#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbb s ILE 6 N 0.00 2.18 0.33 8.89 1.01 -1.10 -4.85 121.20 127.65 2qbb s ILE 6 Ca 0.00 -0.99 -0.21 0.00 0.00 0.00 0.00 60.65 59.45 2qbb s ILE 6 Cb 0.00 -1.83 -0.10 0.00 0.01 0.00 0.00 42.46 40.54 2qbb s ILE 6 CO 0.00 0.56 0.85 -0.13 0.00 0.00 0.00 174.94 176.22 2qbb s ARG 7 N 0.23 4.29 -0.41 2.79 0.52 0.19 -2.36 118.95 124.20 2qbb s ARG 7 Ca -0.15 1.03 0.04 0.00 -0.52 0.00 0.00 55.73 56.13 2qbb s ARG 7 Cb -0.17 -2.58 0.17 0.00 0.52 0.00 0.00 34.95 32.89 2qbb s ARG 7 CO 0.07 0.20 0.36 0.42 0.02 0.00 0.00 175.30 176.38 2qbb s ILE 8 N -1.81 0.25 -0.36 1.52 1.09 -1.22 -1.77 121.20 118.91 2qbb s ILE 8 Ca 0.52 -2.54 -0.29 0.00 -1.10 0.00 0.00 60.65 57.24 2qbb s ILE 8 Cb -0.14 -1.18 0.01 0.00 -1.06 0.00 0.00 42.46 40.09 2qbb s ILE 8 CO 0.19 -1.17 1.30 -0.13 -0.10 0.00 0.00 174.94 175.03 2qbb s ARG 9 N 0.13 3.79 -0.12 2.79 1.81 -1.26 -4.31 118.95 121.78 2qbb s ARG 9 Ca 0.33 1.04 -0.02 0.00 -1.72 0.00 0.00 55.73 55.36 2qbb s ARG 9 Cb 0.03 -3.92 -0.03 0.00 -0.45 0.00 0.00 34.95 30.59 2qbb s ARG 9 CO -0.19 -1.28 -0.06 -0.51 -0.68 0.00 0.00 175.30 172.58 2qbb s LEU 10 N 4.66 3.15 -0.02 2.53 1.43 -0.44 -0.62 118.68 129.37 2qbb s LEU 10 Ca 0.56 -0.12 -0.00 0.00 -1.03 0.00 0.00 54.13 53.54 2qbb s LEU 10 Cb -0.14 -1.73 0.03 0.00 0.03 0.00 0.00 46.19 44.38 2qbb s LEU 10 CO 0.27 0.24 0.03 -0.54 0.23 0.00 0.00 176.35 176.58 2qbb s LYS 11 N -0.06 -0.03 0.04 1.70 1.02 -1.09 -0.28 119.74 121.05 2qbb s LYS 11 Ca 0.01 0.22 -0.01 0.00 0.02 0.00 0.00 55.97 56.21 2qbb s LYS 11 Cb -0.13 -0.32 -0.03 0.00 -0.52 0.00 0.00 37.83 36.82 2qbb s LYS 11 CO 0.03 -0.20 -0.03 0.00 -0.92 0.00 0.00 175.35 174.23 2qbb s ALA 12 N 1.31 0.40 -1.83 5.17 0.00 -1.06 -2.18 121.76 123.57 2qbb s ALA 12 Ca -0.06 -1.02 0.01 0.00 0.00 0.00 0.00 51.96 50.89 2qbb s ALA 12 Cb -0.13 0.23 0.04 0.00 0.00 0.00 0.00 23.12 23.26 2qbb s ALA 12 CO -0.03 -0.30 0.96 1.19 0.00 0.00 0.00 175.76 177.58 2qbb n PHE 13 N 0.57 0.07 -3.64 0.00 0.99 -1.26 -1.29 117.46 112.90 2qbb n PHE 13 Ca -0.17 -0.03 -0.05 0.00 -0.00 0.00 0.00 57.45 57.20 2qbb n PHE 13 Cb 0.59 -0.02 -0.07 0.00 -1.00 0.00 0.00 39.48 38.98 2qbb n PHE 13 CO 0.00 0.00 0.00 0.16 -0.00 0.00 0.00 176.76 176.92 2qbb s ASP 14 N -0.84 -0.63 0.30 4.37 1.47 -1.26 -4.70 116.67 115.37 2qbb s ASP 14 Ca 0.03 1.04 0.04 0.00 1.18 0.00 0.00 52.55 54.83 2qbb s ASP 14 Cb 0.02 1.23 0.64 0.00 -0.34 0.00 0.00 42.92 44.47 2qbb s ASP 14 CO 0.02 -0.17 1.82 1.12 0.68 0.00 0.00 175.17 178.64 2qbb h HIS 15 N 6.07 1.10 -0.02 2.11 2.07 -1.93 -2.53 115.15 122.02 2qbb h HIS 15 Ca -0.29 0.03 0.01 0.00 -2.85 0.00 0.00 60.37 57.28 2qbb h HIS 15 Cb 1.20 -0.34 -0.03 0.00 2.57 0.00 0.00 27.41 30.81 2qbb h HIS 15 CO 0.13 0.37 -0.25 0.00 -3.07 0.00 0.00 177.93 175.11 2qbb h ARG 16 N 0.89 -0.29 -0.22 5.12 3.08 -1.99 0.16 114.38 121.14 2qbb h ARG 16 Ca 0.52 0.02 0.05 0.00 0.07 0.00 0.00 59.98 60.65 2qbb h ARG 16 Cb 0.65 0.07 -0.06 0.00 0.08 0.00 0.00 29.97 30.71 2qbb h ARG 16 CO -0.30 -0.19 -0.15 1.25 -1.07 0.00 0.00 179.97 179.51 2qbb h LEU 17 N -0.30 -0.48 -0.87 3.04 6.46 -1.94 -2.64 115.31 118.58 2qbb h LEU 17 Ca 0.01 0.10 0.02 0.00 -0.12 0.00 0.00 57.88 57.89 2qbb h LEU 17 Cb 0.33 0.25 -0.05 0.00 -0.73 0.00 0.00 40.66 40.46 2qbb h LEU 17 CO -0.18 -0.19 0.57 -0.29 -0.62 0.00 0.00 178.44 177.74 2qbb h ILE 18 N -0.14 1.18 -0.53 4.05 2.10 -1.28 -2.47 117.51 120.42 2qbb h ILE 18 Ca 0.13 -0.39 0.08 0.00 1.08 0.00 0.00 64.86 65.76 2qbb h ILE 18 Cb 0.33 -0.06 -0.07 0.00 -1.09 0.00 0.00 36.82 35.93 2qbb h ILE 18 CO -0.30 0.21 0.16 0.44 -1.08 0.00 0.00 178.15 177.58 2qbb h ASP 19 N 1.14 0.12 0.31 2.19 3.45 -0.30 0.41 116.42 123.74 2qbb h ASP 19 Ca 0.33 0.08 -0.02 0.00 0.43 0.00 0.00 57.03 57.86 2qbb h ASP 19 Cb -0.07 0.08 0.00 0.00 -0.56 0.00 0.00 39.33 38.79 2qbb h ASP 19 CO -0.09 0.09 -0.15 1.56 -1.57 0.00 0.00 179.24 179.08 2qbb h GLN 20 N 0.32 -0.40 -0.63 3.56 4.20 -1.35 0.51 115.11 121.33 2qbb h GLN 20 Ca 0.27 0.03 0.17 0.00 0.06 0.00 0.00 58.65 59.18 2qbb h GLN 20 Cb 0.33 0.09 -0.03 0.00 0.30 0.00 0.00 27.48 28.17 2qbb h GLN 20 CO -0.30 -0.17 0.45 0.00 -0.67 0.00 0.00 178.83 178.14 2qbb h ALA 21 N 0.09 2.53 0.00 3.87 0.00 -1.08 0.17 119.26 124.84 2qbb h ALA 21 Ca -0.04 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 2qbb h ALA 21 Cb 0.41 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 2qbb h ALA 21 CO 0.07 -0.71 -0.08 1.15 0.00 0.00 0.00 179.25 179.69 2qbb h THR 22 N 0.04 0.36 0.00 0.00 2.02 -0.47 -3.16 112.91 111.71 2qbb h THR 22 Ca 0.30 -1.28 0.00 0.00 0.77 0.00 0.00 66.41 66.20 2qbb h THR 22 Cb 1.13 0.69 0.00 0.00 -1.74 0.00 0.00 68.15 68.23 2qbb h THR 22 CO -0.02 0.12 0.24 0.00 0.37 0.00 0.00 175.52 176.23 2qbb h ALA 23 N -0.80 1.24 0.15 6.16 0.00 0.43 0.43 119.26 126.87 2qbb h ALA 23 Ca -0.01 0.00 -0.24 0.00 0.00 0.00 0.00 54.91 54.66 2qbb h ALA 23 Cb 0.26 0.00 0.03 0.00 0.00 0.00 0.00 17.79 18.08 2qbb h ALA 23 CO -0.01 -0.24 -1.03 1.49 0.00 0.00 0.00 179.25 179.46 2qbb h GLU 24 N 0.00 0.43 -0.19 0.00 4.81 -0.76 -1.74 114.58 117.12 2qbb h GLU 24 Ca 0.00 -0.67 -0.08 0.00 -0.13 0.00 0.00 59.36 58.48 2qbb h GLU 24 Cb 0.48 0.24 -0.00 0.00 0.63 0.00 0.00 28.75 30.09 2qbb h GLU 24 CO 0.00 1.30 -0.19 0.82 -0.73 0.00 0.00 179.01 180.21 2qbb h ILE 25 N -0.10 1.33 -0.21 2.32 2.04 -0.95 -2.74 117.51 119.19 2qbb h ILE 25 Ca -0.17 -1.36 -0.00 0.00 1.00 0.00 0.00 64.86 64.33 2qbb h ILE 25 Cb 1.79 1.78 -0.01 0.00 -0.74 0.00 0.00 36.82 39.64 2qbb h ILE 25 CO 0.20 0.41 0.12 0.58 0.00 0.00 0.00 178.15 179.45 2qbb h VAL 26 N 0.14 1.11 0.21 1.67 2.07 -1.19 -1.06 116.25 119.20 2qbb h VAL 26 Ca 0.03 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 67.26 2qbb h VAL 26 Cb 0.74 0.92 -0.03 0.00 -1.52 0.00 0.00 31.29 31.40 2qbb h VAL 26 CO 0.05 0.10 -0.39 -0.08 0.02 0.00 0.00 177.57 177.27 2qbb h GLU 27 N 0.23 -0.63 0.46 1.57 4.81 -1.33 -2.36 114.58 117.34 2qbb h GLU 27 Ca 0.07 0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.34 2qbb h GLU 27 Cb 0.06 0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.57 2qbb h GLU 27 CO -0.01 -0.42 -0.38 1.79 -0.73 0.00 0.00 179.01 179.26 2qbb h THR 28 N -0.65 0.23 -1.29 0.32 1.35 -1.50 -2.66 112.91 108.71 2qbb h THR 28 Ca -0.02 0.00 0.37 0.00 -0.55 0.00 0.00 66.41 66.21 2qbb h THR 28 Cb 0.61 0.23 -0.06 0.00 -1.73 0.00 0.00 68.15 67.20 2qbb h THR 28 CO -0.15 0.00 0.92 0.00 -0.25 0.00 0.00 175.52 176.04 2qbb h ALA 29 N -0.46 3.13 0.26 6.62 0.00 -1.18 -1.51 119.26 126.11 2qbb h ALA 29 Ca -0.05 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 2qbb h ALA 29 Cb 0.72 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.61 