#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 0.14 0.56 1.61 0.01 -1.26 -5.12 113.70 109.64 1uhr s SER 2 Ca 0.00 0.43 0.00 0.00 1.31 0.00 0.00 55.95 57.69 1uhr s SER 2 Cb 0.00 1.14 0.00 0.00 0.21 0.00 0.00 66.02 67.37 1uhr s SER 2 CO 0.00 -0.28 0.00 -0.24 0.41 0.00 0.00 173.24 173.13 1uhr n SER 3 N 5.37 -6.97 0.00 2.44 2.88 -1.26 -4.95 113.62 111.13 1uhr n SER 3 Ca -0.05 1.32 0.00 0.00 -1.33 0.00 0.00 58.87 58.81 1uhr n SER 3 Cb 0.50 -4.42 0.00 0.00 -0.75 0.00 0.00 64.21 59.54 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 -4.01 1.89 3.69 0.46 0.00 -1.26 -5.06 105.19 100.90 1uhr n GLY 4 Ca -0.08 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.68 1uhr n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1uhr s SER 5 N -1.00 4.25 -0.25 1.61 0.01 -1.26 -5.13 113.70 111.94 1uhr s SER 5 Ca 0.00 -1.14 -0.04 0.00 1.31 0.00 0.00 55.95 56.08 1uhr s SER 5 Cb 0.00 -0.47 0.09 0.00 0.21 0.00 0.00 66.02 65.85 1uhr s SER 5 CO 0.00 -0.47 0.13 -0.55 0.41 0.00 0.00 173.24 172.76 1uhr s SER 6 N -3.83 2.95 0.00 2.44 0.15 -1.26 -5.02 113.70 109.14 1uhr s SER 6 Ca 0.39 -0.99 0.00 0.00 0.70 0.00 0.00 55.95 56.04 1uhr s SER 6 Cb 0.05 -0.24 0.00 0.00 -1.71 0.00 0.00 66.02 64.12 1uhr s SER 6 CO 0.21 -0.40 0.00 0.61 1.20 0.00 0.00 173.24 174.86 1uhr n GLY 7 N 5.27 1.02 3.72 9.45 0.00 -1.26 -4.93 105.19 118.46 1uhr n GLY 7 Ca -0.06 -0.67 -0.41 0.00 0.00 0.00 0.00 46.02 44.88 1uhr n GLY 7 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1uhr s GLN 8 N 0.00 4.52 0.73 1.61 -1.52 -1.26 -5.05 119.66 118.69 1uhr s GLN 8 Ca 0.00 1.18 -0.11 0.00 -1.95 0.00 0.00 55.36 54.48 1uhr s GLN 8 Cb 0.00 -3.42 0.03 0.00 -0.22 0.00 0.00 33.01 29.39 1uhr s GLN 8 CO 0.00 0.09 1.07 -1.25 -0.25 0.00 0.00 175.29 174.95 1uhr s PRO 9 N 0.59 2.67 0.65 2.91 0.04 -1.26 -4.97 135.00 135.63 1uhr s PRO 9 Ca 0.44 0.85 -0.13 0.00 0.04 0.00 0.00 61.00 62.20 1uhr s PRO 9 Cb -0.20 -1.97 -0.01 0.00 0.04 0.00 0.00 34.50 32.36 1uhr s PRO 9 CO 0.24 -1.26 1.05 -1.25 0.04 0.00 0.00 177.00 175.83 1uhr s PRO 10 N -5.08 3.13 -0.30 0.56 0.04 -1.26 -5.04 135.00 127.05 1uhr s PRO 10 Ca 0.59 1.04 -0.01 0.00 0.04 0.00 0.00 61.00 62.66 1uhr s PRO 10 Cb -0.14 -2.01 0.19 0.00 0.04 0.00 0.00 34.50 32.57 1uhr s PRO 10 CO 0.55 -0.95 0.59 -0.65 0.04 0.00 0.00 177.00 176.58 1uhr s GLN 11 N -4.66 0.56 0.10 4.56 -0.21 -1.26 -3.39 119.66 115.36 1uhr s GLN 11 Ca 0.60 0.97 0.02 0.00 0.02 0.00 0.00 55.36 56.96 1uhr s GLN 11 Cb -0.14 0.51 -0.04 0.00 1.00 0.00 0.00 33.01 34.34 1uhr s GLN 11 CO 0.47 -0.65 0.20 -0.06 -2.12 0.00 0.00 175.29 173.14 1uhr s PHE 12 N 2.85 3.43 -0.07 0.91 0.40 0.41 -4.52 117.98 121.38 1uhr s PHE 12 Ca 0.20 0.16 -0.26 0.00 -0.60 0.00 0.00 56.93 56.43 1uhr s PHE 12 Cb -0.15 -1.69 -0.03 0.00 0.51 0.00 0.00 43.02 41.66 1uhr s PHE 12 CO -0.21 0.55 0.83 0.21 0.70 0.00 0.00 175.22 177.30 1uhr s LYS 13 N -2.75 4.44 0.29 0.44 2.36 0.47 -3.05 119.74 121.95 1uhr s LYS 13 Ca 0.34 1.09 -0.25 0.00 -2.55 0.00 0.00 55.97 