#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 -3.37 -4.63 1.61 7.64 -1.26 -5.12 113.62 108.49 1uhr n SER 2 Ca 0.00 0.79 -0.42 0.00 1.01 0.00 0.00 58.87 60.24 1uhr n SER 2 Cb 0.00 3.19 0.00 0.00 -1.01 0.00 0.00 64.21 66.39 1uhr n SER 2 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1uhr n SER 3 N -3.39 1.72 -4.33 6.43 2.88 -1.26 -4.96 113.62 110.70 1uhr n SER 3 Ca 0.00 1.11 -0.36 0.00 -1.33 0.00 0.00 58.87 58.30 1uhr n SER 3 Cb 0.00 -1.38 -0.13 0.00 -0.75 0.00 0.00 64.21 61.95 1uhr n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1uhr s GLY 4 N -0.58 1.67 -0.30 0.46 0.00 -1.26 -5.04 107.32 102.28 1uhr s GLY 4 Ca 0.60 -1.23 -0.16 0.00 0.00 0.00 0.00 44.72 43.93 1uhr s GLY 4 CO 0.59 0.50 1.21 -1.35 0.00 0.00 0.00 173.10 174.04 1uhr s SER 5 N 1.50 -0.15 -0.25 1.64 1.04 -1.26 -4.94 113.70 111.28 1uhr s SER 5 Ca 0.05 0.24 -0.09 0.00 0.48 0.00 0.00 55.95 56.63 1uhr s SER 5 Cb -0.15 1.04 0.01 0.00 0.10 0.00 0.00 66.02 67.02 1uhr s SER 5 CO -0.01 -0.04 0.20 -1.20 0.98 0.00 0.00 173.24 173.18 1uhr n SER 6 N 3.16 -7.16 0.00 7.02 7.64 -1.26 -4.76 113.62 118.26 1uhr n SER 6 Ca -0.17 0.71 0.00 0.00 1.01 0.00 0.00 58.87 60.41 1uhr n SER 6 Cb 0.56 -3.56 0.00 0.00 -1.01 0.00 0.00 64.21 60.21 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 0.59 0.43 3.69 0.23 0.00 -1.26 -5.08 105.19 103.79 1uhr n GLY 7 Ca 0.01 -1.07 -0.43 0.00 0.00 0.00 0.00 46.02 44.52 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 0.00 2.15 -1.55 1.61 3.00 -1.26 -4.97 117.38 116.36 1uhr n GLN 8 Ca 0.00 0.76 -0.30 0.00 -0.01 0.00 0.00 57.00 57.45 1uhr n GLN 8 Cb 0.00 -2.40 0.08 0.00 0.00 0.00 0.00 30.24 27.93 1uhr n GLN 8 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.06 175.81 1uhr s PRO 9 N -1.04 2.23 0.34 -1.09 0.04 -1.26 -4.18 135.00 130.04 1uhr s PRO 9 Ca 0.62 0.70 -0.26 0.00 0.04 0.00 0.00 61.00 62.09 1uhr s PRO 9 Cb -0.60 -1.93 -0.09 0.00 0.04 0.00 0.00 34.50 31.92 1uhr s PRO 9 CO 0.55 -1.53 1.07 -1.25 0.04 0.00 0.00 177.00 175.87 1uhr s PRO 10 N -5.13 4.39 -0.20 0.56 0.04 -1.26 -4.97 135.00 128.42 1uhr s PRO 10 Ca 0.60 1.63 -0.04 0.00 0.04 0.00 0.00 61.00 63.23 1uhr s PRO 10 Cb -0.14 -2.84 0.08 0.00 0.04 0.00 0.00 34.50 31.64 1uhr s PRO 10 CO 0.54 0.03 0.17 -0.65 0.04 0.00 0.00 177.00 177.13 1uhr s GLN 11 N -2.01 0.14 0.10 4.56 -0.21 -1.26 -2.93 119.66 118.05 1uhr s GLN 11 Ca 0.52 0.05 0.02 0.00 0.02 0.00 0.00 55.36 55.96 1uhr s GLN 11 Cb -0.26 -1.45 -0.04 0.00 1.00 0.00 0.00 33.01 32.26 1uhr s GLN 11 CO 0.33 -0.69 0.18 -0.06 -2.12 0.00 0.00 175.29 172.94 1uhr s PHE 12 N 2.24 3.39 -0.11 0.91 0.40 0.12 -4.40 117.98 120.53 1uhr s PHE 12 Ca 0.05 0.15 -0.18 0.00 -0.60 0.00 0.00 56.93 56.35 1uhr s PHE 12 Cb -0.16 -1.68 -0.04 0.00 0.51 0.00 0.00 43.02 41.65 1uhr s PHE 12 CO -0.12 0.55 0.46 0.21 0.70 0.00 0.00 175.22 177.02 1uhr s LYS 13 N -2.71 4.30 0.32 0.44 2.20 0.52 -2.97 119.74 121.84 1uhr s LYS 13 Ca 0.33 0.43 -0.22 0.00 -0.36 0.00 0.00 55.97 56.15 1uhr s