#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 6.63 0.05 1.61 1.04 -1.26 -4.93 113.70 116.84 1uhr s SER 2 Ca 0.00 2.74 -0.20 0.00 0.48 0.00 0.00 55.95 58.97 1uhr s SER 2 Cb 0.00 -2.64 -0.13 0.00 0.10 0.00 0.00 66.02 63.35 1uhr s SER 2 CO 0.00 -0.69 1.39 0.77 0.98 0.00 0.00 173.24 175.69 1uhr h SER 3 N 4.30 0.38 -6.31 7.02 4.64 -2.10 -3.48 113.55 118.01 1uhr h SER 3 Ca -0.47 -0.43 -0.33 0.00 -0.47 0.00 0.00 61.79 60.09 1uhr h SER 3 Cb 1.22 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 1uhr h SER 3 CO 0.73 0.72 -0.80 0.61 -0.87 0.00 0.00 176.83 177.22 1uhr n GLY 4 N 0.04 -1.14 3.76 -0.77 0.00 -1.26 -4.87 105.19 100.95 1uhr n GLY 4 Ca -0.05 0.66 -0.38 0.00 0.00 0.00 0.00 46.02 46.24 1uhr n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1uhr s SER 5 N -2.82 5.91 -0.30 1.61 1.04 -1.26 -5.02 113.70 112.88 1uhr s SER 5 Ca 0.05 2.58 -0.17 0.00 0.48 0.00 0.00 55.95 58.89 1uhr s SER 5 Cb -0.01 -2.63 0.19 0.00 0.10 0.00 0.00 66.02 63.68 1uhr s SER 5 CO 0.85 -1.11 1.20 -0.44 0.98 0.00 0.00 173.24 174.71 1uhr s SER 6 N -1.01 -0.18 1.92 7.02 0.01 -1.26 -5.12 113.70 115.07 1uhr s SER 6 Ca 0.64 0.30 0.00 0.00 1.31 0.00 0.00 55.95 58.20 1uhr s SER 6 Cb -0.36 0.99 0.00 0.00 0.21 0.00 0.00 66.02 66.87 1uhr s SER 6 CO 0.44 -0.05 0.00 0.61 0.41 0.00 0.00 173.24 174.65 1uhr n GLY 7 N 3.10 3.44 3.85 3.44 0.00 -1.26 -4.67 105.19 113.09 1uhr n GLY 7 Ca -0.17 -0.14 -0.32 0.00 0.00 0.00 0.00 46.02 45.40 1uhr n GLY 7 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1uhr s GLN 8 N 0.00 3.95 0.89 1.61 -2.07 -1.26 -5.07 119.66 117.71 1uhr s GLN 8 Ca 0.00 0.76 -0.12 0.00 -1.82 0.00 0.00 55.36 54.17 1uhr s GLN 8 Cb 0.00 -2.29 0.13 0.00 -1.09 0.00 0.00 33.01 29.76 1uhr s GLN 8 CO 0.00 -0.06 1.13 -1.25 -1.32 0.00 0.00 175.29 173.79 1uhr s PRO 9 N -3.63 1.30 0.94 9.60 0.04 -1.26 -5.05 135.00 136.94 1uhr s PRO 9 Ca 0.56 0.35 -0.13 0.00 0.04 0.00 0.00 61.00 61.81 1uhr s PRO 9 Cb -0.10 -1.85 0.16 0.00 0.04 0.00 0.00 34.50 32.74 1uhr s PRO 9 CO 0.25 -2.10 1.15 -1.25 0.04 0.00 0.00 177.00 175.10 1uhr s PRO 10 N -5.26 0.88 -0.29 0.56 0.04 -1.26 -5.06 135.00 124.60 1uhr s PRO 10 Ca 0.63 0.19 -0.15 0.00 0.04 0.00 0.00 61.00 61.71 1uhr s PRO 10 Cb -0.15 -1.82 0.12 0.00 0.04 0.00 0.00 34.50 32.70 1uhr s PRO 10 CO 0.53 -2.36 0.83 -0.65 0.04 0.00 0.00 177.00 175.39 1uhr s GLN 11 N -5.35 0.52 0.05 4.56 -0.21 -1.26 -4.05 119.66 113.92 1uhr s GLN 11 Ca 0.65 0.99 0.07 0.00 0.02 0.00 0.00 55.36 57.09 1uhr s GLN 11 Cb -0.13 0.26 -0.03 0.00 1.00 0.00 0.00 33.01 34.10 1uhr s GLN 11 CO 0.53 -0.13 -0.16 -0.06 -2.12 0.00 0.00 175.29 173.36 1uhr s PHE 12 N 1.81 2.62 -0.08 0.91 0.40 -0.12 -4.50 117.98 119.02 1uhr s PHE 12 Ca -0.08 -0.22 -0.30 0.00 -0.60 0.00 0.00 56.93 55.73 1uhr s PHE 12 Cb -0.06 -1.47 -0.02 0.00 0.51 0.00 0.00 43.02 41.98 1uhr s PHE 12 CO -0.18 0.30 1.01 0.21 0.70 0.00 0.00 175.22 177.26 1uhr s LYS 13 N -1.56 4.45 0.32 0.44 2.36 0.24 -3.58 119.74 