#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qan s ILE 6 N 0.00 2.10 0.24 8.89 1.01 -1.08 -4.70 121.20 127.66 2qan s ILE 6 Ca 0.00 -0.96 -0.11 0.00 0.00 0.00 0.00 60.65 59.58 2qan s ILE 6 Cb 0.00 -1.85 -0.08 0.00 0.01 0.00 0.00 42.46 40.55 2qan s ILE 6 CO 0.00 0.55 0.58 -0.13 0.00 0.00 0.00 174.94 175.94 2qan s ARG 7 N 0.91 3.85 -0.29 2.79 0.52 0.39 -0.79 118.95 126.34 2qan s ARG 7 Ca -0.04 0.36 -0.00 0.00 -0.52 0.00 0.00 55.73 55.52 2qan s ARG 7 Cb -0.15 -2.63 0.09 0.00 0.52 0.00 0.00 34.95 32.78 2qan s ARG 7 CO -0.04 0.30 0.07 0.42 0.02 0.00 0.00 175.30 176.06 2qan s ILE 8 N -1.83 1.07 -0.77 1.52 1.09 -1.19 -0.62 121.20 120.47 2qan s ILE 8 Ca 0.48 -1.38 -0.27 0.00 -1.10 0.00 0.00 60.65 58.38 2qan s ILE 8 Cb -0.11 -1.72 0.03 0.00 -1.06 0.00 0.00 42.46 39.60 2qan s ILE 8 CO 0.20 -0.54 1.30 -0.13 -0.10 0.00 0.00 174.94 175.67 2qan s ARG 9 N 1.54 3.23 -0.23 2.79 1.81 -1.10 -4.34 118.95 122.65 2qan s ARG 9 Ca 0.07 -0.34 -0.16 0.00 -1.72 0.00 0.00 55.73 53.58 2qan s ARG 9 Cb -0.18 -4.31 -0.04 0.00 -0.45 0.00 0.00 34.95 29.98 2qan s ARG 9 CO -0.19 -2.16 0.41 -0.51 -0.68 0.00 0.00 175.30 172.17 2qan s LEU 10 N 5.65 4.10 -0.09 2.53 1.43 -1.06 -1.52 118.68 129.71 2qan s LEU 10 Ca 0.36 0.44 -0.00 0.00 -1.03 0.00 0.00 54.13 53.90 2qan s LEU 10 Cb -0.07 -2.51 0.02 0.00 0.03 0.00 0.00 46.19 43.67 2qan s LEU 10 CO 0.12 -0.14 -0.06 -0.54 0.23 0.00 0.00 176.35 175.96 2qan s LYS 11 N 1.70 1.30 0.11 1.70 1.02 0.13 -1.14 119.74 124.56 2qan s LYS 11 Ca 0.18 -0.18 0.02 0.00 0.02 0.00 0.00 55.97 56.01 2qan s LYS 11 Cb -0.15 -1.38 -0.04 0.00 -0.52 0.00 0.00 37.83 35.73 2qan s LYS 11 CO 0.09 -0.23 -0.07 0.00 -0.92 0.00 0.00 175.35 174.21 2qan s ALA 12 N 1.59 1.08 0.04 5.17 0.00 -0.54 -0.02 121.76 129.08 2qan s ALA 12 Ca 0.02 -1.37 0.02 0.00 0.00 0.00 0.00 51.96 50.63 2qan s ALA 12 Cb -0.13 0.13 -0.25 0.00 0.00 0.00 0.00 23.12 22.87 2qan s ALA 12 CO -0.06 -0.19 0.98 0.74 0.00 0.00 0.00 175.76 177.23 2qan h PHE 13 N 2.97 0.27 -3.70 0.00 0.05 -1.80 0.27 116.94 114.99 2qan h PHE 13 Ca -0.36 -0.19 -0.65 0.00 3.82 0.00 0.00 57.97 60.59 2qan h PHE 13 Cb 1.17 -0.01 -0.32 0.00 2.00 0.00 0.00 35.95 38.79 2qan h PHE 13 CO 0.60 1.21 -0.87 0.16 -0.18 0.00 0.00 178.31 179.23 2qan s ASP 14 N -6.80 2.79 0.37 2.17 1.47 -1.26 -4.46 116.67 110.95 2qan s ASP 14 Ca -0.05 -0.48 0.08 0.00 1.18 0.00 0.00 52.55 53.28 2qan s ASP 14 Cb 0.08 -0.99 0.79 0.00 -0.34 0.00 0.00 42.92 42.46 2qan s ASP 14 CO 0.84 0.18 1.93 1.12 0.68 0.00 0.00 175.17 179.92 2qan h HIS 15 N 6.41 0.76 -0.75 2.11 2.07 -1.91 -1.53 115.15 122.31 2qan h HIS 15 Ca -0.27 0.02 0.09 0.00 -2.85 0.00 0.00 60.37 57.36 2qan h HIS 15 Cb 1.20 -0.24 -0.07 0.00 2.57 0.00 0.00 27.41 30.86 2qan h HIS 15 CO 0.45 0.35 0.40 -0.09 -3.07 0.00 0.00 177.93 175.97 2qan h ARG 16 N 0.71 0.66 0.38 5.12 2.43 -2.00 -1.55 114.38 120.11 2qan h ARG 16 Ca 0.36 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.47 2qan h ARG 16 Cb 0.46 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.87 2qan h ARG 16 CO -0.14 0.43 -0.18 1.25 -1.51 0.00 0.00 179.97 179.83 2qan h LEU 17 N 0.68 -0.43 -0.80 3.80 6.46 -1.74 -3.29 115.31 119.98 2qan h LEU 17 Ca 0.36 0.01 0.16 0.00 -0.12 0.00 0.00 57.88 58.30 2qan h LEU 17 Cb 0.35 0.11 -0.15 0.00 -0.73 0.00 0.00 40.66 40.24 2qan h LEU 17 