2qbb h ALA 29 CO -0.01 -1.52 -0.12 0.87 0.00 0.00 0.00 179.25 178.46 2qbb h LYS 30 N 0.04 -0.33 -2.55 0.00 1.57 -1.05 -3.07 116.57 111.17 2qbb h LYS 30 Ca 0.63 0.02 -0.54 0.00 -1.87 0.00 0.00 60.65 58.90 2qbb h LYS 30 Cb 2.42 0.08 -0.05 0.00 0.08 0.00 0.00 32.23 34.76 2qbb h LYS 30 CO -0.06 0.01 2.09 2.89 -0.57 0.00 0.00 179.45 183.81 2qbb n ARG 31 N -5.07 3.27 0.00 3.15 1.85 -0.57 -3.10 116.66 116.19 2qbb n ARG 31 Ca -0.09 -2.12 0.00 0.00 -1.00 0.00 0.00 57.85 54.64 2qbb n ARG 31 Cb 0.26 -2.48 0.00 0.00 -1.05 0.00 0.00 32.46 29.19 2qbb n ARG 31 CO 0.00 0.00 0.00 -2.37 -0.01 0.00 0.00 177.63 175.25 2qbb n THR 32 N 2.66 0.00 0.00 8.89 5.66 -1.24 -5.01 114.28 125.23 2qbb n THR 32 Ca 0.63 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.63 2qbb n THR 32 Cb 0.45 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.23 2qbb n THR 32 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2qbb n GLY 33 N 0.00 0.68 3.02 1.09 0.00 -1.18 -4.52 105.19 104.28 2qbb n GLY 33 Ca 0.00 -0.14 -0.37 0.00 0.00 0.00 0.00 46.02 45.50 2qbb n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qbb n ALA 34 N 0.00 -2.91 0.04 4.61 0.00 -1.16 -4.90 120.51 116.18 2qbb n ALA 34 Ca 0.00 0.03 0.09 0.00 0.00 0.00 0.00 53.44 53.56 2qbb n ALA 34 Cb 0.00 -1.33 -0.09 0.00 0.00 0.00 0.00 19.45 18.03 2qbb n ALA 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qbb n GLN 35 N 1.32 0.63 -0.90 0.00 10.64 -1.17 -4.17 117.38 123.73 2qbb n GLN 35 Ca 0.09 -0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.25 2qbb n GLN 35 Cb 0.41 -1.68 0.00 0.00 -0.86 0.00 0.00 30.24 28.10 2qbb n GLN 35 CO 0.00 0.00 0.00 0.28 -1.83 0.00 0.00 177.06 175.51 2qbb n VAL 36 N -2.53 -3.32 0.12 -0.39 0.31 -1.26 -4.72 118.33 106.54 2qbb n VAL 36 Ca -0.04 1.29 -0.09 0.00 -0.01 0.00 0.00 64.34 65.49 2qbb n VAL 36 Cb 0.62 -2.13 0.08 0.00 -0.91 0.00 0.00 33.84 31.50 2qbb n VAL 36 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 2qbb n ARG 37 N -0.15 1.54 -1.42 5.55 3.00 -1.06 -4.74 116.66 119.37 2qbb n ARG 37 Ca 0.00 -1.20 0.00 0.00 -0.00 0.00 0.00 57.85 56.65 2qbb n ARG 37 Cb 0.00 -1.48 0.00 0.00 0.00 0.00 0.00 32.46 30.98 2qbb n ARG 37 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2qbb n GLY 38 N -0.14 -4.45 3.60 5.14 0.00 -1.26 -4.75 105.19 103.34 2qbb n GLY 38 Ca 0.23 -0.75 -0.43 0.00 0.00 0.00 0.00 46.02 45.07 2qbb n GLY 38 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2qbb s PRO 39 N -4.07 3.48 -0.04 1.61 0.04 -1.26 -3.90 135.00 130.87 2qbb s PRO 39 Ca 0.00 1.26 -0.15 0.00 0.04 0.00 0.00 61.00 62.14 2qbb s PRO 39 Cb 0.00 -4.11 -0.05 0.00 0.04 0.00 0.00 34.50 30.38 2qbb s PRO 39 CO 0.00 -1.67 0.40 0.42 0.04 0.00 0.00 177.00 176.19 2qbb s ILE 40 N 6.11 5.09 -0.10 0.56 1.01 -1.26 -4.89 121.20 127.71 2qbb s ILE 40 Ca 0.71 0.82 -0.20 0.00 0.00 0.00 0.00 60.65 61.98 2qbb s ILE 40 Cb -0.19 -3.72 -0.17 0.00 0.01 0.00 0.00 42.46 38.39 2qbb s ILE 40 CO 0.33 0.52 0.65 1.55 0.00 0.00 0.00 174.94 177.99 2qbb h PRO 41 N 5.22 -0.05 -2.33 2.79 0.13 -1.95 -1.20 132.00 134.61 2qbb h PRO 41 Ca -0.49 0.00 0.07 0.00 -0.87 0.00 0.00 66.00 64.72 2qbb h PRO 41 Cb 1.21 0.01 -0.04 0.00 0.13 0.00 0.00 31.00 32.31 2qbb h PRO 41 CO 0.65 0.56 -0.68 1.28 -0.23 0.00 0.00 178.00 179.58 2qbb n LEU 42 N -4.73 -0.94 -4.71 