#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbj n ILE 3 N 0.00 0.04 0.00 -1.44 5.41 -1.26 -4.55 119.36 117.55 2qbj n ILE 3 Ca 0.00 -0.37 0.00 0.00 1.00 0.00 0.00 62.75 63.38 2qbj n ILE 3 Cb 0.00 -1.71 0.00 0.00 -0.71 0.00 0.00 39.64 37.22 2qbj n ILE 3 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 2qbj n LYS 4 N 8.57 0.00 0.27 0.38 0.00 -1.26 -4.99 118.16 121.13 2qbj n LYS 4 Ca 0.47 0.00 0.18 0.00 0.00 0.00 0.00 58.31 58.96 2qbj n LYS 4 Cb 0.28 0.00 0.94 0.00 0.00 0.00 0.00 35.03 36.25 2qbj n LYS 4 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 2qbj h SER 5 N 0.00 0.00 -0.70 3.14 4.64 -2.05 -1.58 113.55 117.00 2qbj h SER 5 Ca 0.00 0.00 0.20 0.00 -0.47 0.00 0.00 61.79 61.52 2qbj h SER 5 Cb 0.00 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.06 2qbj h SER 5 CO 0.00 0.00 0.59 0.00 -0.87 0.00 0.00 176.83 176.55 2qbj h ALA 6 N 1.73 2.56 -0.91 5.18 0.00 -1.94 -1.59 119.26 124.29 2qbj h ALA 6 Ca 0.04 -0.02 0.18 0.00 0.00 0.00 0.00 54.91 55.11 2qbj h ALA 6 Cb 0.40 0.05 -0.17 0.00 0.00 0.00 0.00 17.79 18.07 2qbj h ALA 6 CO -0.00 -0.95 -0.24 -0.22 0.00 0.00 0.00 179.25 177.84 2qbj h LYS 7 N 0.00 -0.00 -0.49 0.00 3.64 -1.52 0.71 116.57 118.90 2qbj h LYS 7 Ca 0.33 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.64 2qbj h LYS 7 Cb 1.52 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.32 2qbj h LYS 7 CO -0.00 -0.00 0.01 -0.22 -2.27 0.00 0.00 179.45 176.97 2qbj h LYS 8 N -0.00 0.85 -0.46 1.90 3.64 -1.54 -3.00 116.57 117.95 2qbj h LYS 8 Ca 0.43 -0.27 0.08 0.00 -1.27 0.00 0.00 60.65 59.62 2qbj h LYS 8 Cb 0.66 -0.08 -0.06 0.00 -0.41 0.00 0.00 32.23 32.34 2qbj h LYS 8 CO -0.94 0.89 0.10 -0.09 -2.27 0.00 0.00 179.45 177.14 2qbj h ARG 9 N 0.71 0.23 -0.64 1.90 9.65 0.17 0.21 114.38 126.60 2qbj h ARG 9 Ca 0.14 -0.01 0.12 0.00 -1.10 0.00 0.00 59.98 59.13 2qbj h ARG 9 Cb 0.50 -0.05 -0.09 0.00 -1.39 0.00 0.00 29.97 28.93 2qbj h ARG 9 CO 0.02 0.15 0.16 0.00 2.80 0.00 0.00 179.97 183.10 2qbj h ALA 10 N 1.35 0.79 -0.15 2.80 0.00 -0.47 0.15 119.26 123.73 2qbj h ALA 10 Ca 0.23 0.13 -0.22 0.00 0.00 0.00 0.00 54.91 55.05 2qbj h ALA 10 Cb 0.29 0.17 0.01 0.00 0.00 0.00 0.00 17.79 18.26 2qbj h ALA 10 CO -0.30 -0.29 -0.78 0.82 0.00 0.00 0.00 179.25 178.70 2qbj h ILE 11 N 0.29 1.28 -0.83 0.00 2.04 -1.31 -1.71 117.51 117.28 2qbj h ILE 11 Ca 0.34 -1.99 0.05 0.00 1.00 0.00 0.00 64.86 64.26 2qbj h ILE 11 Cb 0.52 1.99 -0.05 