54.60 1uhr s LYS 13 Cb -0.12 -3.48 -0.09 0.00 -1.05 0.00 0.00 37.83 33.08 1uhr s LYS 13 CO 0.27 -0.08 0.89 -0.51 1.55 0.00 0.00 175.35 177.47 1uhr s LEU 14 N 1.23 4.35 1.10 5.43 1.43 -0.89 -0.01 118.68 131.31 1uhr s LEU 14 Ca 0.42 1.74 -0.16 0.00 -1.03 0.00 0.00 54.13 55.11 1uhr s LEU 14 Cb -0.18 -3.89 0.15 0.00 0.03 0.00 0.00 46.19 42.29 1uhr s LEU 14 CO 0.20 -0.03 0.41 0.47 0.23 0.00 0.00 176.35 177.63 1uhr n ASP 15 N 0.64 -1.99 0.18 2.29 9.92 -0.54 -4.38 116.55 122.67 1uhr n ASP 15 Ca 0.01 -0.02 0.14 0.00 -0.53 0.00 0.00 54.79 54.38 1uhr n ASP 15 Cb 0.50 -1.11 0.44 0.00 -0.64 0.00 0.00 41.12 40.31 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 -2.14 0.00 0.00 -0.24 0.13 -1.96 1.07 132.00 128.86 1uhr h PRO 16 Ca -0.54 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.35 1uhr h PRO 16 Cb 1.33 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.42 1uhr h PRO 16 CO 0.41 0.00 -2.05 0.54 -0.23 0.00 0.00 178.00 176.67 1uhr n ARG 17 N -2.63 0.66 -0.07 0.86 1.74 -1.26 -4.32 116.66 111.64 1uhr n ARG 17 Ca 0.03 0.02 -0.22 0.00 -0.77 0.00 0.00 57.85 56.91 1uhr n ARG 17 Cb 0.37 -1.60 -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 -2.69 2.29 -0.56 0.55 7.94 -1.15 -2.60 117.00 120.77 1uhr n LEU 18 Ca -0.21 0.28 0.45 0.00 -1.11 0.00 0.00 56.01 55.42 1uhr n LEU 18 Cb 0.95 -1.01 0.74 0.00 0.53 0.00 0.00 43.42 44.64 1uhr n LEU 18 CO 0.44 0.60 1.35 0.00 -1.11 0.00 0.00 177.39 178.67 1uhr h ALA 19 N -0.28 3.29 0.07 1.96 0.00 0.10 1.08 119.26 125.48 1uhr h ALA 19 Ca -0.44 0.03 -0.37 0.00 0.00 0.00 0.00 54.91 54.13 1uhr h ALA 19 Cb 1.69 0.19 -0.04 0.00 0.00 0.00 0.00 17.79 19.63 1uhr h ALA 19 CO -0.11 -1.89 -2.13 2.89 0.00 0.00 0.00 179.25 178.01 1uhr n ARG 20 N -4.35 0.71 -0.04 0.00 1.85 -1.26 -1.44 116.66 112.14 1uhr n ARG 20 Ca 0.41 0.22 -0.14 0.00 -1.00 0.00 0.00 57.85 57.33 1uhr n ARG 20 Cb 1.72 -1.65 -0.09 0.00 -1.05 0.00 0.00 32.46 31.38 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 0.04 -1.71 0.00 2.89 5.85 0.14 -2.55 115.31 119.96 1uhr h LEU 21 Ca -0.46 0.21 -0.26 0.00 0.84 0.00 0.00 57.88 58.21 1uhr h LEU 21 Cb 2.01 0.68 -0.04 0.00 0.37 0.00 0.00 40.66 43.67 1uhr h LEU 21 CO 0.04 -0.46 -1.46 -0.07 -0.34 0.00 0.00 178.44 176.14 1uhr h LEU 22 N -0.53 0.00 0.00 2.25 3.38 -1.16 -3.48 115.31 115.77 1uhr h LEU 22 Ca 0.05 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1uhr h LEU 22 Cb 0.66 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.41 1uhr h LEU 22 CO -0.47 1.00 0.00 0.61 0.09 0.00 0.00 178.44 179.67 1uhr n GLY 23 N 1.48 0.65 3.58 0.83 0.00 -0.52 -5.03 105.19 106.18 1uhr n GLY 23 Ca -0.11 0.00 -0.42 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 -2.46 4.67 -0.05 -0.61 1.01 -0.90 -4.86 121.20 118.00 1uhr s ILE 24 Ca 0.00 0.90 -0.18 0.00 0.00 0.00 0.00 60.65 61.37 1uhr s ILE 24 Cb 0.00 -4.26 -0.12 0.00 0.01 0.00 0.00 42.46 38.08 1uhr s ILE 24 CO 0.00 -0.51 0.76 0.45 0.00 0.00 0.00 174.94 175.64 1uhr h HIS 25 N 8.57 -0.31 -1.91 