LYS 13 Cb -0.12 -3.41 -0.10 0.00 -1.51 0.00 0.00 37.83 32.69 1uhr s LYS 13 CO 0.26 0.22 0.87 -0.51 -0.36 0.00 0.00 175.35 175.83 1uhr s LEU 14 N 0.42 4.23 1.12 5.43 1.43 -1.09 0.47 118.68 130.69 1uhr s LEU 14 Ca 0.25 1.65 -0.14 0.00 -1.03 0.00 0.00 54.13 54.86 1uhr s LEU 14 Cb -0.15 -4.03 0.21 0.00 0.03 0.00 0.00 46.19 42.25 1uhr s LEU 14 CO 0.10 -0.12 0.76 0.47 0.23 0.00 0.00 176.35 177.79 1uhr n ASP 15 N 0.26 -1.65 0.14 2.29 9.92 -0.53 -4.42 116.55 122.56 1uhr n ASP 15 Ca 0.02 -0.05 0.13 0.00 -0.53 0.00 0.00 54.79 54.36 1uhr n ASP 15 Cb 0.51 -1.21 0.45 0.00 -0.64 0.00 0.00 41.12 40.23 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 -2.38 0.00 0.00 -0.24 0.13 -1.96 1.03 132.00 128.58 1uhr h PRO 16 Ca -0.56 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.29 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 0.45 0.00 -2.14 0.54 -0.23 0.00 0.00 178.00 176.62 1uhr n ARG 17 N -2.40 0.67 -0.09 0.86 1.74 -1.26 -4.35 116.66 111.83 1uhr n ARG 17 Ca 0.04 0.02 -0.23 0.00 -0.77 0.00 0.00 57.85 56.90 1uhr n ARG 17 Cb 0.34 -1.58 -0.12 0.00 -1.02 0.00 0.00 32.46 30.08 1uhr n ARG 17 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 1uhr n LEU 18 N -2.71 2.09 -0.65 0.55 7.94 -1.14 -2.57 117.00 120.51 1uhr n LEU 18 Ca -0.24 0.34 0.50 0.00 -1.11 0.00 0.00 56.01 55.50 1uhr n LEU 18 Cb 1.01 -0.97 0.78 0.00 0.53 0.00 0.00 43.42 44.76 1uhr n LEU 18 CO 0.44 0.48 1.40 0.00 -1.11 0.00 0.00 177.39 178.60 1uhr n ALA 19 N -3.46 1.76 -0.11 1.96 0.00 0.35 0.50 120.51 121.51 1uhr n ALA 19 Ca -0.37 0.68 -0.25 0.00 0.00 0.00 0.00 53.44 53.50 1uhr n ALA 19 Cb 0.81 -1.10 -0.11 0.00 0.00 0.00 0.00 19.45 19.05 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 -4.01 0.59 -0.42 0.00 3.00 -1.26 -1.70 116.66 112.87 1uhr n ARG 20 Ca 0.43 0.42 -0.11 0.00 -0.01 0.00 0.00 57.85 58.58 1uhr n ARG 20 Cb 1.89 -1.64 -0.09 0.00 0.00 0.00 0.00 32.46 32.61 1uhr n ARG 20 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52 1uhr n LEU 21 N -4.25 -1.04 0.05 0.55 7.94 0.18 -0.83 117.00 119.60 1uhr n LEU 21 Ca -0.41 1.78 -0.12 0.00 -1.11 0.00 0.00 56.01 56.15 1uhr n LEU 21 Cb 0.80 -0.24 -0.13 0.00 0.53 0.00 0.00 43.42 44.38 1uhr n LEU 21 CO 0.15 -1.45 -0.19 -0.07 -1.11 0.00 0.00 177.39 174.72 1uhr h LEU 22 N 0.00 0.19 0.00 -1.96 3.38 -1.26 -3.48 115.31 112.19 1uhr h LEU 22 Ca 0.17 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1uhr h LEU 22 Cb 0.42 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.10 1uhr h LEU 22 CO -0.94 1.21 0.00 0.61 0.09 0.00 0.00 178.44 179.41 1uhr n GLY 23 N 1.53 0.30 3.74 0.83 0.00 -0.01 -5.05 105.19 106.53 1uhr n GLY 23 Ca -0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.10 3.40 -0.08 -0.61 1.01 -1.00 -4.80 121.20 117.02 1uhr s ILE 24 Ca 0.00 1.18 -0.05 0.00 0.00 0.00 0.00 60.65 61.78 1uhr s ILE 24 Cb 0.00 -3.76 -0.02 0.00 0.01 0.00 0.00 42.46 38.70 1uhr s ILE 24 CO 0.00 0.19 -0.10 1.41 0.00 0.00 0.00 174.94 176.44 1uhr n HIS 25 N 2.45 0.51 -3.65 3.97 8.25 -1.26 -4.24 115.22 121.26 1uhr n HIS 25 Ca 0.05 0.22 -0.12 0.00 -0.26 0.00 0.00 57.72 57.61 1uhr n HIS 25 Cb 0.44 -0.54 -0.08 0.00 1.12 0.00 0.00 29.99 30.93 1uhr n HIS 25 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1uhr s THR 26 N -1.71 -0.00 0.00 1.59 2.01 -1.26 -2.67 115.64 113.60 1uhr s THR 26 Ca -0.09 0.01 0.00 0.00 0.31 0.00 0.00 61.69 61.92 1uhr s THR 26 Cb 0.01 -0.91 0.00 0.00 0.01 0.00 0.00 72.50 71.61 1uhr s THR 26 CO 0.13 0.00 0.00 0.00 -0.69 0.00 0.00 174.62 174.06 1uhr n GLN 27 N 3.27 0.00 -0.73 4.92 10.64 -1.16 -4.94 117.38 129.38 1uhr n GLN 27 Ca -0.16 0.00 -0.30 0.00 -1.83 0.00 0.00 57.00 54.71 1uhr n GLN 27 Cb 0.56 0.00 0.25 0.00 -0.86 0.00 0.00 30.24 30.20 1uhr n GLN 27 CO 0.00 0.00 0.00 0.95 -1.83 0.00 0.00 177.06 176.18 1uhr s THR 28 N -2.24 1.62 0.03 -0.39 -4.23 -1.15 -0.70 115.64 108.58 1uhr s THR 28 Ca 0.00 0.00 -0.17 0.00 -1.18 0.00 0.00 61.69 60.34 1uhr s THR 28 Cb 0.00 -2.25 -0.31 0.00 1.34 0.00 0.00 72.50 71.28 1uhr s THR 28 CO 0.00 0.00 1.04 -0.09 -0.54 0.00 0.00 174.62 175.03 1uhr h ARG 29 N -2.79 0.54 0.00 3.99 2.43 -1.97 -3.02 114.38 113.55 1uhr h ARG 29 Ca -0.50 -0.79 0.00 0.00 -0.81 0.00 0.00 59.98 57.88 1uhr h ARG 29 Cb 1.33 0.27 0.00 0.00 -0.42 0.00 0.00 29.97 31.15 1uhr h ARG 29 CO 0.40 1.36 0.00 -0.35 -1.51 0.00 0.00 179.97 179.87 1uhr n PRO 30 N -3.86 0.41 0.02 0.20 -0.04 -1.26 -0.17 135.00 130.30 1uhr n PRO 30 Ca -0.14 0.06 0.11 0.00 -0.04 0.00 0.00 63.50 63.48 1uhr n PRO 30 Cb 0.97 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.81 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 0.13 -0.13 0.52 0.31 -1.20 -3.91 118.33 112.83 1uhr n VAL 31 Ca 0.12 -0.47 -0.22 0.00 -0.01 0.00 0.00 64.34 63.77 1uhr n VAL 31 Cb 0.16 -0.01 -0.10 0.00 -0.91 0.00 0.00 33.84 32.98 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 -2.29 1.41 -0.31 2.52 5.41 -0.90 -3.94 119.36 121.27 1uhr n ILE 32 Ca -0.02 -0.46 0.09 0.00 1.00 0.00 0.00 62.75 63.35 1uhr n ILE 32 Cb 0.55 -1.57 0.25 0.00 -0.71 0.00 0.00 39.64 38.16 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 -0.39 0.70 -0.22 1.39 2.10 -0.77 0.40 117.51 120.72 1uhr h ILE 33 Ca -0.59 -0.21 -0.01 0.00 1.08 0.00 0.00 64.86 65.12 1uhr h ILE 33 Cb 1.73 0.02 -0.01 0.00 -1.09 0.00 0.00 36.82 37.47 1uhr h ILE 33 CO -0.22 0.11 0.08 1.56 -1.08 0.00 0.00 178.15 178.61 1uhr h GLN 34 N 0.62 0.33 -0.19 2.19 1.08 -1.77 0.25 115.11 117.62 1uhr h GLN 34 Ca 0.50 -0.06 0.06 0.00 -1.45 0.00 0.00 58.65 57.69 1uhr h GLN 34 Cb 0.74 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 28.11 1uhr h GLN 34 CO -0.39 0.40 0.26 0.00 -0.95 0.00 0.00 178.83 178.15 1uhr h ALA 35 N 0.92 1.75 0.05 3.87 0.00 -1.10 0.45 119.26 125.20 1uhr h ALA 35 Ca 0.07 -0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.77 1uhr h ALA 35 Cb 0.20 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1uhr h ALA 35 CO -0.00 -0.36 -1.06 1.25 0.00 0.00 0.00 179.25 179.08 1uhr h LEU 36 N 0.00 