#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 -0.62 0.33 1.61 1.04 -1.26 -5.06 113.70 109.75 1uhr s SER 2 Ca 0.00 1.03 0.00 0.00 0.48 0.00 0.00 55.95 57.46 1uhr s SER 2 Cb 0.00 1.20 0.00 0.00 0.10 0.00 0.00 66.02 67.32 1uhr s SER 2 CO 0.00 -0.17 0.00 -1.54 0.98 0.00 0.00 173.24 172.51 1uhr n SER 3 N 3.51 -3.00 -2.16 7.02 3.41 -1.26 -5.14 113.62 116.00 1uhr n SER 3 Ca -0.17 0.73 0.00 0.00 -0.26 0.00 0.00 58.87 59.17 1uhr n SER 3 Cb 0.57 2.91 0.00 0.00 -0.26 0.00 0.00 64.21 67.44 1uhr n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1uhr n GLY 4 N -1.39 -5.50 0.00 5.00 0.00 -1.26 -5.00 105.19 97.03 1uhr n GLY 4 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 1.68 0.00 -3.61 1.61 2.88 -1.26 -5.05 113.62 109.87 1uhr n SER 5 Ca 0.00 0.00 0.03 0.00 -1.33 0.00 0.00 58.87 57.57 1uhr n SER 5 Cb 0.00 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1uhr n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1uhr s SER 6 N 0.00 -0.03 0.11 -3.46 0.01 -1.26 -5.11 113.70 103.95 1uhr s SER 6 Ca 0.00 -0.08 -0.30 0.00 1.31 0.00 0.00 55.95 56.88 1uhr s SER 6 Cb 0.00 0.09 -0.06 0.00 0.21 0.00 0.00 66.02 66.27 1uhr s SER 6 CO 0.00 -0.17 0.99 -0.83 0.41 0.00 0.00 173.24 173.63 1uhr s GLY 7 N -3.06 2.96 -0.97 3.44 0.00 -1.26 -4.06 107.32 104.37 1uhr s GLY 7 Ca 0.16 0.61 -0.13 0.00 0.00 0.00 0.00 44.72 45.36 1uhr s GLY 7 CO -0.05 1.53 0.63 -1.06 0.00 0.00 0.00 173.10 174.15 1uhr n GLN 8 N 2.89 -1.07 -1.53 2.90 6.02 -1.26 -4.92 117.38 120.40 1uhr n GLN 8 Ca 0.03 0.51 -0.29 0.00 -0.01 0.00 0.00 57.00 57.24 1uhr n GLN 8 Cb 0.49 -2.37 0.16 0.00 1.02 0.00 0.00 30.24 29.54 1uhr n GLN 8 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1uhr s PRO 9 N -5.84 0.60 0.93 -1.09 0.04 -1.26 -5.05 135.00 123.32 1uhr s PRO 9 Ca 0.18 0.09 -0.13 0.00 0.04 0.00 0.00 61.00 61.18 1uhr s PRO 9 Cb -0.10 -1.79 0.15 0.00 0.04 0.00 0.00 34.50 32.80 1uhr s PRO 9 CO 0.92 -2.53 1.15 -1.25 0.04 0.00 0.00 177.00 175.34 1uhr s PRO 10 N -5.42 0.98 -0.30 0.56 0.04 -1.26 -5.06 135.00 124.53 1uhr s PRO 10 Ca 0.67 0.23 -0.07 0.00 0.04 0.00 0.00 61.00 61.87 1uhr s PRO 10 Cb -0.12 -1.83 0.16 0.00 0.04 0.00 0.00 34.50 32.76 1uhr s PRO 10 CO 0.54 -2.30 0.69 -0.65 0.04 0.00 0.00 177.00 175.32 1uhr s GLN 11 N -5.32 0.52 0.20 4.56 -0.21 -1.26 -4.05 119.66 114.09 1uhr s GLN 11 Ca 0.65 1.15 0.04 0.00 0.02 0.00 0.00 55.36 57.21 1uhr s GLN 11 Cb -0.14 0.67 -0.03 0.00 1.00 0.00 0.00 33.01 34.51 1uhr s GLN 11 CO 0.53 -0.35 0.32 -0.06 -2.12 0.00 0.00 175.29 173.61 1uhr s PHE 12 N 2.84 3.46 -0.12 0.91 0.40 0.21 -4.54 117.98 121.14 1uhr s PHE 12 Ca 0.05 0.04 -0.19 0.00 -0.60 0.00 0.00 56.93 56.23 1uhr s PHE 12 Cb -0.12 -1.61 -0.04 0.00 0.51 0.00 0.00 43.02 41.75 1uhr s PHE 12 CO -0.19 0.48 0.51 0.21 0.70 0.00 0.00 175.22 176.92 1uhr s LYS 13 N -3.63 4.34 0.40 0.44 2.20 0.27 -3.15 119.74 120.60 1uhr s LYS 13 Ca 0.34 0.50 -0.22 0.00 -0.36 0.00 0.00 55.97 56.23 1uhr s LYS 13 Cb -0.10 -3.45 -0.11 0.00 -1.51 0.00 0.00 37.83 32.67 1uhr s LYS 13 CO 0.29 0.12 0.94 -0.51 -0.36 0.00 0.00 175.35 175.83 1uhr s LEU 14 N 0.73 4.06 1.11 5.43 1.43 -1.16 0.42 118.68 130.69 1uhr s LEU 14 Ca 0.27 1.72 -0.12 0.00 -1.03 0.00 0.00 54.13 54.96 1uhr s LEU 14 Cb -0.15 -4.37 0.24 0.00 0.03 0.00 0.00 46.19 41.93 1uhr s LEU 14 CO 0.11 -0.27 0.97 -0.67 0.23 0.00 0.00 176.35 176.72 1uhr n ASP 15 N -0.28 -1.30 0.14 2.29 2.03 -0.52 -4.47 116.55 114.43 1uhr n ASP 15 Ca 0.05 -0.01 0.13 0.00 0.52 0.00 0.00 54.79 55.48 1uhr n ASP 15 Cb 0.53 -1.29 0.45 0.00 -0.72 0.00 0.00 41.12 40.09 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 -2.45 0.00 0.00 -0.67 0.13 -1.96 1.05 132.00 128.10 1uhr h PRO 16 Ca -0.56 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.28 1uhr h PRO 16 Cb 1.32 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.40 1uhr h PRO 16 CO 0.46 0.00 -2.11 0.54 -0.23 0.00 0.00 178.00 176.66 1uhr n ARG 17 N -2.40 0.67 -0.08 0.86 1.74 -1.26 -4.36 116.66 111.83 1uhr n ARG 17 Ca 0.04 0.04 -0.23 0.00 -0.77 0.00 0.00 57.85 56.93 1uhr n ARG 17 Cb 0.34 -1.60 -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 -2.75 2.15 -0.65 0.55 7.94 -1.14 -2.64 117.00 120.46 1uhr n LEU 18 Ca -0.24 0.32 0.50 0.00 -1.11 0.00 0.00 56.01 55.48 1uhr n LEU 18 Cb 1.02 -0.98 0.77 0.00 0.53 0.00 0.00 43.42 44.76 1uhr n LEU 18 CO 0.44 0.52 1.39 0.00 -1.11 0.00 0.00 177.39 178.63 1uhr n ALA 19 N -3.42 1.75 -0.09 1.96 0.00 0.36 0.10 120.51 121.18 1uhr n ALA 19 Ca -0.36 0.66 -0.23 0.00 0.00 0.00 0.00 53.44 53.51 1uhr n ALA 19 Cb 0.83 -1.09 -0.12 0.00 0.00 0.00 0.00 19.45 19.07 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 -3.97 0.64 -0.36 0.00 1.74 -1.26 -1.74 116.66 111.71 1uhr n ARG 20 Ca 0.42 0.33 -0.10 0.00 -0.77 0.00 0.00 57.85 57.73 1uhr n ARG 20 Cb 1.88 -1.63 -0.09 0.00 -1.02 0.00 0.00 32.46 31.60 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 -0.50 -1.98 0.14 0.55 5.85 0.94 -1.87 115.31 118.44 1uhr h LEU 21 Ca -0.50 0.30 -0.33 0.00 0.84 0.00 0.00 57.88 58.19 1uhr h LEU 21 Cb 1.70 0.87 -0.00 0.00 0.37 0.00 0.00 40.66 43.60 1uhr h LEU 21 CO -0.16 -0.23 -1.66 -0.07 -0.34 0.00 0.00 178.44 175.99 1uhr h LEU 22 N -0.03 0.46 0.00 2.25 3.38 -1.40 -3.48 115.31 116.49 1uhr h LEU 22 Ca 0.14 -0.70 0.00 0.00 0.09 0.00 0.00 57.88 57.41 1uhr h LEU 22 Cb 0.40 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1uhr h LEU 22 CO -0.84 1.59 0.00 0.61 0.09 0.00 0.00 178.44 179.89 1uhr n GLY 23 N 1.76 0.92 3.38 0.83 0.00 -0.71 -5.04 105.19 106.33 1uhr n GLY 23 Ca -0.21 -0.07 -0.45 0.00 0.00 0.00 0.00 46.02 45.30 1uhr n GLY 23 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1uhr s ILE 24 N -2.00 4.79 0.07 -0.61 1.01 -0.95 -4.91 121.20 118.60 1uhr s ILE 24 Ca 0.00 -0.97 -0.25 0.00 0.00 0.00 0.00 60.65 59.43 1uhr s ILE 24 Cb 0.00 -4.51 -0.10 0.00 0.01 0.00 0.00 42.46 37.86 1uhr s ILE 24 CO 0.00 -1.16 1.39 0.45 0.00 0.00 0.00 174.94 175.62 1uhr h