1uhr h ILE 33 Cb 1.64 -0.03 0.00 0.00 -1.09 0.00 0.00 36.82 37.34 1uhr h ILE 33 CO 0.16 0.16 -0.18 1.56 -1.08 0.00 0.00 178.15 178.77 1uhr h GLN 34 N 0.88 -0.48 -1.87 2.19 1.08 -1.68 0.25 115.11 115.49 1uhr h GLN 34 Ca 0.43 0.03 0.55 0.00 -1.45 0.00 0.00 58.65 58.21 1uhr h GLN 34 Cb 0.38 0.11 -0.09 0.00 -0.05 0.00 0.00 27.48 27.84 1uhr h GLN 34 CO -0.25 -0.32 1.33 0.00 -0.95 0.00 0.00 178.83 178.65 1uhr n ALA 35 N -2.52 1.80 -0.07 3.87 0.00 -0.70 0.18 120.51 123.07 1uhr n ALA 35 Ca -0.06 0.67 -0.12 0.00 0.00 0.00 0.00 53.44 53.92 1uhr n ALA 35 Cb 0.20 -1.11 -0.11 0.00 0.00 0.00 0.00 19.45 18.43 1uhr n ALA 35 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1uhr h LEU 36 N 0.00 0.00 -0.65 0.00 5.85 -1.05 -3.22 115.31 116.23 1uhr h LEU 36 Ca 0.92 -0.80 0.12 0.00 0.84 0.00 0.00 57.88 58.95 1uhr h LEU 36 Cb 3.60 0.00 -0.09 0.00 0.37 0.00 0.00 40.66 44.54 1uhr h LEU 36 CO -0.07 0.94 0.20 -0.50 -0.34 0.00 0.00 178.44 178.68 1uhr h TRP 37 N -1.00 0.33 0.00 1.25 -0.00 0.41 1.28 115.95 118.23 1uhr h TRP 37 Ca -0.02 0.04 0.00 0.00 -0.00 0.00 0.00 58.89 58.91 1uhr h TRP 37 Cb 0.85 -0.05 0.00 0.00 -0.00 0.00 0.00 29.16 29.97 1uhr h TRP 37 CO 0.22 0.02 0.08 0.37 -0.00 0.00 0.00 178.44 179.13 1uhr h GLN 38 N 0.34 0.00 0.06 0.49 5.75 0.30 -0.19 115.11 121.87 1uhr h GLN 38 Ca 0.35 0.00 -0.18 0.00 -0.15 0.00 0.00 58.65 58.66 1uhr h GLN 38 Cb 0.51 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.05 1uhr h GLN 38 CO -0.39 0.00 -0.93 -0.92 -2.65 0.00 0.00 178.83 173.94 1uhr h TYR 39 N 0.00 0.25 0.00 3.99 5.03 0.16 -1.04 116.97 125.36 1uhr h TYR 39 Ca 0.00 -0.18 -0.03 0.00 2.58 0.00 0.00 58.73 61.10 1uhr h TYR 39 Cb 0.16 -0.01 -0.00 0.00 1.55 0.00 0.00 36.73 38.42 1uhr h TYR 39 CO 0.00 1.36 -0.14 0.82 -1.32 0.00 0.00 178.16 178.88 1uhr h ILE 40 N -0.64 0.51 0.00 1.81 2.04 -0.51 1.51 117.51 122.24 1uhr h ILE 40 Ca -0.21 -0.69 -0.10 0.00 1.00 0.00 0.00 64.86 64.86 1uhr h ILE 40 Cb 1.45 1.47 -0.02 0.00 -0.74 0.00 0.00 36.82 38.98 1uhr h ILE 40 CO -0.00 0.14 -0.56 0.11 0.00 0.00 0.00 178.15 177.84 1uhr h LYS 41 N 0.00 0.00 -0.45 2.37 1.57 -1.19 0.44 116.57 119.31 1uhr h LYS 41 Ca -0.00 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.64 1uhr h LYS 41 Cb 0.45 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.75 1uhr h LYS 41 CO 0.02 0.96 -0.27 1.15 -0.57 0.00 0.00 179.45 180.74 1uhr h THR 42 N -1.00 1.27 -0.01 -0.16 2.02 -1.02 -2.51 112.91 111.50 1uhr h THR 42 Ca -0.15 -1.44 0.00 0.00 0.77 0.00 0.00 66.41 65.59 1uhr h THR 42 Cb 1.10 1.21 0.00 0.00 -1.74 0.00 0.00 68.15 68.72 1uhr h THR 42 CO -0.09 0.49 -0.10 1.41 0.37 0.00 