CO -0.25 -0.03 -0.22 -0.29 -0.62 0.00 0.00 178.44 177.04 2qan h ILE 18 N -1.07 0.18 -0.82 4.05 6.09 -1.28 0.51 117.51 125.17 2qan h ILE 18 Ca -0.05 0.00 0.16 0.00 -1.37 0.00 0.00 64.86 63.59 2qan h ILE 18 Cb 0.39 0.18 -0.10 0.00 0.47 0.00 0.00 36.82 37.76 2qan h ILE 18 CO 0.08 0.00 0.39 0.44 -3.07 0.00 0.00 178.15 175.99 2qan h ASP 19 N -0.01 0.42 0.13 2.19 3.45 -1.41 -0.34 116.42 120.85 2qan h ASP 19 Ca 0.38 0.11 -0.01 0.00 0.43 0.00 0.00 57.03 57.94 2qan h ASP 19 Cb 0.59 0.05 0.00 0.00 -0.56 0.00 0.00 39.33 39.41 2qan h ASP 19 CO -0.83 0.15 -0.06 1.56 -1.57 0.00 0.00 179.24 178.49 2qan h GLN 20 N 0.53 -0.17 -0.99 3.56 4.20 -0.97 0.29 115.11 121.56 2qan h GLN 20 Ca 0.46 0.01 0.07 0.00 0.06 0.00 0.00 58.65 59.26 2qan h GLN 20 Cb 0.70 0.04 -0.07 0.00 0.30 0.00 0.00 27.48 28.45 2qan h GLN 20 CO -0.40 -0.08 0.64 0.00 -0.67 0.00 0.00 178.83 178.32 2qan h ALA 21 N 0.65 1.43 0.62 3.87 0.00 -1.03 0.23 119.26 125.03 2qan h ALA 21 Ca -0.02 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 2qan h ALA 21 Cb 0.17 -0.29 0.01 0.00 0.00 0.00 0.00 17.79 17.67 2qan h ALA 21 CO 0.03 0.40 -0.30 1.15 0.00 0.00 0.00 179.25 180.53 2qan h THR 22 N 1.14 0.03 0.00 0.00 2.02 -0.71 -0.97 112.91 114.41 2qan h THR 22 Ca 0.44 -0.39 0.00 0.00 0.77 0.00 0.00 66.41 67.23 2qan h THR 22 Cb 0.22 0.04 0.00 0.00 -1.74 0.00 0.00 68.15 66.67 2qan h THR 22 CO -0.18 0.01 0.24 0.00 0.37 0.00 0.00 175.52 175.95 2qan h ALA 23 N -1.19 1.21 0.00 6.16 0.00 -0.22 -1.06 119.26 124.16 2qan h ALA 23 Ca -0.09 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 2qan h ALA 23 Cb 0.65 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 2qan h ALA 23 CO 0.14 -0.21 -0.46 1.49 0.00 0.00 0.00 179.25 180.21 2qan h GLU 24 N 0.00 0.00 -0.80 0.00 4.81 -0.74 -2.27 114.58 115.59 2qan h GLU 24 Ca 0.00 0.00 0.10 0.00 -0.13 0.00 0.00 59.36 59.33 2qan h GLU 24 Cb 0.48 0.00 -0.08 0.00 0.63 0.00 0.00 28.75 29.78 2qan h GLU 24 CO 0.00 0.52 0.43 0.82 -0.73 0.00 0.00 179.01 180.05 2qan h ILE 25 N -1.00 0.86 -0.16 2.32 2.04 -0.31 -1.97 117.51 119.29 2qan h ILE 25 Ca -0.09 -0.24 -0.08 0.00 1.00 0.00 0.00 64.86 65.44 2qan h ILE 25 Cb 0.72 0.09 -0.00 0.00 -0.74 0.00 0.00 36.82 36.89 2qan h ILE 25 CO -0.06 0.13 -0.22 0.58 0.00 0.00 0.00 178.15 178.58 2qan h VAL 26 N 0.71 1.35 0.09 1.67 2.07 -1.39 -1.96 116.25 118.79 2qan h VAL 26 Ca 0.39 -1.43 0.02 0.00 0.82 0.00 0.00 66.70 66.51 2qan h VAL 26 Cb 0.41 1.90 -0.05 0.00 -1.52 0.00 0.00 31.29 32.03 2qan h VAL 26 CO -0.27 0.43 -0.48 -0.08 0.02 0.00 0.00 177.57 177.18 2qan h GLU 27 N 0.06 -0.67 -0.45 1.57 4.81 -0.79 0.09 114.58 119.21 2qan h GLU 27 Ca 0.02 0.05 -0.06 0.00 -0.13 0.00 0.00 59.36 59.23 2qan h GLU 27 Cb 0.78 0.15 -0.02 0.00 0.63 0.00 0.00 28.75 30.30 2qan h GLU 27 CO 0.05 -0.44 0.03 1.79 -0.73 0.00 0.00 179.01 179.71 2qan h THR 28 N -0.69 1.25 0.00 0.32 1.35 -1.48 -2.91 112.91 110.76 2qan h THR 28 Ca 0.01 -0.98 -0.00 0.00 -0.55 0.00 0.00 66.41 64.90 2qan h THR 28 Cb 0.72 1.01 -0.00 0.00 -1.73 0.00 0.00 68.15 68.15 2qan h THR 28 CO -0.29 0.34 -0.01 0.00 -0.25 0.00 0.00 175.52 175.31 2qan h ALA 29 N 0.92 1.51 0.00 6.62 0.00 -1.06 -1.92 119.26 125.32 2qan h ALA 29 Ca 0.13 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 2qan h ALA 29 Cb 0.44 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 