#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qow s ILE 3 N 0.00 1.79 0.00 -1.44 1.01 -1.26 -4.99 121.20 116.31 2qow s ILE 3 Ca 0.00 -2.17 0.00 0.00 0.00 0.00 0.00 60.65 58.48 2qow s ILE 3 Cb 0.00 -2.31 0.00 0.00 0.01 0.00 0.00 42.46 40.16 2qow s ILE 3 CO 0.00 -0.67 0.00 1.17 0.00 0.00 0.00 174.94 175.44 2qow n LYS 4 N 4.26 0.00 -0.16 2.79 0.00 -1.26 -5.00 118.16 118.80 2qow n LYS 4 Ca 0.03 0.00 0.27 0.00 0.00 0.00 0.00 58.31 58.61 2qow n LYS 4 Cb 0.40 0.00 0.55 0.00 0.00 0.00 0.00 35.03 35.98 2qow n LYS 4 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 2qow h SER 5 N 0.00 0.00 -0.05 3.14 4.64 -2.05 0.19 113.55 119.42 2qow h SER 5 Ca 0.00 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.33 2qow h SER 5 Cb 0.00 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2qow h SER 5 CO 0.00 0.00 0.49 0.00 -0.87 0.00 0.00 176.83 176.45 2qow h ALA 6 N 0.83 1.56 -0.87 5.18 0.00 -2.00 -1.72 119.26 122.23 2qow h ALA 6 Ca 0.43 -0.00 0.23 0.00 0.00 0.00 0.00 54.91 55.57 2qow h ALA 6 Cb 2.46 0.00 -0.15 0.00 0.00 0.00 0.00 17.79 20.11 2qow h ALA 6 CO -0.00 -0.52 0.13 -0.22 0.00 0.00 0.00 179.25 178.64 2qow h LYS 7 N 0.00 0.13 -0.37 0.00 3.11 -1.00 0.36 116.57 118.79 2qow h LYS 7 Ca 0.02 -0.01 0.08 0.00 -2.81 0.00 0.00 60.65 57.94 2qow h LYS 7 Cb 1.01 -0.03 -0.08 0.00 -1.00 0.00 0.00 32.23 32.13 2qow h LYS 7 CO -0.00 0.08 -0.19 -0.22 -2.81 0.00 0.00 179.45 176.31 2qow h LYS 8 N 0.13 -0.12 -0.81 1.90 3.64 -1.58 -0.74 116.57 119.00 2qow h LYS 8 Ca 0.53 0.01 0.18 0.00 -1.27 0.00 0.00 60.65 60.10 2qow h LYS 8 Cb 1.05 0.03 -0.12 0.00 -0.41 0.00 0.00 32.23 32.78 2qow h LYS 8 CO -0.72 -0.08 0.27 -0.09 -2.27 0.00 0.00 179.45 176.56 2qow h ARG 9 N -0.13 0.33 -0.84 1.90 9.65 -0.49 0.35 114.38 125.15 2qow h ARG 9 Ca 0.19 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 59.05 2qow h ARG 9 Cb 0.41 -0.07 -0.04 0.00 -1.39 0.00 0.00 29.97 28.88 2qow h ARG 9 CO -0.45 0.22 0.54 0.00 2.80 0.00 0.00 179.97 183.07 2qow h ALA 10 N 1.65 1.36 -0.07 2.80 0.00 -0.83 -1.44 119.26 122.73 2qow h ALA 10 Ca 0.48 -0.07 -0.11 0.00 0.00 0.00 0.00 54.91 55.21 2qow h ALA 10 Cb 0.84 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2qow h ALA 10 CO -0.51 0.57 -0.37 0.82 0.00 0.00 0.00 179.25 179.76 2qow h ILE 11 N 1.15 1.41 -0.40 0.00 2.04 -0.30 -2.95 117.51 118.46 2qow h ILE 11 Ca 0.31 -1.76 0.08 0.00 1.00 0.00 0.00 64.86 64.49 2qow h ILE 11 Cb -0.10 2.31 -0.09 0.00 -0.74 0.00 0.00 36.82 38.21 2qow h ILE 11 CO -0.06 0.51 -0.19 -0.61 0.00 0.00 0.00 178.15 177.79 2qow h GLN 12 N -0.10 -0.12 -0.98 2.37 4.15 -0.10 0.04 115.11 120.37 2qow h GLN 12 Ca -0.02 0.01 0.04 0.00 0.77 0.00 0.00 58.65 59.44 2qow h GLN 12 Cb 1.02 0.03 -0.06 0.00 0.21 0.00 0.00 27.48 28.68 2qow h GLN 12 CO 0.08 -0.08 0.64 1.03 -1.93 0.00 0.00 178.83 178.57 2qow h SER 13 N -0.12 1.05 0.14 -0.69 0.87 -1.33 -2.85 113.55 110.62 2qow h SER 13 