3.97 3.86 -1.95 -3.39 115.15 123.99 1uhr h HIS 25 Ca -0.24 -0.01 -0.11 0.00 -1.16 0.00 0.00 60.37 58.85 1uhr h HIS 25 Cb 1.09 0.10 -0.28 0.00 1.06 0.00 0.00 27.41 29.38 1uhr h HIS 25 CO 0.81 0.02 -0.43 0.99 0.86 0.00 0.00 177.93 180.18 1uhr s THR 26 N -3.34 -0.66 0.32 2.45 2.01 -1.26 -2.10 115.64 113.05 1uhr s THR 26 Ca -0.10 -0.01 0.07 0.00 0.31 0.00 0.00 61.69 61.95 1uhr s THR 26 Cb 0.01 -0.81 -0.03 0.00 0.01 0.00 0.00 72.50 71.68 1uhr s THR 26 CO 0.37 -0.07 0.25 0.00 -0.69 0.00 0.00 174.62 174.49 1uhr n GLN 27 N 5.38 0.40 -1.12 4.92 3.00 -1.17 -4.90 117.38 123.89 1uhr n GLN 27 Ca -0.04 -3.12 -0.27 0.00 -0.01 0.00 0.00 57.00 53.55 1uhr n GLN 27 Cb 0.50 2.48 0.22 0.00 0.00 0.00 0.00 30.24 33.45 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 -0.62 0.00 0.04 5.09 -2.24 -1.22 -0.45 114.28 114.89 1uhr n THR 28 Ca 0.06 -0.54 -0.19 0.00 -2.27 0.00 0.00 64.05 61.11 1uhr n THR 28 Cb 0.57 -1.29 -0.13 0.00 -2.10 0.00 0.00 70.33 67.37 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 0.35 0.00 -0.78 2.43 -1.97 -1.92 114.38 112.49 1uhr h ARG 29 Ca -0.38 -0.50 0.00 0.00 -0.81 0.00 0.00 59.98 58.28 1uhr h ARG 29 Cb 1.14 0.17 0.00 0.00 -0.42 0.00 0.00 29.97 30.87 1uhr h ARG 29 CO 0.25 1.20 0.00 -0.35 -1.51 0.00 0.00 179.97 179.57 1uhr n PRO 30 N -4.14 0.32 -0.10 0.20 -0.04 -1.26 -0.71 135.00 129.27 1uhr n PRO 30 Ca -0.13 0.07 -0.15 0.00 -0.04 0.00 0.00 63.50 63.26 1uhr n PRO 30 Cb 0.78 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.60 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 -1.29 1.48 -0.06 0.52 0.31 -1.21 -4.06 118.33 114.02 1uhr n VAL 31 Ca 0.11 -0.70 -0.11 0.00 -0.01 0.00 0.00 64.34 63.63 1uhr n VAL 31 Cb 0.18 -1.06 -0.10 0.00 -0.91 0.00 0.00 33.84 31.96 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 0.01 1.33 -0.97 2.52 2.04 -1.14 -2.67 117.51 118.62 1uhr h ILE 32 Ca -0.54 -1.94 0.31 0.00 1.00 0.00 0.00 64.86 63.69 1uhr h ILE 32 Cb 2.05 2.48 -0.15 0.00 -0.74 0.00 0.00 36.82 40.46 1uhr h ILE 32 CO -0.02 0.44 0.45 -0.29 0.00 0.00 0.00 178.15 178.73 1uhr h ILE 33 N -0.98 0.25 0.58 -0.67 2.10 -1.15 0.92 117.51 118.56 1uhr h ILE 33 Ca -0.00 -0.08 -0.03 0.00 1.08 0.00 0.00 64.86 65.83 1uhr h ILE 33 Cb 0.73 -0.01 0.01 0.00 -1.09 0.00 0.00 36.82 36.46 1uhr h ILE 33 CO 0.00 0.04 -0.28 1.56 -1.08 0.00 0.00 178.15 178.40 1uhr h GLN 34 N 0.24 -0.75 -1.54 2.19 1.08 -1.70 0.88 115.11 115.50 1uhr h GLN 34 Ca 0.69 0.05 0.45 0.00 -1.45 0.00 0.00 58.65 58.39 1uhr h GLN 34 Cb 1.57 0.17 -0.06 0.00 -0.05 0.00 0.00 27.48 29.11 1uhr h GLN 34 CO -0.66 -0.50 1.22 0.00 -0.95 0.00 0.00 178.83 177.94 1uhr h ALA 35 N -1.31 3.45 0.00 3.87 0.00 -0.68 1.25 119.26 125.84 1uhr h ALA 35 Ca -0.08 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 1uhr h ALA 35 Cb 0.60 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1uhr h ALA 35 CO 0.13 -2.02 -0.19 1.25 0.00 0.00 0.00 179.25 178.42 1uhr h LEU 36 N 0.00 0.00 -0.69 0.00 5.85 -0.66 -3.22 115.31 116.59 1uhr h