1.56 4.32 -1.26 -4.18 117.00 107.06 2qbb n LEU 42 Ca -0.07 1.73 -0.39 0.00 -0.02 0.00 0.00 56.01 57.26 2qbb n LEU 42 Cb 0.31 -1.74 0.04 0.00 -1.62 0.00 0.00 43.42 40.41 2qbb n LEU 42 CO 0.24 -0.80 0.87 -0.81 -1.22 0.00 0.00 177.39 175.67 2qbb n PRO 43 N -2.63 1.53 -3.60 3.23 -0.04 -1.26 -4.76 135.00 127.47 2qbb n PRO 43 Ca -0.02 0.56 -0.40 0.00 -0.04 0.00 0.00 63.50 63.60 2qbb n PRO 43 Cb 0.35 -2.45 -0.09 0.00 -0.04 0.00 0.00 33.50 31.27 2qbb n PRO 43 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2qbb s THR 44 N -1.32 4.08 0.12 0.52 2.01 -1.26 -4.78 115.64 115.00 2qbb s THR 44 Ca 0.71 -1.99 -0.31 0.00 0.31 0.00 0.00 61.69 60.42 2qbb s THR 44 Cb -0.43 -3.69 -0.09 0.00 0.01 0.00 0.00 72.50 68.30 2qbb s THR 44 CO 0.50 -0.79 1.55 -0.13 -0.69 0.00 0.00 174.62 175.06 2qbb s ARG 45 N 1.12 4.23 -0.29 4.92 0.52 -1.26 -4.81 118.95 123.38 2qbb s ARG 45 Ca 0.08 2.28 0.03 0.00 -0.52 0.00 0.00 55.73 57.60 2qbb s ARG 45 Cb -0.24 -3.33 0.07 0.00 0.52 0.00 0.00 34.95 31.97 2qbb s ARG 45 CO -0.02 -0.61 -0.05 -1.59 0.02 0.00 0.00 175.30 173.04 2qbb s LYS 46 N 1.66 1.93 -0.24 3.54 -2.85 -1.26 -2.81 119.74 119.71 2qbb s LYS 46 Ca 0.70 -1.50 -0.29 0.00 -1.00 0.00 0.00 55.97 53.88 2qbb s LYS 46 Cb -0.41 -2.97 0.00 0.00 -2.06 0.00 0.00 37.83 32.40 2qbb s LYS 46 CO 0.31 -0.70 1.17 -1.21 0.10 0.00 0.00 175.35 175.02 2qbb s GLU 47 N 1.06 4.14 0.20 1.78 8.01 -1.18 -4.84 118.70 127.88 2qbb s GLU 47 Ca -0.02 1.37 0.04 0.00 0.01 0.00 0.00 54.97 56.37 2qbb s GLU 47 Cb -0.20 -3.75 -0.03 0.00 -4.31 0.00 0.00 34.13 25.84 2qbb s GLU 47 CO -0.06 -0.81 0.31 1.03 0.01 0.00 0.00 175.26 175.73 2qbb s ARG 48 N 3.58 3.36 -0.03 1.61 0.52 -1.26 -1.16 118.95 125.57 2qbb s ARG 48 Ca 0.50 -0.73 0.00 0.00 -0.52 0.00 0.00 55.73 54.98 2qbb s ARG 48 Cb -0.17 -2.88 0.03 0.00 0.52 0.00 0.00 34.95 32.45 2qbb s ARG 48 CO 0.14 0.46 0.01 -0.06 0.02 0.00 0.00 175.30 175.87 2qbb s PHE 49 N -1.89 0.27 -0.15 -0.53 0.40 0.14 -4.94 117.98 111.28 2qbb s PHE 49 Ca 0.34 0.02 -0.03 0.00 -0.60 0.00 0.00 56.93 56.66 2qbb s PHE 49 Cb -0.10 -0.40 -0.03 0.00 0.51 0.00 0.00 43.02 43.01 2qbb s PHE 49 CO 0.28 -0.13 -0.04 0.99 0.70 0.00 0.00 175.22 177.02 2qbb s THR 50 N 1.10 3.90 -0.18 0.64 2.01 -1.26 -0.30 115.64 121.56 2qbb s THR 50 Ca -0.09 -0.36 -0.13 0.00 0.31 0.00 0.00 61.69 61.42 2qbb s THR 50 Cb -0.13 -2.70 0.05 0.00 0.01 0.00 0.00 72.50 69.73 2qbb s THR 50 CO -0.02 0.50 0.45 0.54 -0.69 0.00 0.00 174.62 175.40 2qbb s VAL 51 N 0.28 -0.01 0.20 3.82 0.11 -0.48 -4.89 120.40 119.44 2qbb s VAL 51 Ca -0.03 0.04 -0.33 0.00 -2.93 0.00 0.00 61.98 58.73 2qbb s VAL 51 Cb -0.14 -0.65 -0.13 0.00 -1.53 0.00 0.00 36.38 33.93 2qbb s VAL 51 CO 0.03 0.01 1.61 0.18 -3.33 0.00 0.00 175.10 173.61 2qbb n LEU 52 N 3.48 3.56 0.07 2.54 4.32 -1.26 0.71 117.00 130.41 2qbb n LEU 52 Ca -0.18 1.09 -0.21 0.00 -0.02 0.00 0.00 56.01 56.69 2qbb n LEU 52 Cb 0.56 -1.50 -0.15 0.00 -1.62 0.00 0.00 43.42 40.72 2qbb n LEU 52 CO 0.09 -0.09 -0.09 -0.29 -1.22 0.00 0.00 177.39 175.79 2qbb h ILE 53 N 3.59 1.39 -3.53 -0.08 2.10 -1.84 -3.43 117.51 115.70 2qbb h ILE 53 Ca -0.44 -2.56 -0.53 0.00 1.08 0.00 0.00 64.86 62.41 2qbb h ILE 53 Cb 1.23 3.10 -0.03 0.00 -1.09 0.00 0.00 36.82 40.03 2qbb h ILE 53 CO 0.89 0.74 0.21 -0.55 -1.08 0.00 0.00 178.15 178.36 2qbb s SER 54 N -7.12 7.39 