Ca 0.20 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.75 2qow h SER 13 Cb 0.42 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 62.13 2qow h SER 13 CO -0.48 0.71 -0.14 -0.08 -0.53 0.00 0.00 176.83 176.32 2qow h GLU 14 N 1.22 -0.29 -0.91 2.24 4.22 -0.84 -2.17 114.58 118.05 2qow h GLU 14 Ca 0.39 0.02 0.21 0.00 0.08 0.00 0.00 59.36 60.07 2qow h GLU 14 Cb 0.04 0.07 -0.12 0.00 0.50 0.00 0.00 28.75 29.23 2qow h GLU 14 CO -0.13 -0.19 0.45 0.87 -2.18 0.00 0.00 179.01 177.83 2qow h LYS 15 N -0.30 0.47 -0.34 1.92 1.79 -1.09 0.17 116.57 119.19 2qow h LYS 15 Ca 0.00 -0.03 -0.09 0.00 -2.18 0.00 0.00 60.65 58.35 2qow h LYS 15 Cb 0.29 -0.11 -0.02 0.00 -1.58 0.00 0.00 32.23 30.81 2qow h LYS 15 CO -0.03 0.31 -0.17 0.00 -1.08 0.00 0.00 179.45 178.48 2qow h ALA 16 N 1.69 1.08 -0.28 3.86 0.00 -1.39 -2.93 119.26 121.29 2qow h ALA 16 Ca 0.56 -0.32 0.07 0.00 0.00 0.00 0.00 54.91 55.22 2qow h ALA 16 Cb 1.02 -0.15 -0.08 0.00 0.00 0.00 0.00 17.79 18.59 2qow h ALA 16 CO -0.48 0.56 -0.27 -0.09 0.00 0.00 0.00 179.25 178.97 2qow h ARG 17 N 0.55 -0.25 0.27 0.00 1.12 -0.03 1.25 114.38 117.30 2qow h ARG 17 Ca 0.09 0.02 -0.01 0.00 -1.11 0.00 0.00 59.98 58.96 2qow h ARG 17 Cb 0.60 0.06 0.00 0.00 -0.01 0.00 0.00 29.97 30.62 2qow h ARG 17 CO 0.04 -0.16 -0.13 0.87 -3.11 0.00 0.00 179.97 177.48 2qow h LYS 18 N -0.26 -0.35 0.29 0.20 1.57 -1.50 0.13 116.57 116.65 2qow h LYS 18 Ca 0.15 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 2qow h LYS 18 Cb 0.49 0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.85 2qow h LYS 18 CO -0.43 -0.19 -0.40 1.25 -0.57 0.00 0.00 179.45 179.11 2qow h HIS 19 N -0.42 -1.10 -0.48 -1.35 2.76 -1.22 -2.64 115.15 110.70 2qow h HIS 19 Ca -0.04 0.02 0.08 0.00 -2.20 0.00 0.00 60.37 58.23 2qow h HIS 19 Cb 0.32 0.44 -0.06 0.00 1.55 0.00 0.00 27.41 29.66 2qow h HIS 19 CO -0.04 -0.53 0.11 -0.91 -1.30 0.00 0.00 177.93 175.26 2qow h ASN 20 N -0.74 0.04 -0.95 3.26 4.21 0.16 -2.80 115.58 118.76 2qow h ASN 20 Ca -0.01 0.08 0.09 0.00 1.21 0.00 0.00 56.30 57.67 2qow h ASN 20 Cb 0.70 0.10 -0.12 0.00 -1.12 0.00 0.00 38.32 37.88 2qow h ASN 20 CO -0.13 0.05 -0.57 0.00 -1.29 0.00 0.00 177.43 175.50 2qow h ALA 21 N 1.36 -0.50 -0.71 -0.83 0.00 -0.38 0.31 119.26 118.52 2qow h ALA 21 Ca 0.24 0.12 0.08 0.00 0.00 0.00 0.00 54.91 55.35 2qow h ALA 21 Cb 0.30 1.32 -0.07 0.00 0.00 0.00 0.00 17.79 19.34 2qow h ALA 21 CO -0.30 -0.94 0.37 0.66 0.00 0.00 0.00 179.25 179.04 2qow h SER 22 N -0.04 0.51 0.40 0.00 4.64 -1.33 -0.67 113.55 117.06 2qow h SER 22 Ca 0.17 0.05 -0.01 0.00 -0.47 0.00 0.00 61.79 61.53 2qow h SER 22 Cb 0.44 -0.04 -0.02 0.00 -0.31 0.00 0.00 62.40 62.47 2qow h SER 22 CO -0.91 0.31 -0.33 0.03 -0.87 0.00 0.00 176.83 175.06 2qow h ARG 23 N 0.65 -0.70 -0.08 4.77 2.47 -0.33 0.37 114.38 121.52 2qow h ARG 23 Ca 0.34 0.05 0.04 0.00 -1.26 0.00 0.00 59.98 59.14 2qow h ARG 23 Cb 0.30 0.16 -0.05 0.00 -1.65 0.00 0.00 29.97 28.73 2qow h ARG 23 CO -0.24 -0.47 -0.26 0.00 0.56 0.00 0.00 179.97 179.56 2qow h ARG 24 N -0.73 -0.34 -0.19 0.04 3.08 -0.43 0.50 114.38 116.30 2qow h ARG 24 Ca -0.03 0.02 0.05 0.00 0.07 0.00 0.00 59.98 60.09 2qow h ARG 24 Cb 0.63 0.08 -0.05 0.00 0.08 0.00 0.00 29.97 30.71 2qow h ARG 24 CO -0.02 -0.23 -0.11 0.77 -1.07 0.00 0.00 179.97 179.31 2qow h SER 25 N -0.36 -0.37 -0.06 7.04 0.02 -0.92 -0.21 113.55 118.69 2qow h SER 25 Ca 0.09 0.08 0.03 0.00 -0.84 0.00 0.00 61.79 61.15 2qow h SER 25 Cb 0.48 0.20 -0.04 0.00 0.14 0.00 0.00 62.40 63.18 2qow h SER 25 CO -0.29 -0.15 -0.16 -0.03 -1.14 0.00 0.00 176.83 175.06 2qow h MET 26 N -0.10 -0.23 -0.14 3.45 1.85 0.19 0.23 114.93 120.17 2qow h MET 26 Ca 0.11 0.02 0.04 0.00 -0.61 0.00 0.00 59.70 59.25 2qow h MET 26 Cb 0.26 0.05 -0.04 0.00 0.43 0.00 0.00 31.60 32.31 2qow h MET 26 CO -0.26 -0.15 -0.10 1.98 -0.40 0.00 0.00 176.91 177.98 2qow h MET 27 N -0.24 -0.10 0.16 0.39 -1.53 -0.58 -2.83 114.93 110.21 2qow h MET 27 Ca 0.07 0.01 -0.01 0.00 -3.44 0.00 0.00 59.70 56.33 2qow h MET 27 Cb 0.34 0.02 0.00 0.00 -0.55 0.00 0.00 31.60 31.41 2qow h MET 27 CO -0.20 -0.07 -0.08 0.00 0.14 0.00 0.00 176.91 176.70 2qow h ARG 28 N -0.10 -0.21 -0.68 0.39 3.08 -0.66 -2.99 114.38 113.21 2qow h ARG 28 Ca 0.09 0.01 0.15 0.00 0.07 0.00 0.00 59.98 60.30 2qow h ARG 28 Cb 0.23 0.05 -0.12 0.00 0.08 0.00 0.00 29.97 30.21 2qow h ARG 28 CO -0.21 -0.13 -0.04 1.79 -1.07 0.00 0.00 179.97 180.31 2qow h THR 29 N -0.23 0.40 -0.53 2.04 1.35 -0.41 0.77 112.91 116.30 2qow h THR 29 Ca -0.02 -0.03 -0.03 0.00 -0.55 0.00 0.00 66.41 65.78 2qow h THR 29 Cb 0.17 0.31 -0.03 0.00 -1.73 0.00 0.00 68.15 66.88 2qow h THR 29 CO 0.04 0.02 0.22 -0.26 -0.25 0.00 0.00 175.52 175.28 2qow h PHE 30 N 0.08 0.75 -0.41 4.73 -1.00 -1.46 -2.43 116.94 117.21 2qow h PHE 30 Ca 0.35 -0.03 -0.06 0.00 2.81 0.00 0.00 57.97 61.04 2qow h PHE 30 Cb 0.59 -0.23 -0.02 0.00 3.61 0.00 0.00 35.95 39.89 2qow h PHE 30 CO -0.43 0.58 -0.01 0.82 -1.61 0.00 0.00 178.31 177.66 2qow h ILE 31 N 0.75 1.22 -0.76 -0.55 2.04 -0.73 -2.99 117.51 116.49 2qow h ILE 31 Ca 0.18 -0.92 0.00 0.00 1.00 0.00 0.00 64.86 65.13 2qow h ILE 31 Cb 0.13 0.92 -0.04 0.00 -0.74 0.00 0.00 36.82 37.10 2qow h ILE 31 CO -0.02 0.32 0.49 0.11 0.00 0.00 0.00 178.15 179.05 2qow h LYS 32 N 0.62 1.02 -0.97 2.37 1.57 -0.81 -2.12 116.57 118.24 2qow h LYS 32 Ca 0.13 -0.07 0.21 0.00 -1.87 0.00 0.00 60.65 59.04 2qow h LYS 32 Cb 0.40 -0.22 -0.09 0.00 0.08 0.00 0.00 32.23 32.40 2qow h LYS 32 CO 0.02 0.69 0.62 0.87 -0.57 0.00 0.00 179.45 181.08 2qow h LYS 33 N 1.04 0.53 -0.10 3.15 1.57 -1.49 0.21 116.57 121.47 2qow h LYS 33 Ca 0.28 -0.03 0.01 0.00 -1.87 0.00 0.00 60.65 59.04 2qow h LYS 33 Cb -0.09 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.09 2qow h LYS 33 CO -0.06 0.35 0.02 0.28 -0.57 0.00 0.00 179.45 179.47 2qow h VAL 34 N 0.55 0.95 -0.38 0.50 2.07 -1.48 0.34 116.25 118.80 2qow h VAL 34 Ca 0.54 -0.02 0.06 0.00 0.82 0.00 0.00 66.70 68.09 2qow h VAL 34 Cb 1.13 0.89 -0.05 0.00 -1.52 0.00 0.00 31.29 31.74 2qow h VAL 34 CO -0.28 0.01 0.09 0.22 0.02 0.00 0.00 177.57 177.63 2qow h TYR 35 N 0.06 0.16 -0.23 1.57 3.20 -0.62 -0.57 116.97 120.54 2qow h TYR 35 Ca 0.05 0.02 0.03 0.00 3.14 0.00 0.00 58.73 61.97 2qow h TYR 35 Cb 0.04 -0.01 -0.03 0.00 1.54 0.00 0.00 36.73 38.27 2qow h TYR 35 CO -0.11 0.04 0.05 0.00 -1.64 0.00 0.00 178.16 176.49 2qow h ALA 36 N 1.28 0.24 -0.39 1.82 0.00 -0.69 1.24 119.26 122.75 2qow h ALA 36 Ca 0.18 0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.17 2qow h ALA 36 Cb 0.20 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 2qow h ALA 36 CO -0.23 -0.37 0.16 0.00 0.00 0.00 0.00 179.25 178.81 2qow h ALA 37 N 1.17 0.47 -0.09 0.00 0.00 -0.41 0.46 119.26 120.86 2qow h ALA 37 Ca 0.11 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 2qow h ALA 37 Cb 0.10 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2qow h ALA 37 CO -0.14 -0.22 -0.18 0.82 0.00 0.00 0.00 179.25 179.54 2qow h ILE 38 N 0.34 1.40 -0.79 0.00 1.08 -0.70 0.12 117.51 118.96 2qow h ILE 38 Ca 0.17 -1.47 -0.02 0.00 -0.39 0.00 0.00 64.86 63.15 2qow h ILE 38 Cb 0.12 2.15 -0.04 0.00 -3.07 0.00 0.00 36.82 35.99 2qow h ILE 38 CO -0.15 0.42 0.41 -0.08 -0.69 0.00 0.00 178.15 178.06 2qow h GLU 39 N -0.19 1.11 -0.01 2.37 4.22 0.17 -1.84 114.58 120.42 2qow h GLU 39 Ca 0.00 -0.14 0.00 0.00 0.08 0.00 0.00 59.36 59.31 2qow h GLU 39 Cb 0.76 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.80 2qow h GLU 39 CO 0.04 0.83 -0.26 0.00 -2.18 0.00 0.00 179.01 177.44 2qow n ALA 40 N -2.42 3.08 -0.99 2.92 0.00 0.16 -5.03 120.51 118.22 2qow n ALA 40 Ca 0.08 -0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.10 2qow n ALA 40 Cb 0.11 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 18.45 2qow n ALA 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qow n GLY 41 N 1.34 -3.86 0.00 0.00 0.00 0.34 -5.02 105.19 97.98 2qow n GLY 41 Ca 0.12 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.56 2qow n GLY 41 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2qow n ASP 42 N 0.41 0.00 -0.41 1.61 -0.08 -0.73 -4.89 116.55 112.46 2qow n ASP 42 Ca 0.00 0.00 0.39 0.00 -1.51 0.00 0.00 54.79 53.67 2qow n ASP 42 Cb 0.00 0.00 0.76 0.00 2.34 0.00 0.00 41.12 44.22 2qow n ASP 42 CO 0.00 0.00 0.00 0.07 0.12 0.00 0.00 177.20 177.39 2qow h LYS 43 N 0.00 0.02 0.04 -0.67 -0.00 -1.87 -0.94 116.57 113.15 2qow h LYS 43 Ca 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 60.65 60.65 2qow h LYS 43 Cb 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 32.23 32.23 2qow h LYS 43 CO 0.00 0.01 -0.02 0.00 -0.00 0.00 0.00 179.45 179.44 2qow h ALA 44 N 1.33 -0.17 -0.98 0.07 0.00 -1.95 -3.24 119.26 114.32 2qow h ALA 44 Ca 0.66 -0.01 0.33 0.00 0.00 0.00 0.00 54.91 