0.00 -0.74 0.00 0.00 36.82 38.54 2qbj h ILE 11 CO -0.42 0.63 0.52 -0.61 0.00 0.00 0.00 178.15 178.27 2qbj h GLN 12 N 0.52 0.95 0.00 2.37 4.15 0.36 -0.82 115.11 122.65 2qbj h GLN 12 Ca -0.05 -0.06 -0.00 0.00 0.77 0.00 0.00 58.65 59.31 2qbj h GLN 12 Cb 1.41 -0.21 0.00 0.00 0.21 0.00 0.00 27.48 28.88 2qbj h GLN 12 CO 0.16 0.63 -0.00 1.03 -1.93 0.00 0.00 178.83 178.71 2qbj h SER 13 N 0.98 -0.00 -0.02 -0.69 0.87 -0.73 -2.76 113.55 111.19 2qbj h SER 13 Ca 0.34 -0.59 0.03 0.00 -1.23 0.00 0.00 61.79 60.35 2qbj h SER 13 Cb 0.09 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 61.99 2qbj h SER 13 CO -0.14 0.59 -0.36 -0.08 -0.53 0.00 0.00 176.83 176.30 2qbj h GLU 14 N -0.60 -0.49 -0.83 2.24 4.22 -1.07 0.12 114.58 118.17 2qbj h GLU 14 Ca -0.00 0.03 0.06 0.00 0.08 0.00 0.00 59.36 59.54 2qbj h GLU 14 Cb 0.59 0.11 -0.06 0.00 0.50 0.00 0.00 28.75 29.89 2qbj h GLU 14 CO 0.00 -0.32 0.51 0.87 -2.18 0.00 0.00 179.01 177.88 2qbj h LYS 15 N -0.50 0.89 -0.97 1.92 1.79 -1.27 -1.16 116.57 117.27 2qbj h LYS 15 Ca 0.06 -0.05 0.01 0.00 -2.18 0.00 0.00 60.65 58.48 2qbj h LYS 15 Cb 0.60 -0.20 -0.05 0.00 -1.58 0.00 0.00 32.23 31.00 2qbj h LYS 15 CO -0.30 0.59 0.63 0.00 -1.08 0.00 0.00 179.45 179.29 2qbj h ALA 16 N 1.40 1.24 0.01 3.86 0.00 -1.04 -2.86 119.26 121.86 2qbj h ALA 16 Ca 0.36 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.23 2qbj h ALA 16 Cb 0.18 -0.39 -0.05 0.00 0.00 0.00 0.00 17.79 17.53 2qbj h ALA 16 CO -0.18 0.65 -0.34 -0.09 0.00 0.00 0.00 179.25 179.29 2qbj h ARG 17 N 1.33 -0.48 -0.83 0.00 1.12 0.49 -1.28 114.38 114.72 2qbj h ARG 17 Ca 0.35 0.03 0.21 0.00 -1.11 0.00 0.00 59.98 59.46 2qbj h ARG 17 Cb -0.13 0.11 -0.14 0.00 -0.01 0.00 0.00 29.97 29.80 2qbj h ARG 17 CO -0.07 -0.32 0.07 0.87 -3.11 0.00 0.00 179.97 177.41 2qbj h LYS 18 N -0.50 0.12 -0.02 0.20 1.57 -1.27 0.22 116.57 116.87 2qbj h LYS 18 Ca 0.06 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.83 2qbj h LYS 18 Cb 0.58 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.87 2qbj h LYS 18 CO -0.27 0.08 0.02 1.25 -0.57 0.00 0.00 179.45 179.95 2qbj h HIS 19 N 0.12 0.03 -0.15 -1.35 2.76 -1.28 -2.35 115.15 112.93 2qbj h HIS 19 Ca 0.48 0.00 0.05 0.00 -2.20 0.00 0.00 60.37 58.70 2qbj h HIS 19 Cb 0.92 -0.01 -0.05 0.00 1.55 0.00 0.00 27.41 29.81 2qbj h HIS 19 CO -0.39 0.05 -0.20 -0.91 -1.30 0.00 0.00 177.93 175.18 2qbj h ASN 20 N 0.01 -0.61 -0.07 3.26 4.21 0.42 -1.77 115.58 