#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qow s LEU 3 N 0.00 4.37 0.00 -3.43 2.96 -1.26 -5.00 118.68 116.32 2qow s LEU 3 Ca 0.00 0.47 -0.30 0.00 -0.22 0.00 0.00 54.13 54.07 2qow s LEU 3 Cb 0.00 -2.66 -0.07 0.00 0.50 0.00 0.00 46.19 43.97 2qow s LEU 3 CO 0.00 0.25 1.62 -0.55 -1.32 0.00 0.00 176.35 176.35 2qow s SER 4 N -1.81 6.67 0.09 3.68 0.15 -1.26 -4.89 113.70 116.33 2qow s SER 4 Ca 0.28 2.32 -0.17 0.00 0.70 0.00 0.00 55.95 59.07 2qow s SER 4 Cb -0.13 -2.55 -0.04 0.00 -1.71 0.00 0.00 66.02 61.59 2qow s SER 4 CO 0.17 -0.88 1.18 0.35 1.20 0.00 0.00 173.24 175.27 2qow n THR 5 N 5.05 -0.38 -0.06 6.45 -2.24 -1.26 -0.56 114.28 121.28 2qow n THR 5 Ca 0.16 1.83 -0.07 0.00 -2.27 0.00 0.00 64.05 63.70 2qow n THR 5 Cb 0.42 -2.31 -0.01 0.00 -2.10 0.00 0.00 70.33 66.33 2qow n THR 5 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 2qow h GLU 6 N 0.00 -0.11 -1.02 -0.78 -0.00 -2.01 -0.16 114.58 110.50 2qow h GLU 6 Ca 0.09 0.01 0.26 0.00 -0.00 0.00 0.00 59.36 59.71 2qow h GLU 6 Cb 0.23 0.02 -0.08 0.00 -0.00 0.00 0.00 28.75 28.92 2qow h GLU 6 CO -0.52 -0.07 0.67 0.00 -0.00 0.00 0.00 179.01 179.08 2qow h ALA 7 N 1.09 2.29 -3.00 1.06 0.00 -1.21 0.88 119.26 120.36 2qow h ALA 7 Ca 0.14 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2qow h ALA 7 Cb 0.32 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2qow h ALA 7 CO -0.33 -0.67 0.00 2.41 0.00 0.00 0.00 179.25 180.66 2qow n THR 8 N -4.57 0.00 -0.32 0.00 -1.04 0.28 -1.03 114.28 107.59 2qow n THR 8 Ca 0.24 0.89 0.16 0.00 -2.04 0.00 0.00 64.05 63.29 2qow n THR 8 Cb 0.87 -1.66 0.40 0.00 -1.82 0.00 0.00 70.33 68.11 2qow n THR 8 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2qow h ALA 9 N -2.10 1.88 -0.58 2.41 0.00 -1.57 -2.20 119.26 117.10 2qow h ALA 9 Ca 0.00 0.06 0.05 0.00 0.00 0.00 0.00 54.91 55.03 2qow h ALA 9 Cb 0.00 -0.05 -0.08 0.00 0.00 0.00 0.00 17.79 17.66 2qow h ALA 9 CO 0.00 -0.24 -0.42 -0.22 0.00 0.00 0.00 179.25 178.37 2qow h LYS 10 N 0.62 -0.09 0.00 0.00 1.63 -0.53 0.35 116.57 118.55 2qow h LYS 10 Ca 0.56 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 60.36 2qow h LYS 10 Cb 1.06 0.02 0.00 0.00 -0.60 0.00 0.00 32.23 32.71 2qow h LYS 10 CO -0.32 -0.06 0.00 -0.84 -3.45 0.00 0.00 179.45 174.78 2qow h ILE 11 N -0.10 0.00 -0.07 2.00 -0.00 -0.45 -2.57 117.51 116.33 2qow h ILE 11 Ca 0.09 -0.24 -0.13 0.00 -0.00 0.00 0.00 64.86 64.59 2qow h ILE 11 Cb 0.34 1.07 -0.01 0.00 -0.00 0.00 0.00 36.82 38.22 2qow h ILE 11 CO -0.59 0.00 -0.53 0.58 -0.00 0.00 0.00 178.15 177.61 2qow h VAL 12 N 0.00 1.36 0.00 0.16 2.07 -0.11 -2.72 116.25 117.02 2qow h VAL 12 Ca 0.00 -1.81 0.00 0.00 0.82 0.00 0.00 66.70 65.71 2qow h VAL 12 Cb 0.28 1.91 0.00 0.00 -1.52 0.00 0.00 31.29 31.96 2qow h VAL 12 CO 0.00 0.53 0.00 -1.20 0.02 0.00 0.00 177.57 176.92 2qow n SER 13 N -3.92 0.67 0.00 0.57 7.64 -0.89 -1.13 113.62 116.56 2qow n SER 13 Ca -0.02 -1.92 0.00 0.00 1.01 0.00 0.00 58.87 57.94 2qow n SER 13 Cb 0.56 -0.33 0.00 0.00 -1.01 0.00 0.00 64.21 63.42 2qow n SER 13 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2qow n GLU 14 N -0.14 0.52 0.00 1.43 1.02 -1.03 -4.89 120.64 117.56 2qow n GLU 14 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 2qow n GLU 14 Cb 0.17 -0.98 0.00 0.00 -0.02 0.00 0.00 31.44 30.61 2qow n GLU 14 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 2qow n PHE 15 N -1.47 0.00 -1.27 -0.32 3.01 -1.15 -5.08 117.46 111.19 2qow n PHE 15 Ca 0.00 0.00 -0.47 0.00 1.01 0.00 0.00 57.45 57.99 2qow n PHE 15 Cb 0.04 0.06 -0.05 0.00 -0.01 0.00 0.00 39.48 39.51 2qow n PHE 15 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2qow n GLY 16 N 2.64 -0.76 0.62 1.37 0.00 -0.28 -4.70 105.19 104.07 2qow n GLY 16 Ca 0.00 0.51 0.47 0.00 0.00 0.00 0.00 46.02 47.00 2qow n GLY 16 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2qow h ARG 17 N 1.89 0.02 0.00 1.61 2.47 -1.88 -3.43 114.38 115.06 2qow h ARG 17 Ca -0.36 -0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.36 2qow h ARG 17 Cb 1.24 -0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.56 2qow h ARG 17 CO 0.54 0.01 0.00 -0.40 0.56 0.00 0.00 179.97 180.68 2qow n ASP 18 N -4.22 0.00 -4.20 7.04 5.68 -1.26 -5.15 116.55 114.44 2qow n ASP 18 Ca 0.41 0.00 -0.32 0.00 -0.50 0.00 0.00 54.79 54.37 2qow n ASP 18 Cb 1.77 0.00 -0.17 0.00 -1.14 0.00 0.00 41.12 41.58 2qow n ASP 18 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2qow s ALA 19 N -1.19 2.21 -0.34 2.12 0.00 -1.26 -4.79 121.76 118.50 2qow s ALA 19 Ca 0.00 -1.02 -0.01 0.00 0.00 0.00 0.00 51.96 50.92 2qow s ALA 19 Cb 0.00 -0.89 -0.02 0.00 0.00 0.00 0.00 23.12 22.21 2qow s ALA 19 CO 0.00 0.15 0.31 -1.71 0.00 0.00 0.00 175.76 174.51 2qow n ASN 20 N 3.76 -3.81 -3.08 0.00 5.15 -1.26 -5.06 115.26 110.96 2qow n ASN 20 Ca -0.19 -0.18 -0.12 0.00 -0.60 0.00 0.00 54.58 53.49 2qow n ASN 20 Cb 0.52 -2.32 -0.04 0.00 -0.53 0.00 0.00 39.78 37.42 2qow n ASN 20 CO 0.00 0.00 0.00 1.51 1.40 0.00 0.00 177.26 180.17 2qow s ASP 21 N -2.89 -0.26 0.05 1.20 -4.77 -1.26 -5.00 116.67 103.73 2qow s ASP 21 Ca 0.11 -1.94 -0.14 0.00 -3.30 0.00 0.00 52.55 47.28 2qow s ASP 21 Cb -0.01 1.07 -0.32 0.00 -1.09 0.00 0.00 42.92 42.56 2qow s ASP 21 CO 0.27 -0.13 1.05 0.71 0.70 0.00 0.00 175.17 177.77 2qow h THR 22 N 4.91 1.31 0.00 2.11 1.35 -1.97 -3.24 112.91 117.38 2qow h THR 22 Ca 0.11 -2.67 0.00 0.00 -0.55 0.00 0.00 66.41 63.31 2qow h THR 22 Cb 1.06 2.92 0.00 0.00 -1.73 0.00 0.00 68.15 70.39 2qow h THR 22 CO 0.15 0.80 0.07 0.61 -0.25 0.00 0.00 175.52 176.89 2qow n GLY 23 N 1.58 -0.55 3.68 5.82 0.00 -1.26 -4.06 105.19 110.40 2qow n GLY 23 Ca -0.15 0.05 -0.45 0.00 0.00 0.00 0.00 46.02 45.47 2qow n GLY 23 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2qow n SER 24 N -1.66 3.33 0.00 1.61 2.88 -1.22 -4.83 113.62 113.73 2qow n SER 24 Ca -0.00 1.06 0.00 0.00 -1.33 0.00 0.00 58.87 58.60 2qow n SER 24 Cb 0.07 -1.45 0.00 0.00 -0.75 0.00 0.00 64.21 62.08 2qow n SER 24 