55.88 2qow h ALA 44 Cb 2.58 0.02 -0.16 0.00 0.00 0.00 0.00 17.79 20.23 2qow h ALA 44 CO -0.03 -0.17 0.46 0.00 0.00 0.00 0.00 179.25 179.52 2qow h ALA 45 N -1.77 1.83 -2.68 0.00 0.00 -1.81 0.23 119.26 115.06 2qow h ALA 45 Ca -0.01 0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.13 2qow h ALA 45 Cb 0.04 0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2qow h ALA 45 CO 0.01 -0.65 0.00 0.00 0.00 0.00 0.00 179.25 178.61 2qow n ALA 46 N -2.42 -0.04 -0.26 0.00 0.00 -0.40 0.14 120.51 117.53 2qow n ALA 46 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.75 2qow n ALA 46 Cb 0.99 0.08 0.07 0.00 0.00 0.00 0.00 19.45 20.59 2qow n ALA 46 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2qow h GLN 47 N 0.00 -0.03 -0.12 0.00 1.08 -1.48 0.65 115.11 115.21 2qow h GLN 47 Ca 0.00 0.00 0.04 0.00 -1.45 0.00 0.00 58.65 57.24 2qow h GLN 47 Cb 0.00 0.01 -0.06 0.00 -0.05 0.00 0.00 27.48 27.37 2qow h GLN 47 CO 0.00 -0.02 -0.44 -0.22 -0.95 0.00 0.00 178.83 177.20 2qow h LYS 48 N -0.03 -0.50 0.00 1.46 1.63 -0.47 -1.47 116.57 117.19 2qow h LYS 48 Ca 0.34 0.03 -0.07 0.00 -0.85 0.00 0.00 60.65 60.10 2qow h LYS 48 Cb 0.55 0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 32.29 2qow h LYS 48 CO -0.77 -0.33 -0.33 0.00 -3.45 0.00 0.00 179.45 174.56 2qow h ALA 49 N 0.03 1.43 -1.76 5.00 0.00 0.27 -2.47 119.26 121.76 2qow h ALA 49 Ca 0.07 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2qow h ALA 49 Cb 0.64 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.38 2qow h ALA 49 CO -0.40 0.42 0.00 0.34 0.00 0.00 0.00 179.25 179.61 2qow n PHE 50 N -4.12 0.00 0.21 0.00 -0.00 0.21 -2.20 117.46 111.56 2qow n PHE 50 Ca -0.02 0.00 0.10 0.00 -0.00 0.00 0.00 57.45 57.53 2qow n PHE 50 Cb 0.38 -0.21 0.55 0.00 -0.00 0.00 0.00 39.48 40.20 2qow n PHE 50 CO 0.00 0.00 0.00 -2.95 -0.00 0.00 0.00 176.76 173.81 2qow h ASN 51 N 0.00 0.00 0.36 -2.13 7.08 -1.52 0.55 115.58 119.92 2qow h ASN 51 Ca 0.00 0.00 -0.07 0.00 -3.08 0.00 0.00 56.30 53.15 2qow h ASN 51 Cb 0.00 0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 36.23 2qow h ASN 51 CO 0.00 0.00 -0.32 -0.08 -2.08 0.00 0.00 177.43 174.95 2qow h GLU 52 N 0.00 0.00 0.00 4.14 4.81 -0.95 -3.23 114.58 119.35 2qow h GLU 52 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2qow h GLU 52 Cb 0.44 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.82 2qow h GLU 52 CO 0.00 0.32 -0.58 0.00 -0.73 0.00 0.00 179.01 178.01 2qow n MET 53 N -4.08 3.34 -0.36 1.92 0.00 0.16 -4.69 117.12 113.41 2qow n MET 53 Ca -0.02 -0.01 0.05 0.00 0.00 0.00 0.00 57.70 57.72 2qow n MET 53 Cb 0.37 -0.83 0.13 0.00 0.00 0.00 0.00 33.22 32.89 2qow n MET 53 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 175.97 176.91 2qow n GLN 54 N -1.31 -0.10 -0.00 3.17 7.27 0.54 0.38 117.38 127.33 2qow n GLN 54 Ca 0.00 1.55 -0.12 0.00 0.07 0.00 0.00 57.00 58.50 2qow n GLN 54 Cb 0.05 -2.31 0.01 