HIS 25 N 9.20 -1.10 -2.17 3.97 3.86 -1.96 -3.41 115.15 123.53 1uhr h HIS 25 Ca -0.28 0.03 0.02 0.00 -1.16 0.00 0.00 60.37 58.97 1uhr h HIS 25 Cb 1.08 0.47 -0.23 0.00 1.06 0.00 0.00 27.41 29.80 1uhr h HIS 25 CO 0.85 -0.42 -0.22 0.99 0.86 0.00 0.00 177.93 179.99 1uhr s THR 26 N -4.95 -0.87 0.00 2.45 2.01 -1.26 -3.00 115.64 110.02 1uhr s THR 26 Ca -0.12 0.06 0.00 0.00 0.31 0.00 0.00 61.69 61.94 1uhr s THR 26 Cb 0.04 -0.88 0.00 0.00 0.01 0.00 0.00 72.50 71.67 1uhr s THR 26 CO 0.43 0.02 0.00 0.00 -0.69 0.00 0.00 174.62 174.38 1uhr n GLN 27 N 5.43 0.16 -0.12 4.92 3.00 -1.19 -4.93 117.38 124.65 1uhr n GLN 27 Ca -0.11 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.88 1uhr n GLN 27 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.73 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 -0.04 5.09 -2.24 -1.26 -0.62 114.28 115.21 1uhr n THR 28 Ca 0.00 0.00 -0.18 0.00 -2.27 0.00 0.00 64.05 61.60 1uhr n THR 28 Cb 0.00 -1.83 -0.13 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 0.10 0.00 -0.78 2.43 -1.97 -2.72 114.38 111.43 1uhr h ARG 29 Ca 0.00 -0.17 0.00 0.00 -0.81 0.00 0.00 59.98 59.00 1uhr h ARG 29 Cb 0.00 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.61 1uhr h ARG 29 CO 0.00 1.08 0.00 -0.35 -1.51 0.00 0.00 179.97 179.19 1uhr n PRO 30 N -4.35 0.35 -0.05 0.20 -0.04 -1.26 0.08 135.00 129.93 1uhr n PRO 30 Ca -0.19 0.07 0.01 0.00 -0.04 0.00 0.00 63.50 63.35 1uhr n PRO 30 Cb 0.67 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 32.46 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 -1.27 0.66 -0.10 0.52 0.31 -1.25 -4.12 118.33 113.08 1uhr n VAL 31 Ca 0.11 -0.67 -0.18 0.00 -0.01 0.00 0.00 64.34 63.59 1uhr n VAL 31 Cb 0.18 -0.22 -0.07 0.00 -0.91 0.00 0.00 33.84 32.81 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 -2.50 1.50 -0.32 2.52 5.41 -0.98 -3.52 119.36 121.47 1uhr n ILE 32 Ca -0.17 -0.05 0.23 0.00 1.00 0.00 0.00 62.75 63.76 1uhr n ILE 32 Cb 0.84 -2.13 0.45 0.00 -0.71 0.00 0.00 39.64 38.10 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 -1.00 0.15 0.70 1.39 2.10 -0.60 0.14 117.51 120.39 1uhr h ILE 33 Ca -0.31 -0.05 -0.03 0.00 1.08 0.00 0.00 64.86 65.55 1uhr h ILE 33 Cb 1.17 0.00 0.01 0.00 -1.09 0.00 0.00 36.82 36.91 1uhr h ILE 33 CO -0.19 0.02 -0.34 1.56 -1.08 0.00 0.00 178.15 178.13 1uhr h GLN 34 N 0.14 -0.91 -1.95 2.19 1.08 -1.75 -0.05 115.11 113.86 1uhr h GLN 34 Ca 0.72 0.06 0.56 0.00 -1.45 0.00 0.00 58.65 58.55 1uhr h GLN 34 Cb 1.70 0.21 -0.08 0.00 -0.05 0.00 0.00 27.48 29.26 1uhr h GLN 34 CO -0.73 -0.60 1.43 0.00 -0.95 0.00 0.00 178.83 177.97 1uhr h ALA 35 N -1.27 3.85 0.00 3.87 0.00 -0.83 1.48 119.26 126.36 1uhr h ALA 35 Ca -0.10 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 1uhr h ALA 35 Cb 0.72 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.65 1uhr h ALA 35 CO 0.16 -2.43 -0.15 1.25 0.00 0.00 0.00 179.25 178.08 1uhr h LEU 36 N 0.00 0.00 -0.66 0.00 5.85 -0.85 -3.17 115.31 