122.42 1uhr s LYS 13 Ca 0.16 1.41 -0.27 0.00 -2.55 0.00 0.00 55.97 54.73 1uhr s LYS 13 Cb -0.11 -3.52 -0.10 0.00 -1.05 0.00 0.00 37.83 33.06 1uhr s LYS 13 CO 0.07 -0.26 0.97 -0.51 1.55 0.00 0.00 175.35 177.17 1uhr s LEU 14 N 1.77 4.37 1.10 5.43 1.43 -1.17 -0.58 118.68 131.03 1uhr s LEU 14 Ca 0.50 1.90 -0.15 0.00 -1.03 0.00 0.00 54.13 55.35 1uhr s LEU 14 Cb -0.19 -3.96 0.17 0.00 0.03 0.00 0.00 46.19 42.23 1uhr s LEU 14 CO 0.21 -0.10 0.54 -0.67 0.23 0.00 0.00 176.35 176.56 1uhr n ASP 15 N 0.64 -1.85 0.13 2.29 2.03 -0.78 -4.39 116.55 114.62 1uhr n ASP 15 Ca 0.02 -0.02 0.13 0.00 0.52 0.00 0.00 54.79 55.43 1uhr n ASP 15 Cb 0.49 -1.15 0.45 0.00 -0.72 0.00 0.00 41.12 40.19 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 -2.22 0.00 0.00 -0.67 0.13 -1.95 1.01 132.00 128.30 1uhr h PRO 16 Ca -0.54 0.00 -0.28 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 0.42 0.00 -2.12 0.54 -0.23 0.00 0.00 178.00 176.61 1uhr n ARG 17 N -2.35 0.67 -0.09 0.86 1.74 -1.26 -4.33 116.66 111.90 1uhr n ARG 17 Ca 0.04 0.03 -0.23 0.00 -0.77 0.00 0.00 57.85 56.92 1uhr n ARG 17 Cb 0.34 -1.59 -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 2.07 -0.69 0.55 7.94 -1.14 -2.52 117.00 120.47 1uhr n LEU 18 Ca -0.24 0.34 0.52 0.00 -1.11 0.00 0.00 56.01 55.53 1uhr n LEU 18 Cb 1.02 -0.97 0.81 0.00 0.53 0.00 0.00 43.42 44.81 1uhr n LEU 18 CO 0.44 0.46 1.46 0.00 -1.11 0.00 0.00 177.39 178.64 1uhr n ALA 19 N -3.48 1.85 -0.07 1.96 0.00 0.35 0.14 120.51 121.27 1uhr n ALA 19 Ca -0.37 0.68 -0.20 0.00 0.00 0.00 0.00 53.44 53.55 1uhr n ALA 19 Cb 0.80 -1.14 -0.13 0.00 0.00 0.00 0.00 19.45 18.98 1uhr n ALA 19 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 1uhr n ARG 20 N -4.02 0.69 -0.17 0.00 1.85 -1.26 -1.82 116.66 111.93 1uhr n ARG 20 Ca 0.44 0.23 -0.13 0.00 -1.00 0.00 0.00 57.85 57.39 1uhr n ARG 20 Cb 1.98 -1.61 -0.10 0.00 -1.05 0.00 0.00 32.46 31.68 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 -0.07 -1.88 0.12 2.89 5.85 0.16 -2.43 115.31 119.94 1uhr h LEU 21 Ca -0.51 0.25 -0.31 0.00 0.84 0.00 0.00 57.88 58.16 1uhr h LEU 21 Cb 1.92 0.78 -0.01 0.00 0.37 0.00 0.00 40.66 43.72 1uhr h LEU 21 CO -0.03 -0.38 -1.56 -0.07 -0.34 0.00 0.00 178.44 176.06 1uhr h LEU 22 N -0.34 0.38 0.00 2.25 3.38 -1.32 -3.48 115.31 116.18 1uhr h LEU 22 Ca 0.08 -0.55 0.00 0.00 0.09 0.00 0.00 57.88 57.50 1uhr h LEU 22 Cb 0.56 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.19 1uhr h LEU 22 CO -0.63 1.46 0.00 0.61 0.09 0.00 0.00 178.44 179.97 1uhr n GLY 23 N 1.68 0.50 3.58 0.83 0.00 -0.75 -5.04 105.19 106.00 1uhr n GLY 23 Ca -0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.08 4.31 0.03 -0.61 1.01 -1.08 -4.87 121.20 117.91 1uhr s ILE 24 Ca 0.00 1.00 -0.20 0.00 0.00 0.00 0.00 60.65 61.45 1uhr s ILE 24 Cb 0.00 -4.54 -0.11 0.00 0.01 0.00 0.00 42.46 37.82 1uhr s ILE 24 CO 0.00 -0.95 1.24 0.45 0.00 0.00 0.00 174.94 175.67 1uhr h HIS 25 N 9.18 -0.67 -2.09 3.97 3.86 -1.96 -3.41 115.15 