0.00 175.52 177.60 1uhr n HIS 43 N -4.09 0.00 -3.97 3.16 8.25 0.52 -4.95 115.22 114.14 1uhr n HIS 43 Ca -0.01 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.05 1uhr n HIS 43 Cb 0.49 -0.06 0.02 0.00 1.12 0.00 0.00 29.99 31.55 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 -0.30 -0.75 -0.01 -0.41 5.02 -0.17 -4.79 118.16 116.75 1uhr n LYS 44 Ca 0.16 0.20 0.13 0.00 -2.02 0.00 0.00 58.31 56.79 1uhr n LYS 44 Cb 0.33 -3.18 0.69 0.00 -0.02 0.00 0.00 35.03 32.84 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 -4.74 0.38 -4.64 -0.35 4.77 0.14 -4.88 117.00 107.68 1uhr n LEU 45 Ca -0.13 -0.14 -0.50 0.00 -0.03 0.00 0.00 56.01 55.21 1uhr n LEU 45 Cb 0.59 -0.01 -0.05 0.00 -2.33 0.00 0.00 43.42 41.61 1uhr n LEU 45 CO 0.73 0.07 1.11 1.67 -1.33 0.00 0.00 177.39 179.64 1uhr n GLN 46 N -0.62 1.62 -1.87 3.23 7.27 -1.25 -0.03 117.38 125.72 1uhr n GLN 46 Ca 0.19 0.59 -0.42 0.00 0.07 0.00 0.00 57.00 57.42 1uhr n GLN 46 Cb 0.15 -2.30 -0.03 0.00 2.41 0.00 0.00 30.24 30.47 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 1.27 6.52 0.29 1.69 2.15 -0.83 -4.59 116.67 123.17 1uhr s ASP 47 Ca 0.84 2.70 0.26 0.00 0.43 0.00 0.00 52.55 56.78 1uhr s ASP 47 Cb -0.84 -2.60 0.89 0.00 -0.30 0.00 0.00 42.92 40.08 1uhr s ASP 47 CO 0.46 -0.87 1.76 1.55 -0.17 0.00 0.00 175.17 177.90 1uhr h PRO 48 N 6.72 0.00 0.00 4.34 0.13 -1.90 -3.27 132.00 138.01 1uhr h PRO 48 Ca -0.43 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.68 1uhr h PRO 48 Cb 1.20 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.33 1uhr h PRO 48 CO 0.92 0.00 -0.25 0.45 -0.23 0.00 0.00 178.00 178.90 1uhr h HIS 49 N 0.00 0.00 -1.73 1.56 3.86 -1.96 -3.48 115.15 113.40 1uhr h HIS 49 Ca 0.00 0.00 -0.54 0.00 -1.16 0.00 0.00 60.37 58.67 1uhr h HIS 49 Cb 0.59 0.00 -0.07 0.00 1.06 0.00 0.00 27.41 28.99 1uhr h HIS 49 CO 0.00 0.33 -0.49 -1.21 0.86 0.00 0.00 177.93 177.41 1uhr s GLU 50 N -1.92 2.37 0.00 2.45 0.41 -1.23 -5.03 118.70 115.75 1uhr s GLU 50 Ca -0.10 -1.62 0.17 0.00 -0.41 0.00 0.00 54.97 53.01 1uhr s GLU 50 Cb 0.01 -2.17 -0.03 0.00 -1.78 0.00 0.00 34.13 30.16 1uhr s GLU 50 CO 0.24 -0.01 0.86 0.54 -0.49 0.00 0.00 175.26 176.40 1uhr n ARG 51 N -1.25 1.62 -0.03 1.61 5.12 -1.26 -4.09 116.66 118.38 1uhr n ARG 51 Ca -0.01 -0.70 0.04 0.00 -1.93 0.00 0.00 57.85 55.24 1uhr n ARG 51 Cb 0.62 -1.30 -0.13 0.00 -1.16 0.00 0.00 32.46 30.50 1uhr n ARG 51 CO 0.00 0.00 0.00 -0.85 -1.93 0.00 0.00 177.63 174.85 1uhr n GLU 52 N -0.31 0.78 -2.59 5.56 0.00 -1.26 -4.96 120.64 117.85 1uhr n GLU 52 Ca 0.06 -0.11 -0.23 0.00 0.00 0.00 0.00 57.16 56.88 1uhr n GLU 52 Cb 0.34 -1.39 0.04 0.00 