#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 4.13 -0.30 1.61 0.15 -1.26 -5.08 113.70 112.95 1uhr s SER 2 Ca 0.00 -0.72 -0.13 0.00 0.70 0.00 0.00 55.95 55.81 1uhr s SER 2 Cb 0.00 -0.63 0.18 0.00 -1.71 0.00 0.00 66.02 63.86 1uhr s SER 2 CO 0.00 0.06 1.07 -0.55 1.20 0.00 0.00 173.24 175.02 1uhr s SER 3 N -3.21 -0.39 0.00 5.45 0.15 -1.26 -4.95 113.70 109.49 1uhr s SER 3 Ca 0.27 0.12 0.00 0.00 0.70 0.00 0.00 55.95 57.04 1uhr s SER 3 Cb -0.07 1.28 0.00 0.00 -1.71 0.00 0.00 66.02 65.51 1uhr s SER 3 CO 0.16 -0.07 0.00 0.61 1.20 0.00 0.00 173.24 175.14 1uhr n GLY 4 N 5.26 3.08 3.14 9.45 0.00 -1.26 -5.09 105.19 119.77 1uhr n GLY 4 Ca 0.02 -0.38 -0.01 0.00 0.00 0.00 0.00 46.02 45.66 1uhr n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1uhr n SER 5 N 0.00 -6.72 0.02 1.61 7.64 -1.26 -4.84 113.62 110.07 1uhr n SER 5 Ca 0.00 0.51 0.00 0.00 1.01 0.00 0.00 58.87 60.39 1uhr n SER 5 Cb 0.00 -2.01 0.00 0.00 -1.01 0.00 0.00 64.21 61.19 1uhr n SER 5 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1uhr n SER 6 N 1.20 -0.29 0.00 6.43 2.88 -1.26 -5.16 113.62 117.42 1uhr n SER 6 Ca -0.00 0.34 0.00 0.00 -1.33 0.00 0.00 58.87 57.88 1uhr n SER 6 Cb 0.45 0.57 0.00 0.00 -0.75 0.00 0.00 64.21 64.47 1uhr n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1uhr n GLY 7 N -1.05 3.53 3.26 0.46 0.00 -1.26 -5.07 105.19 105.06 1uhr n GLY 7 Ca 0.00 -1.62 -0.13 0.00 0.00 0.00 0.00 46.02 44.27 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 -0.59 -0.79 -1.53 1.61 6.02 -1.26 -4.93 117.38 115.91 1uhr n GLN 8 Ca 0.00 0.96 -0.29 0.00 -0.01 0.00 0.00 57.00 57.66 1uhr n GLN 8 Cb 0.00 -1.29 0.15 0.00 1.02 0.00 0.00 30.24 30.13 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 -1.46 0.79 0.16 -1.09 0.04 -1.26 -5.00 135.00 127.18 1uhr s PRO 9 Ca 0.13 0.16 -0.30 0.00 0.04 0.00 0.00 61.00 61.02 1uhr s PRO 9 Cb -0.01 -1.81 -0.07 0.00 0.04 0.00 0.00 34.50 32.64 1uhr s PRO 9 CO 0.29 -2.41 1.13 -1.25 0.04 0.00 0.00 177.00 174.80 1uhr s PRO 10 N -5.37 4.55 -0.05 0.56 0.04 -1.26 -5.03 135.00 128.43 1uhr s PRO 10 Ca 0.66 1.74 -0.02 0.00 0.04 0.00 0.00 61.00 63.43 1uhr s PRO 10 Cb -0.13 -3.29 0.03 0.00 0.04 0.00 0.00 34.50 31.16 1uhr s PRO 10 CO 0.54 -0.00 0.03 -0.65 0.04 0.00 0.00 177.00 176.95 1uhr s GLN 11 N -0.10 0.21 0.09 4.56 -0.21 -1.26 -3.86 119.66 119.08 1uhr s GLN 11 Ca 0.51 0.26 0.05 0.00 0.02 0.00 0.00 55.36 56.20 1uhr s GLN 11 Cb -0.30 -0.68 -0.04 0.00 1.00 0.00 0.00 33.01 32.99 1uhr s GLN 11 CO 0.34 -0.31 -0.01 -0.06 -2.12 0.00 0.00 175.29 173.14 1uhr s PHE 12 N 2.01 2.97 0.14 0.91 0.40 -0.22 -4.59 117.98 119.61 1uhr s PHE 12 Ca 0.04 -0.03 -0.28 0.00 -0.60 0.00 0.00 56.93 56.06 1uhr s PHE 12 Cb -0.12 -1.54 -0.07 0.00 0.51 0.00 0.00 43.02 41.80 1uhr s PHE 12 CO -0.04 0.47 0.88 0.21 0.70 0.00 0.00 175.22 177.44 1uhr s LYS 13 N -2.25 4.67 0.19 0.44 2.20 0.27 -3.47 119.74 121.79 1uhr s LYS 13 Ca 0.25 1.32 -0.16 0.00 -0.36 0.00 0.00 55.97 57.02 1uhr s LYS 13 Cb -0.12 -3.32 -0.08 0.00 -1.51 0.00 0.00 37.83 32.80 1uhr s LYS 13 CO 0.17 0.38 0.63 -0.51 -0.36 0.00 0.00 175.35 175.66 1uhr s LEU 14 N -0.56 4.31 1.11 5.43 1.43 -1.17 -0.09 118.68 129.14 1uhr s LEU 14 Ca 0.41 1.21 -0.14 0.00 -1.03 0.00 0.00 54.13 54.59 1uhr s LEU 14 Cb -0.23 -3.46 0.21 0.00 0.03 0.00 0.00 46.19 42.73 1uhr s LEU 14 CO 0.28 0.05 0.75 0.47 0.23 0.00 0.00 176.35 178.13 1uhr n ASP 15 N 0.65 -1.59 0.16 2.29 9.92 -0.64 -4.43 116.55 122.89 1uhr n ASP 15 Ca -0.03 -0.02 0.13 0.00 -0.53 0.00 0.00 54.79 54.34 1uhr n ASP 15 Cb 0.52 -1.22 0.45 0.00 -0.64 0.00 0.00 41.12 40.22 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 -2.34 0.00 0.00 -0.24 0.13 -1.97 1.05 132.00 128.64 1uhr h PRO 16 Ca -0.55 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.32 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 0.44 0.00 -2.07 0.54 -0.23 0.00 0.00 178.00 176.68 1uhr n ARG 17 N -2.51 0.67 -0.08 0.86 1.74 -1.26 -4.34 116.66 111.74 1uhr n ARG 17 Ca 0.03 0.02 -0.23 0.00 -0.77 0.00 0.00 57.85 56.91 1uhr n ARG 17 Cb 0.36 -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 -2.71 2.16 -0.71 0.55 7.94 -1.14 -2.57 117.00 120.53 1uhr n LEU 18 Ca -0.22 0.31 0.53 0.00 -1.11 0.00 0.00 56.01 55.53 1uhr n LEU 18 Cb 0.98 -0.98 0.83 0.00 0.53 0.00 0.00 43.42 44.77 1uhr n LEU 18 CO 0.44 0.53 1.49 0.00 -1.11 0.00 0.00 177.39 178.74 1uhr h ALA 19 N -0.39 3.87 0.01 1.96 0.00 0.94 0.52 119.26 126.17 1uhr h ALA 19 Ca -0.44 -0.07 -0.36 0.00 0.00 0.00 0.00 54.91 54.04 1uhr h ALA 19 Cb 1.59 0.15 -0.05 0.00 0.00 0.00 0.00 17.79 19.48 1uhr h ALA 19 CO -0.16 -2.43 -1.97 0.54 0.00 0.00 0.00 179.25 175.22 1uhr n ARG 20 N -3.94 0.60 -0.38 0.00 1.74 -1.26 -1.85 116.66 111.57 1uhr n ARG 20 Ca 0.44 0.38 -0.11 0.00 -0.77 0.00 0.00 57.85 57.80 1uhr n ARG 20 Cb 2.01 -1.62 -0.09 0.00 -1.02 0.00 0.00 32.46 31.74 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 -0.81 -2.04 0.19 0.55 5.85 0.23 -1.41 115.31 117.85 1uhr h LEU 21 Ca -0.53 0.31 -0.33 0.00 0.84 0.00 0.00 57.88 58.17 1uhr h LEU 21 Cb 1.55 0.90 0.01 0.00 0.37 0.00 0.00 40.66 43.50 1uhr h LEU 21 CO -0.26 -0.23 -1.56 -0.07 -0.34 0.00 0.00 178.44 175.98 1uhr h LEU 22 N -0.02 0.62 0.00 2.25 3.38 -1.30 -3.48 115.31 116.75 1uhr h LEU 22 Ca 0.15 -0.78 0.00 0.00 0.09 0.00 0.00 57.88 57.34 1uhr h LEU 22 Cb 0.40 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1uhr h LEU 22 CO -0.87 1.63 0.00 0.61 0.09 0.00 0.00 178.44 179.90 1uhr n GLY 23 N 1.73 0.81 3.53 0.83 0.00 -0.53 -5.05 105.19 106.52 1uhr n GLY 23 Ca -0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.06 4.65 0.03 -0.61 1.01 -1.01 -4.89 121.20 118.32 1uhr s ILE 24 Ca 0.00 0.36 -0.28 0.00 0.00 0.00 0.00 60.65 60.74 1uhr s ILE 24 Cb 0.00 -4.33 -0.15 0.00 0.01 0.00 0.00 42.46 37.98 1uhr s ILE 24 CO 0.00 -0.75 1.26 0.45 0.00 0.00 0.00 174.94 175.90 1uhr h HIS 25 N 9.00 -0.92 -1.97 3.97 3.86 -1.96 -3.40 115.15 123.73 1uhr h HIS 25 Ca -0.25 -0.02 -0.05 0.00 -1.16 0.00 0.00 60.37 58.89 1uhr h HIS 25 Cb 1.09 0.31 -0.26 0.00 1.06 0.00 0.00 27.41 29.60 1uhr h HIS 25 CO 0.80 -0.57 -0.34 0.99 0.86 0.00 0.00 177.93 179.66 1uhr s THR 26 N -4.93 -0.76 0.00 2.45 2.01 -1.26 -3.06 115.64 110.09 1uhr s THR 26 Ca -0.15 0.04 0.00 0.00 0.31 0.00 0.00 61.69 61.89 1uhr s THR 26 Cb 0.01 -0.82 0.00 0.00 0.01 0.00 0.00 72.50 71.70 1uhr s THR 26 CO 0.44 -0.01 0.00 0.00 -0.69 0.00 0.00 174.62 174.36 1uhr n GLN 27 N 5.40 0.41 -0.17 4.92 3.00 -1.23 -4.95 117.38 124.77 1uhr n GLN 27 Ca -0.06 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.93 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 -0.04 5.09 -2.24 -1.25 -1.05 114.28 114.79 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 -1.76 -0.13 0.00 -2.10 0.00 0.00 70.33 66.34 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 0.11 0.00 -0.78 2.43 -1.97 -2.55 114.38 111.61 1uhr h ARG 29 Ca 0.00 -0.18 0.00 0.00 -0.81 0.00 0.00 59.98 58.99 1uhr h ARG 29 Cb 0.00 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.62 1uhr h ARG 29 CO 0.00 1.09 0.00 -0.35 -1.51 0.00 0.00 179.97 179.20 1uhr n PRO 30 N -4.35 0.39 -0.08 0.20 -0.04 -1.26 0.07 135.00 129.93 1uhr n PRO 30 Ca -0.18 0.06 -0.05 0.00 -0.04 0.00 0.00 63.50 63.30 1uhr n PRO 30 Cb 0.66 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 32.47 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 -1.24 1.01 -0.05 0.52 0.31 -1.24 -3.90 118.33 113.74 1uhr n VAL 31 Ca 0.12 -0.75 -0.22 0.00 -0.01 0.00 0.00 64.34 63.48 1uhr n VAL 31 Cb 0.16 -0.35 -0.13 0.00 -0.91 0.00 0.00 33.84 32.62 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 -2.61 1.67 -0.31 2.52 5.41 -0.96 -3.22 119.36 121.86 1uhr n ILE 32 Ca -0.25 -0.40 0.04 0.00 1.00 0.00 0.00 62.75 63.14 1uhr n ILE 32 Cb 0.99 -1.84 0.19 0.00 -0.71 0.00 0.00 39.64 38.27 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 -0.38 0.90 0.63 1.39 2.10 -0.60 -1.59 117.51 119.96 1uhr h ILE 33 Ca -0.42 -0.29 -0.03 0.00 1.08 0.00 0.00 64.86 65.21 1uhr h ILE 33 Cb 1.74 -0.00 0.01 0.00 -1.09 0.00 0.00 36.82 37.47 1uhr h ILE 33 CO -0.06 0.15 -0.30 1.56 -1.08 0.00 0.00 178.15 178.43 1uhr h GLN 34 N 0.83 -0.81 -0.95 2.19 1.08 -1.72 0.14 115.11 115.87 1uhr h GLN 34 Ca 0.43 0.06 0.28 0.00 -1.45 0.00 0.00 58.65 57.96 1uhr h GLN 34 Cb 0.41 0.18 -0.04 0.00 -0.05 0.00 0.00 27.48 27.98 1uhr h GLN 34 CO -0.26 -0.49 0.97 0.00 -0.95 0.00 0.00 178.83 178.10 1uhr h ALA 35 N -0.86 2.82 0.01 3.87 0.00 -1.41 0.97 119.26 124.65 1uhr h ALA 35 Ca -0.09 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.68 1uhr h ALA 35 Cb 0.69 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 1uhr h ALA 35 CO 0.14 -1.46 -0.60 1.25 0.00 0.00 0.00 179.25 178.58 1uhr h LEU 36 N 0.00 0.03 -0.70 0.00 5.85 -0.77 -3.24 115.31 116.49 1uhr h LEU 36 Ca 0.45 -0.79 0.10 0.00 0.84 