2qan h ALA 29 CO 0.02 0.01 -0.22 0.87 0.00 0.00 0.00 179.25 179.93 2qan h LYS 30 N 0.00 0.00 -0.72 0.00 1.57 -0.76 -3.04 116.57 113.62 2qan h LYS 30 Ca -0.00 0.00 -0.39 0.00 -1.87 0.00 0.00 60.65 58.39 2qan h LYS 30 Cb 0.02 0.00 -0.23 0.00 0.08 0.00 0.00 32.23 32.11 2qan h LYS 30 CO 0.00 0.22 0.31 0.54 -0.57 0.00 0.00 179.45 179.95 2qan n ARG 31 N -3.48 2.14 -0.40 3.15 1.74 -0.72 -4.29 116.66 114.80 2qan n ARG 31 Ca -0.00 -3.15 0.02 0.00 -0.77 0.00 0.00 57.85 53.95 2qan n ARG 31 Cb 0.39 -2.04 0.03 0.00 -1.02 0.00 0.00 32.46 29.82 2qan n ARG 31 CO 0.00 0.00 0.00 -2.37 -1.52 0.00 0.00 177.63 173.74 2qan n THR 32 N -1.11 0.43 0.00 0.55 5.66 -1.15 -5.06 114.28 113.60 2qan n THR 32 Ca 0.48 -0.51 0.00 0.00 -3.05 0.00 0.00 64.05 60.97 2qan n THR 32 Cb 1.31 0.34 0.00 0.00 -1.55 0.00 0.00 70.33 70.43 2qan n THR 32 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2qan n GLY 33 N -0.32 2.34 2.75 1.09 0.00 -1.26 -4.40 105.19 105.39 2qan n GLY 33 Ca 0.04 -0.68 -0.37 0.00 0.00 0.00 0.00 46.02 45.00 2qan n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qan n ALA 34 N 0.00 -2.62 0.09 4.61 0.00 -1.21 -4.88 120.51 116.49 2qan n ALA 34 Ca 0.00 0.23 0.10 0.00 0.00 0.00 0.00 53.44 53.77 2qan n ALA 34 Cb 0.00 -1.27 -0.02 0.00 0.00 0.00 0.00 19.45 18.16 2qan n ALA 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qan n GLN 35 N 0.96 0.61 -1.29 0.00 10.64 -1.22 -4.50 117.38 122.57 2qan n GLN 35 Ca 0.12 0.11 0.00 0.00 -1.83 0.00 0.00 57.00 55.40 2qan n GLN 35 Cb 0.26 -1.81 0.00 0.00 -0.86 0.00 0.00 30.24 27.84 2qan n GLN 35 CO 0.00 0.00 0.00 0.28 -1.83 0.00 0.00 177.06 175.51 2qan n VAL 36 N -2.67 -3.81 -0.04 -0.39 0.31 -1.25 -4.81 118.33 105.66 2qan n VAL 36 Ca -0.01 1.71 -0.13 0.00 -0.01 0.00 0.00 64.34 65.89 2qan n VAL 36 Cb 0.58 -2.46 -0.08 0.00 -0.91 0.00 0.00 33.84 30.97 2qan n VAL 36 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 2qan h ARG 37 N 0.95 0.26 0.00 5.55 9.65 -1.10 -3.42 114.38 126.26 2qan h ARG 37 Ca 0.00 -0.14 0.00 0.00 -1.10 0.00 0.00 59.98 58.74 2qan h ARG 37 Cb 0.26 0.01 0.00 0.00 -1.39 0.00 0.00 29.97 28.84 2qan h ARG 37 CO 0.00 0.67 0.00 0.41 2.80 0.00 0.00 179.97 183.85 2qan n GLY 38 N 0.22 4.60 3.57 2.80 0.00 -1.19 -5.00 105.19 110.20 2qan n GLY 38 Ca -0.07 -1.27 -0.30 0.00 0.00 0.00 0.00 46.02 44.38 2qan n GLY 38 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2qan s PRO 39 N -3.96 2.75 0.19 1.61 0.04 -1.26 -3.32 135.00 131.05 2qan s PRO 39 Ca 0.00 -1.01 -0.29 0.00 0.04 0.00 0.00 61.00 59.74 2qan s PRO 39 Cb 0.00 -5.23 -0.08 0.00 0.04 0.00 0.00 34.50 29.23 2qan s PRO 39 CO 0.00 -3.51 0.90 0.42 0.04 0.00 0.00 177.00 174.86 2qan s ILE 40 N 9.61 4.25 -0.08 0.56 1.01 -1.26 -4.89 121.20 130.39 2qan s ILE 40 Ca 0.66 1.99 -0.09 0.00 0.00 0.00 0.00 60.65 63.21 2qan s ILE 40 Cb -0.02 -4.28 -0.06 0.00 0.01 0.00 0.00 42.46 38.11 2qan s ILE 40 CO 0.07 0.46 0.32 1.55 0.00 0.00 0.00 174.94 177.35 2qan h PRO 41 N 4.54 -0.17 -1.02 2.79 0.13 -1.93 0.20 132.00 136.54 2qan h PRO 41 Ca -0.45 0.01 0.04 0.00 -0.87 0.00 0.00 66.00 64.73 2qan h PRO 41 Cb 1.20 0.04 -0.02 0.00 0.13 0.00 0.00 31.00 32.35 2qan h PRO 41 CO 0.68 0.00 -0.30 1.28 -0.23 0.00 0.00 178.00 179.43 2qan n LEU 42 N -4.88 -0.40 -4.73 1.56 4.32 -1.26 -3.94 117.00 107.66 2qan n LEU 