0.17 -0.83 0.00 5.85 -0.20 -3.17 115.31 117.14 1uhr h LEU 36 Ca 0.09 -0.77 0.09 0.00 0.84 0.00 0.00 57.88 58.13 1uhr h LEU 36 Cb 0.61 -0.06 -0.07 0.00 0.37 0.00 0.00 40.66 41.52 1uhr h LEU 36 CO -0.00 1.44 0.48 -0.50 -0.34 0.00 0.00 178.44 179.52 1uhr h TRP 37 N -0.68 0.87 0.00 1.25 4.06 0.11 0.80 115.95 122.36 1uhr h TRP 37 Ca -0.25 0.03 0.00 0.00 2.06 0.00 0.00 58.89 60.73 1uhr h TRP 37 Cb 1.45 -0.27 0.00 0.00 -1.00 0.00 0.00 29.16 29.34 1uhr h TRP 37 CO 0.15 0.37 0.00 0.37 -3.56 0.00 0.00 178.44 175.77 1uhr h GLN 38 N 0.82 0.00 0.10 0.49 5.75 -0.30 -1.39 115.11 120.58 1uhr h GLN 38 Ca 0.39 0.00 -0.24 0.00 -0.15 0.00 0.00 58.65 58.65 1uhr h GLN 38 Cb 0.33 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 28.88 1uhr h GLN 38 CO -0.23 0.00 -1.23 -0.92 -2.65 0.00 0.00 178.83 173.80 1uhr h TYR 39 N 0.00 0.40 0.00 3.99 5.03 0.57 -1.73 116.97 125.22 1uhr h TYR 39 Ca 0.00 -0.29 -0.05 0.00 2.58 0.00 0.00 58.73 60.97 1uhr h TYR 39 Cb 0.28 -0.02 -0.01 0.00 1.55 0.00 0.00 36.73 38.54 1uhr h TYR 39 CO 0.00 1.48 -0.25 0.82 -1.32 0.00 0.00 178.16 178.89 1uhr h ILE 40 N -0.41 0.70 0.00 1.81 2.04 -0.78 1.01 117.51 121.88 1uhr h ILE 40 Ca -0.27 -1.08 -0.04 0.00 1.00 0.00 0.00 64.86 64.47 1uhr h ILE 40 Cb 1.66 1.69 -0.00 0.00 -0.74 0.00 0.00 36.82 39.42 1uhr h ILE 40 CO 0.05 0.24 -0.22 0.11 0.00 0.00 0.00 178.15 178.33 1uhr h LYS 41 N 0.00 0.01 -0.28 2.37 1.57 -1.37 1.13 116.57 120.01 1uhr h LYS 41 Ca -0.00 -0.02 -0.09 0.00 -1.87 0.00 0.00 60.65 58.67 1uhr h LYS 41 Cb 0.67 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.98 1uhr h LYS 41 CO 0.03 1.01 -0.17 1.15 -0.57 0.00 0.00 179.45 180.90 1uhr h THR 42 N -0.98 1.30 -0.00 -0.16 2.02 -1.21 -2.52 112.91 111.35 1uhr h THR 42 Ca -0.06 -1.28 0.00 0.00 0.77 0.00 0.00 66.41 65.84 1uhr h THR 42 Cb 1.07 1.53 0.00 0.00 -1.74 0.00 0.00 68.15 69.01 1uhr h THR 42 CO -0.03 0.41 -0.02 1.41 0.37 0.00 0.00 175.52 177.66 1uhr n HIS 43 N -4.40 0.00 -3.84 3.16 8.25 0.35 -4.92 115.22 113.82 1uhr n HIS 43 Ca -0.04 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.10 1uhr n HIS 43 Cb 0.39 -0.08 0.02 0.00 1.12 0.00 0.00 29.99 31.44 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 -0.85 -1.57 0.00 -0.41 4.76 -0.30 -4.82 118.16 114.97 1uhr n LYS 44 Ca 0.20 0.36 0.15 0.00 -2.87 0.00 0.00 58.31 56.15 1uhr n LYS 44 Cb 0.20 -3.92 0.71 0.00 -1.84 0.00 0.00 35.03 30.17 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 -4.41 0.15 -4.66 -0.35 4.77 0.38 -4.87 117.00 108.01 1uhr n LEU 45 Ca -0.16 0.19 -0.51 0.00 -0.03 0.00 0.00 56.01 55.51 1uhr n LEU 45 Cb 0.61 -0.25 -0.05 0.00 -2.33 0.00 0.00 43.42 41.40 1uhr n LEU 45 CO 0.71 0.03 1.19 1.67 -1.33 0.00 0.00 177.39 179.66 1uhr n GLN 46 N -1.19 1.63 -1.73 3.23 7.27 -1.23 0.24 117.38 125.61 1uhr n GLN 46 Ca 0.14 0.59 -0.42 0.00 0.07 0.00 0.00 57.00 57.38 1uhr n GLN 46 Cb 0.25 -2.32 -0.02 0.00 2.41 0.00 0.00 30.24 30.56 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 4.22 3.90 