0.00 0.00 0.00 31.44 30.43 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 -2.93 3.02 -0.12 -1.84 0.40 -1.26 0.72 117.98 115.97 1uhr s PHE 53 Ca -0.06 0.25 -0.05 0.00 -0.60 0.00 0.00 56.93 56.47 1uhr s PHE 53 Cb 0.09 -2.74 0.06 0.00 0.51 0.00 0.00 43.02 40.94 1uhr s PHE 53 CO 0.67 -0.85 0.25 0.54 0.70 0.00 0.00 175.22 176.52 1uhr s VAL 54 N -2.85 -0.38 -0.29 -0.44 0.11 0.18 -1.95 120.40 114.78 1uhr s VAL 54 Ca 0.55 0.28 -0.29 0.00 -2.93 0.00 0.00 61.98 59.60 1uhr s VAL 54 Cb -0.10 -0.42 0.01 0.00 -1.53 0.00 0.00 36.38 34.33 1uhr s VAL 54 CO 0.41 0.12 1.17 -0.76 -3.33 0.00 0.00 175.10 172.70 1uhr s LEU 55 N 2.35 3.96 0.28 2.54 1.43 0.95 -3.47 118.68 126.72 1uhr s LEU 55 Ca 0.01 1.20 -0.29 0.00 -1.03 0.00 0.00 54.13 54.02 1uhr s LEU 55 Cb -0.12 -3.54 -0.10 0.00 0.03 0.00 0.00 46.19 42.46 1uhr s LEU 55 CO -0.08 -0.91 1.27 0.00 0.23 0.00 0.00 176.35 176.85 1uhr s ASP 57 N -0.29 3.68 0.35 0.00 1.47 -1.26 -4.35 116.67 116.27 1uhr s ASP 57 Ca 0.51 1.24 0.15 0.00 1.18 0.00 0.00 52.55 55.62 1uhr s ASP 57 Cb -0.37 -1.91 1.14 0.00 -0.34 0.00 0.00 42.92 41.44 1uhr s ASP 57 CO 0.46 -2.48 1.60 0.07 0.68 0.00 0.00 175.17 175.50 1uhr h LYS 58 N -1.44 0.07 0.51 2.11 2.10 -1.96 1.60 116.57 119.55 1uhr h LYS 58 Ca -0.50 -0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.12 1uhr h LYS 58 Cb 1.30 -0.02 0.01 0.00 -0.90 0.00 0.00 32.23 32.62 1uhr h LYS 58 CO 0.59 0.04 -0.25 1.88 -2.00 0.00 0.00 179.45 179.71 1uhr h TYR 59 N 0.07 -0.64 -0.99 0.07 0.05 -1.99 -2.70 116.97 110.84 1uhr h TYR 59 Ca 0.76 -0.02 0.15 0.00 0.05 0.00 0.00 58.73 59.68 1uhr h TYR 59 Cb 1.87 0.21 -0.09 0.00 1.01 0.00 0.00 36.73 39.73 1uhr h TYR 59 CO -0.13 -0.40 0.61 -0.07 -1.05 0.00 0.00 178.16 177.13 1uhr h LEU 60 N -0.87 0.84 -2.67 3.88 3.38 -1.22 0.84 115.31 119.49 1uhr h LEU 60 Ca -0.07 0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1uhr h LEU 60 Cb 0.53 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.19 1uhr h LEU 60 CO 0.12 0.38 0.11 1.56 0.09 0.00 0.00 178.44 180.69 1uhr h GLN 61 N 0.87 0.00 0.00 1.13 4.20 0.22 1.42 115.11 122.95 1uhr h GLN 61 Ca 0.53 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.24 1uhr h GLN 61 Cb 0.68 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.46 1uhr h GLN 61 CO -0.32 0.00 -1.21 1.04 -0.67 0.00 0.00 178.83 177.66 1uhr n GLN 62 N -3.01 0.18 -0.05 1.46 1.13 0.28 -3.03 117.38 114.34 1uhr n GLN 62 Ca -0.03 -0.05 -0.06 0.00 -1.94 0.00 0.00 57.00 54.93 1uhr n GLN 62 Cb 0.17 -1.51 -0.02 0.00 0.11 0.00 0.00 30.24 28.99 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 -1.73 1.03 0.02 5.09 5.41 0.19 -4.68 