0.00 0.00 57.88 58.47 1uhr h LEU 36 Cb 2.39 -0.01 -0.07 0.00 0.37 0.00 0.00 40.66 43.34 1uhr h LEU 36 CO -0.00 1.24 0.33 -0.50 -0.34 0.00 0.00 178.44 179.17 1uhr h TRP 37 N -0.95 0.59 0.00 1.25 4.06 0.34 0.96 115.95 122.20 1uhr h TRP 37 Ca -0.16 0.03 0.00 0.00 2.06 0.00 0.00 58.89 60.82 1uhr h TRP 37 Cb 1.18 -0.16 0.00 0.00 -1.00 0.00 0.00 29.16 29.18 1uhr h TRP 37 CO 0.20 0.20 0.00 0.94 -3.56 0.00 0.00 178.44 176.22 1uhr n GLN 38 N -4.89 0.09 -0.06 0.49 -0.06 0.23 -1.10 117.38 112.08 1uhr n GLN 38 Ca 0.11 0.53 -0.20 0.00 -2.00 0.00 0.00 57.00 55.44 1uhr n GLN 38 Cb 0.28 -1.76 -0.13 0.00 -4.06 0.00 0.00 30.24 24.58 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 0.15 0.00 3.69 5.03 0.90 -2.05 116.97 124.70 1uhr h TYR 39 Ca 0.00 -0.11 -0.02 0.00 2.58 0.00 0.00 58.73 61.18 1uhr h TYR 39 Cb 0.07 -0.01 -0.00 0.00 1.55 0.00 0.00 36.73 38.34 1uhr h TYR 39 CO 0.00 1.44 -0.09 0.82 -1.32 0.00 0.00 178.16 179.01 1uhr h ILE 40 N -0.74 0.26 0.04 1.81 2.04 -0.66 1.50 117.51 121.75 1uhr h ILE 40 Ca -0.28 -0.66 -0.15 0.00 1.00 0.00 0.00 64.86 64.77 1uhr h ILE 40 Cb 1.42 1.52 -0.01 0.00 -0.74 0.00 0.00 36.82 39.02 1uhr h ILE 40 CO -0.08 0.09 -0.76 0.11 0.00 0.00 0.00 178.15 177.51 1uhr h LYS 41 N 0.00 0.09 -0.14 2.37 1.57 -1.24 0.13 116.57 119.36 1uhr h LYS 41 Ca -0.00 -0.15 -0.18 0.00 -1.87 0.00 0.00 60.65 58.45 1uhr h LYS 41 Cb 0.52 0.06 0.01 0.00 0.08 0.00 0.00 32.23 32.89 1uhr h LYS 41 CO 0.01 1.07 -0.62 1.15 -0.57 0.00 0.00 179.45 180.50 1uhr h THR 42 N -0.77 1.32 -0.04 -0.16 2.02 -1.20 -2.91 112.91 111.17 1uhr h THR 42 Ca -0.18 -1.87 0.00 0.00 0.77 0.00 0.00 66.41 65.13 1uhr h THR 42 Cb 1.33 2.07 0.00 0.00 -1.74 0.00 0.00 68.15 69.80 1uhr h THR 42 CO -0.03 0.58 0.00 1.41 0.37 0.00 0.00 175.52 177.85 1uhr n HIS 43 N -4.10 0.04 -4.08 3.16 8.25 0.51 -4.92 115.22 114.08 1uhr n HIS 43 Ca -0.08 -0.02 -0.45 0.00 -0.26 0.00 0.00 57.72 56.91 1uhr n HIS 43 Cb 0.66 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.79 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 -0.34 -0.24 -0.01 -0.41 4.76 -0.59 -4.77 118.16 116.56 1uhr n LYS 44 Ca 0.19 0.02 0.13 0.00 -2.87 0.00 0.00 58.31 55.78 1uhr n LYS 44 Cb 0.22 -2.24 0.65 0.00 -1.84 0.00 0.00 35.03 31.83 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 -4.87 0.73 -4.64 -0.35 4.77 0.37 -4.89 117.00 108.12 1uhr n LEU 45 Ca -0.10 -0.27 -0.49 0.00 -0.03 0.00 0.00 56.01 55.12 1uhr n LEU 45 Cb 0.53 -0.02 -0.05 0.00 -2.33 0.00 0.00 43.42 41.55 1uhr n LEU 45 CO 0.71 0.13 1.09 1.67 -1.33 0.00 0.00 177.39 179.66 1uhr n GLN 46 N -0.39 1.67 -1.71 3.23 7.27 -1.25 -0.05 117.38 126.15 1uhr n GLN 46 Ca 0.19 0.60 -0.43 0.00 0.07 0.00 0.00 57.00 57.44 1uhr n GLN 46 Cb 0.21 -2.32 -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 3.29 3.89 0.07 1.69 2.03 -0.70 -4.59 116.55 122.23 1uhr n ASP 47 Ca 0.18 1.06 0.12 0.00 0.52 0.00 0.00 54.79 56.67 1uhr n ASP 47 Cb 0.24 -1.55 