0.07 1.69 2.03 -0.65 -4.61 116.55 123.20 1uhr n ASP 47 Ca 0.21 1.10 0.12 0.00 0.52 0.00 0.00 54.79 56.73 1uhr n ASP 47 Cb 0.23 -1.58 0.46 0.00 -0.72 0.00 0.00 41.12 39.51 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 3.23 0.15 -0.08 -0.67 -0.04 -1.26 -3.45 135.00 132.88 1uhr n PRO 48 Ca 0.13 0.25 -0.11 0.00 -0.04 0.00 0.00 63.50 63.73 1uhr n PRO 48 Cb 0.35 -1.72 -0.07 0.00 -0.04 0.00 0.00 33.50 32.03 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 -4.77 0.54 3.86 -1.96 -3.48 115.15 109.33 1uhr h HIS 49 Ca 0.00 0.00 -0.25 0.00 -1.16 0.00 0.00 60.37 58.96 1uhr h HIS 49 Cb 0.49 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.93 1uhr h HIS 49 CO 0.00 0.69 -0.13 0.39 0.86 0.00 0.00 177.93 179.74 1uhr n GLU 50 N -4.59 1.17 -0.00 2.45 -0.58 -1.22 -5.06 120.64 112.80 1uhr n GLU 50 Ca -0.14 -1.50 0.01 0.00 -0.42 0.00 0.00 57.16 55.11 1uhr n GLU 50 Cb 0.39 0.18 -0.02 0.00 -0.57 0.00 0.00 31.44 31.43 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 -1.02 1.03 0.00 3.49 1.85 -1.26 -4.31 116.66 116.44 1uhr n ARG 51 Ca -0.02 -0.02 0.04 0.00 -1.00 0.00 0.00 57.85 56.86 1uhr n ARG 51 Cb 0.27 -0.98 -0.12 0.00 -1.05 0.00 0.00 32.46 30.59 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 -1.49 0.65 -2.31 2.89 0.00 -1.26 -4.90 120.64 114.21 1uhr n GLU 52 Ca -0.00 0.01 -0.27 0.00 0.00 0.00 0.00 57.16 56.89 1uhr n GLU 52 Cb 0.05 -1.65 0.04 0.00 0.00 0.00 0.00 31.44 29.88 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 -3.12 3.22 -0.10 -1.84 0.40 -1.26 0.68 117.98 115.95 1uhr s PHE 53 Ca -0.06 0.66 -0.04 0.00 -0.60 0.00 0.00 56.93 56.89 1uhr s PHE 53 Cb 0.10 -2.83 0.05 0.00 0.51 0.00 0.00 43.02 40.85 1uhr s PHE 53 CO 0.85 -0.94 0.22 0.54 0.70 0.00 0.00 175.22 176.59 1uhr s VAL 54 N -3.06 -0.22 -0.70 -0.44 0.11 0.29 -1.64 120.40 114.73 1uhr s VAL 54 Ca 0.55 0.24 -0.25 0.00 -2.93 0.00 0.00 61.98 59.59 1uhr s VAL 54 Cb -0.11 -0.37 0.04 0.00 -1.53 0.00 0.00 36.38 34.42 1uhr s VAL 54 CO 0.46 0.10 1.16 -0.76 -3.33 0.00 0.00 175.10 172.73 1uhr s LEU 55 N 1.88 3.62 0.34 2.54 1.43 0.14 -3.23 118.68 125.40 1uhr s LEU 55 Ca -0.03 -0.61 -0.27 0.00 -1.03 0.00 0.00 54.13 52.19 1uhr s LEU 55 Cb -0.11 -2.55 -0.13 0.00 0.03 0.00 0.00 46.19 43.43 1uhr s LEU 55 CO -0.08 -1.67 1.06 0.00 0.23 0.00 0.00 176.35 175.89 1uhr s ASP 57 N -0.56 3.38 0.47 0.00 1.01 -1.26 -4.46 116.67 115.24 1uhr s ASP 57 Ca 0.59 0.58 0.27 0.00 0.71 0.00 0.00 52.55 54.71 1uhr s ASP 57 Cb -0.63 -0.88 1.32 0.00 1.01 0.00 0.00 42.92 43.75 1uhr s ASP 57 CO 0.60 -2.60 1.79 0.07 0.21 0.00 0.00 175.17 175.24 1uhr h LYS 58 N -1.54 0.19 0.23 8.23 -0.00 -1.97 1.43 116.57 123.14 1uhr h LYS 58 Ca -0.46 -0.01 -0.01 0.00 -0.00 0.00 0.00 60.65 60.17 1uhr h LYS 58 Cb 1.29 -0.04 0.00 0.00 -0.00 0.00 0.00 32.23 33.48 1uhr h LYS 58 CO 0.50 0.13 -0.11 1.88 -0.00 0.00 0.00 179.45 181.85 1uhr h TYR 59 N 0.20 -0.28 -0.95 0.07 0.05 -1.99 -3.14 116.97 110.93 1uhr h TYR 59 Ca 0.57 -0.01 0.13 0.00 0.05 0.00 0.00 