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 2qow n THR 25 N 3.77 0.00 -0.22 2.46 -1.04 -1.26 -1.31 114.28 116.67 2qow n THR 25 Ca 0.17 1.13 -0.02 0.00 -2.04 0.00 0.00 64.05 63.29 2qow n THR 25 Cb 0.30 -1.70 0.01 0.00 -1.82 0.00 0.00 70.33 67.12 2qow n THR 25 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2qow n GLU 26 N -1.41 -0.15 0.08 -2.82 1.02 -1.26 0.20 120.64 116.29 2qow n GLU 26 Ca 0.00 0.87 -0.15 0.00 -0.02 0.00 0.00 57.16 57.86 2qow n GLU 26 Cb 0.00 -1.29 -0.09 0.00 -0.02 0.00 0.00 31.44 30.03 2qow n GLU 26 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2qow h VAL 27 N 0.00 0.00 -0.95 2.62 2.07 -1.65 -2.78 116.25 115.55 2qow h VAL 27 Ca 0.18 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.80 2qow h VAL 27 Cb 0.32 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 29.97 2qow h VAL 27 CO -0.56 0.00 -0.51 0.00 0.02 0.00 0.00 177.57 176.52 2qow n GLN 28 N -5.30 -0.37 0.00 1.57 6.02 0.13 -0.30 117.38 119.14 2qow n GLN 28 Ca -0.07 1.44 0.00 0.00 -0.01 0.00 0.00 57.00 58.36 2qow n GLN 28 Cb 0.38 -2.13 0.00 0.00 1.02 0.00 0.00 30.24 29.51 2qow n GLN 28 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 2qow n VAL 29 N -5.25 0.00 -0.33 5.09 0.31 -1.05 -0.11 118.33 116.99 2qow n VAL 29 Ca 0.04 1.01 0.18 0.00 -0.01 0.00 0.00 64.34 65.56 2qow n VAL 29 Cb 0.28 -1.53 0.39 0.00 -0.91 0.00 0.00 33.84 32.07 2qow n VAL 29 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2qow h ALA 30 N -1.98 1.72 -0.84 3.52 0.00 -1.48 0.26 119.26 120.47 2qow h ALA 30 Ca 0.00 0.16 0.10 0.00 0.00 0.00 0.00 54.91 55.16 2qow h ALA 30 Cb 0.00 0.10 -0.07 0.00 0.00 0.00 0.00 17.79 17.82 2qow h ALA 30 CO 0.00 -0.38 0.49 1.25 0.00 0.00 0.00 179.25 180.61 2qow h LEU 31 N 0.44 0.71 -0.11 0.00 7.12 0.70 -1.36 115.31 122.81 2qow h LEU 31 Ca 0.65 0.05 -0.19 0.00 0.13 0.00 0.00 57.88 58.51 2qow h LEU 31 Cb 1.31 -0.09 0.01 0.00 -0.53 0.00 0.00 40.66 41.36 2qow h LEU 31 CO -0.54 0.40 -0.68 -0.07 -0.13 0.00 0.00 178.44 177.42 2qow h LEU 32 N 0.82 0.79 -0.71 2.25 -0.00 0.29 -3.28 115.31 115.47 2qow h LEU 32 Ca 0.41 -0.65 0.13 0.00 -0.00 0.00 0.00 57.88 57.76 2qow h LEU 32 Cb 0.37 -0.23 -0.09 0.00 -0.00 0.00 0.00 40.66 40.70 2qow h LEU 32 CO -0.25 1.32 0.26 0.74 -0.00 0.00 0.00 178.44 180.51 2qow h THR 33 N 0.31 0.67 -0.12 0.22 2.02 -0.36 -1.64 112.91 114.00 2qow h THR 33 Ca -0.05 -0.14 0.03 0.00 0.77 0.00 0.00 66.41 67.01 2qow h THR 33 Cb 1.33 0.22 -0.06 0.00 -1.74 0.00 0.00 68.15 67.90 2qow h THR 33 CO 0.14 0.07 -0.51 0.00 0.37 0.00 0.00 175.52 175.59 2qow h ALA 34 N 1.52 -0.87 -0.70 6.16 0.00 -1.33 0.93 119.26 124.97 2qow h ALA 34 Ca 0.38 -0.06 0.15 0.00 0.00 0.00 0.00 54.91 55.39 2qow h ALA 34 Cb 0.56 0.98 -0.04 0.00 0.00 0.00 0.00 17.79 19.30 2qow h ALA 34 CO -0.39 -1.05 0.47 1.96 0.00 0.00 0.00 179.25 180.24 2qow h GLN 35 N -0.55 0.28 0.11 0.00 4.20 -1.55 -1.40 115.11 116.21 2qow h GLN 35 Ca 0.03 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.72 