121.02 2qbj h ASN 20 Ca 0.01 0.11 0.02 0.00 1.21 0.00 0.00 56.30 57.65 2qbj h ASN 20 Cb 0.03 0.28 -0.04 0.00 -1.12 0.00 0.00 38.32 37.47 2qbj h ASN 20 CO -0.00 -0.25 -0.37 0.00 -1.29 0.00 0.00 177.43 175.53 2qbj h ALA 21 N 0.78 -0.76 -0.61 -0.83 0.00 -0.75 0.69 119.26 117.77 2qbj h ALA 21 Ca 0.10 -0.04 0.12 0.00 0.00 0.00 0.00 54.91 55.09 2qbj h ALA 21 Cb 0.40 0.85 -0.12 0.00 0.00 0.00 0.00 17.79 18.92 2qbj h ALA 21 CO -0.29 -0.89 -0.27 0.66 0.00 0.00 0.00 179.25 178.47 2qbj h SER 22 N -0.41 -0.94 -0.65 0.00 4.64 -1.26 0.71 113.55 115.65 2qbj h SER 22 Ca 0.02 0.22 0.01 0.00 -0.47 0.00 0.00 61.79 61.56 2qbj h SER 22 Cb 0.47 0.51 -0.03 0.00 -0.31 0.00 0.00 62.40 63.03 2qbj h SER 22 CO -0.28 -0.27 0.43 0.03 -0.87 0.00 0.00 176.83 175.86 2qbj h ARG 23 N -0.10 0.85 0.93 4.77 2.47 -0.76 -2.35 114.38 120.19 2qbj h ARG 23 Ca 0.27 -0.05 -0.05 0.00 -1.26 0.00 0.00 59.98 58.89 2qbj h ARG 23 Cb 0.53 -0.19 0.01 0.00 -1.65 0.00 0.00 29.97 28.67 2qbj h ARG 23 CO -0.68 0.57 -0.45 -0.09 0.56 0.00 0.00 179.97 179.88 2qbj h ARG 24 N 0.88 -1.21 -0.83 0.04 2.43 0.30 -2.44 114.38 113.55 2qbj h ARG 24 Ca 0.24 0.08 0.14 0.00 -0.81 0.00 0.00 59.98 59.63 2qbj h ARG 24 Cb -0.10 0.27 -0.15 0.00 -0.42 0.00 0.00 29.97 29.58 2qbj h ARG 24 CO -0.05 -0.81 -0.33 0.77 -1.51 0.00 0.00 179.97 178.05 2qbj h SER 25 N -1.34 -1.18 0.04 -3.80 0.02 0.37 0.76 113.55 108.44 2qbj h SER 25 Ca -0.13 0.27 0.02 0.00 -0.84 0.00 0.00 61.79 61.11 2qbj h SER 25 Cb 0.96 0.64 -0.03 0.00 0.14 0.00 0.00 62.40 64.11 2qbj h SER 25 CO 0.21 -0.29 -0.20 -0.03 -1.14 0.00 0.00 176.83 175.38 2qbj h MET 26 N -0.05 -0.33 -0.77 3.45 1.85 -1.40 -0.92 114.93 116.75 2qbj h MET 26 Ca 0.33 0.02 0.07 0.00 -0.61 0.00 0.00 59.70 59.51 2qbj h MET 26 Cb 0.59 0.08 -0.06 0.00 0.43 0.00 0.00 31.60 32.64 2qbj h MET 26 CO -0.86 -0.22 0.45 1.98 -0.40 0.00 0.00 176.91 177.85 2qbj h MET 27 N -0.35 0.78 0.47 0.39 -1.53 -0.68 -2.43 114.93 111.59 2qbj h MET 27 Ca 0.05 -0.05 -0.01 0.00 -3.44 0.00 0.00 59.70 56.25 2qbj h MET 27 Cb 0.40 -0.18 -0.02 0.00 -0.55 0.00 0.00 31.60 31.26 2qbj h MET 27 CO -0.16 0.52 -0.39 0.00 0.14 0.00 0.00 176.91 177.02 2qbj h ARG 28 N 0.81 -0.82 -0.69 0.39 2.47 -0.36 -2.92 114.38 113.25 2qbj h ARG 28 Ca 0.35 0.06 0.12 0.00 -1.26 0.00 0.00 59.98 59.25 2qbj h ARG 28 Cb 0.22 0.19 -0.09 0.00 -1.65 0.00 0.00 29.97 28.64 2qbj h ARG 28 CO -0.19 -0.55 0.25 1.79 0.56 0.00 0.00 179.97 181.82 2qbj