0.04 2.19 0.15 -1.26 -5.01 113.70 110.07 2qbb s SER 54 Ca -0.13 1.65 -0.30 0.00 0.70 0.00 0.00 55.95 57.86 2qbb s SER 54 Cb 0.02 -2.51 -0.04 0.00 -1.71 0.00 0.00 66.02 61.78 2qbb s SER 54 CO 0.85 0.14 0.99 -2.16 1.20 0.00 0.00 173.24 174.26 2qbb s PRO 55 N -0.82 4.59 0.33 5.44 0.04 -1.26 -4.75 135.00 138.58 2qbb s PRO 55 Ca 0.38 1.45 0.00 0.00 0.04 0.00 0.00 61.00 62.87 2qbb s PRO 55 Cb -0.23 -3.43 0.00 0.00 0.04 0.00 0.00 34.50 30.88 2qbb s PRO 55 CO 0.26 0.01 0.00 1.58 0.04 0.00 0.00 177.00 178.90 2qbb n HIS 56 N 3.57 -3.78 -0.79 0.56 -0.00 -1.26 -4.96 115.22 108.56 2qbb n HIS 56 Ca 0.05 1.97 0.11 0.00 -0.00 0.00 0.00 57.72 59.85 2qbb n HIS 56 Cb 0.50 -3.20 -0.03 0.00 -0.00 0.00 0.00 29.99 27.26 2qbb n HIS 56 CO 0.00 0.00 0.00 1.55 -0.00 0.00 0.00 176.34 177.89 2qbb n VAL 57 N 0.05 0.00 -2.36 3.57 3.14 -1.26 -4.98 118.33 116.48 2qbb n VAL 57 Ca 0.00 0.00 -0.03 0.00 -2.96 0.00 0.00 64.34 61.35 2qbb n VAL 57 Cb 0.00 -0.26 0.00 0.00 -1.06 0.00 0.00 33.84 32.52 2qbb n VAL 57 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 2qbb n ASN 58 N -4.39 -5.51 0.13 6.55 3.02 -1.26 -4.83 115.26 108.96 2qbb n ASN 58 Ca 0.01 0.15 -0.02 0.00 -0.03 0.00 0.00 54.58 54.69 2qbb n ASN 58 Cb 0.35 -3.60 0.14 0.00 -0.61 0.00 0.00 39.78 36.06 2qbb n ASN 58 CO 0.00 0.00 0.00 0.07 -2.62 0.00 0.00 177.26 174.71 2qbb h LYS 59 N 0.77 0.00 0.00 3.52 2.10 -1.95 -2.92 116.57 118.08 2qbb h LYS 59 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2qbb h LYS 59 Cb 0.78 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.11 2qbb h LYS 59 CO 0.15 0.66 0.00 -0.25 -2.00 0.00 0.00 179.45 178.01 2qbb n ASP 60 N -3.71 0.00 0.00 7.07 9.92 -1.26 -4.07 116.55 124.50 2qbb n ASP 60 Ca -0.01 0.19 0.00 0.00 -0.53 0.00 0.00 54.79 54.44 2qbb n ASP 60 Cb 0.66 -0.34 0.00 0.00 -0.64 0.00 0.00 41.12 40.80 2qbb n ASP 60 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2qbb n ALA 61 N -1.34 0.00 -1.45 2.24 0.00 -1.10 -5.00 120.51 113.86 2qbb n ALA 61 Ca 0.06 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.68 2qbb n ALA 61 Cb 0.13 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.51 2qbb n ALA 61 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2qbb n ARG 62 N 0.00 -3.11 -3.63 0.00 5.12 -1.25 -4.70 116.66 109.09 2qbb n ARG 62 Ca 0.00 2.32 -0.11 0.00 -1.93 0.00 0.00 57.85 58.13 2qbb n ARG 62 Cb 0.00 -3.72 -0.07 0.00 -1.16 0.00 0.00 32.46 27.51 2qbb n ARG 62 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 2qbb s ASP 63 N -7.16 -0.56 -0.21 0.55 -1.08 0.22 -3.89 116.67 104.54 2qbb s ASP 63 Ca 0.00 1.07 -0.09 0.00 -0.52 0.00 0.00 52.55 53.01 2qbb s ASP 63 Cb 0.00 1.08 -0.05 0.00 -1.46 0.00 0.00 42.92 42.49 2qbb s ASP 63 CO 0.00 -0.19 0.11 -1.10 0.52 0.00 0.00 175.17 174.50 2qbb s GLN 64 N 0.24 4.05 0.21 4.34 -1.52 -1.26 -1.38 119.66 124.35 2qbb s GLN 64 Ca 0.02 -0.29 0.05 0.00 -1.95 0.00 0.00 55.36 53.19 2qbb s GLN 64 Cb -0.05 -3.37 -0.05 0.00 -0.22 0.00 0.00 33.01 29.32 2qbb s GLN 64 CO -0.03 0.21 -0.08 0.71 -0.25 0.00 0.00 175.29 175.84 2qbb s TYR 65 N 0.60 1.57 0.05 0.91 4.12 0.59 -4.95 117.35 120.24 2qbb s TYR 65 Ca 0.06 -0.74 -0.25 0.00 0.02 0.00 0.00 57.07 56.16 2qbb s TYR 65 Cb -0.12 -0.83 0.06 0.00 -1.52 0.00 0.00 41.96 39.55 2qbb s TYR 65 CO 0.01 0.16 0.58 -1.83 0.02 0.00 0.00 175.55 174.48 