124.04 1uhr h HIS 25 Ca -0.23 -0.02 -0.11 0.00 -1.16 0.00 0.00 60.37 58.85 1uhr h HIS 25 Cb 1.07 0.22 -0.28 0.00 1.06 0.00 0.00 27.41 29.48 1uhr h HIS 25 CO 0.93 -0.42 -0.42 0.99 0.86 0.00 0.00 177.93 179.88 1uhr s THR 26 N -4.46 -0.65 0.00 2.45 2.01 -1.26 -3.04 115.64 110.68 1uhr s THR 26 Ca -0.11 0.03 0.00 0.00 0.31 0.00 0.00 61.69 61.93 1uhr s THR 26 Cb 0.01 -0.77 0.00 0.00 0.01 0.00 0.00 72.50 71.75 1uhr s THR 26 CO 0.32 -0.03 0.00 0.00 -0.69 0.00 0.00 174.62 174.21 1uhr n GLN 27 N 5.38 0.73 -0.15 4.92 3.00 -1.23 -4.93 117.38 125.10 1uhr n GLN 27 Ca -0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.94 1uhr n GLN 27 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.74 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 0.00 0.00 0.00 5.09 -2.24 -1.26 -0.95 114.28 114.93 1uhr n THR 28 Ca 0.00 0.00 -0.20 0.00 -2.27 0.00 0.00 64.05 61.58 1uhr n THR 28 Cb 0.00 -1.82 -0.14 0.00 -2.10 0.00 0.00 70.33 66.27 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 0.21 0.00 -0.78 2.43 -1.97 -2.48 114.38 111.79 1uhr h ARG 29 Ca 0.00 -0.36 0.00 0.00 -0.81 0.00 0.00 59.98 58.81 1uhr h ARG 29 Cb 0.00 0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.68 1uhr h ARG 29 CO 0.00 1.17 0.00 -0.35 -1.51 0.00 0.00 179.97 179.28 1uhr n PRO 30 N -4.10 0.32 -0.10 0.20 -0.04 -1.26 -0.21 135.00 129.81 1uhr n PRO 30 Ca -0.21 0.07 -0.10 0.00 -0.04 0.00 0.00 63.50 63.22 1uhr n PRO 30 Cb 0.81 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.62 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 1.34 -0.09 0.52 0.31 -1.24 -4.08 118.33 113.80 1uhr n VAL 31 Ca 0.11 -0.80 -0.17 0.00 -0.01 0.00 0.00 64.34 63.47 1uhr n VAL 31 Cb 0.18 -0.55 -0.11 0.00 -0.91 0.00 0.00 33.84 32.45 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 1.18 -0.85 2.52 2.04 -1.17 -2.96 117.51 118.27 1uhr h ILE 32 Ca -0.53 -2.12 0.22 0.00 1.00 0.00 0.00 64.86 63.43 1uhr h ILE 32 Cb 2.17 2.46 -0.14 0.00 -0.74 0.00 0.00 36.82 40.58 1uhr h ILE 32 CO 0.02 0.40 0.20 -0.29 0.00 0.00 0.00 178.15 178.48 1uhr h ILE 33 N -1.00 0.34 0.73 -0.67 2.10 -0.83 -0.21 117.51 117.97 1uhr h ILE 33 Ca -0.17 -0.07 -0.04 0.00 1.08 0.00 0.00 64.86 65.66 1uhr h ILE 33 Cb 1.07 0.12 0.01 0.00 -1.09 0.00 0.00 36.82 36.93 1uhr h ILE 33 CO -0.10 0.04 -0.35 1.56 -1.08 0.00 0.00 178.15 178.21 1uhr h GLN 34 N 0.21 -0.95 -1.95 2.19 1.08 -1.71 0.18 115.11 114.15 1uhr h GLN 34 Ca 0.52 0.06 0.57 0.00 -1.45 0.00 0.00 58.65 58.35 1uhr h GLN 34 Cb 1.01 0.22 -0.08 0.00 -0.05 0.00 0.00 27.48 28.58 1uhr h GLN 34 CO -0.64 -0.63 1.43 0.00 -0.95 0.00 0.00 178.83 178.03 1uhr h ALA 35 N -1.33 3.86 0.00 3.87 0.00 -1.04 1.60 119.26 126.22 1uhr h ALA 35 Ca -0.10 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 1uhr h ALA 35 Cb 0.75 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.69 1uhr h ALA 35 CO 0.17 -2.43 -0.11 1.25 0.00 0.00 0.00 179.25 178.12 1uhr h LEU 36 N 0.00 0.00 -0.62 0.00 5.85 -0.69 -3.20 115.31 