h THR 29 N -0.86 0.68 -0.66 2.04 1.35 -0.90 -0.69 112.91 113.86 2qbj h THR 29 Ca -0.05 -0.14 0.06 0.00 -0.55 0.00 0.00 66.41 65.74 2qbj h THR 29 Cb 0.74 0.24 -0.04 0.00 -1.73 0.00 0.00 68.15 67.36 2qbj h THR 29 CO -0.02 0.07 0.44 -0.26 -0.25 0.00 0.00 175.52 175.50 2qbj h PHE 30 N 0.40 0.67 -0.40 4.73 -1.00 -1.34 -1.91 116.94 118.09 2qbj h PHE 30 Ca 0.37 0.02 -0.13 0.00 2.81 0.00 0.00 57.97 61.03 2qbj h PHE 30 Cb 0.54 -0.22 -0.01 0.00 3.61 0.00 0.00 35.95 39.86 2qbj h PHE 30 CO -0.19 0.36 -0.28 0.82 -1.61 0.00 0.00 178.31 177.42 2qbj h ILE 31 N 0.67 1.27 -0.85 -0.55 2.04 -0.95 -3.21 117.51 115.94 2qbj h ILE 31 Ca 0.29 -1.43 -0.01 0.00 1.00 0.00 0.00 64.86 64.70 2qbj h ILE 31 Cb 0.27 1.26 -0.04 0.00 -0.74 0.00 0.00 36.82 37.57 2qbj h ILE 31 CO -0.09 0.48 0.47 0.11 0.00 0.00 0.00 178.15 179.12 2qbj h LYS 32 N 0.73 1.18 -0.74 2.37 1.57 -0.89 -1.95 116.57 118.85 2qbj h LYS 32 Ca 0.09 -0.13 0.13 0.00 -1.87 0.00 0.00 60.65 58.87 2qbj h LYS 32 Cb 0.83 -0.23 -0.05 0.00 0.08 0.00 0.00 32.23 32.86 2qbj h LYS 32 CO 0.07 0.86 0.49 0.87 -0.57 0.00 0.00 179.45 181.17 2qbj h LYS 33 N 1.18 0.45 -0.67 3.15 1.57 -1.51 0.44 116.57 121.18 2qbj h LYS 33 Ca 0.30 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 59.03 2qbj h LYS 33 Cb 0.02 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.20 2qbj h LYS 33 CO -0.05 0.30 0.31 0.28 -0.57 0.00 0.00 179.45 179.72 2qbj h VAL 34 N 0.46 1.22 0.27 0.50 2.07 -1.43 -1.77 116.25 117.57 2qbj h VAL 34 Ca 0.36 -0.62 -0.01 0.00 0.82 0.00 0.00 66.70 67.24 2qbj h VAL 34 Cb 0.74 0.37 0.00 0.00 -1.52 0.00 0.00 31.29 30.88 2qbj h VAL 34 CO -0.12 0.26 -0.13 0.22 0.02 0.00 0.00 177.57 177.82 2qbj h TYR 35 N 0.95 -0.34 -0.52 1.57 3.20 -0.14 -2.57 116.97 119.12 2qbj h TYR 35 Ca 0.23 -0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.16 2qbj h TYR 35 Cb 0.11 0.11 -0.09 0.00 1.54 0.00 0.00 36.73 38.40 2qbj h TYR 35 CO 0.01 0.02 -0.53 0.00 -1.64 0.00 0.00 178.16 176.02 2qbj h ALA 36 N -0.37 -0.65 -0.96 1.82 0.00 -0.81 0.77 119.26 119.06 2qbj h ALA 36 Ca -0.04 0.04 0.14 0.00 0.00 0.00 0.00 54.91 55.05 2qbj h ALA 36 Cb 0.51 1.12 -0.09 0.00 0.00 0.00 0.00 17.79 19.33 2qbj h ALA 36 CO 0.06 -0.99 0.58 0.00 0.00 0.00 0.00 179.25 178.89 2qbj h ALA 37 N 0.17 1.48 0.13 0.00 0.00 -1.42 0.94 119.26 120.56 2qbj h ALA 37 Ca 0.11 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 2qbj h ALA 37 Cb 0.57 