0.00 2.41 0.00 0.00 30.24 30.40 2qow n GLN 54 CO 0.00 0.00 0.00 -1.00 0.07 0.00 0.00 177.06 176.13 2qow h PRO 55 N 0.00 0.63 -0.14 3.69 0.13 -1.85 -2.91 132.00 131.55 2qow h PRO 55 Ca 0.47 -0.45 0.05 0.00 -0.87 0.00 0.00 66.00 65.20 2qow h PRO 55 Cb 0.72 0.07 -0.06 0.00 0.13 0.00 0.00 31.00 31.86 2qow h PRO 55 CO -1.02 1.07 -0.30 0.82 -0.23 0.00 0.00 178.00 178.34 2qow h ILE 56 N 0.46 0.32 0.34 -3.56 2.04 -0.35 -0.18 117.51 116.58 2qow h ILE 56 Ca -0.01 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.83 2qow h ILE 56 Cb 1.22 0.32 0.00 0.00 -0.74 0.00 0.00 36.82 37.63 2qow h ILE 56 CO 0.12 0.00 -0.17 -0.37 0.00 0.00 0.00 178.15 177.74 2qow h VAL 57 N -0.37 0.67 -0.21 1.67 -1.51 -1.18 -0.94 116.25 114.40 2qow h VAL 57 Ca 0.10 -0.16 0.03 0.00 -1.23 0.00 0.00 66.70 65.44 2qow h VAL 57 Cb 0.52 0.76 -0.06 0.00 -2.13 0.00 0.00 31.29 30.38 2qow h VAL 57 CO -0.35 0.03 -0.49 0.44 -1.23 0.00 0.00 177.57 175.98 2qow h ASP 58 N -0.55 -1.58 0.06 4.19 3.32 -1.29 0.45 116.42 121.02 2qow h ASP 58 Ca -0.05 0.19 0.01 0.00 0.02 0.00 0.00 57.03 57.21 2qow h ASP 58 Cb 0.41 0.63 -0.03 0.00 0.22 0.00 0.00 39.33 40.56 2qow h ASP 58 CO 0.08 -0.41 -0.32 -0.09 -1.72 0.00 0.00 179.24 176.78 2qow h ARG 59 N -0.46 -0.43 -1.08 3.56 2.43 -1.04 1.30 114.38 118.66 2qow h ARG 59 Ca 0.04 0.03 0.29 0.00 -0.81 0.00 0.00 59.98 59.53 2qow h ARG 59 Cb 0.58 0.10 -0.10 0.00 -0.42 0.00 0.00 29.97 30.13 2qow h ARG 59 CO -0.44 -0.29 0.69 1.96 -1.51 0.00 0.00 179.97 180.39 2qow h GLN 60 N -0.45 0.33 0.04 0.20 1.08 -0.86 -1.22 115.11 114.24 2qow h GLN 60 Ca -0.00 -0.02 -0.09 0.00 -1.45 0.00 0.00 58.65 57.09 2qow h GLN 60 Cb 0.45 -0.07 0.00 0.00 -0.05 0.00 0.00 27.48 27.81 2qow h GLN 60 CO -0.18 0.22 -0.44 0.00 -0.95 0.00 0.00 178.83 177.48 2qow h ALA 61 N 1.62 0.02 0.00 3.87 0.00 0.65 -3.30 119.26 122.12 2qow h ALA 61 Ca 0.63 -0.67 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2qow h ALA 61 Cb 1.67 0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.60 2qow h ALA 61 CO -0.31 0.23 0.44 0.00 0.00 0.00 0.00 179.25 179.61 2qow h ALA 62 N -0.04 1.41 -1.38 0.00 0.00 0.28 -0.31 119.26 119.23 2qow h ALA 62 Ca -0.09 0.00 -0.61 0.00 0.00 0.00 0.00 54.91 54.20 2qow h ALA 62 Cb 1.24 0.00 -0.40 0.00 0.00 0.00 0.00 17.79 18.64 2qow h ALA 62 CO 0.02 -0.41 -0.45 1.63 0.00 0.00 0.00 179.25 180.03 2qow n LYS 63 N -2.58 3.34 -0.14 0.00 4.76 -0.82 -4.96 118.16 117.76 2qow n LYS 63 Ca -0.01 -4.32 0.02 0.00 -2.87 0.00 0.00 58.31 51.12 2qow n LYS 63 Cb 0.48 -2.26 -0.00 0.00 -1.84 0.00 0.00 35.03 31.40 2qow n LYS 63 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2qow n GLY 64 N -0.51 -1.99 4.58 0.72 0.00 -0.49 -4.86 105.19 102.63 2qow n GLY 64 Ca 0.42 -1.38 0.00 0.00 0.00 0.00 0.00 46.02 45.05 2qow n GLY 64 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2qow n LEU 65 N 0.00 0.00 0.00 0.99 7.94 -1.26 -4.01 117.00 120.66 2qow