LEU 36 Ca 0.73 -0.87 0.12 0.00 0.84 0.00 0.00 57.88 58.70 1uhr h LEU 36 Cb 3.17 0.00 -0.08 0.00 0.37 0.00 0.00 40.66 44.12 1uhr h LEU 36 CO -0.01 1.05 0.26 -0.50 -0.34 0.00 0.00 178.44 178.90 1uhr h TRP 37 N -1.00 0.45 0.00 1.25 4.06 0.38 1.28 115.95 122.37 1uhr h TRP 37 Ca -0.05 0.03 0.00 0.00 2.06 0.00 0.00 58.89 60.93 1uhr h TRP 37 Cb 1.00 -0.10 0.00 0.00 -1.00 0.00 0.00 29.16 29.06 1uhr h TRP 37 CO 0.24 0.08 0.00 0.94 -3.56 0.00 0.00 178.44 176.14 1uhr n GLN 38 N -5.00 0.13 -0.04 0.49 -0.06 0.19 -0.94 117.38 112.15 1uhr n GLN 38 Ca 0.11 0.61 -0.20 0.00 -2.00 0.00 0.00 57.00 55.52 1uhr n GLN 38 Cb 0.34 -1.90 -0.13 0.00 -4.06 0.00 0.00 30.24 24.49 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 0.23 0.00 3.69 5.03 0.16 -1.83 116.97 124.26 1uhr h TYR 39 Ca 0.00 -0.17 -0.03 0.00 2.58 0.00 0.00 58.73 61.10 1uhr h TYR 39 Cb 0.02 -0.01 -0.00 0.00 1.55 0.00 0.00 36.73 38.28 1uhr h TYR 39 CO 0.00 1.43 -0.16 0.82 -1.32 0.00 0.00 178.16 178.93 1uhr h ILE 40 N -0.63 0.48 0.04 1.81 2.04 -0.47 1.41 117.51 122.18 1uhr h ILE 40 Ca -0.26 -0.85 -0.12 0.00 1.00 0.00 0.00 64.86 64.64 1uhr h ILE 40 Cb 1.49 1.59 -0.00 0.00 -0.74 0.00 0.00 36.82 39.15 1uhr h ILE 40 CO -0.03 0.16 -0.59 0.11 0.00 0.00 0.00 178.15 177.81 1uhr h LYS 41 N 0.00 0.08 -0.17 2.37 1.57 -1.16 0.30 116.57 119.56 1uhr h LYS 41 Ca -0.00 -0.13 -0.13 0.00 -1.87 0.00 0.00 60.65 58.52 1uhr h LYS 41 Cb 0.58 0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.94 1uhr h LYS 41 CO 0.02 1.06 -0.42 1.15 -0.57 0.00 0.00 179.45 180.70 1uhr h THR 42 N -0.82 1.34 -0.04 -0.16 2.02 -1.18 -2.83 112.91 111.25 1uhr h THR 42 Ca -0.14 -1.67 0.00 0.00 0.77 0.00 0.00 66.41 65.37 1uhr h THR 42 Cb 1.26 1.95 0.00 0.00 -1.74 0.00 0.00 68.15 69.63 1uhr h THR 42 CO -0.02 0.51 0.00 1.41 0.37 0.00 0.00 175.52 177.79 1uhr n HIS 43 N -4.25 0.04 -4.06 3.16 8.25 0.48 -4.92 115.22 113.92 1uhr n HIS 43 Ca -0.06 -0.02 -0.45 0.00 -0.26 0.00 0.00 57.72 56.93 1uhr n HIS 43 Cb 0.55 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.67 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 -0.45 -0.31 -0.02 -0.41 4.76 -0.56 -4.78 118.16 116.39 1uhr n LYS 44 Ca 0.18 0.09 0.13 0.00 -2.87 0.00 0.00 58.31 55.84 1uhr n LYS 44 Cb 0.19 -2.32 0.59 0.00 -1.84 0.00 0.00 35.03 31.64 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 -4.81 0.89 -4.64 -0.35 4.77 0.96 -4.90 117.00 108.92 1uhr n LEU 45 Ca -0.12 -0.33 -0.50 0.00 -0.03 0.00 0.00 56.01 55.02 1uhr n LEU 45 Cb 0.56 -0.03 -0.05 0.00 -2.33 0.00 0.00 43.42 41.56 1uhr n LEU 45 CO 0.72 0.17 1.12 1.67 -1.33 0.00 0.00 177.39 179.74 1uhr n GLN 46 N -0.26 1.64 -1.90 3.23 0.00 -1.25 0.01 117.38 118.85 1uhr n GLN 46 Ca 0.18 0.59 -0.42 0.00 -0.00 0.00 0.00 57.00 57.36 1uhr n GLN 46 Cb 0.23 -2.31 -0.03 0.00 0.00 0.00 0.00 30.24 28.13 1uhr n GLN 46 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.06 177.40 1uhr s ASP 47 N 1.37 6.55 0.46 1.69 2.15 -0.35 -4.58 116.67 123.95 1uhr s ASP 47 Ca 0.85 2.67 