2qbb s GLU 66 N -3.75 1.09 -0.33 -0.62 -1.05 -1.26 0.27 118.70 113.05 2qbb s GLU 66 Ca 0.23 -0.16 -0.00 0.00 -0.15 0.00 0.00 54.97 54.89 2qbb s GLU 66 Cb 0.03 0.50 0.11 0.00 -0.44 0.00 0.00 34.13 34.33 2qbb s GLU 66 CO 0.06 -0.40 0.12 0.42 0.95 0.00 0.00 175.26 176.41 2qbb s ILE 67 N -2.41 0.97 -0.38 1.83 1.01 -0.31 -4.99 121.20 116.92 2qbb s ILE 67 Ca -0.05 -1.60 -0.29 0.00 0.00 0.00 0.00 60.65 58.70 2qbb s ILE 67 Cb -0.01 -1.72 0.01 0.00 0.01 0.00 0.00 42.46 40.75 2qbb s ILE 67 CO -0.01 -0.72 1.23 -0.13 0.00 0.00 0.00 174.94 175.31 2qbb s ARG 68 N 1.40 3.82 -0.86 2.79 0.52 -1.26 -3.09 118.95 122.27 2qbb s ARG 68 Ca 0.11 0.95 -0.09 0.00 -0.52 0.00 0.00 55.73 56.18 2qbb s ARG 68 Cb -0.19 -3.89 0.22 0.00 0.52 0.00 0.00 34.95 31.62 2qbb s ARG 68 CO -0.20 -1.24 0.78 0.99 0.02 0.00 0.00 175.30 175.64 2qbb s THR 69 N 4.47 5.19 1.03 0.02 2.01 -1.12 -4.22 115.64 123.01 2qbb s THR 69 Ca 0.53 -2.93 -0.12 0.00 0.31 0.00 0.00 61.69 59.48 2qbb s THR 69 Cb -0.12 -4.21 0.21 0.00 0.01 0.00 0.00 72.50 68.39 2qbb s THR 69 CO 0.26 -1.04 1.08 -1.00 -0.69 0.00 0.00 174.62 173.23 2qbb s HIS 70 N -0.35 1.94 0.16 4.92 0.09 -0.41 -4.16 115.29 117.47 2qbb s HIS 70 Ca 0.21 1.05 -0.21 0.00 -0.00 0.00 0.00 55.06 56.11 2qbb s HIS 70 Cb -0.12 -3.22 0.06 0.00 -0.00 0.00 0.00 32.58 29.30 2qbb s HIS 70 CO -0.08 -3.10 0.55 -0.48 -0.00 0.00 0.00 174.74 171.63 2qbb s LEU 71 N -6.62 -0.28 0.03 0.89 2.34 -1.25 -2.57 118.68 111.22 2qbb s LEU 71 Ca 0.66 -0.15 0.01 0.00 0.06 0.00 0.00 54.13 54.71 2qbb s LEU 71 Cb -0.20 2.40 -0.02 0.00 -0.56 0.00 0.00 46.19 47.80 2qbb s LEU 71 CO 0.59 -0.97 -0.05 -0.13 -1.06 0.00 0.00 176.35 174.73 2qbb s ARG 72 N -3.78 0.41 -0.19 1.48 1.81 0.62 -4.51 118.95 114.78 2qbb s ARG 72 Ca 0.03 -0.64 -0.17 0.00 -1.72 0.00 0.00 55.73 53.22 2qbb s ARG 72 Cb -0.01 -0.11 -0.07 0.00 -0.45 0.00 0.00 34.95 34.32 2qbb s ARG 72 CO -0.11 0.01 -0.34 -0.11 -0.68 0.00 0.00 175.30 174.07 2qbb n LEU 73 N 1.64 1.94 0.00 2.53 -0.00 -0.45 -1.32 117.00 121.33 2qbb n LEU 73 Ca -0.23 0.34 0.00 0.00 -0.00 0.00 0.00 56.01 56.13 2qbb n LEU 73 Cb 0.55 -0.75 0.00 0.00 -0.00 0.00 0.00 43.42 43.22 2qbb n LEU 73 CO 0.21 -0.18 0.00 0.52 -0.00 0.00 0.00 177.39 177.94 2qbb n VAL 74 N -4.44 0.00 -2.85 1.96 0.31 -1.25 -3.39 118.33 108.67 2qbb n VAL 74 Ca -0.19 0.00 -0.00 0.00 -0.01 0.00 0.00 64.34 64.14 2qbb n VAL 74 Cb 0.56 0.00 -0.00 0.00 -0.91 0.00 0.00 33.84 33.48 2qbb n VAL 74 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 2qbb n ASP 75 N 4.42 -7.06 -4.75 4.52 -0.08 -1.26 -3.49 116.55 108.85 2qbb n ASP 75 Ca 0.00 1.15 -0.40 0.00 -1.51 0.00 0.00 54.79 54.02 2qbb n ASP 75 Cb 0.00 -4.23 -0.04 0.00 2.34 0.00 0.00 41.12 39.19 2qbb n ASP 75 CO 0.00 0.00 0.00 0.27 0.12 0.00 0.00 177.20 177.59 2qbb s ILE 76 N -1.34 3.62 0.31 5.18 -5.25 -1.00 -2.58 121.20 120.15 2qbb s ILE 76 Ca -0.02 1.56 0.00 0.00 -0.99 0.00 0.00 60.65 61.20 2qbb s ILE 76 Cb 0.00 -3.99 -0.04 0.00 2.95 0.00 0.00 42.46 41.38 2qbb s ILE 76 CO 0.56 0.34 0.51 -0.69 -1.79 0.00 0.00 174.94 173.87 2qbb s VAL 77 N -0.89 5.13 -0.44 8.37 1.01 -1.26 0.15 120.40 132.46 2qbb s VAL 77 Ca 0.46 -0.45 -0.26 0.00 0.00 0.00 0.00 61.98 61.72 2qbb s VAL 77 Cb -0.31 -3.83 0.04 0.00 0.00 0.00 0.00 36.38 32.28 2qbb s VAL 77 CO 0.39 -0.46 0.63 -0.62 0.00 0.00 0.00 175.10 