n LEU 65 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 2qow n LEU 65 Cb 0.06 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.01 2qow n LEU 65 CO 0.00 0.00 0.00 -0.38 -1.11 0.00 0.00 177.39 175.90 2qow n ILE 66 N -0.50 0.00 -2.35 1.96 -0.00 -1.26 -5.04 119.36 112.17 2qow n ILE 66 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.75 2qow n ILE 66 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.64 39.64 2qow n ILE 66 CO 0.00 0.00 0.00 1.57 -0.00 0.00 0.00 176.55 178.12 2qow n HIS 67 N -1.06 -0.18 -2.58 1.39 -0.00 -0.25 -4.85 115.22 107.69 2qow n HIS 67 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 2qow n HIS 67 Cb 0.00 0.06 0.00 0.00 -0.12 0.00 0.00 29.99 29.93 2qow n HIS 67 CO 0.00 0.00 0.00 1.63 0.46 0.00 0.00 176.34 178.43 2qow n LYS 68 N 0.00 0.00 0.13 1.57 4.76 -1.26 -3.39 118.16 119.97 2qow n LYS 68 Ca 0.00 0.00 0.13 0.00 -2.87 0.00 0.00 58.31 55.57 2qow n LYS 68 Cb 0.00 0.00 0.40 0.00 -1.84 0.00 0.00 35.03 33.59 2qow n LYS 68 CO 0.00 0.00 0.00 -0.91 -1.37 0.00 0.00 177.40 175.12 2qow h ASN 69 N 0.00 0.00 0.00 4.39 2.35 -2.00 -3.40 115.58 116.92 2qow h ASN 69 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2qow h ASN 69 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 2qow h ASN 69 CO 0.00 0.00 0.00 1.17 -1.65 0.00 0.00 177.43 176.95 2qow n LYS 70 N -2.42 0.00 -0.31 0.81 4.81 -1.22 0.13 118.16 119.97 2qow n LYS 70 Ca 0.04 0.41 0.14 0.00 -0.87 0.00 0.00 58.31 58.03 2qow n LYS 70 Cb 0.40 -0.88 0.31 0.00 0.02 0.00 0.00 35.03 34.88 2qow n LYS 70 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2qow h ALA 71 N -2.04 1.31 -0.43 3.14 0.00 -1.77 0.22 119.26 119.68 2qow h ALA 71 Ca 0.00 0.25 0.07 0.00 0.00 0.00 0.00 54.91 55.23 2qow h ALA 71 Cb 0.00 0.38 -0.06 0.00 0.00 0.00 0.00 17.79 18.11 2qow h ALA 71 CO 0.00 -0.52 0.09 0.00 0.00 0.00 0.00 179.25 178.82 2qow h ALA 72 N 1.84 0.48 -0.78 0.00 0.00 -1.27 -1.93 119.26 117.59 2qow h ALA 72 Ca 0.58 0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.60 2qow h ALA 72 Cb 1.21 0.11 -0.05 0.00 0.00 0.00 0.00 17.79 19.06 2qow h ALA 72 CO -0.72 -0.31 0.50 0.07 0.00 0.00 0.00 179.25 178.80 2qow h ARG 73 N 0.23 0.97 -0.04 0.00 0.11 0.44 -1.67 114.38 114.41 2qow h ARG 73 Ca 0.21 -0.06 0.02 0.00 0.10 0.00 0.00 59.98 60.25 2qow h ARG 73 Cb 0.26 -0.22 -0.05 0.00 1.11 0.00 0.00 29.97 31.07 2qow h ARG 73 CO -0.27 0.64 -0.46 0.45 0.10 0.00 0.00 179.97 180.43 2qow h HIS 74 N 0.99 -1.35 -0.35 4.08 3.86 -0.89 -1.82 115.15 119.67 2qow h HIS 74 Ca 0.31 0.05 0.05 0.00 -1.16 0.00 0.00 60.37 59.61 2qow h HIS 74 Cb -0.02 0.60 -0.08 0.00 1.06 0.00 0.00 27.41 28.97 2qow h HIS 74 CO -0.03 -0.48 -0.53 0.87 0.86 0.00 0.00 177.93 178.62 2qow h LYS 75 N -0.55 -0.41 0.00 2.45 1.57 -1.13 -1.48 116.57 117.03 2qow h LYS 75 Ca 0.02 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 2qow h LYS 75 Cb 0.60 