116.48 1uhr h LEU 36 Ca 0.92 -0.72 0.12 0.00 0.84 0.00 0.00 57.88 59.04 1uhr h LEU 36 Cb 3.77 0.00 -0.08 0.00 0.37 0.00 0.00 40.66 44.71 1uhr h LEU 36 CO -0.01 0.95 0.23 -0.50 -0.34 0.00 0.00 178.44 178.77 1uhr h TRP 37 N -1.00 0.39 0.00 1.25 4.06 0.36 1.35 115.95 122.36 1uhr h TRP 37 Ca -0.04 0.03 0.00 0.00 2.06 0.00 0.00 58.89 60.95 1uhr h TRP 37 Cb 0.82 -0.07 0.00 0.00 -1.00 0.00 0.00 29.16 28.91 1uhr h TRP 37 CO 0.19 0.06 0.00 0.94 -3.56 0.00 0.00 178.44 176.06 1uhr n GLN 38 N -5.03 0.09 -0.10 0.49 -0.06 0.27 -0.84 117.38 112.20 1uhr n GLN 38 Ca 0.11 0.54 -0.20 0.00 -2.00 0.00 0.00 57.00 55.44 1uhr n GLN 38 Cb 0.33 -1.75 -0.12 0.00 -4.06 0.00 0.00 30.24 24.64 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 0.01 0.00 3.69 3.20 0.18 -2.40 116.97 121.65 1uhr h TYR 39 Ca 0.00 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 1uhr h TYR 39 Cb 0.06 -0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.33 1uhr h TYR 39 CO 0.00 1.40 -0.03 0.82 -1.64 0.00 0.00 178.16 178.72 1uhr h ILE 40 N -0.99 0.08 0.05 1.81 2.04 -0.65 1.53 117.51 121.38 1uhr h ILE 40 Ca -0.28 -0.47 -0.15 0.00 1.00 0.00 0.00 64.86 64.96 1uhr h ILE 40 Cb 1.26 1.43 -0.01 0.00 -0.74 0.00 0.00 36.82 38.76 1uhr h ILE 40 CO -0.17 0.02 -0.75 0.11 0.00 0.00 0.00 178.15 177.37 1uhr h LYS 41 N 0.00 0.10 -0.05 2.37 1.57 -1.12 0.17 116.57 119.60 1uhr h LYS 41 Ca -0.00 -0.16 -0.13 0.00 -1.87 0.00 0.00 60.65 58.49 1uhr h LYS 41 Cb 0.42 0.06 0.01 0.00 0.08 0.00 0.00 32.23 32.80 1uhr h LYS 41 CO 0.00 1.08 -0.47 1.15 -0.57 0.00 0.00 179.45 180.64 1uhr h THR 42 N -0.76 1.41 -0.01 -0.16 2.02 -1.19 -2.98 112.91 111.25 1uhr h THR 42 Ca -0.18 -1.89 0.00 0.00 0.77 0.00 0.00 66.41 65.12 1uhr h THR 42 Cb 1.34 2.39 0.00 0.00 -1.74 0.00 0.00 68.15 70.14 1uhr h THR 42 CO -0.02 0.55 0.00 1.41 0.37 0.00 0.00 175.52 177.83 1uhr n HIS 43 N -4.29 0.01 -4.08 3.16 8.25 0.52 -4.90 115.22 113.88 1uhr n HIS 43 Ca -0.09 -0.00 -0.46 0.00 -0.26 0.00 0.00 57.72 56.91 1uhr n HIS 43 Cb 0.59 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.72 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 -0.81 -0.22 -0.00 -0.41 4.76 -0.85 -4.78 118.16 115.85 1uhr n LYS 44 Ca 0.17 0.03 0.14 0.00 -2.87 0.00 0.00 58.31 55.79 1uhr n LYS 44 Cb 0.09 -2.31 0.63 0.00 -1.84 0.00 0.00 35.03 31.61 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 -4.95 1.11 -4.64 -0.35 4.77 0.54 -4.91 117.00 108.56 1uhr n LEU 45 Ca -0.11 -0.37 -0.49 0.00 -0.03 0.00 0.00 56.01 55.01 1uhr n LEU 45 Cb 0.54 -0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.58 1uhr n LEU 45 CO 0.72 0.18 1.12 1.67 -1.33 0.00 0.00 177.39 179.75 1uhr n GLN 46 N -0.13 1.69 -1.70 3.23 7.27 -1.24 -0.93 117.38 125.57 1uhr n GLN 46 Ca 0.20 0.61 -0.43 0.00 0.07 0.00 0.00 57.00 57.45 1uhr n GLN 46 Cb 0.29 -2.33 -0.03 0.00 2.41 0.00 0.00 30.24 30.57 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 3.51 3.72 0.05 1.69 2.03 -0.75 -4.65 116.55 122.16 