0.28 0.00 0.43 0.00 0.00 52.55 56.78 1uhr s ASP 47 Cb -0.83 -2.60 0.87 0.00 -0.30 0.00 0.00 42.92 40.06 1uhr s ASP 47 CO 0.46 -0.84 1.79 1.55 -0.17 0.00 0.00 175.17 177.96 1uhr h PRO 48 N 6.63 0.00 0.10 4.34 0.13 -1.89 -3.25 132.00 138.05 1uhr h PRO 48 Ca -0.43 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1uhr h PRO 48 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1uhr h PRO 48 CO 0.91 0.00 -0.05 0.45 -0.23 0.00 0.00 178.00 179.08 1uhr h HIS 49 N 0.00 -0.13 -4.65 1.56 3.86 -1.96 -3.47 115.15 110.35 1uhr h HIS 49 Ca 0.00 -0.00 -0.19 0.00 -1.16 0.00 0.00 60.37 59.02 1uhr h HIS 49 Cb 0.72 0.04 -0.01 0.00 1.06 0.00 0.00 27.41 29.22 1uhr h HIS 49 CO 0.00 0.33 -0.08 0.39 0.86 0.00 0.00 177.93 179.42 1uhr n GLU 50 N -4.83 1.18 -0.00 2.45 -0.58 -1.23 -5.05 120.64 112.57 1uhr n GLU 50 Ca -0.06 -1.15 0.00 0.00 -0.42 0.00 0.00 57.16 55.53 1uhr n GLU 50 Cb 0.25 0.10 -0.00 0.00 -0.57 0.00 0.00 31.44 31.22 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 -1.00 6.41 -0.00 3.49 -4.01 -1.26 -4.46 116.66 115.82 1uhr n ARG 51 Ca 0.00 -0.00 0.06 0.00 -1.04 0.00 0.00 57.85 56.87 1uhr n ARG 51 Cb 0.21 -0.56 -0.08 0.00 -3.04 0.00 0.00 32.46 28.99 1uhr n ARG 51 CO 0.00 0.00 0.00 -0.85 -3.04 0.00 0.00 177.63 173.74 1uhr n GLU 52 N -1.04 1.91 -2.45 2.89 -0.00 -1.26 -4.95 120.64 115.74 1uhr n GLU 52 Ca 0.00 -0.05 -0.25 0.00 -0.00 0.00 0.00 57.16 56.86 1uhr n GLU 52 Cb 0.01 -1.15 0.04 0.00 -0.00 0.00 0.00 31.44 30.35 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 -2.41 3.05 -0.14 -1.84 0.40 -1.26 0.65 117.98 116.42 1uhr s PHE 53 Ca 0.00 0.38 -0.05 0.00 -0.60 0.00 0.00 56.93 56.67 1uhr s PHE 53 Cb 0.08 -2.85 0.07 0.00 0.51 0.00 0.00 43.02 40.83 1uhr s PHE 53 CO 0.47 -0.99 0.29 0.54 0.70 0.00 0.00 175.22 176.23 1uhr s VAL 54 N -2.98 -0.46 -0.46 -0.44 0.11 0.29 -1.21 120.40 115.25 1uhr s VAL 54 Ca 0.56 0.26 -0.29 0.00 -2.93 0.00 0.00 61.98 59.58 1uhr s VAL 54 Cb -0.10 -0.49 0.02 0.00 -1.53 0.00 0.00 36.38 34.28 1uhr s VAL 54 CO 0.43 0.10 1.21 -0.76 -3.33 0.00 0.00 175.10 172.75 1uhr s LEU 55 N 2.45 3.62 0.25 2.54 1.43 0.10 -3.27 118.68 125.81 1uhr s LEU 55 Ca 0.01 0.56 -0.30 0.00 -1.03 0.00 0.00 54.13 53.36 1uhr s LEU 55 Cb -0.12 -3.55 -0.11 0.00 0.03 0.00 0.00 46.19 42.44 1uhr s LEU 55 CO -0.09 -1.30 1.58 0.00 0.23 0.00 0.00 176.35 176.76 1uhr s ASP 57 N 0.66 1.40 0.22 0.00 -4.77 -1.26 -4.38 116.67 108.54 1uhr s ASP 57 Ca 0.65 0.48 -0.11 0.00 -3.30 0.00 0.00 52.55 50.27 1uhr s ASP 57 Cb -0.46 -0.63 0.31 0.00 -1.09 0.00 0.00 42.92 41.05 1uhr s ASP 57 CO 0.42 -3.81 1.65 0.50 0.70 0.00 0.00 175.17 174.63 1uhr h LYS 58 N -2.37 0.08 0.60 2.11 3.64 -1.97 1.50 116.57 120.16 1uhr h LYS 58 Ca -0.44 -0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 58.91 1uhr h LYS 58 Cb 1.27 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.08 1uhr h LYS 58 CO 0.33 0.05 -0.31 1.88 -2.27 0.00 0.00 179.45 179.13 1uhr h TYR 59 N 0.08 -0.82 -0.95 1.91 0.05 -1.99 -2.33 116.97 112.92 1uhr