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2qbj h ALA 37 CO -0.66 0.08 -0.06 0.82 0.00 0.00 0.00 179.25 179.43 2qbj h ILE 38 N 0.85 0.97 -0.11 0.00 1.08 -0.13 -1.86 117.51 118.32 2qbj h ILE 38 Ca 0.50 -0.43 -0.10 0.00 -0.39 0.00 0.00 64.86 64.44 2qbj h ILE 38 Cb 0.62 1.24 -0.01 0.00 -3.07 0.00 0.00 36.82 35.60 2qbj h ILE 38 CO -0.31 0.10 -0.39 -0.08 -0.69 0.00 0.00 178.15 176.78 2qbj h GLU 39 N -0.38 0.23 -0.00 2.37 4.22 0.12 -2.37 114.58 118.77 2qbj h GLU 39 Ca -0.02 -0.10 0.00 0.00 0.08 0.00 0.00 59.36 59.32 2qbj h GLU 39 Cb 0.30 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.55 2qbj h GLU 39 CO 0.03 0.59 0.00 0.00 -2.18 0.00 0.00 179.01 177.44 2qbj n ALA 40 N -2.47 2.67 -2.45 2.92 0.00 0.32 -4.97 120.51 116.52 2qbj n ALA 40 Ca -0.01 -0.23 -0.00 0.00 0.00 0.00 0.00 53.44 53.19 2qbj n ALA 40 Cb 0.46 -1.45 -0.00 0.00 0.00 0.00 0.00 19.45 18.45 2qbj n ALA 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qbj n GLY 41 N 1.02 -4.09 2.72 0.00 0.00 -0.75 -5.02 105.19 99.07 2qbj n GLY 41 Ca 0.23 0.40 -0.05 0.00 0.00 0.00 0.00 46.02 46.60 2qbj n GLY 41 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2qbj n ASP 42 N 0.62 -2.42 0.33 1.61 -0.08 -0.91 -5.00 116.55 110.71 2qbj n ASP 42 Ca -0.03 -2.23 0.14 0.00 -1.51 0.00 0.00 54.79 51.16 2qbj n ASP 42 Cb 0.04 1.30 0.71 0.00 2.34 0.00 0.00 41.12 45.52 2qbj n ASP 42 CO 0.00 0.00 0.00 0.07 0.12 0.00 0.00 177.20 177.39 2qbj h LYS 43 N 4.27 0.00 0.08 -0.67 -0.00 -1.92 -0.94 116.57 117.39 2qbj h LYS 43 Ca -0.05 0.00 -0.00 0.00 -0.00 0.00 0.00 60.65 60.60 2qbj h LYS 43 Cb 1.13 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.36 2qbj h LYS 43 CO 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 179.45 179.42 2qbj h ALA 44 N 1.16 -0.54 0.00 0.07 0.00 -1.95 -3.17 119.26 114.84 2qbj h ALA 44 Ca 0.01 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2qbj h ALA 44 Cb 0.86 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.69 2qbj h ALA 44 CO -0.00 -0.53 -0.03 0.00 0.00 0.00 0.00 179.25 178.69 2qbj h ALA 45 N -1.87 1.84 -1.90 0.00 0.00 -1.84 -3.01 119.26 112.47 2qbj h ALA 45 Ca -0.01 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2qbj h ALA 45 Cb 0.08 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2qbj h ALA 45 CO 0.02 0.04 0.00 0.00 0.00 0.00 0.00 179.25 179.30 2qbj n ALA 46 N -2.48 -0.12 -0.32 0.00 0.00 -0.40 -0.23 120.51 116.95 2qbj n ALA 46 Ca -0.03 0.00 0.23 0.00 