1uhr n ASP 47 Ca 0.19 1.06 0.11 0.00 0.52 0.00 0.00 54.79 56.67 1uhr n ASP 47 Cb 0.24 -1.52 0.46 0.00 -0.72 0.00 0.00 41.12 39.57 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 3.99 0.10 -0.08 -0.67 -0.04 -1.26 -3.42 135.00 133.62 1uhr n PRO 48 Ca 0.17 0.21 -0.11 0.00 -0.04 0.00 0.00 63.50 63.72 1uhr n PRO 48 Cb 0.33 -1.64 -0.07 0.00 -0.04 0.00 0.00 33.50 32.08 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 -4.86 0.54 3.86 -1.96 -3.48 115.15 109.25 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 0.45 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 28.88 1uhr h HIS 49 CO 0.00 0.72 -0.20 0.39 0.86 0.00 0.00 177.93 179.70 1uhr n GLU 50 N -4.59 1.15 -0.00 2.45 -0.58 -1.22 -5.06 120.64 112.78 1uhr n GLU 50 Ca -0.14 -1.98 0.02 0.00 -0.42 0.00 0.00 57.16 54.64 1uhr n GLU 50 Cb 0.39 0.34 -0.03 0.00 -0.57 0.00 0.00 31.44 31.58 1uhr n GLU 50 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1uhr n ARG 51 N -1.02 2.76 -0.00 3.49 5.12 -1.26 -4.30 116.66 121.45 1uhr n ARG 51 Ca -0.05 -0.02 0.08 0.00 -1.93 0.00 0.00 57.85 55.93 1uhr n ARG 51 Cb 0.35 -0.90 -0.14 0.00 -1.16 0.00 0.00 32.46 30.61 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 -1.38 0.66 -2.54 5.56 0.00 -1.26 -4.92 120.64 116.75 1uhr n GLU 52 Ca -0.00 -0.12 -0.25 0.00 0.00 0.00 0.00 57.16 56.78 1uhr n GLU 52 Cb 0.08 -1.57 0.03 0.00 0.00 0.00 0.00 31.44 29.98 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 -3.36 3.19 -0.11 -1.84 0.40 -1.26 0.99 117.98 115.99 1uhr s PHE 53 Ca -0.07 0.48 -0.05 0.00 -0.60 0.00 0.00 56.93 56.69 1uhr s PHE 53 Cb 0.12 -2.67 0.05 0.00 0.51 0.00 0.00 43.02 41.04 1uhr s PHE 53 CO 0.88 -0.76 0.25 0.54 0.70 0.00 0.00 175.22 176.83 1uhr s VAL 54 N -2.89 -0.22 -0.51 -0.44 0.11 0.42 -1.81 120.40 115.06 1uhr s VAL 54 Ca 0.53 0.22 -0.26 0.00 -2.93 0.00 0.00 61.98 59.55 1uhr s VAL 54 Cb -0.10 -0.40 0.03 0.00 -1.53 0.00 0.00 36.38 34.38 1uhr s VAL 54 CO 0.43 0.09 0.98 -0.76 -3.33 0.00 0.00 175.10 172.51 1uhr s LEU 55 N 1.84 3.93 0.23 2.54 1.43 -0.10 -3.20 118.68 125.35 1uhr s LEU 55 Ca -0.04 -0.01 -0.31 0.00 -1.03 0.00 0.00 54.13 52.74 1uhr s LEU 55 Cb -0.11 -3.10 -0.11 0.00 0.03 0.00 0.00 46.19 42.90 1uhr s LEU 55 CO -0.08 -1.19 1.65 0.00 0.23 0.00 0.00 176.35 176.96 1uhr n ASP 57 N 3.36 -1.50 -0.11 0.00 8.00 -1.26 -4.34 116.55 120.70 1uhr n ASP 57 Ca 0.13 -1.18 -0.10 0.00 0.71 0.00 0.00 54.79 54.34 1uhr n ASP 57 Cb 0.36 -0.91 -0.05 0.00 -0.02 0.00 0.00 41.12 40.51 1uhr n ASP 57 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 1uhr h LYS 58 N 0.00 -0.34 0.26 -1.24 3.64 -1.96 1.66 116.57 118.58 1uhr h LYS 58 Ca -0.37 0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.03 1uhr h LYS 58 Cb 1.12 0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.99 1uhr h LYS 58 CO 0.25 -0.23 -0.39 1.88 -2.27 0.00 0.00 179.45 178.69 1uhr h TYR 59 N -0.36 -1.09 -0.85 1.91 0.05 -1.99 -1.58 116.97 113.06 1uhr h TYR 59 Ca 0.12 0.02 0.17 