119.36 124.70 1uhr n ILE 63 Ca 0.02 0.25 -0.12 0.00 1.00 0.00 0.00 62.75 63.90 1uhr n ILE 63 Cb 0.40 -2.03 0.00 0.00 -0.71 0.00 0.00 39.64 37.29 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 -0.64 0.72 -1.53 1.39 0.04 0.13 -3.47 116.94 113.58 1uhr h PHE 64 Ca 0.00 -0.31 -0.21 0.00 2.80 0.00 0.00 57.97 60.25 1uhr h PHE 64 Cb 0.64 -0.11 -0.01 0.00 2.20 0.00 0.00 35.95 38.66 1uhr h PHE 64 CO -0.27 1.09 -0.27 0.39 -0.60 0.00 0.00 178.31 178.64 1uhr n GLU 65 N -3.88 -0.87 -3.79 1.51 1.02 -1.07 -4.99 120.64 108.57 1uhr n GLU 65 Ca -0.05 0.52 -0.30 0.00 -0.02 0.00 0.00 57.16 57.31 1uhr n GLU 65 Cb 0.71 -4.61 -0.14 0.00 -0.02 0.00 0.00 31.44 27.39 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 -2.52 3.92 0.27 1.62 0.01 -1.26 -4.98 113.70 110.76 1uhr s SER 66 Ca 0.00 -2.54 -0.01 0.00 1.31 0.00 0.00 55.95 54.72 1uhr s SER 66 Cb -0.00 -1.18 0.63 0.00 0.21 0.00 0.00 66.02 65.68 1uhr s SER 66 CO 0.00 -0.29 1.65 0.06 0.41 0.00 0.00 173.24 175.08 1uhr h GLN 67 N 6.92 0.20 -3.45 12.44 3.07 -1.90 -3.35 115.11 129.03 1uhr h GLN 67 Ca -0.04 -0.01 -0.37 0.00 0.09 0.00 0.00 58.65 58.31 1uhr h GLN 67 Cb 0.94 -0.04 -0.38 0.00 0.08 0.00 0.00 27.48 28.08 1uhr h GLN 67 CO 0.52 0.13 -0.75 0.50 0.09 0.00 0.00 178.83 179.33 1uhr s ARG 68 N -5.98 0.10 0.16 0.06 3.52 -1.26 -2.74 118.95 112.80 1uhr s ARG 68 Ca -0.12 0.27 -0.01 0.00 -0.13 0.00 0.00 55.73 55.74 1uhr s ARG 68 Cb 0.25 -0.57 -0.04 0.00 -1.56 0.00 0.00 34.95 33.02 1uhr s ARG 68 CO 0.77 -0.29 0.07 0.00 -0.81 0.00 0.00 175.30 175.04 1uhr s MET 69 N 1.90 1.03 0.16 5.12 0.23 -1.23 -4.99 119.30 121.52 1uhr s MET 69 Ca 0.02 -1.50 -0.17 0.00 -1.03 0.00 0.00 55.69 53.00 1uhr s MET 69 Cb -0.12 0.16 -0.07 0.00 -1.53 0.00 0.00 34.83 33.27 1uhr s MET 69 CO -0.03 -0.27 0.63 0.15 -2.03 0.00 0.00 175.02 173.46 1uhr s LYS 70 N -4.05 4.14 0.59 3.16 1.02 -1.26 -0.65 119.74 122.68 1uhr s LYS 70 Ca 0.28 0.69 0.29 0.00 0.02 0.00 0.00 55.97 57.25 1uhr s LYS 70 Cb 0.07 -2.97 1.49 0.00 -0.52 0.00 0.00 37.83 35.90 1uhr s LYS 70 CO 0.05 0.48 1.91 0.74 -0.92 0.00 0.00 175.35 177.60 1uhr h PHE 71 N 3.68 0.00 0.00 3.18 0.04 -0.01 1.65 116.94 125.49 1uhr h PHE 71 Ca -0.48 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.29 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 0.65 0.00 -0.16 0.45 -0.60 0.00 0.00 178.31 178.65 1uhr n SER 72 N -3.73 0.35 -0.81 2.17 2.88 -1.26 -2.93 113.62 110.28 1uhr n SER 72 Ca 0.08 0.34 0.12 0.00 -1.33 0.00 0.00 58.87 58.08 1uhr n SER 72 Cb 0.64 -0.36 0.27 0.00 -0.75 0.00 0.00 64.21 64.02 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 -1.73 2.10 -0.00 -1.46 -0.58 0.56 -4.10 120.64 115.42 1uhr n GLU 73 Ca 0.06 -1.62 -0.17 0.00 -0.42 0.00 0.00 57.16 55.01 1uhr n GLU 73 Cb 0.37 -1.47 -0.12 0.00 -0.57 0.00 0.00 31.44 29.66 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 3.70 1.49 0.00 -3.67 1.08 -1.38 -2.54 117.51 116.19 1uhr h ILE 74 Ca 0.00 -2.09 0.00 0.00 -0.39 0.00 0.00 64.86 62.38 1uhr h ILE 74 Cb 0.79 2.75 0.00 0.00 -3.07 0.00 0.00 36.82 37.29 1uhr h ILE 74 CO 0.00 0.59 0.00 -0.81 -0.69 0.00 0.00 178.15 177.24 1uhr n PRO 75 N -4.32 0.10 0.05 2.37 -0.04 -1.26 -1.64 135.00 130.27 1uhr n PRO 75 Ca -0.10 0.21 0.11 0.00 -0.04 0.00 0.00 63.50 63.68 1uhr n PRO 75 Cb 0.62 -1.65 0.04 0.00 -0.04 0.00 0.00 33.50 32.47 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 -1.83 0.40 -0.01 0.54 6.02 -1.20 -3.91 117.38 117.39 1uhr n GLN 76 Ca 0.05 0.04 0.10 0.00 -0.01 0.00 0.00 57.00 57.17 1uhr n GLN 76 Cb 0.29 -1.67 -0.14 0.00 1.02 0.00 0.00 30.24 29.73 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 -2.22 0.60 -0.18 -1.09 3.00 -0.96 -4.33 116.66 111.49 1uhr n ARG 77 Ca 0.01 -0.12 -0.09 0.00 -0.01 0.00 0.00 57.85 57.64 1uhr n ARG 77 Cb 0.48 -1.45 0.01 0.00 0.00 0.00 0.00 32.46 31.49 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 0.83 -1.24 0.55 3.38 -1.43 -2.60 115.31 114.80 1uhr h LEU 78 Ca 0.00 -0.28 0.46 0.00 0.09 0.00 0.00 57.88 58.15 1uhr h LEU 78 Cb 0.75 -0.22 -0.16 0.00 0.09 0.00 0.00 40.66 41.12 1uhr h LEU 78 CO 0.00 0.90 0.76 1.41 0.09 0.00 0.00 178.44 181.60 1uhr n HIS 79 N -4.37 0.88 0.04 1.13 8.25 -1.26 0.20 115.22 120.09 1uhr n HIS 79 Ca 0.01 0.89 -0.13 0.00 -0.26 0.00 0.00 57.72 58.23 1uhr n HIS 79 Cb 0.28 -1.31 -0.09 0.00 1.12 0.00 0.00 29.99 29.99 1uhr n HIS 79 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1uhr h ALA 80 N 1.75 -0.13 0.00 -1.41 0.00 -1.74 -2.76 119.26 114.97 1uhr h ALA 80 Ca 0.87 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.57 1uhr h ALA 80 Cb 2.63 0.05 0.00 0.00 0.00 0.00 0.00 17.79 20.47 1uhr h ALA 80 CO -0.58 -0.35 0.00 -0.07 0.00 0.00 0.00 179.25 178.25 1uhr h LEU 81 N -0.58 0.00 -8.93 0.00 3.38 0.17 -3.40 115.31 105.95 1uhr h LEU 81 Ca -0.01 0.00 -0.63 0.00 0.09 0.00 0.00 57.88 57.33 1uhr h LEU 81 Cb 0.47 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.08 1uhr h LEU 81 CO 0.02 0.00 -0.21 -0.76 0.09 0.00 0.00 178.44 177.58 1uhr s LEU 82 N -5.82 4.05 0.28 1.67 1.43 0.53 -1.50 118.68 119.31 1uhr s LEU 82 Ca -0.01 0.30 0.12 0.00 -1.03 0.00 0.00 54.13 53.51 1uhr s LEU 82 Cb 0.10 -2.45 -0.05 0.00 0.03 0.00 0.00 46.19 43.82 1uhr s LEU 82 CO 0.45 -0.20 -0.17 -0.04 0.23 0.00 0.00 176.35 176.61 1uhr s MET 83 