0.00 0.00 0.00 53.44 53.64 2qbj n ALA 46 Cb 0.11 0.11 0.45 0.00 0.00 0.00 0.00 19.45 20.13 2qbj n ALA 46 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2qbj h GLN 47 N 0.00 0.16 0.17 0.00 4.20 -1.56 -0.82 115.11 117.26 2qbj h GLN 47 Ca 0.00 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.69 2qbj h GLN 47 Cb 0.00 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 27.74 2qbj h GLN 47 CO 0.00 0.11 -0.13 -0.22 -0.67 0.00 0.00 178.83 177.91 2qbj h LYS 48 N 0.17 -0.29 0.00 1.46 3.64 -1.32 -2.05 116.57 118.18 2qbj h LYS 48 Ca 0.72 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 60.12 2qbj h LYS 48 Cb 1.68 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 33.57 2qbj h LYS 48 CO -0.70 -0.19 0.12 0.00 -2.27 0.00 0.00 179.45 176.40 2qbj n ALA 49 N -2.34 0.87 0.02 5.00 0.00 0.68 -2.02 120.51 122.71 2qbj n ALA 49 Ca -0.04 0.15 -0.09 0.00 0.00 0.00 0.00 53.44 53.46 2qbj n ALA 49 Cb 0.13 -1.06 -0.07 0.00 0.00 0.00 0.00 19.45 18.44 2qbj n ALA 49 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 2qbj h PHE 50 N 0.00 -0.14 0.00 0.00 -0.00 -0.50 -3.20 116.94 113.09 2qbj h PHE 50 Ca 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.97 2qbj h PHE 50 Cb 0.24 0.05 0.00 0.00 -0.00 0.00 0.00 35.95 36.23 2qbj h PHE 50 CO 0.00 0.30 0.00 -2.95 -0.00 0.00 0.00 178.31 175.66 2qbj h ASN 51 N -0.92 0.00 0.03 0.41 7.08 -0.91 -0.88 115.58 120.39 2qbj h ASN 51 Ca -0.02 0.00 -0.08 0.00 -3.08 0.00 0.00 56.30 53.12 2qbj h ASN 51 Cb 0.51 0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 36.74 2qbj h ASN 51 CO 0.03 0.00 -0.25 1.05 -2.08 0.00 0.00 177.43 176.18 2qbj h GLU 52 N 0.00 0.36 0.00 4.14 4.11 -1.44 -3.19 114.58 118.56 2qbj h GLU 52 Ca 0.00 -0.13 -0.02 0.00 0.07 0.00 0.00 59.36 59.28 2qbj h GLU 52 Cb 0.34 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.56 2qbj h GLU 52 CO 0.00 0.59 -1.91 0.00 0.07 0.00 0.00 179.01 177.76 2qbj n MET 53 N -4.14 0.61 -0.30 1.06 0.00 -0.82 -4.51 117.12 109.01 2qbj n MET 53 Ca -0.01 -0.17 0.08 0.00 0.00 0.00 0.00 57.70 57.61 2qbj n MET 53 Cb 0.38 -1.46 0.20 0.00 0.00 0.00 0.00 33.22 32.34 2qbj n MET 53 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 175.97 176.34 2qbj h GLN 54 N 0.00 0.05 -0.26 3.17 4.15 -1.17 0.51 115.11 121.56 2qbj h GLN 54 Ca -0.03 -0.00 -0.14 0.00 0.77 0.00 0.00 58.65 59.25 2qbj h GLN 54 Cb 0.96 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.63 2qbj