0.00 0.05 0.00 0.00 58.73 59.09 1uhr h TYR 59 Cb 0.59 0.44 -0.10 0.00 1.01 0.00 0.00 36.73 38.67 1uhr h TYR 59 CO -0.60 -0.48 0.40 -0.07 -1.05 0.00 0.00 178.16 176.36 1uhr h LEU 60 N -0.68 0.43 -1.88 3.88 3.38 -1.76 1.33 115.31 120.01 1uhr h LEU 60 Ca -0.03 0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1uhr h LEU 60 Cb 0.62 0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.43 1uhr h LEU 60 CO -0.12 0.13 0.08 1.56 0.09 0.00 0.00 178.44 180.18 1uhr h GLN 61 N 0.52 0.00 0.00 1.13 4.20 0.32 1.65 115.11 122.93 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 0.78 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.56 1uhr h GLN 61 CO -0.42 0.00 -1.41 1.04 -0.67 0.00 0.00 178.83 177.36 1uhr n GLN 62 N -2.54 0.31 -0.07 1.46 1.13 0.45 -2.94 117.38 115.17 1uhr n GLN 62 Ca -0.02 -0.08 -0.09 0.00 -1.94 0.00 0.00 57.00 54.87 1uhr n GLN 62 Cb 0.12 -1.52 -0.03 0.00 0.11 0.00 0.00 30.24 28.92 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 -1.88 1.45 0.09 5.09 5.41 0.20 -4.73 119.36 125.00 1uhr n ILE 63 Ca 0.00 0.14 -0.21 0.00 1.00 0.00 0.00 62.75 63.68 1uhr n ILE 63 Cb 0.44 -2.20 -0.15 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 -0.85 0.69 -1.96 1.39 0.04 0.18 -3.48 116.94 112.95 1uhr h PHE 64 Ca -0.05 -0.50 -0.31 0.00 2.80 0.00 0.00 57.97 59.91 1uhr h PHE 64 Cb 0.91 -0.03 -0.03 0.00 2.20 0.00 0.00 35.95 39.00 1uhr h PHE 64 CO -0.34 1.52 -0.38 0.39 -0.60 0.00 0.00 178.31 178.90 1uhr n GLU 65 N -3.58 -1.20 -3.70 1.51 -0.58 -0.87 -4.96 120.64 107.27 1uhr n GLU 65 Ca -0.19 0.79 -0.37 0.00 -0.42 0.00 0.00 57.16 56.98 1uhr n GLU 65 Cb 1.07 -5.12 -0.09 0.00 -0.57 0.00 0.00 31.44 26.73 1uhr n GLU 65 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 1uhr s SER 66 N -2.39 5.33 0.31 1.62 1.04 -1.26 -4.94 113.70 113.41 1uhr s SER 66 Ca 0.00 -2.91 0.05 0.00 0.48 0.00 0.00 55.95 53.57 1uhr s SER 66 Cb 0.00 -1.87 0.85 0.00 0.10 0.00 0.00 66.02 65.10 1uhr s SER 66 CO 0.00 -0.36 1.59 1.56 0.98 0.00 0.00 173.24 177.01 1uhr h GLN 67 N 6.98 0.06 -2.71 4.02 4.20 -1.92 -3.30 115.11 122.44 1uhr h GLN 67 Ca 0.00 -0.00 -0.16 0.00 0.06 0.00 0.00 58.65 58.55 1uhr h GLN 67 Cb 0.95 -0.01 -0.30 0.00 0.30 0.00 0.00 27.48 28.42 1uhr h GLN 67 CO 0.72 0.04 -0.44 0.50 -0.67 0.00 0.00 178.83 178.97 1uhr s ARG 68 N -5.90 0.24 0.19 1.46 3.52 -1.26 -3.36 118.95 113.84 1uhr s ARG 68 Ca -0.12 0.86 -0.02 0.00 -0.13 0.00 0.00 55.73 56.33 1uhr s ARG 68 Cb 0.29 0.12 -0.04 0.00 -1.56 0.00 0.00 34.95 33.76 1uhr s ARG 68 CO 0.78 -0.26 0.13 0.00 -0.81 0.00 0.00 175.30 175.14 1uhr s MET 69 N 2.37 1.16 0.16 5.12 0.23 -1.19 -4.98 119.30 122.16 1uhr s MET 69 Ca -0.01 -1.57 -0.18 0.00 -1.03 0.00 0.00 55.69 52.89 1uhr s MET 69 Cb -0.12 0.27 -0.07 0.00 -1.53 0.00 0.00 34.83 33.38 1uhr s MET 69 CO -0.11 -0.37 0.63 0.15 -2.03 0.00 0.00 175.02 173.30 1uhr s LYS 70 N -4.13 4.17 0.55 3.16 1.02 -1.26 -0.44 119.74 122.80 1uhr s LYS 70 Ca 0.35 0.73 0.27 0.00 0.02 