116.65 1uhr h LEU 36 Ca 0.93 -0.84 0.11 0.00 0.84 0.00 0.00 57.88 58.91 1uhr h LEU 36 Cb 3.77 0.00 -0.08 0.00 0.37 0.00 0.00 40.66 44.72 1uhr h LEU 36 CO -0.01 0.98 0.17 -0.50 -0.34 0.00 0.00 178.44 178.75 1uhr h TRP 37 N -1.00 0.29 0.00 1.25 4.06 0.41 1.24 115.95 122.20 1uhr h TRP 37 Ca -0.03 0.03 0.00 0.00 2.06 0.00 0.00 58.89 60.96 1uhr h TRP 37 Cb 0.91 -0.04 0.00 0.00 -1.00 0.00 0.00 29.16 29.04 1uhr h TRP 37 CO 0.23 0.02 0.01 0.94 -3.56 0.00 0.00 178.44 176.08 1uhr n GLN 38 N -5.08 0.14 -0.07 0.49 7.27 0.21 -0.96 117.38 119.38 1uhr n GLN 38 Ca 0.09 0.63 -0.20 0.00 0.07 0.00 0.00 57.00 57.60 1uhr n GLN 38 Cb 0.32 -1.96 -0.12 0.00 2.41 0.00 0.00 30.24 30.88 1uhr n GLN 38 CO 0.00 0.00 0.00 -0.92 0.07 0.00 0.00 177.06 176.21 1uhr h TYR 39 N 0.00 0.10 0.00 3.69 3.20 0.15 -1.68 116.97 122.44 1uhr h TYR 39 Ca 0.00 -0.07 -0.02 0.00 3.14 0.00 0.00 58.73 61.78 1uhr h TYR 39 Cb 0.03 -0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.29 1uhr h TYR 39 CO 0.00 1.38 -0.07 0.82 -1.64 0.00 0.00 178.16 178.64 1uhr h ILE 40 N -0.84 0.28 0.00 1.81 2.04 -0.37 1.66 117.51 122.09 1uhr h ILE 40 Ca -0.25 -0.51 -0.11 0.00 1.00 0.00 0.00 64.86 64.99 1uhr h ILE 40 Cb 1.33 1.39 -0.02 0.00 -0.74 0.00 0.00 36.82 38.78 1uhr h ILE 40 CO -0.09 0.07 -0.64 0.11 0.00 0.00 0.00 178.15 177.60 1uhr h LYS 41 N 0.00 0.00 -0.39 2.37 1.57 -1.17 0.77 116.57 119.73 1uhr h LYS 41 Ca -0.00 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.62 1uhr h LYS 41 Cb 0.38 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.69 1uhr h LYS 41 CO 0.01 0.92 -0.37 1.15 -0.57 0.00 0.00 179.45 180.59 1uhr h THR 42 N -1.00 1.27 -0.16 -0.16 2.02 -1.10 -2.53 112.91 111.25 1uhr h THR 42 Ca -0.17 -1.55 0.00 0.00 0.77 0.00 0.00 66.41 65.46 1uhr h THR 42 Cb 1.09 1.36 0.00 0.00 -1.74 0.00 0.00 68.15 68.86 1uhr h THR 42 CO -0.10 0.52 0.00 1.41 0.37 0.00 0.00 175.52 177.71 1uhr n HIS 43 N -4.06 0.20 -4.10 3.16 8.25 0.56 -4.93 115.22 114.30 1uhr n HIS 43 Ca -0.02 -0.10 -0.47 0.00 -0.26 0.00 0.00 57.72 56.87 1uhr n HIS 43 Cb 0.54 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 0.21 -0.22 0.00 -0.41 4.76 -0.68 -4.78 118.16 117.05 1uhr n LYS 44 Ca 0.16 0.06 0.15 0.00 -2.87 0.00 0.00 58.31 55.80 1uhr n LYS 44 Cb 0.30 -2.49 0.74 0.00 -1.84 0.00 0.00 35.03 31.73 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 -5.09 0.21 -4.66 -0.35 4.77 0.26 -4.87 117.00 107.27 1uhr n LEU 45 Ca -0.12 0.11 -0.50 0.00 -0.03 0.00 0.00 56.01 55.47 1uhr n LEU 45 Cb 0.56 -0.19 -0.05 0.00 -2.33 0.00 0.00 43.42 41.41 1uhr n LEU 45 CO 0.75 0.04 1.19 1.67 -1.33 0.00 0.00 177.39 179.71 1uhr n GLN 46 N -1.07 1.69 -1.72 3.23 7.27 -1.23 0.02 117.38 125.56 1uhr n GLN 46 Ca 0.16 0.61 -0.42 0.00 0.07 0.00 0.00 57.00 57.42 1uhr n GLN 46 Cb 0.23 -2.35 -0.03 0.00 2.41 0.00 0.00 30.24 30.51 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 4.14 3.95 0.08 1.69 2.03 -0.65 -4.62 116.55 123.18 1uhr n ASP 47 Ca 0.20 1.07 0.12 