h TYR 59 Ca 0.33 -0.02 0.17 0.00 0.05 0.00 0.00 58.73 59.27 1uhr h TYR 59 Cb 0.55 0.28 -0.10 0.00 1.01 0.00 0.00 36.73 38.46 1uhr h TYR 59 CO -0.41 -0.49 0.55 -0.07 -1.05 0.00 0.00 178.16 176.68 1uhr h LEU 60 N -0.84 0.70 -2.40 3.88 3.38 -1.74 0.99 115.31 119.28 1uhr h LEU 60 Ca -0.08 0.09 0.01 0.00 0.09 0.00 0.00 57.88 57.99 1uhr h LEU 60 Cb 0.65 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.37 1uhr h LEU 60 CO 0.12 0.26 0.19 1.56 0.09 0.00 0.00 178.44 180.67 1uhr h GLN 61 N 0.72 0.00 0.00 1.13 4.20 0.24 1.85 115.11 123.25 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 0.79 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.57 1uhr h GLN 61 CO -0.37 0.00 -1.21 1.04 -0.67 0.00 0.00 178.83 177.61 1uhr n GLN 62 N -3.14 0.23 -0.07 1.46 1.13 0.33 -2.95 117.38 114.38 1uhr n GLN 62 Ca -0.02 -0.05 -0.07 0.00 -1.94 0.00 0.00 57.00 54.93 1uhr n GLN 62 Cb 0.26 -1.53 -0.02 0.00 0.11 0.00 0.00 30.24 29.06 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 -1.80 1.28 0.02 5.09 5.41 0.25 -4.71 119.36 124.89 1uhr n ILE 63 Ca 0.02 0.20 -0.19 0.00 1.00 0.00 0.00 62.75 63.78 1uhr n ILE 63 Cb 0.42 -2.17 -0.11 0.00 -0.71 0.00 0.00 39.64 37.07 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 -0.78 0.85 -1.69 1.39 0.04 0.22 -3.48 116.94 113.49 1uhr h PHE 64 Ca 0.00 -0.46 -0.18 0.00 2.80 0.00 0.00 57.97 60.13 1uhr h PHE 64 Cb 0.78 -0.10 0.01 0.00 2.20 0.00 0.00 35.95 38.84 1uhr h PHE 64 CO -0.34 1.29 -0.25 0.39 -0.60 0.00 0.00 178.31 178.80 1uhr n GLU 65 N -4.02 -1.31 -3.80 1.51 1.02 -1.02 -5.00 120.64 108.03 1uhr n GLU 65 Ca -0.11 0.43 -0.30 0.00 -0.02 0.00 0.00 57.16 57.16 1uhr n GLU 65 Cb 0.79 -4.36 -0.14 0.00 -0.02 0.00 0.00 31.44 27.71 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 -2.70 3.94 0.26 1.62 0.01 -1.26 -4.98 113.70 110.58 1uhr s SER 66 Ca 0.05 -2.58 -0.06 0.00 1.31 0.00 0.00 55.95 54.67 1uhr s SER 66 Cb -0.02 -1.21 0.45 0.00 0.21 0.00 0.00 66.02 65.45 1uhr s SER 66 CO 0.07 -0.28 1.44 0.00 0.41 0.00 0.00 173.24 174.87 1uhr n GLN 67 N 3.63 -0.08 -3.71 12.44 10.64 -1.26 -3.97 117.38 135.06 1uhr n GLN 67 Ca 0.06 1.43 -0.17 0.00 -1.83 0.00 0.00 57.00 56.50 1uhr n GLN 67 Cb 0.35 -2.15 -0.16 0.00 -0.86 0.00 0.00 30.24 27.42 1uhr n GLN 67 CO 0.00 0.00 0.00 0.50 -1.83 0.00 0.00 177.06 175.73 1uhr s ARG 68 N -6.13 -0.02 0.15 2.61 3.52 -1.26 -2.63 118.95 115.19 1uhr s ARG 68 Ca -0.14 0.36 -0.00 0.00 -0.13 0.00 0.00 55.73 55.82 1uhr s ARG 68 Cb 0.25 -0.33 -0.04 0.00 -1.56 0.00 0.00 34.95 33.27 1uhr s ARG 68 CO 0.72 -0.25 0.05 0.00 -0.81 0.00 0.00 175.30 175.01 1uhr s MET 69 N 1.69 1.01 0.20 5.12 0.23 -1.20 -4.99 119.30 121.36 1uhr s MET 69 Ca -0.02 -1.49 -0.18 0.00 -1.03 0.00 0.00 55.69 52.96 1uhr s MET 69 Cb -0.12 0.08 -0.08 0.00 -1.53 0.00 0.00 34.83 33.18 1uhr s MET 69 CO -0.04 -0.23 0.68 0.15 -2.03 0.00 0.00 175.02 173.54 1uhr s LYS 70 N -4.02 4.19 0.56 3.16 1.02 -1.26 -0.55 119.74 122.84 1uhr s LYS 70 Ca 0.25 0.78 0.29 0.00 0.02 0.00 0.00 