0.00 0.00 55.97 57.35 1uhr s LYS 70 Cb 0.07 -3.00 1.45 0.00 -0.52 0.00 0.00 37.83 35.83 1uhr s LYS 70 CO 0.10 0.49 1.96 0.74 -0.92 0.00 0.00 175.35 177.72 1uhr h PHE 71 N 3.76 0.00 0.00 3.18 0.04 0.33 1.19 116.94 125.44 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 0.00 0.45 -0.60 0.00 0.00 178.31 178.81 1uhr n SER 72 N -4.18 0.27 -0.88 2.17 2.88 -1.26 -2.03 113.62 110.58 1uhr n SER 72 Ca 0.11 0.54 0.12 0.00 -1.33 0.00 0.00 58.87 58.31 1uhr n SER 72 Cb 0.67 -0.61 0.27 0.00 -0.75 0.00 0.00 64.21 63.79 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 -1.77 2.17 -0.01 -1.46 -0.58 0.41 -4.12 120.64 115.27 1uhr n GLU 73 Ca 0.05 -1.75 -0.16 0.00 -0.42 0.00 0.00 57.16 54.87 1uhr n GLU 73 Cb 0.28 -1.46 -0.11 0.00 -0.57 0.00 0.00 31.44 29.57 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 3.61 1.49 0.00 -3.67 1.08 -1.34 -2.65 117.51 116.02 1uhr h ILE 74 Ca 0.00 -2.03 0.00 0.00 -0.39 0.00 0.00 64.86 62.44 1uhr h ILE 74 Cb 0.79 2.69 0.00 0.00 -3.07 0.00 0.00 36.82 37.23 1uhr h ILE 74 CO 0.00 0.57 0.00 -0.81 -0.69 0.00 0.00 178.15 177.22 1uhr n PRO 75 N -4.35 0.05 0.03 2.37 -0.04 -1.26 -1.17 135.00 130.63 1uhr n PRO 75 Ca -0.10 0.17 0.11 0.00 -0.04 0.00 0.00 63.50 63.64 1uhr n PRO 75 Cb 0.60 -1.58 0.07 0.00 -0.04 0.00 0.00 33.50 32.55 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 -1.68 0.23 -0.00 0.54 6.02 -1.20 -3.98 117.38 117.31 1uhr n GLN 76 Ca 0.05 0.01 0.06 0.00 -0.01 0.00 0.00 57.00 57.11 1uhr n GLN 76 Cb 0.27 -1.59 -0.09 0.00 1.02 0.00 0.00 30.24 29.86 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 -1.89 1.30 -0.16 -1.09 3.00 -0.96 -4.46 116.66 112.41 1uhr n ARG 77 Ca 0.03 -0.07 -0.10 0.00 -0.01 0.00 0.00 57.85 57.69 1uhr n ARG 77 Cb 0.41 -1.22 0.03 0.00 0.00 0.00 0.00 32.46 31.68 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 0.98 -1.47 0.55 3.38 -1.27 -2.68 115.31 114.79 1uhr h LEU 78 Ca 0.00 -0.34 0.44 0.00 0.09 0.00 0.00 57.88 58.06 1uhr h LEU 78 Cb 0.48 -0.27 -0.12 0.00 0.09 0.00 0.00 40.66 40.84 1uhr h LEU 78 CO 0.00 1.12 0.89 0.45 0.09 0.00 0.00 178.44 180.99 1uhr h HIS 79 N 0.85 0.47 0.07 1.13 3.86 -1.78 1.52 115.15 121.26 1uhr h HIS 79 Ca 0.12 0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.35 1uhr h HIS 79 Cb 0.72 -0.12 0.00 0.00 1.06 0.00 0.00 27.41 29.08 1uhr h HIS 79 CO 0.05 -0.17 -0.03 0.00 0.86 0.00 0.00 177.93 178.63 1uhr h ALA 80 N 1.55 -0.09 0.00 2.45 0.00 -1.77 -2.86 119.26 118.54 1uhr h ALA 80 Ca 0.81 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 55.48 1uhr h ALA 80 Cb 2.62 0.04 0.00 0.00 0.00 0.00 0.00 17.79 20.44 1uhr h ALA 80 CO -0.37 -0.29 0.00 -0.07 0.00 0.00 0.00 179.25 178.52 1uhr h LEU 81 N -0.61 0.00 -8.72 0.00 3.38 0.96 -3.39 115.31 106.93 1uhr h LEU 81 Ca -0.01 0.00 -0.66 0.00 0.09 0.00 0.00 57.88 57.30 1uhr h LEU 81 Cb 0.52 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 41.10 1uhr h LEU 81 CO 0.02 0.00 -0.18 -0.76 0.09 0.00 0.00 178.44 177.60 