58.73 59.48 1uhr h TYR 59 Cb 1.84 0.09 -0.08 0.00 1.01 0.00 0.00 36.73 39.60 1uhr h TYR 59 CO -0.00 -0.18 0.60 -0.07 -1.05 0.00 0.00 178.16 177.46 1uhr h LEU 60 N -0.79 0.79 -2.60 3.88 3.38 -1.65 0.66 115.31 118.98 1uhr h LEU 60 Ca -0.03 0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1uhr h LEU 60 Cb 0.23 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1uhr h LEU 60 CO 0.05 0.41 0.12 1.56 0.09 0.00 0.00 178.44 180.67 1uhr h GLN 61 N 0.84 0.00 0.00 1.13 4.20 0.18 1.76 115.11 123.23 1uhr h GLN 61 Ca 0.48 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.19 1uhr h GLN 61 Cb 0.61 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.39 1uhr h GLN 61 CO -0.24 0.00 -1.24 1.04 -0.67 0.00 0.00 178.83 177.72 1uhr n GLN 62 N -2.99 0.18 -0.08 1.46 1.13 0.22 -2.89 117.38 114.42 1uhr n GLN 62 Ca -0.03 -0.05 -0.10 0.00 -1.94 0.00 0.00 57.00 54.88 1uhr n GLN 62 Cb 0.18 -1.51 -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 -1.72 1.47 0.08 5.09 5.41 0.20 -4.67 119.36 125.21 1uhr n ILE 63 Ca 0.02 0.11 -0.15 0.00 1.00 0.00 0.00 62.75 63.73 1uhr n ILE 63 Cb 0.40 -2.23 -0.08 0.00 -0.71 0.00 0.00 39.64 37.02 1uhr n ILE 63 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 176.55 176.29 1uhr h PHE 64 N -0.90 0.65 -1.81 1.39 -1.00 0.21 -3.48 116.94 111.99 1uhr h PHE 64 Ca -0.07 -0.38 -0.24 0.00 2.81 0.00 0.00 57.97 60.09 1uhr h PHE 64 Cb 0.97 -0.06 -0.01 0.00 3.61 0.00 0.00 35.95 40.46 1uhr h PHE 64 CO -0.36 1.23 -0.31 0.39 -1.61 0.00 0.00 178.31 177.65 1uhr n GLU 65 N -3.71 -1.13 -3.84 1.51 1.02 -1.08 -4.99 120.64 108.41 1uhr n GLU 65 Ca -0.08 0.58 -0.30 0.00 -0.02 0.00 0.00 57.16 57.33 1uhr n GLU 65 Cb 0.90 -4.73 -0.15 0.00 -0.02 0.00 0.00 31.44 27.43 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 4.26 0.28 1.62 0.01 -1.26 -4.98 113.70 111.13 1uhr s SER 66 Ca 0.02 -2.01 0.01 0.00 1.31 0.00 0.00 55.95 55.28 1uhr s SER 66 Cb -0.01 -1.19 0.65 0.00 0.21 0.00 0.00 66.02 65.68 1uhr s SER 66 CO 0.02 -0.38 1.70 1.56 0.41 0.00 0.00 173.24 176.56 1uhr h GLN 67 N 7.68 0.39 -3.08 12.44 4.20 -1.91 -3.35 115.11 131.48 1uhr h GLN 67 Ca -0.08 -0.02 -0.27 0.00 0.06 0.00 0.00 58.65 58.33 1uhr h GLN 67 Cb 1.00 -0.09 -0.34 0.00 0.30 0.00 0.00 27.48 28.35 1uhr h GLN 67 CO 0.50 0.26 -0.61 0.50 -0.67 0.00 0.00 178.83 178.81 1uhr s ARG 68 N -5.93 0.07 0.17 1.46 3.52 -1.26 -3.08 118.95 113.90 1uhr s ARG 68 Ca -0.12 0.56 -0.01 0.00 -0.13 0.00 0.00 55.73 56.03 1uhr s ARG 68 Cb 0.24 -0.21 -0.04 0.00 -1.56 0.00 0.00 34.95 33.38 1uhr s ARG 68 CO 0.77 -0.27 0.10 0.00 -0.81 0.00 0.00 175.30 175.09 1uhr s MET 69 N 2.09 1.10 0.13 5.12 0.23 -1.20 -4.98 119.30 121.78 1uhr s MET 69 Ca 0.00 -1.56 -0.18 0.00 -1.03 0.00 0.00 55.69 52.93 1uhr s MET 69 Cb -0.12 0.26 -0.07 0.00 -1.53 0.00 0.00 34.83 33.37 1uhr s MET 69 CO -0.06 -0.34 0.60 0.15 -2.03 0.00 0.00 175.02 173.34 1uhr s LYS 70 N -4.12 4.15 0.61 3.16 1.02 -1.26 -0.55 119.74 122.75 1uhr s LYS 70 Ca 0.33 0.69 0.31 0.00 0.02 