0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.00 2qow h LYS 75 CO -0.33 -0.27 0.00 0.00 -0.57 0.00 0.00 179.45 178.28 2qow n ALA 76 N -3.07 -0.04 -0.25 3.86 0.00 -0.66 -1.34 120.51 119.02 2qow n ALA 76 Ca -0.03 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.55 2qow n ALA 76 Cb 0.35 0.45 0.43 0.00 0.00 0.00 0.00 19.45 20.68 2qow n ALA 76 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 177.50 174.55 2qow h ASN 77 N 0.00 0.56 -0.12 0.00 7.08 -1.24 -2.53 115.58 119.32 2qow h ASN 77 Ca 0.00 0.04 0.04 0.00 -3.08 0.00 0.00 56.30 53.30 2qow h ASN 77 Cb 0.00 -0.07 -0.07 0.00 -2.08 0.00 0.00 38.32 36.10 2qow h ASN 77 CO 0.00 0.27 -0.47 -0.07 -2.08 0.00 0.00 177.43 175.08 2qow h LEU 78 N 0.59 -1.48 -0.16 6.14 3.38 -0.10 -0.01 115.31 123.66 2qow h LEU 78 Ca 0.44 0.19 0.05 0.00 0.09 0.00 0.00 57.88 58.65 2qow h LEU 78 Cb 0.84 0.59 -0.07 0.00 0.09 0.00 0.00 40.66 42.11 2qow h LEU 78 CO -0.19 -0.46 -0.34 0.74 0.09 0.00 0.00 178.44 178.28 2qow h THR 79 N -0.54 0.25 -0.69 0.22 2.02 -1.09 0.17 112.91 113.25 2qow h THR 79 Ca 0.06 0.00 0.19 0.00 0.77 0.00 0.00 66.41 67.43 2qow h THR 79 Cb 0.66 0.25 -0.03 0.00 -1.74 0.00 0.00 68.15 67.29 2qow h THR 79 CO -0.41 0.00 0.49 0.00 0.37 0.00 0.00 175.52 175.97 2qow h ALA 80 N 0.40 2.55 0.05 6.16 0.00 -1.40 0.35 119.26 127.36 2qow h ALA 80 Ca 0.10 -0.02 -0.26 0.00 0.00 0.00 0.00 54.91 54.73 2qow h ALA 80 Cb 0.56 0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.40 2qow h ALA 80 CO -0.38 -0.75 -1.08 1.96 0.00 0.00 0.00 179.25 179.00 2qow h GLN 81 N 0.07 0.52 0.00 0.00 1.08 0.12 -1.55 115.11 115.35 2qow h GLN 81 Ca 0.33 -0.63 0.00 0.00 -1.45 0.00 0.00 58.65 56.91 2qow h GLN 81 Cb 1.22 0.19 0.00 0.00 -0.05 0.00 0.00 27.48 28.84 2qow h GLN 81 CO -0.03 1.24 -0.05 0.44 -0.95 0.00 0.00 178.83 179.49 2qow n ILE 82 N -3.76 0.37 -0.02 2.54 -6.64 0.23 -3.36 119.36 108.72 2qow n ILE 82 Ca -0.10 -0.18 -0.15 0.00 -1.77 0.00 0.00 62.75 60.55 2qow n ILE 82 Cb 0.91 -0.51 -0.14 0.00 -1.44 0.00 0.00 39.64 38.46 2qow n ILE 82 CO 0.00 0.00 0.00 0.59 -1.77 0.00 0.00 176.55 175.37 2qow n ASN 83 N -1.98 1.48 -1.67 7.28 3.02 0.10 -3.13 115.26 120.36 2qow n ASN 83 Ca 0.06 0.26 -0.02 0.00 -0.03 0.00 0.00 54.58 54.85 2qow n ASN 83 Cb 0.40 -0.40 -0.03 0.00 -0.61 0.00 0.00 39.78 39.14 2qow n ASN 83 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2qow n LYS 84 N -3.25 1.10 0.01 3.52 4.76 -0.59 -3.98 118.16 119.74 2qow n LYS 84 Ca -0.27 -0.20 0.00 0.00 -2.87 0.00 0.00 58.31 54.97 2qow n LYS 84 Cb 1.05 -1.25 0.00 0.00 -1.84 0.00 0.00 35.03 32.99 2qow n LYS 84 CO 0.00 0.00 0.00 1.47 -1.37 0.00 0.00 177.40 177.50 2qow n LEU 85 N 1.78 -0.19 0.00 -0.35 -0.00 -1.26 -5.02 117.00 111.96 2qow n LEU 85 Ca 0.09 0.19 0.00 0.00 -0.00 0.00 0.00 56.01 56.29 2qow n LEU 85 Cb 0.53 0.37 0.00 0.00 -0.00 0.00 0.00 43.42 44.32 2qow n LEU 85 CO 0.03 -0.02 0.00 0.00 -0.00 0.00 0.00 177.39 177.40