175.04 2qbb n GLU 78 N -1.52 -2.18 -0.83 2.72 4.71 -1.26 -3.07 120.64 119.21 2qbb n GLU 78 Ca -0.05 1.81 -0.31 0.00 -0.01 0.00 0.00 57.16 58.60 2qbb n GLU 78 Cb 0.56 -4.05 0.16 0.00 -1.01 0.00 0.00 31.44 27.10 2qbb n GLU 78 CO 0.00 0.00 0.00 -1.25 0.09 0.00 0.00 177.13 175.97 2qbb s PRO 79 N -2.55 1.10 -0.03 3.49 0.04 -1.26 -3.55 135.00 132.23 2qbb s PRO 79 Ca 0.31 1.35 0.00 0.00 0.04 0.00 0.00 61.00 62.71 2qbb s PRO 79 Cb -0.06 -1.75 0.03 0.00 0.04 0.00 0.00 34.50 32.76 2qbb s PRO 79 CO 0.82 -2.51 -0.01 0.99 0.04 0.00 0.00 177.00 176.33 2qbb s THR 80 N -2.70 0.25 0.21 1.26 2.01 -1.26 -4.85 115.64 110.56 2qbb s THR 80 Ca 0.65 0.06 -0.15 0.00 0.31 0.00 0.00 61.69 62.56 2qbb s THR 80 Cb -0.21 -0.34 0.23 0.00 0.01 0.00 0.00 72.50 72.19 2qbb s THR 80 CO 0.58 0.17 1.39 1.21 -0.69 0.00 0.00 174.62 177.28 2qbb n GLU 81 N 4.21 -0.20 0.14 4.92 0.00 -1.26 0.00 120.64 128.45 2qbb n GLU 81 Ca -0.24 1.38 -0.11 0.00 0.00 0.00 0.00 57.16 58.18 2qbb n GLU 81 Cb 0.50 -2.05 -0.07 0.00 0.00 0.00 0.00 31.44 29.82 2qbb n GLU 81 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.13 178.70 2qbb h LYS 82 N 0.00 -0.39 -0.61 5.31 2.10 -1.96 -3.29 116.57 117.73 2qbb h LYS 82 Ca 0.32 0.03 0.12 0.00 -2.00 0.00 0.00 60.65 59.12 2qbb h LYS 82 Cb 0.55 0.09 -0.12 0.00 -0.90 0.00 0.00 32.23 31.85 2qbb h LYS 82 CO -0.89 -0.06 -0.19 1.15 -2.00 0.00 0.00 179.45 177.46 2qbb h THR 83 N -0.91 0.34 -0.88 0.07 2.02 -1.47 0.13 112.91 112.21 2qbb h THR 83 Ca -0.04 0.00 0.21 0.00 0.77 0.00 0.00 66.41 67.34 2qbb h THR 83 Cb 0.51 0.34 -0.06 0.00 -1.74 0.00 0.00 68.15 67.20 2qbb h THR 83 CO 0.07 0.00 0.59 0.58 0.37 0.00 0.00 175.52 177.13 2qbb h VAL 84 N -0.04 0.67 -0.01 3.16 2.07 -0.53 0.42 116.25 122.00 2qbb h VAL 84 Ca 0.29 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.69 2qbb h VAL 84 Cb 0.48 0.29 0.00 0.00 -1.52 0.00 0.00 31.29 30.54 2qbb h VAL 84 CO -0.65 0.06 -0.37 0.47 0.02 0.00 0.00 177.57 177.10 2qbb n ASP 85 N -4.48 1.47 0.26 0.57 8.00 0.21 -4.03 116.55 118.54 2qbb n ASP 85 Ca 0.19 -1.16 0.15 0.00 0.71 0.00 0.00 54.79 54.67 2qbb n ASP 85 Cb 0.71 0.31 0.60 0.00 -0.02 0.00 0.00 41.12 42.73 2qbb n ASP 85 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2qbb h ALA 86 N 3.75 1.01 0.00 2.24 0.00 0.23 -2.23 119.26 124.27 2qbb h ALA 86 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2qbb h ALA 86 Cb 0.62 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.40 2qbb h ALA 86 CO 0.00 0.07 0.00 1.28 0.00 0.00 0.00 179.25 180.60 2qbb n LEU 87 N -3.17 0.00 0.26 0.00 7.99 -1.21 -2.86 117.00 118.00 2qbb n LEU 87 Ca 0.01 0.48 0.15 0.00 -0.01 0.00 0.00 56.01 56.64 2qbb n LEU 87 Cb 0.35 -0.48 0.60 0.00 -0.11 0.00 0.00 43.42 43.77 2qbb n LEU 87 CO 0.29 -0.02 0.93 0.24 -1.51 0.00 0.00 177.39 177.33 2qbb h MET 88 N 0.00 0.00 0.02 3.23 2.86 -1.66 -3.18 114.93 116.20 2qbb h MET 88 Ca 0.00 0.00 -0.33 0.00 -2.06 0.00 0.00 59.70 57.31 2qbb h MET 88 Cb 0.47 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.08 2qbb h MET 88 CO 0.00 0.06 -1.82 0.54 1.06 0.00 0.00 176.91 176.75 2qbb n ARG 89 N -3.18 0.61 -2.80 1.72 3.00 -1.13 -4.79 116.66 110.09 2qbb n ARG 89 Ca 0.01 0.41 -0.43 0.00 -0.01 0.00 0.00 57.85 57.83 2qbb n ARG 89 Cb 0.35 -1.66 -0.04 0.00 0.00 0.00 0.00 32.46 31.11 2qbb n ARG 89 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.63 