0.46 0.00 -0.72 0.00 0.00 41.12 39.54 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 4.04 0.13 -0.08 -0.67 -0.04 -1.26 -3.42 135.00 133.69 1uhr n PRO 48 Ca 0.16 0.23 -0.13 0.00 -0.04 0.00 0.00 63.50 63.73 1uhr n PRO 48 Cb 0.34 -1.69 -0.08 0.00 -0.04 0.00 0.00 33.50 32.04 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 -5.04 0.54 3.86 -1.96 -3.48 115.15 109.06 1uhr h HIS 49 Ca 0.00 0.00 -0.33 0.00 -1.16 0.00 0.00 60.37 58.88 1uhr h HIS 49 Cb 0.47 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.91 1uhr h HIS 49 CO 0.00 0.79 -0.16 0.39 0.86 0.00 0.00 177.93 179.81 1uhr n GLU 50 N -4.57 1.04 -0.00 2.45 -0.58 -1.22 -5.06 120.64 112.70 1uhr n GLU 50 Ca -0.16 -1.98 0.01 0.00 -0.42 0.00 0.00 57.16 54.61 1uhr n GLU 50 Cb 0.43 0.23 -0.01 0.00 -0.57 0.00 0.00 31.44 31.52 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 -0.02 3.49 1.85 -1.26 -4.35 116.66 119.09 1uhr n ARG 51 Ca -0.02 -0.01 0.08 0.00 -1.00 0.00 0.00 57.85 56.90 1uhr n ARG 51 Cb 0.36 -0.77 -0.16 0.00 -1.05 0.00 0.00 32.46 30.84 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 0.66 -2.35 2.89 0.00 -1.26 -4.93 120.64 114.40 1uhr n GLU 52 Ca 0.00 -0.16 -0.26 0.00 0.00 0.00 0.00 57.16 56.74 1uhr n GLU 52 Cb 0.04 -1.50 0.04 0.00 0.00 0.00 0.00 31.44 30.03 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 -3.31 3.14 -0.13 -1.84 0.40 -1.26 0.15 117.98 115.14 1uhr s PHE 53 Ca -0.08 0.56 -0.04 0.00 -0.60 0.00 0.00 56.93 56.76 1uhr s PHE 53 Cb 0.12 -2.87 0.06 0.00 0.51 0.00 0.00 43.02 40.85 1uhr s PHE 53 CO 0.86 -0.99 0.25 0.54 0.70 0.00 0.00 175.22 176.57 1uhr s VAL 54 N -3.05 -0.39 -0.59 -0.44 0.11 0.51 -1.72 120.40 114.83 1uhr s VAL 54 Ca 0.56 0.26 -0.28 0.00 -2.93 0.00 0.00 61.98 59.59 1uhr s VAL 54 Cb -0.11 -0.44 0.03 0.00 -1.53 0.00 0.00 36.38 34.33 1uhr s VAL 54 CO 0.45 0.10 1.23 -0.76 -3.33 0.00 0.00 175.10 172.78 1uhr s LEU 55 N 2.40 3.42 0.31 2.54 1.43 0.93 -3.19 118.68 126.52 1uhr s LEU 55 Ca 0.02 0.09 -0.29 0.00 -1.03 0.00 0.00 54.13 52.91 1uhr s LEU 55 Cb -0.12 -3.11 -0.12 0.00 0.03 0.00 0.00 46.19 42.87 1uhr s LEU 55 CO -0.08 -1.54 1.40 0.00 0.23 0.00 0.00 176.35 176.36 1uhr s ASP 57 N 0.04 0.89 0.43 0.00 2.15 -1.26 -4.38 116.67 114.53 1uhr s ASP 57 Ca 0.60 0.48 0.13 0.00 0.43 0.00 0.00 52.55 54.19 1uhr s ASP 57 Cb -0.57 -0.61 1.01 0.00 -0.30 0.00 0.00 42.92 42.45 1uhr s ASP 57 CO 0.56 -4.13 1.98 0.07 -0.17 0.00 0.00 175.17 173.48 1uhr h LYS 58 N -2.59 0.42 0.09 4.34 -0.00 -1.97 1.20 116.57 118.06 1uhr h LYS 58 Ca -0.43 -0.03 -0.00 0.00 -0.00 0.00 0.00 60.65 60.19 1uhr h LYS 58 Cb 1.28 -0.10 0.00 0.00 -0.00 0.00 0.00 32.23 33.41 1uhr h LYS 58 CO 0.30 0.28 -0.04 1.88 -0.00 0.00 0.00 179.45 181.86 1uhr h TYR 59 N 0.43 -0.11 -0.84 0.07 0.05 -1.99 -3.11 116.97 111.47 1uhr h TYR 59 Ca 0.28 -0.00 -0.03 0.00 0.05 0.00 0.00 58.73 59.02 1uhr h TYR 59 Cb 0.51 0.04 -0.04 0.00 1.01 0.00 0.00 36.73 38.25 1uhr h TYR 59 CO -0.00 0.41 0.41 -0.07 -1.05 0.00 0.00 178.16 177.86 1uhr h LEU 60 N -0.79 1.09 -2.40 3.88 3.38 -1.73 -0.31 115.31 118.43 1uhr h LEU 60 Ca -0.01 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.83 1uhr h LEU 60 Cb 0.58 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.05 1uhr h LEU 60 CO 0.02 0.91 0.17 1.56 0.09 0.00 0.00 178.44 181.18 1uhr h GLN 61 N 1.19 0.00 0.00 1.13 4.20 0.14 1.74 115.11 123.51 1uhr h GLN 61 Ca 0.29 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.00 1uhr h GLN 61 Cb 0.10 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.88 1uhr h GLN 61 CO -0.04 0.00 -1.31 1.04 -0.67 0.00 0.00 178.83 177.86 1uhr n GLN 62 N -2.92 0.23 -0.08 1.46 1.13 -0.19 -2.95 117.38 114.06 1uhr n GLN 62 Ca -0.02 -0.06 -0.08 0.00 -1.94 0.00 0.00 57.00 54.89 1uhr n GLN 62 Cb 0.22 -1.51 -0.03 0.00 0.11 0.00 0.00 30.24 29.03 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 -1.78 1.48 0.06 5.09 5.41 0.25 -4.68 119.36 125.19 1uhr n ILE 63 Ca 0.01 0.16 -0.17 0.00 1.00 0.00 0.00 62.75 63.75 1uhr n ILE 63 Cb 0.41 -2.28 -0.08 0.00 -0.71 0.00 0.00 39.64 36.99 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 -0.92 0.81 -1.61 1.39 -1.00 0.20 -3.48 116.94 112.34 1uhr h PHE 64 Ca -0.01 -0.45 -0.22 0.00 2.81 0.00 0.00 57.97 60.11 1uhr h PHE 64 Cb 0.92 -0.09 -0.01 0.00 3.61 0.00 0.00 35.95 40.38 1uhr h PHE 64 CO -0.39 1.28 -0.29 0.39 -1.61 0.00 0.00 178.31 177.69 1uhr n GLU 65 N -3.79 -0.94 -3.81 1.51 1.02 -1.07 -4.99 120.64 108.57 1uhr n GLU 65 Ca -0.09 0.53 -0.30 0.00 -0.02 0.00 0.00 57.16 57.29 1uhr n GLU 65 Cb 0.86 -4.65 -0.14 0.00 -0.02 0.00 0.00 31.44 27.50 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 -2.51 4.03 0.28 1.62 0.01 -1.26 -4.98 113.70 110.88 1uhr s SER 66 Ca 0.00 -2.43 -0.06 0.00 1.31 0.00 0.00 55.95 54.78 1uhr s SER 66 Cb -0.00 -1.21 0.51 0.00 0.21 0.00 0.00 66.02 65.53 1uhr s SER 66 CO 0.01 -0.31 1.58 1.56 0.41 0.00 0.00 173.24 176.48 1uhr h GLN 67 N 7.10 0.01 -3.26 12.44 4.20 -1.91 -3.35 115.11 130.34 1uhr h GLN 67 Ca -0.05 -0.00 -0.32 0.00 0.06 0.00 0.00 58.65 58.34 1uhr h GLN 67 Cb 0.95 -0.00 -0.36 0.00 0.30 0.00 0.00 27.48 28.37 1uhr h GLN 67 CO 0.53 0.01 -0.68 0.50 -0.67 0.00 0.00 178.83 178.51 1uhr s ARG 68 N -6.18 -0.01 0.11 1.46 3.52 -1.26 -2.67 118.95 113.92 1uhr s ARG 68 Ca -0.14 0.41 0.00 0.00 -0.13 0.00 0.00 55.73 55.87 1uhr s ARG 68 Cb 0.26 -0.34 -0.04 0.00 -1.56 0.00 0.00 34.95 33.27 1uhr s ARG 68 CO 0.77 -0.27 -0.00 0.00 -0.81 0.00 0.00 175.30 174.99 1uhr s MET 69 N 1.90 0.86 0.28 5.12 0.23 -1.19 -4.98 119.30 121.53 1uhr s MET 69 Ca 0.00 -1.38 -0.23 0.00 -1.03 0.00 0.00 55.69 53.05 1uhr s MET 69 Cb -0.12 0.04 -0.09 0.00 -1.53 0.00 0.00 34.83 33.13 1uhr s MET 69 CO -0.04 -0.15 0.85 0.15 -2.03 0.00 0.00 175.02 173.80 1uhr s LYS 70 N -3.94 4.43 0.59 3.16 1.02 -1.26 -0.36 119.74 123.36 1uhr s LYS 70 Ca 0.17 1.12 0.29 0.00 0.02 0.00 0.00 55.97 57.56 1uhr s