1uhr s LEU 82 N -5.76 4.46 0.29 1.67 1.43 0.43 -1.44 118.68 119.75 1uhr s LEU 82 Ca -0.01 -0.21 0.10 0.00 -1.03 0.00 0.00 54.13 52.97 1uhr s LEU 82 Cb 0.10 -2.44 -0.05 0.00 0.03 0.00 0.00 46.19 43.83 1uhr s LEU 82 CO 0.44 -0.43 -0.02 -0.04 0.23 0.00 0.00 176.35 176.53 1uhr s MET 83 N 2.18 2.16 -0.32 1.70 -1.94 0.17 -4.77 119.30 118.47 1uhr s MET 83 Ca 0.14 -1.55 -0.29 0.00 -1.71 0.00 0.00 55.69 52.29 1uhr s MET 83 Cb -0.16 -2.06 0.00 0.00 2.01 0.00 0.00 34.83 34.62 1uhr s MET 83 CO 0.13 0.30 1.36 -1.25 -0.01 0.00 0.00 175.02 175.54 1uhr s PRO 84 N -3.67 3.82 -0.59 2.03 0.04 -1.26 0.95 135.00 136.31 1uhr s PRO 84 Ca 0.32 1.20 -0.06 0.00 0.04 0.00 0.00 61.00 62.51 1uhr s PRO 84 Cb -0.05 -3.93 -0.14 0.00 0.04 0.00 0.00 34.50 30.43 1uhr s PRO 84 CO 0.19 -1.25 2.67 -0.35 0.04 0.00 0.00 177.00 178.30 1uhr n PRO 85 N 7.54 2.12 -3.94 0.56 -0.04 -1.26 -4.78 135.00 135.20 1uhr n PRO 85 Ca 0.16 -1.25 -0.09 0.00 -0.04 0.00 0.00 63.50 62.28 1uhr n PRO 85 Cb 0.47 -2.23 -0.09 0.00 -0.04 0.00 0.00 33.50 31.61 1uhr n PRO 85 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1uhr s GLU 86 N 2.17 0.68 0.00 0.54 2.02 -1.26 -5.04 118.70 117.80 1uhr s GLU 86 Ca 0.51 -0.92 0.00 0.00 0.02 0.00 0.00 54.97 54.58 1uhr s GLU 86 Cb 0.19 0.27 0.00 0.00 0.10 0.00 0.00 34.13 34.68 1uhr s GLU 86 CO -0.02 -0.18 0.00 -0.35 0.02 0.00 0.00 175.26 174.73 1uhr n PRO 87 N 0.34 0.68 -2.84 0.39 -0.04 -1.26 -4.83 135.00 127.44 1uhr n PRO 87 Ca -0.17 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.29 1uhr n PRO 87 Cb 0.60 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 34.06 1uhr n PRO 87 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1uhr n SER 88 N -0.64 -6.52 0.00 3.54 2.88 -1.26 -5.04 113.62 106.58 1uhr n SER 88 Ca 0.00 1.15 0.00 0.00 -1.33 0.00 0.00 58.87 58.69 1uhr n SER 88 Cb 0.00 -4.20 0.00 0.00 -0.75 0.00 0.00 64.21 59.26 1uhr n SER 88 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1uhr n GLY 89 N 1.12 1.85 3.82 0.46 0.00 -1.26 -5.16 105.19 106.01 1uhr n GLY 89 Ca -0.06 -0.87 -0.31 0.00 0.00 0.00 0.00 46.02 44.78 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 -2.00 3.06 -0.14 1.61 0.04 -1.26 -5.02 135.00 131.29 1uhr s PRO 90 Ca 0.00 1.01 -0.13 0.00 0.04 0.00 0.00 61.00 61.92 1uhr s PRO 90 Cb 0.00 -2.01 -0.06 0.00 0.04 0.00 0.00 34.50 32.48 1uhr s PRO 90 CO 0.00 -1.00 -0.27 -1.13 0.04 0.00 0.00 177.00 174.64 1uhr n SER 91 N -2.82 1.67 -4.69 6.66 3.41 -1.26 -4.95 113.62 111.63 1uhr n SER 91 Ca 0.08 0.28 -0.42 0.00 -0.26 0.00 0.00 58.87 58.54 1uhr n SER 91 Cb 0.53 -0.64 -0.03 0.00 -0.26 0.00 0.00 64.21 63.82 1uhr n SER 91 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1uhr s SER 92 N -6.21 7.02 0.00 4.04 0.01 -1.26 -5.30 113.70 111.99 1uhr s SER 92 Ca -0.24 1.91 0.08 0.00 1.31 0.00 0.00 55.95 59.01 1uhr s SER 92 Cb 0.05 -2.56 0.06 0.00 0.21 0.00 0.00 66.02 63.78 1uhr s SER 92 CO 0.34 -0.59 0.74 0.61 0.41 0.00 0.00 173.24 174.75