0.00 0.52 0.00 0.00 54.79 56.71 1uhr n ASP 47 Cb 0.23 -1.57 0.46 0.00 -0.72 0.00 0.00 41.12 39.52 1uhr n ASP 47 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1uhr n PRO 48 N 3.67 0.16 -0.08 -0.67 -0.04 -1.26 -3.45 135.00 133.33 1uhr n PRO 48 Ca 0.15 0.26 -0.11 0.00 -0.04 0.00 0.00 63.50 63.76 1uhr n PRO 48 Cb 0.35 -1.74 -0.07 0.00 -0.04 0.00 0.00 33.50 32.00 1uhr n PRO 48 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1uhr h HIS 49 N 0.00 0.00 -5.05 0.54 3.86 -1.96 -3.48 115.15 109.05 1uhr h HIS 49 Ca 0.00 0.00 -0.34 0.00 -1.16 0.00 0.00 60.37 58.87 1uhr h HIS 49 Cb 0.50 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.94 1uhr h HIS 49 CO 0.00 0.67 -0.17 0.39 0.86 0.00 0.00 177.93 179.68 1uhr n GLU 50 N -4.60 1.03 -0.00 2.45 -0.58 -1.22 -5.06 120.64 112.66 1uhr n GLU 50 Ca -0.13 -2.03 0.01 0.00 -0.42 0.00 0.00 57.16 54.59 1uhr n GLU 50 Cb 0.37 0.24 -0.01 0.00 -0.57 0.00 0.00 31.44 31.47 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 -1.22 3.94 -0.01 3.49 1.85 -1.26 -4.32 116.66 119.13 1uhr n ARG 51 Ca -0.02 -0.01 0.10 0.00 -1.00 0.00 0.00 57.85 56.93 1uhr n ARG 51 Cb 0.37 -0.77 -0.16 0.00 -1.05 0.00 0.00 32.46 30.85 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 -1.25 0.62 -2.60 2.89 0.00 -1.26 -4.93 120.64 114.11 1uhr n GLU 52 Ca 0.00 -0.18 -0.24 0.00 0.00 0.00 0.00 57.16 56.73 1uhr n GLU 52 Cb 0.04 -1.49 0.03 0.00 0.00 0.00 0.00 31.44 30.02 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 -3.43 3.13 -0.11 -1.84 0.40 -1.26 0.10 117.98 114.98 1uhr s PHE 53 Ca -0.07 0.37 -0.04 0.00 -0.60 0.00 0.00 56.93 56.59 1uhr s PHE 53 Cb 0.13 -2.66 0.06 0.00 0.51 0.00 0.00 43.02 41.06 1uhr s PHE 53 CO 0.86 -0.76 0.23 0.54 0.70 0.00 0.00 175.22 176.80 1uhr s VAL 54 N -2.84 -0.28 -0.44 -0.44 0.11 0.61 -1.63 120.40 115.49 1uhr s VAL 54 Ca 0.53 0.26 -0.28 0.00 -2.93 0.00 0.00 61.98 59.57 1uhr s VAL 54 Cb -0.10 -0.39 0.03 0.00 -1.53 0.00 0.00 36.38 34.38 1uhr s VAL 54 CO 0.42 0.11 1.05 -0.76 -3.33 0.00 0.00 175.10 172.59 1uhr s LEU 55 N 2.08 3.81 0.24 2.54 1.43 0.10 -3.10 118.68 125.78 1uhr s LEU 55 Ca -0.01 0.49 -0.30 0.00 -1.03 0.00 0.00 54.13 53.28 1uhr s LEU 55 Cb -0.12 -3.43 -0.10 0.00 0.03 0.00 0.00 46.19 42.57 1uhr s LEU 55 CO -0.08 -1.10 1.48 0.00 0.23 0.00 0.00 176.35 176.89 1uhr n ASP 57 N 2.63 -1.94 -0.22 0.00 5.68 -1.26 -4.36 116.55 117.08 1uhr n ASP 57 Ca 0.08 -1.17 0.02 0.00 -0.50 0.00 0.00 54.79 53.23 1uhr n ASP 57 Cb 0.40 -0.97 0.14 0.00 -1.14 0.00 0.00 41.12 39.54 1uhr n ASP 57 CO 0.00 0.00 0.00 0.50 -1.33 0.00 0.00 177.20 176.37 1uhr h LYS 58 N 0.00 0.32 0.77 0.11 3.64 -1.97 1.17 116.57 120.61 1uhr h LYS 58 Ca -0.40 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 58.92 1uhr h LYS 58 Cb 1.21 -0.07 0.01 0.00 -0.41 0.00 0.00 32.23 32.97 1uhr h LYS 58 CO 0.26 0.21 -0.37 1.88 -2.27 0.00 0.00 179.45 179.16 1uhr h TYR 59 N 0.33 -0.96 -0.89 1.91 0.05 -1.99 -2.56 116.97 112.86 1uhr h TYR 59 Ca 0.35 -0.02 0.15 0.00 0.05 0.00 0.00 58.73 59.26 1uhr h TYR 59 Cb 0.52 0.32 -0.10 0.00 1.01 0.00 0.00 36.73 38.48 1uhr h TYR 59 CO -0.22 -0.60 0.49 -0.07 -1.05 0.00 0.00 178.16 176.71 1uhr h LEU 60 N -1.14 0.61 -2.38 3.88 3.38 -1.78 0.96 115.31 118.84 1uhr h LEU 60 Ca -0.11 0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1uhr h LEU 60 Cb 0.79 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.53 1uhr h LEU 60 CO 0.17 0.25 0.13 1.56 0.09 0.00 0.00 178.44 180.65 1uhr h GLN 61 N 0.68 0.00 0.00 1.13 4.20 0.15 1.79 115.11 123.06 1uhr h GLN 61 Ca 0.49 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.20 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 -0.36 0.00 -1.38 1.04 -0.67 0.00 0.00 178.83 177.46 1uhr n GLN 62 N -2.87 0.28 -0.08 1.46 1.13 0.32 -3.00 117.38 114.62 1uhr n GLN 62 Ca -0.02 -0.08 -0.08 0.00 -1.94 0.00 0.00 57.00 54.88 1uhr n GLN 62 Cb 0.19 -1.52 -0.03 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 -1.84 1.47 0.07 5.09 5.41 0.21 -4.71 119.36 125.07 1uhr n ILE 63 Ca 0.01 0.16 -0.22 0.00 1.00 0.00 0.00 62.75 63.71 1uhr n ILE 63 Cb 0.43 -2.28 -0.13 0.00 -0.71 0.00 0.00 39.64 36.95 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 -0.91 0.94 -1.42 1.39 0.04 0.21 -3.48 116.94 113.71 1uhr h PHE 64 Ca 0.00 -0.58 -0.19 0.00 2.80 0.00 0.00 57.97 59.99 1uhr h PHE 64 Cb 0.91 -0.08 -0.01 0.00 2.20 0.00 0.00 35.95 38.97 1uhr h PHE 64 CO -0.39 1.43 -0.25 0.39 -0.60 0.00 0.00 178.31 178.88 1uhr n GLU 65 N -3.87 -0.84 -3.93 1.51 1.02 -1.00 -4.99 120.64 108.54 1uhr n GLU 65 Ca -0.13 0.47 -0.30 0.00 -0.02 0.00 0.00 57.16 57.17 1uhr n GLU 65 Cb 0.93 -4.50 -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 -2.58 4.38 0.29 1.62 0.01 -1.26 -4.97 113.70 111.19 1uhr s SER 66 Ca 0.01 -2.52 -0.02 0.00 1.31 0.00 0.00 55.95 54.72 1uhr s SER 66 Cb -0.00 -1.49 0.64 0.00 0.21 0.00 0.00 66.02 65.37 1uhr s SER 66 CO 0.01 -0.31 1.59 0.06 0.41 0.00 0.00 173.24 175.00 1uhr h GLN 67 N 7.08 0.03 -2.89 12.44 3.07 -1.93 -3.34 115.11 129.58 1uhr h GLN 67 Ca -0.06 -0.00 -0.20 0.00 0.09 0.00 0.00 58.65 58.48 1uhr h GLN 67 Cb 0.95 -0.01 -0.31 0.00 0.08 0.00 0.00 27.48 28.20 1uhr h GLN 67 CO 0.58 0.02 -0.49 0.50 0.09 0.00 0.00 178.83 179.53 1uhr s ARG 68 N -6.07 0.19 0.12 0.06 3.52 -1.26 -2.95 118.95 112.57 1uhr s ARG 68 Ca -0.13 0.69 0.00 0.00 -0.13 0.00 0.00 55.73 56.16 1uhr s ARG 68 Cb 0.27 -0.05 -0.04 0.00 -1.56 0.00 0.00 34.95 33.57 1uhr s ARG 68 CO 0.77 -0.23 0.01 0.00 -0.81 0.00 0.00 175.30 175.04 1uhr s MET 69 N 1.96 0.90 0.25 5.12 0.23 -1.18 -4.96 119.30 121.61 1uhr s MET 69 Ca -0.03 -1.41 -0.25 0.00 -1.03 0.00 0.00 55.69 52.97 1uhr s MET 69 Cb -0.11 0.05 -0.09 0.00 -1.53 0.00 0.00 34.83 33.15 1uhr s MET 69 CO -0.09 -0.17 0.86 0.15 -2.03 0.00 0.00 175.02 173.75 1uhr s LYS 70 N -3.96 4.57 0.55 3.16 1.02 -1.26 -0.28 119.74 123.54 1uhr s LYS 70 Ca 0.19 1.23 0.29 0.00 0.02 0.00 0.00 55.97 57.70 1uhr s LYS 70 Cb 0.07 -3.01 1.46 0.00 -0.52 