LYS 70 Cb 0.07 -2.82 1.52 0.00 -0.52 0.00 0.00 37.83 36.07 1uhr s LYS 70 CO -0.02 0.32 1.95 0.74 -0.92 0.00 0.00 175.35 177.42 1uhr h PHE 71 N 3.25 0.00 0.00 3.18 0.04 -0.60 1.41 116.94 124.22 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 1.19 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.34 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 -3.76 0.35 -0.89 2.17 2.88 -1.26 -2.55 113.62 110.56 1uhr n SER 72 Ca 0.07 0.54 0.12 0.00 -1.33 0.00 0.00 58.87 58.26 1uhr n SER 72 Cb 0.59 -0.63 0.26 0.00 -0.75 0.00 0.00 64.21 63.67 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 -1.84 2.19 -0.00 -1.46 -0.58 0.48 -4.13 120.64 115.30 1uhr n GLU 73 Ca 0.06 -1.77 -0.17 0.00 -0.42 0.00 0.00 57.16 54.86 1uhr n GLU 73 Cb 0.36 -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 3.79 1.47 0.00 -3.67 1.08 -1.35 -2.40 117.51 116.43 1uhr h ILE 74 Ca 0.00 -2.08 0.00 0.00 -0.39 0.00 0.00 64.86 62.39 1uhr h ILE 74 Cb 0.82 2.70 0.00 0.00 -3.07 0.00 0.00 36.82 37.27 1uhr h ILE 74 CO 0.00 0.59 0.00 -0.81 -0.69 0.00 0.00 178.15 177.24 1uhr n PRO 75 N -4.30 0.11 0.04 2.37 -0.04 -1.26 -1.64 135.00 130.28 1uhr n PRO 75 Ca -0.10 0.22 0.11 0.00 -0.04 0.00 0.00 63.50 63.69 1uhr n PRO 75 Cb 0.63 -1.66 0.03 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 -1.85 0.34 -0.00 0.54 7.27 -1.20 -3.93 117.38 118.55 1uhr n GLN 76 Ca 0.05 0.01 0.09 0.00 0.07 0.00 0.00 57.00 57.21 1uhr n GLN 76 Cb 0.29 -1.62 -0.11 0.00 2.41 0.00 0.00 30.24 31.21 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 -2.06 1.01 -0.03 3.69 3.00 -0.91 -4.31 116.66 117.05 1uhr n ARG 77 Ca 0.02 -0.05 -0.10 0.00 -0.01 0.00 0.00 57.85 57.71 1uhr n ARG 77 Cb 0.45 -1.36 0.05 0.00 0.00 0.00 0.00 32.46 31.60 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 0.72 -1.69 0.55 3.38 -1.43 -2.83 115.31 114.00 1uhr h LEU 78 Ca 0.00 -0.35 0.39 0.00 0.09 0.00 0.00 57.88 58.01 1uhr h LEU 78 Cb 0.53 -0.20 -0.09 0.00 0.09 0.00 0.00 40.66 40.99 1uhr h LEU 78 CO 0.00 1.08 0.91 0.45 0.09 0.00 0.00 178.44 180.96 1uhr h HIS 79 N 0.52 0.30 -0.06 1.13 3.86 -1.75 1.63 115.15 120.78 1uhr h HIS 79 Ca 0.03 0.01 -0.06 0.00 -1.16 0.00 0.00 60.37 59.19 1uhr h HIS 79 Cb 1.02 -0.08 0.00 0.00 1.06 0.00 0.00 27.41 29.42 1uhr h HIS 79 CO 0.05 -0.04 -0.18 0.00 0.86 0.00 0.00 177.93 178.61 1uhr h ALA 80 N 1.44 0.10 0.00 2.45 0.00 -1.78 -2.90 119.26 118.57 1uhr h ALA 80 Ca 0.70 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 55.23 1uhr h ALA 80 Cb 2.43 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 20.21 1uhr h ALA 80 CO -0.19 0.05 0.00 1.28 0.00 0.00 0.00 179.25 180.39 1uhr n LEU 81 N -4.57 0.52 -4.55 0.00 4.77 0.31 -4.52 117.00 108.95 1uhr n LEU 81 Ca -0.08 0.61 -0.39 0.00 -0.03 0.00 0.00 56.01 56.11 1uhr n LEU 81 Cb 0.41 -0.52 -0.11 0.00 -2.33 0.00 0.00 43.42 40.88 1uhr n LEU 81 CO 0.39 -0.42 -0.13 -0.76 -1.33 0.00 0.00 177.39 175.14 1uhr s LEU 82 N -4.10 