42 Ca -0.03 0.75 -0.39 0.00 -0.02 0.00 0.00 56.01 56.32 2qan n LEU 42 Cb 0.12 -0.41 0.04 0.00 -1.62 0.00 0.00 43.42 41.56 2qan n LEU 42 CO 0.10 -0.36 0.93 -0.81 -1.22 0.00 0.00 177.39 176.02 2qan n PRO 43 N -2.12 1.62 -3.58 3.23 -0.04 -1.26 -4.82 135.00 128.02 2qan n PRO 43 Ca -0.01 0.60 -0.40 0.00 -0.04 0.00 0.00 63.50 63.64 2qan n PRO 43 Cb 0.16 -2.52 -0.11 0.00 -0.04 0.00 0.00 33.50 30.99 2qan n PRO 43 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2qan s THR 44 N -1.30 4.83 -0.18 0.52 2.01 -1.26 -4.81 115.64 115.44 2qan s THR 44 Ca 0.71 -0.54 -0.29 0.00 0.31 0.00 0.00 61.69 61.88 2qan s THR 44 Cb -0.42 -3.57 -0.00 0.00 0.01 0.00 0.00 72.50 68.51 2qan s THR 44 CO 0.49 -0.09 1.15 -0.13 -0.69 0.00 0.00 174.62 175.35 2qan s ARG 45 N 1.63 4.26 -0.32 4.92 1.81 -1.25 -4.89 118.95 125.11 2qan s ARG 45 Ca 0.04 1.52 0.04 0.00 -1.72 0.00 0.00 55.73 55.61 2qan s ARG 45 Cb -0.18 -3.69 0.09 0.00 -0.45 0.00 0.00 34.95 30.73 2qan s ARG 45 CO 0.08 -0.63 0.01 -1.59 -0.68 0.00 0.00 175.30 172.49 2qan s LYS 46 N 3.20 1.64 -0.05 3.54 -2.85 -1.26 -2.10 119.74 121.85 2qan s LYS 46 Ca 0.50 -1.74 -0.30 0.00 -1.00 0.00 0.00 55.97 53.43 2qan s LYS 46 Cb -0.19 -3.12 -0.03 0.00 -2.06 0.00 0.00 37.83 32.43 2qan s LYS 46 CO 0.12 -0.86 1.22 -1.21 0.10 0.00 0.00 175.35 174.72 2qan s GLU 47 N 0.96 4.34 0.34 1.78 8.01 -1.06 -4.82 118.70 128.25 2qan s GLU 47 Ca 0.06 1.70 0.02 0.00 0.01 0.00 0.00 54.97 56.76 2qan s GLU 47 Cb -0.19 -3.56 -0.03 0.00 -4.31 0.00 0.00 34.13 26.04 2qan s GLU 47 CO -0.08 -0.47 0.52 1.03 0.01 0.00 0.00 175.26 176.28 2qan s ARG 48 N 2.27 3.39 -0.25 1.61 0.52 -1.26 -0.99 118.95 124.24 2qan s ARG 48 Ca 0.56 -0.51 -0.03 0.00 -0.52 0.00 0.00 55.73 55.24 2qan s ARG 48 Cb -0.25 -2.71 0.10 0.00 0.52 0.00 0.00 34.95 32.61 2qan s ARG 48 CO 0.22 0.15 0.21 -0.06 0.02 0.00 0.00 175.30 175.84 2qan s PHE 49 N -2.26 -0.15 -0.13 -0.53 0.40 0.13 -4.93 117.98 110.50 2qan s PHE 49 Ca 0.40 -0.20 -0.11 0.00 -0.60 0.00 0.00 56.93 56.42 2qan s PHE 49 Cb -0.09 -0.55 -0.05 0.00 0.51 0.00 0.00 43.02 42.84 2qan s PHE 49 CO 0.34 -0.74 0.22 0.99 0.70 0.00 0.00 175.22 176.73 2qan s THR 50 N 2.27 5.36 -0.22 0.64 2.01 -1.26 0.07 115.64 124.52 2qan s THR 50 Ca 0.08 0.39 -0.23 0.00 0.31 0.00 0.00 61.69 62.24 2qan s THR 50 Cb -0.15 -3.53 0.06 0.00 0.01 0.00 0.00 72.50 68.89 2qan s THR 50 CO -0.24 0.51 0.63 0.54 -0.69 0.00 0.00 174.62 175.36 2qan s VAL 51 N -0.27 0.00 0.20 3.82 0.11 0.79 -4.93 120.40 120.13 2qan s VAL 51 Ca 0.15 -0.01 -0.32 0.00 -2.93 0.00 0.00 61.98 58.86 2qan s VAL 51 Cb -0.13 -0.88 -0.13 0.00 -1.53 0.00 0.00 36.38 33.71 2qan s VAL 51 CO 0.04 -0.01 1.67 0.18 -3.33 0.00 0.00 175.10 173.65 2qan n LEU 52 N 2.54 3.74 -0.08 2.54 4.77 -1.26 0.15 117.00 129.40 2qan n LEU 52 Ca -0.14 1.08 -0.16 0.00 -0.03 0.00 0.00 56.01 56.76 2qan n LEU 52 Cb 0.56 -1.53 -0.10 0.00 -2.33 0.00 0.00 43.42 40.02 2qan n LEU 52 CO 0.08 0.03 -0.14 -0.29 -1.33 0.00 0.00 177.39 175.74 2qan h ILE 53 N 3.69 1.06 -3.64 -0.08 2.10 -1.88 -3.45 117.51 115.31 2qan h ILE 53 Ca -0.44 -2.02 -0.51 0.00 1.08 0.00 0.00 64.86 62.97 2qan h ILE 53 Cb 1.22 2.23 -0.02 0.00 -1.09 0.00 0.00 36.82 39.16 2qan h ILE 53 CO 0.92 0.36 0.36 -0.55 -1.08 0.00 0.00 178.15 178.16 2qan s SER 54 N -6.41 7.55 0.16 2.19 0.15 -1.26 -5.01 113.70 111.07 2qan