0.00 0.00 37.83 35.83 1uhr s LYS 70 CO -0.01 0.42 1.92 0.74 -0.92 0.00 0.00 175.35 177.50 1uhr h PHE 71 N 3.67 0.00 0.00 3.18 0.04 0.41 1.54 116.94 125.77 1uhr h PHE 71 Ca -0.47 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.30 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 0.62 0.00 0.00 0.45 -0.60 0.00 0.00 178.31 178.78 1uhr n SER 72 N -4.10 0.41 -0.89 2.17 2.88 -1.26 -2.26 113.62 110.57 1uhr n SER 72 Ca 0.13 0.56 0.12 0.00 -1.33 0.00 0.00 58.87 58.34 1uhr n SER 72 Cb 0.77 -0.66 0.27 0.00 -0.75 0.00 0.00 64.21 63.83 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 -1.91 2.18 -0.02 -1.46 -0.58 0.52 -4.13 120.64 115.24 1uhr n GLU 73 Ca 0.05 -1.77 -0.16 0.00 -0.42 0.00 0.00 57.16 54.86 1uhr n GLU 73 Cb 0.32 -1.47 -0.11 0.00 -0.57 0.00 0.00 31.44 29.62 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 3.69 1.47 0.00 -3.67 1.08 -1.30 -2.55 117.51 116.22 1uhr h ILE 74 Ca 0.00 -1.91 0.00 0.00 -0.39 0.00 0.00 64.86 62.56 1uhr h ILE 74 Cb 0.80 2.56 0.00 0.00 -3.07 0.00 0.00 36.82 37.11 1uhr h ILE 74 CO 0.00 0.54 0.00 -0.81 -0.69 0.00 0.00 178.15 177.19 1uhr n PRO 75 N -4.39 0.04 0.08 2.37 -0.04 -1.26 -1.18 135.00 130.62 1uhr n PRO 75 Ca -0.09 0.16 0.11 0.00 -0.04 0.00 0.00 63.50 63.64 1uhr n PRO 75 Cb 0.55 -1.56 0.01 0.00 -0.04 0.00 0.00 33.50 32.46 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 -1.64 0.53 -0.04 0.54 7.27 -1.18 -4.00 117.38 118.86 1uhr n GLN 76 Ca 0.05 0.08 0.04 0.00 0.07 0.00 0.00 57.00 57.23 1uhr n GLN 76 Cb 0.27 -1.76 -0.15 0.00 2.41 0.00 0.00 30.24 31.01 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 -2.48 0.73 -0.24 3.69 3.00 -0.97 -4.31 116.66 116.08 1uhr n ARG 77 Ca 0.00 -0.12 0.02 0.00 -0.01 0.00 0.00 57.85 57.74 1uhr n ARG 77 Cb 0.52 -1.48 0.25 0.00 0.00 0.00 0.00 32.46 31.75 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 0.87 -1.82 0.55 3.38 -1.28 -0.21 115.31 116.79 1uhr h LEU 78 Ca -0.17 -0.01 0.32 0.00 0.09 0.00 0.00 57.88 58.11 1uhr h LEU 78 Cb 1.34 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.84 1uhr h LEU 78 CO 0.01 0.60 0.92 0.45 0.09 0.00 0.00 178.44 180.51 1uhr h HIS 79 N 1.01 0.00 0.03 1.13 3.86 -1.75 1.47 115.15 120.90 1uhr h HIS 79 Ca 0.31 0.00 -0.13 0.00 -1.16 0.00 0.00 60.37 59.39 1uhr h HIS 79 Cb -0.00 0.00 0.01 0.00 1.06 0.00 0.00 27.41 28.48 1uhr h HIS 79 CO -0.00 0.00 -0.52 0.00 0.86 0.00 0.00 177.93 178.27 1uhr h ALA 80 N 1.21 0.03 0.00 2.45 0.00 -1.31 -3.10 119.26 118.54 1uhr h ALA 80 Ca 0.53 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1uhr h ALA 80 Cb 2.36 0.04 0.00 0.00 0.00 0.00 0.00 17.79 20.18 1uhr h ALA 80 CO -0.01 0.27 0.00 1.28 0.00 0.00 0.00 179.25 180.79 1uhr n LEU 81 N -4.30 0.08 -4.47 0.00 4.77 0.34 -4.56 117.00 108.87 1uhr n LEU 81 Ca -0.11 0.51 -0.38 0.00 -0.03 0.00 0.00 56.01 56.00 1uhr n LEU 81 Cb 0.65 -0.49 -0.12 0.00 -2.33 0.00 0.00 43.42 41.13 1uhr n LEU 81 CO 0.44 -0.15 -0.21 -0.76 -1.33 0.00 0.00 177.39 175.38 