2qow h GLN 35 Cb 0.64 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.36 2qow h GLN 35 CO -0.41 0.19 -0.05 0.82 -0.67 0.00 0.00 178.83 178.71 2qow h ILE 36 N 0.29 0.00 -0.19 2.54 1.08 0.35 -1.29 117.51 120.29 2qow h ILE 36 Ca 0.34 -0.14 0.05 0.00 -0.39 0.00 0.00 64.86 64.73 2qow h ILE 36 Cb 0.92 0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 34.66 2qow h ILE 36 CO -0.08 0.00 0.62 0.78 -0.69 0.00 0.00 178.15 178.78 2qow h ASN 37 N -0.29 0.00 0.10 1.72 -0.26 0.89 0.96 115.58 118.70 2qow h ASN 37 Ca -0.02 0.00 -0.29 0.00 -0.56 0.00 0.00 56.30 55.44 2qow h ASN 37 Cb 0.11 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.37 2qow h ASN 37 CO 0.03 0.00 -1.51 -0.74 -1.06 0.00 0.00 177.43 174.15 2qow h HIS 38 N 0.00 0.39 0.00 1.19 2.76 -1.28 -3.33 115.15 114.88 2qow h HIS 38 Ca 0.09 -0.29 0.00 0.00 -2.20 0.00 0.00 60.37 57.97 2qow h HIS 38 Cb 1.33 -0.02 0.00 0.00 1.55 0.00 0.00 27.41 30.27 2qow h HIS 38 CO 0.00 1.59 0.12 1.28 -1.30 0.00 0.00 177.93 179.63 2qow n LEU 39 N -3.90 0.08 0.07 0.26 4.32 0.32 -2.22 117.00 115.92 2qow n LEU 39 Ca -0.27 0.43 -0.12 0.00 -0.02 0.00 0.00 56.01 56.03 2qow n LEU 39 Cb 0.90 -0.43 -0.05 0.00 -1.62 0.00 0.00 43.42 42.22 2qow n LEU 39 CO 0.39 -0.46 0.67 1.56 -1.22 0.00 0.00 177.39 178.32 2qow h GLN 40 N 0.00 -0.44 0.13 3.23 1.08 -1.65 -1.60 115.11 115.86 2qow h GLN 40 Ca 0.00 0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.23 2qow h GLN 40 Cb 0.25 0.10 -0.02 0.00 -0.05 0.00 0.00 27.48 27.76 2qow h GLN 40 CO 0.00 -0.29 -0.28 0.78 -0.95 0.00 0.00 178.83 178.09 2qow h GLY 41 N -0.46 -1.13 -0.93 3.46 0.00 -1.72 1.88 103.07 104.17 2qow h GLY 41 Ca 0.06 0.55 0.40 0.00 0.00 0.00 0.00 47.33 48.34 2qow h GLY 41 CO -0.24 -0.35 0.65 0.84 0.00 0.00 0.00 176.54 177.45 2qow h HIS 42 N -0.44 0.75 0.00 5.60 -0.00 -1.71 0.97 115.15 120.31 2qow h HIS 42 Ca -0.01 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.39 2qow h HIS 42 Cb 0.42 -0.18 0.00 0.00 -0.00 0.00 0.00 27.41 27.65 2qow h HIS 42 CO -0.31 -0.32 -1.00 1.19 -0.00 0.00 0.00 177.93 177.49 2qow n PHE 43 N -5.02 0.89 -0.34 5.26 0.99 -0.61 -3.88 117.46 114.74 2qow n PHE 43 Ca 0.36 0.26 0.15 0.00 -0.00 0.00 0.00 57.45 58.22 2qow n PHE 43 Cb 1.27 -0.90 0.37 0.00 -1.00 0.00 0.00 39.48 39.21 2qow n PHE 43 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 2qow h ALA 44 N 2.06 1.80 -3.54 4.37 0.00 1.10 -3.31 119.26 121.74 2qow h ALA 44 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2qow h ALA 44 Cb 0.97 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.70 2qow h ALA 44 CO 0.00 -0.18 0.00 0.39 0.00 0.00 0.00 179.25 179.46 2qow n GLU 45 N -4.74 2.52 0.00 0.00 4.71 -1.15 -4.75 120.64 117.23 2qow n GLU 45 Ca 0.24 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.39 2qow n GLU 45 Cb 0.64 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 31.07 2qow n GLU 45 CO 0.00 0.00 0.00 0.72 0.09 0.00 0.00 177.13 177.94 2qow n HIS 46 N -0.22 0.00 0.00 -0.32 