s SER 54 Ca -0.22 1.87 -0.30 0.00 0.70 0.00 0.00 55.95 58.00 2qan s SER 54 Cb 0.02 -2.60 -0.07 0.00 -1.71 0.00 0.00 66.02 61.66 2qan s SER 54 CO 0.54 0.02 0.96 -2.16 1.20 0.00 0.00 173.24 173.80 2qan s PRO 55 N -0.50 4.75 0.26 5.44 0.04 -1.26 -4.74 135.00 138.99 2qan s PRO 55 Ca 0.45 1.47 0.00 0.00 0.04 0.00 0.00 61.00 62.96 2qan s PRO 55 Cb -0.25 -3.34 0.00 0.00 0.04 0.00 0.00 34.50 30.95 2qan s PRO 55 CO 0.31 0.32 0.00 1.58 0.04 0.00 0.00 177.00 179.25 2qan n HIS 56 N 2.33 -4.13 -1.63 0.56 -0.00 -1.26 -4.93 115.22 106.16 2qan n HIS 56 Ca 0.01 2.29 0.02 0.00 -0.00 0.00 0.00 57.72 60.04 2qan n HIS 56 Cb 0.48 -3.39 -0.01 0.00 -0.00 0.00 0.00 29.99 27.08 2qan n HIS 56 CO 0.00 0.00 0.00 1.55 -0.00 0.00 0.00 176.34 177.89 2qan n VAL 57 N 0.86 0.00 -2.65 3.57 3.14 -1.26 -4.95 118.33 117.04 2qan n VAL 57 Ca 0.00 0.00 -0.10 0.00 -2.96 0.00 0.00 64.34 61.28 2qan n VAL 57 Cb 0.00 -0.05 0.05 0.00 -1.06 0.00 0.00 33.84 32.77 2qan n VAL 57 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 2qan n ASN 58 N -3.82 -4.16 -0.05 6.55 3.02 -1.26 -4.84 115.26 110.70 2qan n ASN 58 Ca 0.00 -0.42 -0.02 0.00 -0.03 0.00 0.00 54.58 54.11 2qan n ASN 58 Cb 0.07 -3.38 0.24 0.00 -0.61 0.00 0.00 39.78 36.11 2qan n ASN 58 CO 0.00 0.00 0.00 0.07 -2.62 0.00 0.00 177.26 174.71 2qan h LYS 59 N -0.79 0.64 -0.37 3.52 2.10 -1.94 -2.59 116.57 117.15 2qan h LYS 59 Ca -0.37 -0.15 0.00 0.00 -2.00 0.00 0.00 60.65 58.13 2qan h LYS 59 Cb 1.19 -0.09 0.00 0.00 -0.90 0.00 0.00 32.23 32.44 2qan h LYS 59 CO 0.28 0.65 0.00 -0.25 -2.00 0.00 0.00 179.45 178.13 2qan n ASP 60 N -4.26 0.37 0.00 7.07 9.92 -1.26 -3.94 116.55 124.45 2qan n ASP 60 Ca 0.02 -0.94 0.00 0.00 -0.53 0.00 0.00 54.79 53.34 2qan n ASP 60 Cb 0.26 -0.18 0.00 0.00 -0.64 0.00 0.00 41.12 40.55 2qan n ASP 60 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2qan n ALA 61 N 0.09 0.00 -1.37 2.24 0.00 -0.98 -5.10 120.51 115.40 2qan n ALA 61 Ca 0.00 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.61 2qan n ALA 61 Cb 0.09 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.47 2qan n ALA 61 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2qan n ARG 62 N -0.19 -2.87 -3.65 0.00 5.12 -1.25 -4.82 116.66 109.00 2qan n ARG 62 Ca 0.00 2.19 -0.14 0.00 -1.93 0.00 0.00 57.85 57.97 2qan n ARG 62 Cb 0.00 -3.47 -0.08 0.00 -1.16 0.00 0.00 32.46 27.75 2qan n ARG 62 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 2qan s ASP 63 N -6.85 -0.65 -0.12 0.55 2.15 0.41 -4.32 116.67 107.84 2qan s ASP 63 Ca 0.00 1.19 -0.00 0.00 0.43 0.00 0.00 52.55 54.16 2qan s ASP 63 Cb 0.00 1.19 -0.02 0.00 -0.30 0.00 0.00 42.92 43.79 2qan s ASP 63 CO 0.00 -0.27 -0.12 -1.10 -0.17 0.00 0.00 175.17 173.51 2qan s GLN 64 N 0.13 3.33 0.38 4.34 -0.21 -1.26 -0.15 119.66 126.23 2qan s GLN 64 Ca -0.01 -0.67 0.05 0.00 0.02 0.00 0.00 55.36 54.75 2qan s GLN 64 Cb -0.04 -2.64 -0.06 0.00 1.00 0.00 0.00 33.01 31.27 2qan s GLN 64 CO 0.02 0.26 0.04 0.71 -2.12 0.00 0.00 175.29 174.20 2qan s TYR 65 N 0.24 2.18 0.13 0.91 4.12 0.11 -4.95 117.35 120.09 2qan s TYR 65 Ca -0.08 -0.86 -0.21 0.00 0.02 0.00 0.00 57.07 55.95 2qan s TYR 65 Cb -0.15 -1.51 0.06 0.00 -1.52 0.00 0.00 41.96 38.83 2qan s TYR 65 CO 0.05 0.19 0.52 -1.83 0.02 0.00 0.00 175.55 174.50 2qan s GLU 66 N -3.80 1.17 -0.27 -0.62 -1.05 -1.26 0.17 