55.97 57.31 1uhr s LYS 70 Cb 0.07 -2.91 1.46 0.00 -0.52 0.00 0.00 37.83 35.94 1uhr s LYS 70 CO 0.03 0.42 1.92 0.74 -0.92 0.00 0.00 175.35 177.55 1uhr h PHE 71 N 3.50 0.00 0.00 3.18 0.04 -0.09 1.55 116.94 125.12 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 1.19 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.34 1uhr h PHE 71 CO 0.64 0.00 0.00 0.45 -0.60 0.00 0.00 178.31 178.80 1uhr n SER 72 N -4.09 0.27 -0.87 2.17 2.88 -1.26 -2.46 113.62 110.26 1uhr n SER 72 Ca 0.12 0.53 0.12 0.00 -1.33 0.00 0.00 58.87 58.31 1uhr n SER 72 Cb 0.75 -0.60 0.26 0.00 -0.75 0.00 0.00 64.21 63.88 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 -1.76 2.17 -0.00 -1.46 -0.58 0.53 -4.13 120.64 115.41 1uhr n GLU 73 Ca 0.06 -1.73 -0.17 0.00 -0.42 0.00 0.00 57.16 54.89 1uhr n GLU 73 Cb 0.34 -1.47 -0.12 0.00 -0.57 0.00 0.00 31.44 29.63 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 3.72 1.48 0.00 -3.67 1.08 -1.30 -2.62 117.51 116.20 1uhr h ILE 74 Ca 0.00 -2.10 0.00 0.00 -0.39 0.00 0.00 64.86 62.37 1uhr h ILE 74 Cb 0.81 2.72 0.00 0.00 -3.07 0.00 0.00 36.82 37.28 1uhr h ILE 74 CO 0.00 0.60 0.00 -0.81 -0.69 0.00 0.00 178.15 177.25 1uhr n PRO 75 N -4.29 0.07 0.03 2.37 -0.04 -1.26 -1.40 135.00 130.49 1uhr n PRO 75 Ca -0.11 0.19 0.11 0.00 -0.04 0.00 0.00 63.50 63.65 1uhr n PRO 75 Cb 0.64 -1.61 0.05 0.00 -0.04 0.00 0.00 33.50 32.54 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 -1.74 0.30 -0.00 0.54 6.02 -1.20 -3.94 117.38 117.36 1uhr n GLN 76 Ca 0.05 0.02 0.07 0.00 -0.01 0.00 0.00 57.00 57.13 1uhr n GLN 76 Cb 0.28 -1.62 -0.10 0.00 1.02 0.00 0.00 30.24 29.82 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 -2.01 1.44 -0.06 -1.09 3.00 -0.97 -4.39 116.66 112.58 1uhr n ARG 77 Ca 0.02 -0.06 -0.09 0.00 -0.01 0.00 0.00 57.85 57.71 1uhr n ARG 77 Cb 0.44 -1.26 0.07 0.00 0.00 0.00 0.00 32.46 31.70 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 0.77 -1.85 0.55 3.38 -1.36 -2.62 115.31 114.17 1uhr h LEU 78 Ca 0.00 -0.32 0.37 0.00 0.09 0.00 0.00 57.88 58.01 1uhr h LEU 78 Cb 0.49 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.98 1uhr h LEU 78 CO 0.00 1.04 1.00 0.45 0.09 0.00 0.00 178.44 181.02 1uhr h HIS 79 N 0.61 0.00 0.06 1.13 3.86 -1.77 1.70 115.15 120.75 1uhr h HIS 79 Ca 0.06 0.00 -0.17 0.00 -1.16 0.00 0.00 60.37 59.10 1uhr h HIS 79 Cb 0.87 0.00 0.02 0.00 1.06 0.00 0.00 27.41 29.36 1uhr h HIS 79 CO 0.04 0.00 -0.70 0.00 0.86 0.00 0.00 177.93 178.14 1uhr h ALA 80 N 1.19 0.00 0.00 2.45 0.00 -1.75 -3.13 119.26 118.02 1uhr h ALA 80 Ca 0.60 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1uhr h ALA 80 Cb 2.59 0.06 0.00 0.00 0.00 0.00 0.00 17.79 20.44 1uhr h ALA 80 CO -0.01 0.37 0.00 1.28 0.00 0.00 0.00 179.25 180.89 1uhr n LEU 81 N -4.17 0.32 -4.53 0.00 4.77 0.43 -4.58 117.00 109.24 1uhr n LEU 81 Ca -0.12 0.55 -0.38 0.00 -0.03 0.00 0.00 56.01 56.03 1uhr n LEU 81 Cb 0.74 -0.47 -0.11 0.00 -2.33 0.00 0.00 43.42 41.24 1uhr n LEU 81 CO 0.48 -0.22 -0.20 -0.76 -1.33 