8.25 -1.26 -4.77 115.22 116.91 2qow n HIS 46 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2qow n HIS 46 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 2qow n HIS 46 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2qow n LYS 47 N 0.00 0.00 0.00 -0.41 5.02 -1.25 -3.95 118.16 117.58 2qow n LYS 47 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2qow n LYS 47 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 2qow n LYS 47 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2qow n LYS 48 N 0.00 0.00 -0.06 1.97 4.76 -1.26 -3.70 118.16 119.87 2qow n LYS 48 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 2qow n LYS 48 Cb 0.00 -1.02 0.00 0.00 -1.84 0.00 0.00 35.03 32.17 2qow n LYS 48 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 2qow n ASP 49 N -0.50 2.13 0.00 4.39 -0.08 -1.25 -4.65 116.55 116.59 2qow n ASP 49 Ca 0.00 -1.36 0.00 0.00 -1.51 0.00 0.00 54.79 51.92 2qow n ASP 49 Cb 0.00 -0.38 0.00 0.00 2.34 0.00 0.00 41.12 43.08 2qow n ASP 49 CO 0.00 0.00 0.00 1.41 0.12 0.00 0.00 177.20 178.73 2qow n HIS 50 N 0.87 0.00 0.00 -0.67 8.25 -1.24 -0.37 115.22 122.07 2qow n HIS 50 Ca 0.00 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.45 2qow n HIS 50 Cb 0.31 -0.46 -0.01 0.00 1.12 0.00 0.00 29.99 30.96 2qow n HIS 50 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2qow h HIS 51 N 0.00 -0.13 -0.64 4.41 3.86 -1.95 0.70 115.15 121.41 2qow h HIS 51 Ca 0.00 0.00 0.11 0.00 -1.16 0.00 0.00 60.37 59.32 2qow h HIS 51 Cb 0.00 0.06 -0.08 0.00 1.06 0.00 0.00 27.41 28.45 2qow h HIS 51 CO 0.00 -0.05 0.23 0.77 0.86 0.00 0.00 177.93 179.74 2qow h SER 52 N -0.05 0.20 -0.51 2.45 0.02 -1.10 -2.07 113.55 112.49 2qow h SER 52 Ca 0.00 0.09 0.06 0.00 -0.84 0.00 0.00 61.79 61.10 2qow h SER 52 Cb 0.06 0.08 -0.09 0.00 0.14 0.00 0.00 62.40 62.58 2qow h SER 52 CO -0.03 0.11 -0.56 -0.09 -1.14 0.00 0.00 176.83 175.12 2qow h ARG 53 N 0.40 -0.32 -0.97 3.45 9.65 -0.72 0.12 114.38 125.99 2qow h ARG 53 Ca 0.33 0.02 0.28 0.00 -1.10 0.00 0.00 59.98 59.51 2qow h ARG 53 Cb 0.44 0.07 -0.18 0.00 -1.39 0.00 0.00 29.97 28.91 2qow h ARG 53 CO -0.34 -0.21 0.08 -0.09 2.80 0.00 0.00 179.97 182.21 2qow h ARG 54 N -0.33 0.03 -0.21 0.20 1.12 -0.14 0.34 114.38 115.39 2qow h ARG 54 Ca 0.09 -0.00 0.05 0.00 -1.11 0.00 0.00 59.98 59.01 2qow h ARG 54 Cb 0.57 -0.01 -0.06 0.00 -0.01 0.00 0.00 29.97 30.46 2qow h ARG 54 CO -0.65 0.02 -0.18 0.78 -3.11 0.00 0.00 179.97 176.83 2qow h GLY 55 N 0.03 -0.05 -0.25 2.80 0.00 -0.65 -0.34 103.07 104.61 2qow h GLY 55 Ca 0.61 0.22 0.28 0.00 0.00 0.00 0.00 47.33 48.43 2qow h GLY 55 CO -0.88 -0.17 0.65 -2.00 0.00 0.00 0.00 176.54 174.14 2qow h LEU 56 N -0.18 0.51 -0.14 3.11 5.85 -0.07 0.02 115.31 124.40 2qow h LEU 56 Ca 0.12 0.11 -0.07 0.00 0.84 0.00 0.00 57.88 58.89 2qow h LEU 56 Cb 0.37 0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.44 2qow h LEU 56 CO -0.32 0.05 -0.19 -0.07 -0.34 0.00 0.00 178.44 177.58 2qow h LEU 57 N 0.43 0.41 -0.69 2.25 4.07 -0.87 -2.10 115.31 118.80 2qow h LEU 57 Ca 0.64 -0.51 0.12 0.00 0.08 0.00 0.00 57.88 58.21 2qow h LEU 57 Cb 1.51 -0.12 -0.09 0.00 1.08 0.00 0.00 40.66 43.05 2qow h LEU 57 CO -0.39 0.84 0.25 -0.09 -1.08 0.00 0.00 178.44 177.96 2qow h ARG 58 N -0.01 0.39 0.25 1.13 1.12 -0.02 0.60 114.38 117.83 2qow h ARG 58 Ca 0.02 -0.02 -0.01 0.00 -1.11 0.00 0.00 59.98 58.85 2qow h ARG 58 Cb 0.74 -0.09 0.00 0.00 -0.01 0.00 0.00 29.97 30.62 2qow h ARG 58 CO 0.04 0.26 -0.12 0.00 -3.11 0.00 0.00 179.97 177.04 2qow h MET 59 N 0.40 -0.33 -0.15 0.20 -0.00 -1.44 -0.64 114.93 112.97 2qow h MET 59 Ca 0.37 0.02 0.05 0.00 -0.00 0.00 0.00 59.70 60.14 2qow h MET 59 Cb 0.53 0.07 -0.06 0.00 -0.00 0.00 0.00 31.60 32.14 2qow h MET 59 CO -0.38 0.03 -0.25 0.28 -0.00 0.00 0.00 176.91 176.59 2qow h VAL 60 N -0.79 0.40 -0.82 -0.10 2.07 -1.00 0.14 116.25 116.15 2qow h VAL 60 Ca -0.03 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.61 2qow h VAL 60 Cb 0.51 0.40 -0.06 0.00 -1.52 0.00 0.00 31.29 30.62 2qow h VAL 60 CO 0.06 0.00 0.53 0.77 0.02 0.00 0.00 177.57 178.95 2qow h SER 61 N -0.30 0.58 0.07 0.57 4.64 0.15 0.87 113.55 120.12 2qow h SER 61 Ca 0.11 0.03 -0.11 0.00 -0.47 0.00 0.00 61.79 61.35 2qow h SER 61 Cb 0.47 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 62.45 2qow h SER 61 CO -0.33 0.31 -0.36 -0.61 -0.87 0.00 0.00 176.83 174.98 2qow h GLN 62 N 0.62 0.39 -0.31 4.77 4.15 0.72 -3.02 115.11 122.43 2qow h GLN 62 Ca 0.40 -0.18 -0.02 0.00 0.77 0.00 0.00 58.65 59.62 2qow h GLN 62 Cb 0.66 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.33 2qow h GLN 62 CO -0.16 0.70 0.11 -0.09 -1.93 0.00 0.00 178.83 177.46 2qow h ARG 63 N 0.34 0.48 -0.13 1.69 2.43 0.17 -2.39 114.38 116.96 2qow h ARG 63 Ca 0.04 -0.10 0.03 0.00 -0.81 0.00 0.00 59.98 59.14 2qow h ARG 63 Cb 0.78 -0.07 -0.06 0.00 -0.42 0.00 0.00 29.97 30.20 2qow h ARG 63 CO 0.06 0.51 -0.51 -0.09 -1.51 0.00 0.00 179.97 178.44 2qow h ARG 64 N 0.35 -0.52 -0.31 0.20 9.65 -1.30 0.55 114.38 123.00 2qow h ARG 64 Ca 0.10 0.04 0.09 0.00 -1.10 0.00 0.00 59.98 59.11 2qow h ARG 64 Cb 0.23 0.12 -0.01 0.00 -1.39 0.00 0.00 29.97 28.91 2qow h ARG 64 CO -0.00 -0.35 0.38 0.87 2.80 0.00 0.00 179.97 183.67 2qow h LYS 65 N -0.54 0.00 0.09 0.20 1.57 -1.50 -1.32 116.57 115.07 2qow h LYS 65 Ca 0.03 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.81 2qow h LYS 65 Cb 0.63 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.94 2qow h LYS 65 CO -0.41 0.00 -0.05 1.25 -0.57 0.00 0.00 179.45 179.68 2qow h LEU 66 N 0.00 -0.11 -0.49 2.94 7.12 0.43 -3.19 115.31 122.01 2qow h LEU 66 Ca 0.15 -0.24 0.09 0.00 0.13 0.00 0.00 57.88 58.00 2qow h LEU 66 Cb 0.91 0.03 -0.07 0.00 -0.53 0.00 0.00 40.66 41.00 2qow h LEU 66 CO -0.00 0.48 0.08 -0.07 -0.13 0.00 0.00 178.44 178.80 2qow h LEU 67 N -1.00 -0.05 -0.68 2.25 3.38 0.30 -1.13 115.31 118.39 2qow h LEU 67 Ca -0.01 0.09 0.14 0.00 0.09 0.00 0.00 57.88 58.19 2qow h LEU 67 Cb 0.34 0.14 -0.13 0.00 