N 2.10 1.77 -0.26 1.70 -1.94 0.76 -4.76 119.30 118.67 1uhr s MET 83 Ca 0.16 -1.71 -0.29 0.00 -1.71 0.00 0.00 55.69 52.13 1uhr s MET 83 Cb -0.16 -1.83 -0.01 0.00 2.01 0.00 0.00 34.83 34.85 1uhr s MET 83 CO 0.10 0.34 1.33 -1.25 -0.01 0.00 0.00 175.02 175.53 1uhr s PRO 84 N -3.52 3.97 -0.60 2.03 0.04 -1.26 0.34 135.00 135.99 1uhr s PRO 84 Ca 0.30 1.39 -0.06 0.00 0.04 0.00 0.00 61.00 62.67 1uhr s PRO 84 Cb -0.05 -3.87 -0.14 0.00 0.04 0.00 0.00 34.50 30.48 1uhr s PRO 84 CO 0.16 -1.05 2.66 -0.35 0.04 0.00 0.00 177.00 178.46 1uhr n PRO 85 N 7.20 2.13 -1.15 0.56 -0.04 -1.26 -4.87 135.00 137.56 1uhr n PRO 85 Ca 0.15 -1.25 -0.35 0.00 -0.04 0.00 0.00 63.50 62.00 1uhr n PRO 85 Cb 0.46 -2.23 0.08 0.00 -0.04 0.00 0.00 33.50 31.77 1uhr n PRO 85 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1uhr n GLU 86 N 3.27 0.18 0.00 0.54 0.28 -1.26 -5.00 120.64 118.65 1uhr n GLU 86 Ca 0.46 0.11 0.00 0.00 -0.16 0.00 0.00 57.16 57.56 1uhr n GLU 86 Cb 0.43 -1.89 0.00 0.00 1.43 0.00 0.00 31.44 31.42 1uhr n GLU 86 CO 0.00 0.00 0.00 -0.35 -0.16 0.00 0.00 177.13 176.62 1uhr n PRO 87 N -1.13 0.66 -3.23 3.44 -0.04 -1.26 -4.74 135.00 128.69 1uhr n PRO 87 Ca 0.10 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.35 1uhr n PRO 87 Cb 0.51 0.00 0.02 0.00 -0.04 0.00 0.00 33.50 33.99 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 -0.69 -6.66 -4.29 3.54 7.64 -1.26 -4.87 113.62 107.04 1uhr n SER 88 Ca 0.00 0.03 -0.35 0.00 1.01 0.00 0.00 58.87 59.56 1uhr n SER 88 Cb 0.00 -3.54 0.08 0.00 -1.01 0.00 0.00 64.21 59.73 1uhr n SER 88 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1uhr n GLY 89 N -0.58 -2.76 0.12 0.23 0.00 -1.26 -4.92 105.19 96.00 1uhr n GLY 89 Ca -0.02 -0.66 -0.16 0.00 0.00 0.00 0.00 46.02 45.18 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 -1.06 0.28 -2.53 1.61 0.13 -1.96 -3.50 132.00 124.97 1uhr h PRO 90 Ca -0.44 -0.27 0.25 0.00 -0.87 0.00 0.00 66.00 64.67 1uhr h PRO 90 Cb 1.31 0.07 -0.14 0.00 0.13 0.00 0.00 31.00 32.37 1uhr h PRO 90 CO 0.33 0.96 -0.91 0.45 -0.23 0.00 0.00 178.00 178.60 1uhr n SER 91 N -4.41 -5.71 -2.96 1.44 2.88 -1.26 -4.96 113.62 98.63 1uhr n SER 91 Ca -0.09 1.04 -0.01 0.00 -1.33 0.00 0.00 58.87 58.47 1uhr n SER 91 Cb 0.54 -3.58 -0.01 0.00 -0.75 0.00 0.00 64.21 60.42 1uhr n SER 91 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1uhr n SER 92 N -3.70 -6.23 0.00 -3.46 3.41 -1.26 -5.32 113.62 97.06 1uhr n SER 92 Ca -0.07 0.93 0.00 0.00 -0.26 0.00 0.00 58.87 59.47 1uhr n SER 92 Cb 0.50 -3.06 0.00 0.00 -0.26 0.00 0.00 64.21 61.39 1uhr n SER 92 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49