0.00 0.00 55.97 57.32 1uhr s LYS 70 Cb 0.07 -3.06 1.72 0.00 -0.52 0.00 0.00 37.83 36.04 1uhr s LYS 70 CO 0.08 0.53 2.07 0.74 -0.92 0.00 0.00 175.35 177.86 1uhr h PHE 71 N 3.97 0.00 0.00 3.18 0.04 -0.06 0.85 116.94 124.92 1uhr h PHE 71 Ca -0.49 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.28 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 0.66 0.00 0.00 0.43 -0.60 0.00 0.00 178.31 178.80 1uhr n SER 72 N -3.53 0.64 -1.04 2.17 7.64 -1.26 -2.45 113.62 115.79 1uhr n SER 72 Ca 0.01 0.58 0.11 0.00 1.01 0.00 0.00 58.87 60.58 1uhr n SER 72 Cb 0.35 -0.75 0.27 0.00 -1.01 0.00 0.00 64.21 63.07 1uhr n SER 72 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1uhr n GLU 73 N -2.12 2.33 -0.02 1.43 -0.58 0.29 -4.15 120.64 117.82 1uhr n GLU 73 Ca 0.05 -2.04 -0.16 0.00 -0.42 0.00 0.00 57.16 54.59 1uhr n GLU 73 Cb 0.37 -1.47 -0.11 0.00 -0.57 0.00 0.00 31.44 29.65 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 3.65 1.50 0.00 -3.67 1.08 -1.43 -2.32 117.51 116.32 1uhr h ILE 74 Ca 0.00 -1.99 0.00 0.00 -0.39 0.00 0.00 64.86 62.48 1uhr h ILE 74 Cb 0.82 2.68 0.00 0.00 -3.07 0.00 0.00 36.82 37.25 1uhr h ILE 74 CO 0.00 0.56 0.00 -0.81 -0.69 0.00 0.00 178.15 177.21 1uhr n PRO 75 N -4.39 0.06 0.05 2.37 -0.04 -1.26 -0.82 135.00 130.97 1uhr n PRO 75 Ca -0.10 0.18 0.11 0.00 -0.04 0.00 0.00 63.50 63.65 1uhr n PRO 75 Cb 0.57 -1.59 -0.01 0.00 -0.04 0.00 0.00 33.50 32.43 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 0.47 -0.03 0.54 -0.06 -1.20 -4.09 117.38 111.31 1uhr n GLN 76 Ca 0.05 0.01 0.03 0.00 -2.00 0.00 0.00 57.00 55.10 1uhr n GLN 76 Cb 0.28 -1.67 -0.14 0.00 -4.06 0.00 0.00 30.24 24.64 1uhr n GLN 76 CO 0.00 0.00 0.00 0.54 -0.20 0.00 0.00 177.06 177.40 1uhr n ARG 77 N -2.29 0.77 -0.34 3.69 3.00 -0.88 -4.36 116.66 116.25 1uhr n ARG 77 Ca 0.00 -0.12 -0.02 0.00 -0.01 0.00 0.00 57.85 57.70 1uhr n ARG 77 Cb 0.50 -1.44 0.12 0.00 0.00 0.00 0.00 32.46 31.64 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 1.11 -1.59 0.55 3.38 -1.12 -1.58 115.31 116.06 1uhr h LEU 78 Ca -0.16 -0.05 0.49 0.00 0.09 0.00 0.00 57.88 58.25 1uhr h LEU 78 Cb 1.26 -0.28 -0.12 0.00 0.09 0.00 0.00 40.66 41.61 1uhr h LEU 78 CO 0.01 0.84 1.03 0.45 0.09 0.00 0.00 178.44 180.85 1uhr h HIS 79 N 1.29 0.35 0.04 1.13 3.86 -1.76 1.82 115.15 121.88 1uhr h HIS 79 Ca 0.34 0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.57 1uhr h HIS 79 Cb -0.09 -0.08 0.00 0.00 1.06 0.00 0.00 27.41 28.30 1uhr h HIS 79 CO 0.00 -0.17 -0.02 0.00 0.86 0.00 0.00 177.93 178.61 1uhr h ALA 80 N 1.43 -0.05 0.00 2.45 0.00 -1.57 -2.96 119.26 118.56 1uhr h ALA 80 Ca 0.87 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 55.49 1uhr h ALA 80 Cb 3.01 0.02 0.00 0.00 0.00 0.00 0.00 17.79 20.82 1uhr h ALA 80 CO -0.31 -0.22 0.00 -0.07 0.00 0.00 0.00 179.25 178.65 1uhr h LEU 81 N -0.66 0.00 -8.64 0.00 3.38 0.17 -3.39 115.31 106.17 1uhr h LEU 81 Ca -0.00 0.00 -0.69 0.00 0.09 0.00 0.00 57.88 57.27 1uhr h LEU 81 Cb 0.59 