0.09 0.00 0.00 40.66 41.10 2qow h LEU 67 CO 0.02 0.01 -0.17 0.44 0.09 0.00 0.00 178.44 178.83 2qow h ASP 68 N 0.20 -0.63 -0.93 -0.43 5.19 -1.40 0.58 116.42 119.01 2qow h ASP 68 Ca 0.24 0.20 0.16 0.00 -0.62 0.00 0.00 57.03 57.02 2qow h ASP 68 Cb 0.34 0.42 -0.08 0.00 0.18 0.00 0.00 39.33 40.19 2qow h ASP 68 CO -0.34 -0.22 0.59 0.22 -3.12 0.00 0.00 179.24 176.37 2qow h TYR 69 N 0.00 0.84 0.00 4.55 3.20 -1.20 -2.63 116.97 121.74 2qow h TYR 69 Ca 0.33 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.23 2qow h TYR 69 Cb 0.51 -0.26 0.00 0.00 1.54 0.00 0.00 36.73 38.51 2qow h TYR 69 CO -0.55 0.27 0.00 -0.11 -1.64 0.00 0.00 178.16 176.14 2qow n LEU 70 N -4.59 0.00 -0.34 2.82 -0.00 0.20 -2.02 117.00 113.07 2qow n LEU 70 Ca 0.19 0.99 0.21 0.00 -0.00 0.00 0.00 56.01 57.40 2qow n LEU 70 Cb 0.52 -0.49 0.46 0.00 -0.00 0.00 0.00 43.42 43.91 2qow n LEU 70 CO 0.28 -0.49 1.19 0.50 -0.00 0.00 0.00 177.39 178.87 2qow h LYS 71 N 0.00 0.45 -0.74 1.96 3.11 -1.43 0.29 116.57 120.21 2qow h LYS 71 Ca 0.00 -0.03 0.08 0.00 -2.81 0.00 0.00 60.65 57.90 2qow h LYS 71 Cb 0.00 -0.10 -0.05 0.00 -1.00 0.00 0.00 32.23 31.08 2qow h LYS 71 CO 0.00 0.30 0.49 -0.09 -2.81 0.00 0.00 179.45 177.33 2qow h ARG 72 N 0.46 0.67 0.00 1.90 2.43 -1.06 -3.20 114.38 115.59 2qow h ARG 72 Ca 0.63 -0.04 -0.33 0.00 -0.81 0.00 0.00 59.98 59.44 2qow h ARG 72 Cb 1.43 -0.15 -0.05 0.00 -0.42 0.00 0.00 29.97 30.78 2qow h ARG 72 CO -0.40 0.45 -1.79 1.63 -1.51 0.00 0.00 179.97 178.35 2qow n LYS 73 N -4.49 0.58 -3.31 0.20 4.76 0.75 -4.93 118.16 111.73 2qow n LYS 73 Ca 0.12 0.44 -0.09 0.00 -2.87 0.00 0.00 58.31 55.91 2qow n LYS 73 Cb 0.30 -1.65 -0.06 0.00 -1.84 0.00 0.00 35.03 31.78 2qow n LYS 73 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 2qow s ASP 74 N -7.10 0.38 0.41 4.39 -1.08 0.31 -5.02 116.67 108.98 2qow s ASP 74 Ca -0.32 -0.34 0.12 0.00 -0.52 0.00 0.00 52.55 51.49 2qow s ASP 74 Cb 0.09 1.11 0.96 0.00 -1.46 0.00 0.00 42.92 43.62 2qow s ASP 74 CO 0.56 -0.35 1.96 0.58 0.52 0.00 0.00 175.17 178.45 2qow h VAL 75 N 6.16 0.91 -0.35 1.11 2.07 -1.73 -2.85 116.25 121.57 2qow h VAL 75 Ca -0.09 -0.17 0.06 0.00 0.82 0.00 0.00 66.70 67.31 2qow h VAL 75 Cb 1.12 0.37 -0.08 0.00 -1.52 0.00 0.00 31.29 31.18 2qow h VAL 75 CO 0.27 0.09 -0.48 0.00 0.02 0.00 0.00 177.57 177.47 2qow h ALA 76 N 1.67 -0.59 0.18 1.67 0.00 -1.93 -1.33 119.26 118.93 2qow h ALA 76 Ca 0.30 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.23 2qow h ALA 76 Cb 0.52 0.96 -0.01 0.00 0.00 0.00 0.00 17.79 19.26 2qow h ALA 76 CO -0.09 -0.95 -0.18 0.00 0.00 0.00 0.00 179.25 178.03 2qow h ARG 77 N -0.40 -0.34 -0.88 0.00 3.08 -1.89 -2.56 114.38 111.39 2qow h ARG 77 Ca 0.10 0.02 0.08 0.00 0.07 0.00 0.00 59.98 60.26 2qow h ARG 77 Cb 0.61 0.08 -0.11 0.00 0.08 0.00 0.00 29.97 30.62 2qow h ARG 77 CO -0.55 -0.23 -0.57 -0.92 -1.07 0.00 0.00 179.97 176.64 2qow h TYR 78 N -0.36 -1.81 -0.01 3.04 3.20 -1.57 0.60 116.97 120.06 2qow h TYR 78 Ca -0.02 0.12 0.00 