118.70 113.03 2qan s GLU 66 Ca 0.33 -0.52 -0.01 0.00 -0.15 0.00 0.00 54.97 54.62 2qan s GLU 66 Cb 0.08 0.53 0.09 0.00 -0.44 0.00 0.00 34.13 34.39 2qan s GLU 66 CO 0.16 -0.48 0.07 0.42 0.95 0.00 0.00 175.26 176.38 2qan s ILE 67 N -3.58 0.79 -0.64 1.83 1.01 -0.16 -5.00 121.20 115.45 2qan s ILE 67 Ca 0.01 -1.14 -0.24 0.00 0.00 0.00 0.00 60.65 59.28 2qan s ILE 67 Cb 0.00 -1.48 0.05 0.00 0.01 0.00 0.00 42.46 41.04 2qan s ILE 67 CO -0.11 -0.52 1.02 -0.13 0.00 0.00 0.00 174.94 175.20 2qan s ARG 68 N 1.69 3.20 -0.83 2.79 0.52 -1.26 -2.56 118.95 122.49 2qan s ARG 68 Ca 0.06 -0.53 -0.21 0.00 -0.52 0.00 0.00 55.73 54.52 2qan s ARG 68 Cb -0.17 -4.16 0.09 0.00 0.52 0.00 0.00 34.95 31.23 2qan s ARG 68 CO -0.20 -1.77 1.12 0.99 0.02 0.00 0.00 175.30 175.46 2qan s THR 69 N 4.34 4.40 0.72 0.02 2.01 -0.89 -4.50 115.64 121.73 2qan s THR 69 Ca 0.27 -0.90 -0.11 0.00 0.31 0.00 0.00 61.69 61.26 2qan s THR 69 Cb -0.14 -4.80 0.02 0.00 0.01 0.00 0.00 72.50 67.60 2qan s THR 69 CO 0.14 -1.58 1.07 -1.00 -0.69 0.00 0.00 174.62 172.57 2qan s HIS 70 N 3.71 2.86 0.20 4.92 3.76 0.94 -3.80 115.29 127.88 2qan s HIS 70 Ca 0.31 1.49 -0.18 0.00 -0.15 0.00 0.00 55.06 56.53 2qan s HIS 70 Cb -0.09 -2.97 0.03 0.00 1.11 0.00 0.00 32.58 30.66 2qan s HIS 70 CO -0.01 -1.47 0.55 -0.48 -0.85 0.00 0.00 174.74 172.48 2qan s LEU 71 N -5.59 -0.02 0.06 0.89 2.34 -1.26 -1.47 118.68 113.64 2qan s LEU 71 Ca 0.60 -0.47 -0.03 0.00 0.06 0.00 0.00 54.13 54.29 2qan s LEU 71 Cb -0.16 2.24 -0.03 0.00 -0.56 0.00 0.00 46.19 47.69 2qan s LEU 71 CO 0.53 -1.09 0.02 -0.13 -1.06 0.00 0.00 176.35 174.63 2qan s ARG 72 N -3.87 0.64 -0.24 1.48 1.81 -0.29 -4.57 118.95 113.90 2qan s ARG 72 Ca 0.09 -1.11 -0.16 0.00 -1.72 0.00 0.00 55.73 52.84 2qan s ARG 72 Cb -0.02 0.23 -0.11 0.00 -0.45 0.00 0.00 34.95 34.61 2qan s ARG 72 CO -0.02 -0.14 -0.30 -0.11 -0.68 0.00 0.00 175.30 174.05 2qan n LEU 73 N 0.18 1.94 0.00 2.53 -0.00 0.06 -2.56 117.00 119.15 2qan n LEU 73 Ca -0.15 0.36 0.00 0.00 -0.00 0.00 0.00 56.01 56.22 2qan n LEU 73 Cb 0.61 -0.82 0.00 0.00 -0.00 0.00 0.00 43.42 43.21 2qan n LEU 73 CO 0.26 0.30 0.00 0.52 -0.00 0.00 0.00 177.39 178.47 2qan n VAL 74 N -4.33 0.00 -2.50 1.96 0.31 -1.21 -3.19 118.33 109.37 2qan n VAL 74 Ca -0.41 0.00 -0.03 0.00 -0.01 0.00 0.00 64.34 63.89 2qan n VAL 74 Cb 0.75 0.00 -0.02 0.00 -0.91 0.00 0.00 33.84 33.66 2qan n VAL 74 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 2qan n ASP 75 N 6.54 -4.53 -4.63 4.52 4.64 -1.26 -3.15 116.55 118.67 2qan n ASP 75 Ca 0.00 1.56 -0.40 0.00 -1.38 0.00 0.00 54.79 54.57 2qan n ASP 75 Cb 0.00 -5.01 -0.07 0.00 -1.04 0.00 0.00 41.12 35.00 2qan n ASP 75 CO 0.00 0.00 0.00 0.27 -0.82 0.00 0.00 177.20 176.65 2qan s ILE 76 N -0.59 5.04 0.50 5.18 -5.25 0.03 -0.83 121.20 125.28 2qan s ILE 76 Ca -0.15 1.00 -0.11 0.00 -0.99 0.00 0.00 60.65 60.41 2qan s ILE 76 Cb 0.01 -3.88 -0.05 0.00 2.95 0.00 0.00 42.46 41.49 2qan s ILE 76 CO 0.40 0.08 0.89 -0.69 -1.79 0.00 0.00 174.94 173.83 2qan s VAL 77 N 2.24 4.74 -0.83 8.37 1.01 -1.26 0.20 120.40 134.87 2qan s VAL 77 Ca 0.24 0.71 -0.02 0.00 0.00 0.00 0.00 61.98 62.91 2qan s VAL 77 Cb -0.16 -3.80 0.00 0.00 0.00 0.00 0.00 36.38 32.43 2qan s VAL 77 CO 0.09 -0.80 0.64 -0.62 0.00 0.00 0.00 175.10 174.41 2qan n GLU 78 N -1.96 -1.42 -0.67 2.72 4.71 -1.26 -3.46 120.64 119.29 2qan n GLU 78 Ca 0.04 0.92 -0.29 0.00 -0.01 0.00 0.00 57.16 57.81 2qan n GLU 78 Cb 0.54 -3.30 0.25 0.00 -1.01 0.00 0.00 31.44 27.92 2qan n GLU 78 CO 0.00 0.00 0.00 -1.25 0.09 0.00 0.00 177.13 175.97 2qan s PRO 79 N -4.57 -1.41 0.04 3.49 0.04 -1.26 -3.33 135.00 128.01 2qan s PRO 79 Ca 0.04 0.43 -0.01 0.00 0.04 0.00 0.00 61.00 61.50 2qan s PRO 79 Cb -0.02 -1.53 -0.03 0.00 0.04 0.00 0.00 34.50 32.96 2qan s PRO 79 CO 0.86 -3.94 -0.02 0.99 0.04 0.00 0.00 177.00 174.93 2qan s THR 80 N -2.56 0.19 0.11 1.26 2.01 -1.26 -4.76 115.64 110.62 2qan s THR 80 Ca 0.68 -1.54 -0.24 0.00 0.31 0.00 0.00 61.69 60.91 2qan s THR 80 Cb -0.18 -1.17 -0.09 0.00 0.01 0.00 0.00 72.50 71.06 2qan s THR 80 CO 0.60 -0.85 1.69 -0.08 -0.69 0.00 0.00 174.62 175.30 2qan h GLU 81 N 3.54 -0.19 -0.21 4.92 4.22 -1.97 -2.73 114.58 122.15 2qan h GLU 81 Ca -0.33 0.01 -0.16 0.00 0.08 0.00 0.00 59.36 58.96 2qan h GLU 81 Cb 1.16 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.45 2qan h GLU 81 CO 0.59 -0.13 -0.52 1.57 -2.18 0.00 0.00 179.01 178.34 2qan h LYS 82 N -0.20 0.61 -0.49 1.92 2.10 -1.97 -3.30 116.57 115.23 2qan h LYS 82 Ca 0.04 -0.37 0.10 0.00 -2.00 0.00 0.00 60.65 58.42 2qan h LYS 82 Cb 0.25 0.04 -0.10 0.00 -0.90 0.00 0.00 32.23 31.51 2qan h LYS 82 CO -0.10 0.98 -0.23 1.15 -2.00 0.00 0.00 179.45 179.24 2qan h THR 83 N 0.47 0.33 -0.12 0.07 2.02 -1.70 0.25 112.91 114.24 2qan h THR 83 Ca 0.02 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.23 2qan h THR 83 Cb 1.07 0.33 -0.06 0.00 -1.74 0.00 0.00 68.15 67.74 2qan h THR 83 CO 0.10 0.00 -0.50 0.58 0.37 0.00 0.00 175.52 176.07 2qan h VAL 84 N -0.12 0.05 0.00 3.16 2.07 -1.59 -0.49 116.25 119.33 2qan h VAL 84 Ca 0.23 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.69 2qan h VAL 84 Cb 0.48 0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.29 2qan h VAL 84 CO -0.57 0.00 -0.26 -2.24 0.02 0.00 0.00 177.57 174.53 2qan h ASP 85 N -0.57 0.00 0.00 0.57 2.03 -1.64 -2.36 116.42 114.45 2qan h ASP 85 Ca 0.05 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.35 2qan h ASP 85 Cb 0.67 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.17 2qan h ASP 85 CO -0.41 0.26 0.09 0.00 -1.03 0.00 0.00 179.24 178.14 2qan n ALA 86 N -2.43 0.92 0.02 4.15 0.00 0.85 -0.45 120.51 123.57 2qan n ALA 86 Ca -0.02 0.18 -0.09 0.00 0.00 0.00 0.00 53.44 53.51 2qan n ALA 86 Cb 0.32 -1.17 -0.13 0.00 0.00 0.00 0.00 19.45 18.47 2qan n ALA 86 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2qan h LEU 87 N 0.00 0.04 -1.42 0.00 -0.00 -1.23 -3.27 115.31 109.42 2qan h LEU 87 Ca 0.00 -0.05 -0.06 0.00 -0.00 0.00 0.00 57.88 57.77 2qan h LEU 87 Cb 0.17 -0.01 -0.01 0.00 -0.00 0.00 0.00 40.66 40.81 2qan h LEU 87 CO 0.00 1.05 -0.23 0.24 -0.00 0.00 0.00 178.44 179.50 2qan h MET 88 N 0.01 0.09 0.00 1.13 2.86 -0.90 -0.05 114.93 118.06 2qan h MET 88 Ca -0.17 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.45 2qan h MET 88 Cb 1.91 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 33.56 2qan h MET 88 CO 0.11 0.32 0.00 0.54 1.06 0.00 0.00 176.91 178.94 2qan n ARG 89 N -4.23 0.81 -3.16 1.72 3.00 -1.16 -4.41 116.66 109.23 2qan n ARG 89 Ca -0.02 0.00 0.03 0.00 -0.01 0.00 0.00 57.85 57.86 2qan n ARG 89 Cb 0.31 -1.29 -0.00 0.00 0.00 0.00 0.00 32.46 31.47 2qan n ARG 89 