0.00 0.00 177.39 175.36 1uhr s LEU 82 N -3.64 3.90 0.24 2.23 1.43 0.47 -1.46 118.68 121.85 1uhr s LEU 82 Ca 0.09 -0.16 0.10 0.00 -1.03 0.00 0.00 54.13 53.14 1uhr s LEU 82 Cb 0.13 -2.05 -0.05 0.00 0.03 0.00 0.00 46.19 44.25 1uhr s LEU 82 CO 0.45 -0.08 -0.18 -0.04 0.23 0.00 0.00 176.35 176.73 1uhr s MET 83 N 1.70 1.51 -0.27 1.70 -1.94 0.98 -4.76 119.30 118.22 1uhr s MET 83 Ca 0.06 -1.67 -0.29 0.00 -1.71 0.00 0.00 55.69 52.08 1uhr s MET 83 Cb -0.16 -1.49 -0.00 0.00 2.01 0.00 0.00 34.83 35.18 1uhr s MET 83 CO 0.08 0.27 1.34 -1.25 -0.01 0.00 0.00 175.02 175.45 1uhr s PRO 84 N -3.49 3.95 0.89 2.03 0.04 -1.26 0.18 135.00 137.33 1uhr s PRO 84 Ca 0.26 1.36 -0.15 0.00 0.04 0.00 0.00 61.00 62.51 1uhr s PRO 84 Cb -0.03 -3.88 0.21 0.00 0.04 0.00 0.00 34.50 30.84 1uhr s PRO 84 CO 0.11 -1.08 0.99 -0.35 0.04 0.00 0.00 177.00 176.71 1uhr n PRO 85 N 7.25 -1.88 -4.13 0.56 -0.04 -1.26 -4.86 135.00 130.65 1uhr n PRO 85 Ca 0.15 -1.55 -0.25 0.00 -0.04 0.00 0.00 63.50 61.81 1uhr n PRO 85 Cb 0.46 -1.22 -0.06 0.00 -0.04 0.00 0.00 33.50 32.65 1uhr n PRO 85 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 1uhr s GLU 86 N -5.19 2.75 0.00 0.54 -1.05 -1.26 -4.99 118.70 109.51 1uhr s GLU 86 Ca 0.59 -0.99 -0.00 0.00 -0.15 0.00 0.00 54.97 54.42 1uhr s GLU 86 Cb -0.04 -2.53 -0.01 0.00 -0.44 0.00 0.00 34.13 31.11 1uhr s GLU 86 CO 0.44 0.45 1.58 -0.35 0.95 0.00 0.00 175.26 178.33 1uhr n PRO 87 N -0.48 0.80 -2.73 -4.83 -0.04 -1.26 -4.08 135.00 122.37 1uhr n PRO 87 Ca -0.08 -0.05 0.00 0.00 -0.04 0.00 0.00 63.50 63.33 1uhr n PRO 87 Cb 0.56 -1.17 0.02 0.00 -0.04 0.00 0.00 33.50 32.86 1uhr n PRO 87 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1uhr s SER 88 N 2.02 -0.28 0.26 3.54 1.04 -1.26 -5.17 113.70 113.85 1uhr s SER 88 Ca 0.03 -0.20 -0.01 0.00 0.48 0.00 0.00 55.95 56.25 1uhr s SER 88 Cb 0.01 0.36 -0.04 0.00 0.10 0.00 0.00 66.02 66.46 1uhr s SER 88 CO 0.00 -0.02 0.47 -0.83 0.98 0.00 0.00 173.24 173.84 1uhr s GLY 89 N 1.66 1.66 -0.06 7.32 0.00 -1.26 -5.04 107.32 111.59 1uhr s GLY 89 Ca 0.17 -0.80 -0.14 0.00 0.00 0.00 0.00 44.72 43.95 1uhr s GLY 89 CO -0.14 -0.74 0.54 -0.56 0.00 0.00 0.00 173.10 172.21 1uhr h PRO 90 N 1.55 -0.25 -5.92 2.90 0.13 -2.02 -3.42 132.00 124.97 1uhr h PRO 90 Ca -0.49 0.02 -0.52 0.00 -0.87 0.00 0.00 66.00 64.14 1uhr h PRO 90 Cb 1.20 0.06 -0.01 0.00 0.13 0.00 0.00 31.00 32.38 1uhr h PRO 90 CO 0.65 0.01 1.46 -1.12 -0.23 0.00 0.00 178.00 178.77 1uhr s SER 91 N -5.35 5.16 0.30 1.44 0.01 -1.26 -4.94 113.70 109.06 1uhr s SER 91 Ca -0.08 1.13 0.10 0.00 1.31 0.00 0.00 55.95 58.41 1uhr s SER 91 Cb 0.00 -2.51 -0.05 0.00 0.21 0.00 0.00 66.02 63.67 1uhr s SER 91 CO 0.28 -2.31 -0.05 -0.94 0.41 0.00 0.00 173.24 170.62 1uhr s SER 92 N 9.07 4.15 0.00 2.44 1.04 -1.26 -5.08 113.70 124.06 1uhr s SER 92 Ca 0.87 -0.88 0.17 0.00 0.48 0.00 0.00 55.95 56.60 1uhr s SER 92 Cb -0.21 -0.58 1.01 0.00 0.10 0.00 0.00 66.02 66.34 1uhr s SER 92 CO 0.28 -0.08 1.42 0.61 0.98 0.00 0.00 173.24 176.45