0.00 -0.19 0.00 0.09 0.00 0.00 40.66 41.15 1uhr h LEU 81 CO 0.01 0.00 -0.42 -0.76 0.09 0.00 0.00 178.44 177.36 1uhr s LEU 82 N -4.73 4.73 0.26 1.67 1.43 0.51 -1.45 118.68 121.10 1uhr s LEU 82 Ca 0.02 -0.57 0.10 0.00 -1.03 0.00 0.00 54.13 52.66 1uhr s LEU 82 Cb 0.09 -2.19 -0.05 0.00 0.03 0.00 0.00 46.19 44.07 1uhr s LEU 82 CO 0.37 -0.34 -0.09 -0.04 0.23 0.00 0.00 176.35 176.48 1uhr s MET 83 N 1.78 2.03 -0.30 1.70 -1.94 0.18 -4.75 119.30 117.98 1uhr s MET 83 Ca 0.07 -1.53 -0.29 0.00 -1.71 0.00 0.00 55.69 52.23 1uhr s MET 83 Cb -0.18 -2.01 -0.00 0.00 2.01 0.00 0.00 34.83 34.65 1uhr s MET 83 CO 0.11 0.36 1.35 -1.25 -0.01 0.00 0.00 175.02 175.58 1uhr s PRO 84 N -3.49 3.87 -0.64 2.03 0.04 -1.26 0.20 135.00 135.75 1uhr s PRO 84 Ca 0.30 1.27 -0.06 0.00 0.04 0.00 0.00 61.00 62.54 1uhr s PRO 84 Cb -0.06 -3.91 -0.13 0.00 0.04 0.00 0.00 34.50 30.44 1uhr s PRO 84 CO 0.17 -1.18 2.65 -0.35 0.04 0.00 0.00 177.00 178.33 1uhr n PRO 85 N 7.42 2.17 -4.45 0.56 -0.04 -1.26 -4.83 135.00 134.58 1uhr n PRO 85 Ca 0.15 -1.29 -0.24 0.00 -0.04 0.00 0.00 63.50 62.08 1uhr n PRO 85 Cb 0.47 -2.26 -0.10 0.00 -0.04 0.00 0.00 33.50 31.57 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 2.22 1.74 0.00 0.54 0.41 -1.26 -5.05 118.70 117.30 1uhr s GLU 86 Ca 0.51 -1.71 0.00 0.00 -0.41 0.00 0.00 54.97 53.37 1uhr s GLU 86 Cb 0.18 -1.82 0.00 0.00 -1.78 0.00 0.00 34.13 30.71 1uhr s GLU 86 CO -0.02 0.34 0.00 -0.35 -0.49 0.00 0.00 175.26 174.74 1uhr n PRO 87 N -0.57 0.66 -3.16 0.39 -0.04 -1.26 -4.76 135.00 126.26 1uhr n PRO 87 Ca -0.06 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.28 1uhr n PRO 87 Cb 0.60 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 34.07 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 -0.67 -6.68 0.00 3.54 7.64 -1.26 -5.02 113.62 111.16 1uhr n SER 88 Ca 0.00 0.44 0.00 0.00 1.01 0.00 0.00 58.87 60.32 1uhr n SER 88 Cb 0.00 -2.73 0.00 0.00 -1.01 0.00 0.00 64.21 60.47 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 0.56 4.10 3.56 0.23 0.00 -1.26 -5.01 105.19 107.37 1uhr n GLY 89 Ca -0.01 -1.77 -0.34 0.00 0.00 0.00 0.00 46.02 43.89 1uhr n GLY 89 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1uhr s PRO 90 N 3.42 3.10 -0.69 1.61 0.04 -1.26 -4.89 135.00 136.32 1uhr s PRO 90 Ca 0.00 -0.79 -0.38 0.00 0.04 0.00 0.00 61.00 59.86 1uhr s PRO 90 Cb 0.00 -5.23 -0.20 0.00 0.04 0.00 0.00 34.50 29.11 1uhr s PRO 90 CO 0.00 -2.81 2.37 0.45 0.04 0.00 0.00 177.00 177.05 1uhr n SER 91 N 11.38 0.65 -3.65 6.66 2.88 -1.26 -4.86 113.62 125.42 1uhr n SER 91 Ca 0.37 0.45 -0.09 0.00 -1.33 0.00 0.00 58.87 58.27 1uhr n SER 91 Cb 0.49 -0.93 -0.10 0.00 -0.75 0.00 0.00 64.21 62.91 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 7.35 -0.16 0.00 -3.46 0.01 -1.26 -5.30 113.70 110.88 1uhr s SER 92 Ca 1.26 0.92 0.00 0.00 1.31 0.00 0.00 55.95 59.43 1uhr s SER 92 Cb -1.36 1.25 0.00 0.00 0.21 0.00 0.00 66.02 66.13 1uhr s SER 92 CO 0.58 -0.23 0.00 0.61 0.41 0.00 0.00 173.24 174.60