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.63 176.46 2qan s LEU 90 N -1.58 -1.50 -0.39 0.55 0.20 -0.03 -5.10 118.68 110.83 2qan s LEU 90 Ca 0.23 -0.07 0.02 0.00 0.69 0.00 0.00 54.13 54.99 2qan s LEU 90 Cb 0.10 1.93 0.19 0.00 -0.43 0.00 0.00 46.19 47.98 2qan s LEU 90 CO 0.17 -0.25 0.80 1.51 -0.29 0.00 0.00 176.35 178.30 2qan s ASP 91 N 2.57 -1.08 0.00 3.68 3.84 -1.24 -4.78 116.67 119.66 2qan s ASP 91 Ca 0.13 -0.70 0.00 0.00 -0.00 0.00 0.00 52.55 51.98 2qan s ASP 91 Cb -0.08 1.39 0.00 0.00 -1.38 0.00 0.00 42.92 42.85 2qan s ASP 91 CO -0.21 -0.10 0.00 0.00 -0.00 0.00 0.00 175.17 174.86 2qan n LEU 92 N 3.87 0.00 -2.19 2.11 -0.00 -1.26 -5.09 117.00 114.44 2qan n LEU 92 Ca 0.10 0.00 -0.02 0.00 -0.00 0.00 0.00 56.01 56.10 2qan n LEU 92 Cb 0.59 0.00 -0.01 0.00 -0.00 0.00 0.00 43.42 44.00 2qan n LEU 92 CO -0.04 0.00 -0.45 0.00 -0.00 0.00 0.00 177.39 176.90 2qan n ALA 93 N -3.00 -2.66 0.13 1.47 0.00 -1.26 -4.83 120.51 110.35 2qan n ALA 93 Ca 0.00 0.93 0.00 0.00 0.00 0.00 0.00 53.44 54.37 2qan n ALA 93 Cb 0.00 -2.10 0.07 0.00 0.00 0.00 0.00 19.45 17.42 2qan n ALA 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qan h ALA 94 N 3.42 0.69 0.00 0.00 0.00 -2.03 -3.22 119.26 118.12 2qan h ALA 94 Ca -0.16 -0.57 -0.02 0.00 0.00 0.00 0.00 54.91 54.16 2qan h ALA 94 Cb 0.35 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 2qan h ALA 94 CO 0.00 0.79 -0.09 0.78 0.00 0.00 0.00 179.25 180.73 2qan h GLY 95 N 2.84 0.00 -1.74 0.00 0.00 -1.97 -3.45 103.07 98.75 2qan h GLY 95 Ca -0.01 0.00 -0.45 0.00 0.00 0.00 0.00 47.33 46.88 2qan h GLY 95 CO 0.08 0.00 -0.01 -1.34 0.00 0.00 0.00 176.54 175.27 2qan s VAL 96 N -3.73 2.50 -0.15 4.60 -7.23 -1.22 -3.97 120.40 111.21 2qan s VAL 96 Ca 0.00 -0.68 -0.09 0.00 -1.81 0.00 0.00 61.98 59.41 2qan s VAL 96 Cb 0.10 -2.83 0.05 0.00 0.56 0.00 0.00 36.38 34.26 2qan s VAL 96 CO 0.57 0.00 0.36 -0.62 -0.31 0.00 0.00 175.10 175.11 2qan s ASP 97 N -4.52 -0.43 0.25 4.85 -1.08 0.97 -4.94 116.67 111.77 2qan s ASP 97 Ca 0.60 0.78 0.10 0.00 -0.52 0.00 0.00 52.55 53.50 2qan s ASP 97 Cb -0.09 0.69 -0.04 0.00 -1.46 0.00 0.00 42.92 42.02 2qan s ASP 97 CO 0.40 -0.17 -0.03 0.68 0.52 0.00 0.00 175.17 176.56 2qan s VAL 98 N 1.11 3.35 -0.47 1.11 -7.23 -1.25 0.21 120.40 117.24 2qan s VAL 98 Ca -0.07 -1.89 0.06 0.00 -1.81 0.00 0.00 61.98 58.27 2qan s VAL 98 Cb -0.08 -2.77 0.26 0.00 0.56 0.00 0.00 36.38 34.35 2qan s VAL 98 CO -0.09 -0.33 0.86 1.67 -0.31 0.00 0.00 175.10 176.91 2qan n GLN 99 N -0.70 0.81 -1.92 4.82 7.27 -0.58 -4.90 117.38 122.19 2qan n GLN 99 Ca -0.07 -2.04 -0.42 0.00 0.07 0.00 0.00 57.00 54.54 2qan n GLN 99 Cb 0.58 -1.37 -0.03 0.00 2.41 0.00 0.00 30.24 31.83 2qan n GLN 99 CO 0.00 0.00 0.00 0.96 0.07 0.00 0.00 177.06 178.09 2qan s ILE 100 N 0.25 3.33 0.21 1.69 -4.36 -1.26 -2.72 121.20 118.35 2qan s ILE 100 Ca 0.31 0.51 0.02 0.00 -0.26 0.00 0.00 60.65 61.23 2qan s ILE 100 Cb 0.23 -3.33 -0.01 0.00 1.25 0.00 0.00 42.46 40.61 2qan s ILE 100 CO -0.19 -0.03 0.09 -1.20 0.24 0.00 0.00 174.94 173.84 2qan n SER 101 N 6.82 0.94 -0.48 4.36 7.64 0.20 -4.96 113.62 128.14 2qan n SER 101 Ca 0.17 -2.17 0.14 0.00 1.01 0.00 0.00 58.87 58.03 2qan n SER 101 Cb 0.42 0.59 0.52 0.00 -1.01 0.00 0.00 64.21 64.73 2qan n SER 101 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21