0.00 3.14 0.00 0.00 58.73 61.97 2qow h TYR 78 Cb 0.31 0.91 -0.01 0.00 1.54 0.00 0.00 36.73 39.48 2qow h TYR 78 CO -0.12 -0.38 -0.04 1.79 -1.64 0.00 0.00 178.16 177.77 2qow h THR 79 N -0.06 0.00 0.00 1.81 1.35 -1.26 0.17 112.91 114.91 2qow h THR 79 Ca 0.14 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.00 2qow h THR 79 Cb 0.43 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 66.85 2qow h THR 79 CO -0.86 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 174.41 2qow n GLN 80 N -2.80 0.10 -0.07 4.72 6.02 -0.97 -2.57 117.38 121.81 2qow n GLN 80 Ca -0.01 0.10 -0.09 0.00 -0.01 0.00 0.00 57.00 56.99 2qow n GLN 80 Cb 0.03 -1.50 -0.05 0.00 1.02 0.00 0.00 30.24 29.74 2qow n GLN 80 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 2qow h LEU 81 N 0.00 0.00 -0.96 1.08 6.46 0.31 -3.38 115.31 118.82 2qow h LEU 81 Ca 0.00 -0.29 0.37 0.00 -0.12 0.00 0.00 57.88 57.83 2qow h LEU 81 Cb 0.01 0.00 -0.18 0.00 -0.73 0.00 0.00 40.66 39.77 2qow h LEU 81 CO 0.00 0.89 0.38 -0.38 -0.62 0.00 0.00 178.44 178.71 2qow n ILE 82 N -4.62 -0.40 -0.32 4.05 5.41 -0.46 -1.26 119.36 121.76 2qow n ILE 82 Ca -0.11 2.00 0.04 0.00 1.00 0.00 0.00 62.75 65.68 2qow n ILE 82 Cb 0.32 -3.15 0.12 0.00 -0.71 0.00 0.00 39.64 36.21 2qow n ILE 82 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 176.55 176.47 2qow h GLU 83 N 0.00 -0.00 -0.56 0.38 4.57 -1.74 3.16 114.58 120.38 2qow h GLU 83 Ca 0.75 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.93 2qow h GLU 83 Cb 1.90 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.49 2qow h GLU 83 CO -0.79 -0.00 0.00 0.54 -1.18 0.00 0.00 179.01 177.58 2qow n ARG 84 N -5.57 0.93 0.00 1.92 1.74 -0.39 -3.70 116.66 111.59 2qow n ARG 84 Ca 0.14 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.22 2qow n ARG 84 Cb 0.45 -1.28 0.00 0.00 -1.02 0.00 0.00 32.46 30.61 2qow n ARG 84 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2qow n LEU 85 N -0.18 0.00 0.00 0.55 4.32 0.31 -5.02 117.00 116.98 2qow n LEU 85 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 2qow n LEU 85 Cb 0.14 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.94 2qow n LEU 85 CO 0.00 0.00 0.00 0.61 -1.22 0.00 0.00 177.39 176.78 2qow n GLY 86 N 0.51 2.67 3.31 -0.72 0.00 0.97 -4.99 105.19 106.94 2qow n GLY 86 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 2qow n GLY 86 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2qow n LEU 87 N 0.00 -1.90 -1.47 0.99 4.77 -1.26 -2.54 117.00 115.60 2qow n LEU 87 Ca 0.00 -0.04 -0.07 0.00 -0.03 0.00 0.00 56.01 55.87 2qow n LEU 87 Cb 0.00 -1.01 -0.02 0.00 -2.33 0.00 0.00 43.42 40.05 2qow n LEU 87 CO 0.00 -3.20 -0.07 -1.14 -1.33 0.00 0.00 177.39 171.65 2qow n ARG 88 N -2.08 -1.45 -0.30 3.23 3.00 -1.26 -4.92 116.66 112.88 2qow n ARG 88 Ca 0.02 0.39 0.00 0.00 -0.00 0.00 0.00 57.85 58.26 2qow n ARG 88 Cb 0.60 -4.61 0.00 0.00 0.00 0.00 0.00 32.46 28.46 2qow n ARG 88 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17