4.33 0.26 2.23 1.43 0.48 -1.62 118.68 121.68 1uhr s LEU 82 Ca 0.06 -0.26 0.11 0.00 -1.03 0.00 0.00 54.13 53.02 1uhr s LEU 82 Cb 0.10 -2.14 -0.05 0.00 0.03 0.00 0.00 46.19 44.13 1uhr s LEU 82 CO 0.40 -0.17 -0.16 -0.04 0.23 0.00 0.00 176.35 176.61 1uhr s MET 83 N 1.75 1.81 -0.27 1.70 -1.94 0.87 -4.77 119.30 118.45 1uhr s MET 83 Ca 0.07 -1.62 -0.29 0.00 -1.71 0.00 0.00 55.69 52.14 1uhr s MET 83 Cb -0.17 -1.89 -0.00 0.00 2.01 0.00 0.00 34.83 34.77 1uhr s MET 83 CO 0.11 0.36 1.34 -1.25 -0.01 0.00 0.00 175.02 175.56 1uhr s PRO 84 N -3.37 3.95 -0.61 2.03 0.04 -1.26 0.95 135.00 136.73 1uhr s PRO 84 Ca 0.29 1.36 -0.06 0.00 0.04 0.00 0.00 61.00 62.63 1uhr s PRO 84 Cb -0.06 -3.88 -0.14 0.00 0.04 0.00 0.00 34.50 30.46 1uhr s PRO 84 CO 0.15 -1.08 2.66 -0.35 0.04 0.00 0.00 177.00 178.42 1uhr n PRO 85 N 7.26 2.14 -3.82 0.56 -0.04 -1.26 -4.77 135.00 135.06 1uhr n PRO 85 Ca 0.15 -1.26 -0.10 0.00 -0.04 0.00 0.00 63.50 62.25 1uhr n PRO 85 Cb 0.46 -2.24 -0.08 0.00 -0.04 0.00 0.00 33.50 31.61 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 2.19 0.76 0.05 0.54 -1.05 -1.26 -5.06 118.70 114.88 1uhr s GLU 86 Ca 0.51 -0.66 -0.16 0.00 -0.15 0.00 0.00 54.97 54.50 1uhr s GLU 86 Cb 0.19 0.32 -0.21 0.00 -0.44 0.00 0.00 34.13 33.99 1uhr s GLU 86 CO -0.02 -0.24 1.19 -1.00 0.95 0.00 0.00 175.26 176.14 1uhr h PRO 87 N 3.22 0.59 -3.85 -4.83 0.13 -1.98 -3.39 132.00 121.89 1uhr h PRO 87 Ca -0.32 -0.58 -0.72 0.00 -0.87 0.00 0.00 66.00 63.51 1uhr h PRO 87 Cb 1.20 0.15 -0.33 0.00 0.13 0.00 0.00 31.00 32.15 1uhr h PRO 87 CO 0.49 1.19 -0.31 0.45 -0.23 0.00 0.00 178.00 179.60 1uhr s SER 88 N -6.97 5.59 0.34 1.44 0.15 -1.26 -4.86 113.70 108.14 1uhr s SER 88 Ca -0.12 -2.58 -0.02 0.00 0.70 0.00 0.00 55.95 53.94 1uhr s SER 88 Cb 0.06 -1.94 -0.04 0.00 -1.71 0.00 0.00 66.02 62.39 1uhr s SER 88 CO 0.87 -0.48 0.57 -0.83 1.20 0.00 0.00 173.24 174.57 1uhr s GLY 89 N 1.41 1.50 -0.08 9.45 0.00 -1.26 -5.04 107.32 113.31 1uhr s GLY 89 Ca 0.14 -0.77 -0.23 0.00 0.00 0.00 0.00 44.72 43.87 1uhr s GLY 89 CO -0.04 -0.68 0.85 -0.56 0.00 0.00 0.00 173.10 172.66 1uhr h PRO 90 N 0.96 -0.09 -4.07 2.90 0.13 -1.98 -3.38 132.00 126.48 1uhr h PRO 90 Ca -0.49 0.01 -0.76 0.00 -0.87 0.00 0.00 66.00 63.89 1uhr h PRO 90 Cb 1.21 0.02 -0.26 0.00 0.13 0.00 0.00 31.00 32.10 1uhr h PRO 90 CO 0.63 0.50 -0.20 0.45 -0.23 0.00 0.00 178.00 179.14 1uhr s SER 91 N -5.75 6.17 -0.08 1.44 0.15 -1.26 -4.81 113.70 109.55 1uhr s SER 91 Ca -0.14 -2.03 -0.06 0.00 0.70 0.00 0.00 55.95 54.42 1uhr s SER 91 Cb -0.00 -2.16 0.02 0.00 -1.71 0.00 0.00 66.02 62.17 1uhr s SER 91 CO 0.54 -0.75 0.12 -0.24 1.20 0.00 0.00 173.24 174.11 1uhr n SER 92 N 4.87 -4.20 -0.31 5.45 2.88 -1.26 -5.02 113.62 116.03 1uhr n SER 92 Ca -0.07 1.47 0.15 0.00 -1.33 0.00 0.00 58.87 59.09 1uhr n SER 92 Cb 0.41 -4.62 0.68 0.00 -0.75 0.00 0.00 64.21 59.93 1uhr n SER 92 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42