1uhr s LEU 82 N -3.17 3.98 0.25 2.23 1.43 0.42 -1.87 118.68 121.95 1uhr s LEU 82 Ca 0.10 -0.36 0.11 0.00 -1.03 0.00 0.00 54.13 52.95 1uhr s LEU 82 Cb 0.14 -2.01 -0.05 0.00 0.03 0.00 0.00 46.19 44.30 1uhr s LEU 82 CO 0.41 -0.14 -0.17 -0.04 0.23 0.00 0.00 176.35 176.65 1uhr s MET 83 N 1.65 1.79 -0.31 1.70 -1.94 0.26 -4.76 119.30 117.68 1uhr s MET 83 Ca 0.05 -1.63 -0.29 0.00 -1.71 0.00 0.00 55.69 52.12 1uhr s MET 83 Cb -0.16 -1.88 -0.00 0.00 2.01 0.00 0.00 34.83 34.79 1uhr s MET 83 CO 0.07 0.36 1.35 -1.25 -0.01 0.00 0.00 175.02 175.54 1uhr s PRO 84 N -3.34 3.85 0.95 2.03 0.04 -1.26 0.82 135.00 138.09 1uhr s PRO 84 Ca 0.28 1.25 -0.13 0.00 0.04 0.00 0.00 61.00 62.44 1uhr s PRO 84 Cb -0.06 -3.92 0.16 0.00 0.04 0.00 0.00 34.50 30.72 1uhr s PRO 84 CO 0.15 -1.20 1.16 -1.25 0.04 0.00 0.00 177.00 175.89 1uhr s PRO 85 N 4.33 0.85 0.23 0.56 0.04 -1.26 -4.86 135.00 134.89 1uhr s PRO 85 Ca 0.59 0.17 0.05 0.00 0.04 0.00 0.00 61.00 61.86 1uhr s PRO 85 Cb -0.17 -1.82 -0.03 0.00 0.04 0.00 0.00 34.50 32.52 1uhr s PRO 85 CO 0.25 -2.37 0.27 -1.21 0.04 0.00 0.00 177.00 173.98 1uhr s GLU 86 N -5.36 3.19 0.21 4.56 2.02 -1.26 -5.02 118.70 117.04 1uhr s GLU 86 Ca 0.66 -0.86 0.08 0.00 0.02 0.00 0.00 54.97 54.87 1uhr s GLU 86 Cb -0.13 -2.75 0.14 0.00 0.10 0.00 0.00 34.13 31.49 1uhr s GLU 86 CO 0.53 0.44 1.48 -1.00 0.02 0.00 0.00 175.26 176.73 1uhr h PRO 87 N 1.54 0.04 -3.09 0.39 0.13 -2.04 -3.38 132.00 125.59 1uhr h PRO 87 Ca -0.50 -0.04 -0.62 0.00 -0.87 0.00 0.00 66.00 63.97 1uhr h PRO 87 Cb 1.23 0.01 -0.41 0.00 0.13 0.00 0.00 31.00 31.96 1uhr h PRO 87 CO 0.62 0.78 -0.69 0.45 -0.23 0.00 0.00 178.00 178.93 1uhr s SER 88 N -6.82 3.93 -0.16 1.44 0.15 -1.26 -5.06 113.70 105.92 1uhr s SER 88 Ca -0.01 -3.01 -0.07 0.00 0.70 0.00 0.00 55.95 53.57 1uhr s SER 88 Cb 0.12 -1.30 0.07 0.00 -1.71 0.00 0.00 66.02 63.20 1uhr s SER 88 CO 0.79 -0.22 0.35 -0.83 1.20 0.00 0.00 173.24 174.54 1uhr s GLY 89 N -0.21 -0.26 -0.62 9.45 0.00 -1.26 -5.11 107.32 109.32 1uhr s GLY 89 Ca 0.20 1.29 -0.27 0.00 0.00 0.00 0.00 44.72 45.93 1uhr s GLY 89 CO -0.04 1.94 1.53 2.56 0.00 0.00 0.00 173.10 179.09 1uhr s PRO 90 N 2.05 3.05 -0.97 2.90 0.04 -1.26 -4.92 135.00 135.89 1uhr s PRO 90 Ca -0.04 0.33 -0.24 0.00 0.04 0.00 0.00 61.00 61.09 1uhr s PRO 90 Cb -0.11 -4.23 -0.01 0.00 0.04 0.00 0.00 34.50 30.19 1uhr s PRO 90 CO -0.11 -2.26 1.75 0.45 0.04 0.00 0.00 177.00 176.87 1uhr s SER 91 N 5.48 5.71 -0.30 6.66 0.15 -1.26 -4.31 113.70 125.83 1uhr s SER 91 Ca 0.53 -1.05 -0.19 0.00 0.70 0.00 0.00 55.95 55.93 1uhr s SER 91 Cb -0.11 -2.57 0.03 0.00 -1.71 0.00 0.00 66.02 61.66 1uhr s SER 91 CO 0.21 -2.24 0.38 -0.24 1.20 0.00 0.00 173.24 172.55 1uhr n SER 92 N 11.87 -6.52 -0.73 5.45 2.88 -1.26 -5.09 113.62 120.22 1uhr n SER 92 Ca 0.38 0.31 0.09 0.00 -1.33 0.00 0.00 58.87 58.32 1uhr n SER 92 Cb 0.48 -2.68 0.08 0.00 -0.75 0.00 0.00 64.21 61.34 1uhr n SER 92 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42