176.46 2qbb s LEU 90 N -7.53 4.11 -0.29 0.55 2.96 -1.20 -4.92 118.68 112.36 2qbb s LEU 90 Ca -0.31 -0.74 -0.04 0.00 -0.22 0.00 0.00 54.13 52.82 2qbb s LEU 90 Cb 0.09 -2.55 0.19 0.00 0.50 0.00 0.00 46.19 44.42 2qbb s LEU 90 CO 0.60 -1.46 0.86 1.51 -1.32 0.00 0.00 176.35 176.54 2qbb s ASP 91 N 3.48 -0.92 0.00 3.68 3.84 -1.26 -4.74 116.67 120.76 2qbb s ASP 91 Ca 0.26 0.13 0.00 0.00 -0.00 0.00 0.00 52.55 52.94 2qbb s ASP 91 Cb -0.14 1.59 0.00 0.00 -1.38 0.00 0.00 42.92 42.99 2qbb s ASP 91 CO 0.13 -0.17 0.00 0.00 -0.00 0.00 0.00 175.17 175.13 2qbb n LEU 92 N 5.25 0.00 -3.15 2.11 -0.00 -1.26 -5.08 117.00 114.88 2qbb n LEU 92 Ca 0.07 0.00 -0.20 0.00 -0.00 0.00 0.00 56.01 55.88 2qbb n LEU 92 Cb 0.56 0.00 0.02 0.00 -0.00 0.00 0.00 43.42 44.00 2qbb n LEU 92 CO -0.12 0.00 -0.17 0.00 -0.00 0.00 0.00 177.39 177.10 2qbb n ALA 93 N -3.00 -2.67 0.28 1.47 0.00 -1.26 -4.81 120.51 110.52 2qbb n ALA 93 Ca 0.00 0.69 0.15 0.00 0.00 0.00 0.00 53.44 54.28 2qbb n ALA 93 Cb 0.00 -2.71 0.90 0.00 0.00 0.00 0.00 19.45 17.64 2qbb n ALA 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qbb h ALA 94 N 2.23 1.58 -0.18 0.00 0.00 -2.03 -2.08 119.26 118.79 2qbb h ALA 94 Ca -0.24 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.61 2qbb h ALA 94 Cb 1.10 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 2qbb h ALA 94 CO 0.19 -0.04 -0.13 0.78 0.00 0.00 0.00 179.25 180.05 2qbb h GLY 95 N 0.00 0.31 -1.81 0.00 0.00 -1.98 -3.44 103.07 96.14 2qbb h GLY 95 Ca 0.01 -0.19 -0.47 0.00 0.00 0.00 0.00 47.33 46.68 2qbb h GLY 95 CO -0.00 0.18 -0.07 -1.34 0.00 0.00 0.00 176.54 175.30 2qbb s VAL 96 N -4.72 2.30 -0.03 4.60 -7.23 -0.78 -4.41 120.40 110.12 2qbb s VAL 96 Ca -0.06 -0.89 -0.09 0.00 -1.81 0.00 0.00 61.98 59.12 2qbb s VAL 96 Cb 0.15 -2.40 0.01 0.00 0.56 0.00 0.00 36.38 34.70 2qbb s VAL 96 CO 0.74 0.00 0.21 1.51 -0.31 0.00 0.00 175.10 177.25 2qbb s ASP 97 N -4.62 -0.12 -0.08 4.85 -4.77 -0.93 -4.98 116.67 106.02 2qbb s ASP 97 Ca 0.62 0.11 0.01 0.00 -3.30 0.00 0.00 52.55 49.99 2qbb s ASP 97 Cb -0.06 0.33 -0.03 0.00 -1.09 0.00 0.00 42.92 42.07 2qbb s ASP 97 CO 0.39 -0.29 -0.11 0.68 0.70 0.00 0.00 175.17 176.55 2qbb s VAL 98 N -0.84 3.35 -0.17 2.11 -7.23 -1.26 -2.65 120.40 113.71 2qbb s VAL 98 Ca -0.09 -0.60 0.14 0.00 -1.81 0.00 0.00 61.98 59.62 2qbb s VAL 98 Cb -0.05 -2.36 0.38 0.00 0.56 0.00 0.00 36.38 34.91 2qbb s VAL 98 CO 0.02 0.57 1.19 0.00 -0.31 0.00 0.00 175.10 176.58 2qbb n GLN 99 N 2.59 1.31 -1.41 4.82 6.02 0.21 -4.97 117.38 125.95 2qbb n GLN 99 Ca -0.18 -2.96 -0.48 0.00 -0.01 0.00 0.00 57.00 53.38 2qbb n GLN 99 Cb 0.53 -1.38 -0.14 0.00 1.02 0.00 0.00 30.24 30.27 2qbb n GLN 99 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.06 176.49 2qbb n ILE 100 N -0.96 0.00 -3.99 5.09 -5.35 -1.26 -4.21 119.36 108.68 2qbb n ILE 100 Ca 0.16 -0.01 -0.25 0.00 -0.27 0.00 0.00 62.75 62.38 2qbb n ILE 100 Cb 0.73 -0.55 -0.04 0.00 -1.74 0.00 0.00 39.64 38.04 2qbb n ILE 100 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 2qbb s SER 101 N 7.91 4.59 0.00 7.28 0.01 -0.73 -4.91 113.70 127.85 2qbb s SER 101 Ca 1.29 -1.12 0.02 0.00 1.31 0.00 0.00 55.95 57.45 2qbb s SER 101 Cb -1.33 -0.12 0.10 0.00 0.21 0.00 0.00 66.02 64.88 2qbb s SER 101 CO 0.55 -0.78 0.59 0.18 0.41 0.00 0.00 173.24 174.19