h GLN 54 CO 0.00 0.03 -0.41 -1.00 -1.93 0.00 0.00 178.83 175.52 2qbj h PRO 55 N 0.05 0.64 0.91 -2.39 0.13 -1.80 -2.43 132.00 127.11 2qbj h PRO 55 Ca 0.49 -0.33 -0.04 0.00 -0.87 0.00 0.00 66.00 65.24 2qbj h PRO 55 Cb 0.90 0.01 0.01 0.00 0.13 0.00 0.00 31.00 32.04 2qbj h PRO 55 CO -0.81 0.93 -0.44 0.82 -0.23 0.00 0.00 178.00 178.27 2qbj h ILE 56 N 0.52 0.00 0.04 -3.56 2.04 -0.38 0.38 117.51 116.56 2qbj h ILE 56 Ca 0.04 -0.03 0.03 0.00 1.00 0.00 0.00 64.86 65.90 2qbj h ILE 56 Cb 0.93 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 36.97 2qbj h ILE 56 CO 0.08 0.00 -0.33 -0.37 0.00 0.00 0.00 178.15 177.53 2qbj h VAL 57 N -1.26 0.29 -0.75 1.67 -1.51 -0.74 0.49 116.25 114.45 2qbj h VAL 57 Ca -0.12 0.00 0.10 0.00 -1.23 0.00 0.00 66.70 65.45 2qbj h VAL 57 Cb 0.94 0.29 -0.08 0.00 -2.13 0.00 0.00 31.29 30.30 2qbj h VAL 57 CO 0.20 0.00 0.38 0.44 -1.23 0.00 0.00 177.57 177.36 2qbj h ASP 58 N -0.51 0.49 0.72 4.19 3.32 -1.47 -1.91 116.42 121.24 2qbj h ASP 58 Ca 0.05 0.07 -0.03 0.00 0.02 0.00 0.00 57.03 57.13 2qbj h ASP 58 Cb 0.58 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.12 2qbj h ASP 58 CO -0.25 0.26 -0.39 -0.09 -1.72 0.00 0.00 179.24 177.06 2qbj h ARG 59 N 0.62 -0.98 -1.01 3.56 2.43 -0.16 -2.82 114.38 116.01 2qbj h ARG 59 Ca 0.38 0.07 0.32 0.00 -0.81 0.00 0.00 59.98 59.94 2qbj h ARG 59 Cb 0.43 0.22 -0.15 0.00 -0.42 0.00 0.00 29.97 30.05 2qbj h ARG 59 CO -0.29 -0.66 0.58 1.96 -1.51 0.00 0.00 179.97 180.05 2qbj h GLN 60 N -1.02 0.31 -0.69 0.20 1.08 -0.66 0.84 115.11 115.17 2qbj h GLN 60 Ca -0.10 -0.02 0.06 0.00 -1.45 0.00 0.00 58.65 57.14 2qbj h GLN 60 Cb 0.80 -0.07 -0.04 0.00 -0.05 0.00 0.00 27.48 28.12 2qbj h GLN 60 CO 0.13 0.21 0.46 0.00 -0.95 0.00 0.00 178.83 178.67 2qbj h ALA 61 N 1.84 1.71 -0.05 3.87 0.00 -1.10 -2.56 119.26 122.96 2qbj h ALA 61 Ca 0.74 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.62 2qbj h ALA 61 Cb 1.70 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 19.30 2qbj h ALA 61 CO -0.60 0.18 0.01 0.00 0.00 0.00 0.00 179.25 178.85 2qbj h ALA 62 N 1.62 0.07 -0.97 0.00 0.00 0.84 -3.27 119.26 117.55 2qbj h ALA 62 Ca 0.30 -0.13 -0.77 0.00 0.00 0.00 0.00 54.91 54.30 2qbj h ALA 62 Cb 0.23 -0.02 -0.18 0.00 0.00 0.00 0.00 17.79 17.82 2qbj h ALA 62 CO -0.09 -0.30 1.82 1.63 0.00 0.00 0.00 179.25 182.30 2qbj n LYS 63 N -4.92 4.72 0.00 0.00 4.76 -0.97 -5.00 118.16 116.76 2qbj n LYS 63 Ca -0.07 -3.92 0.00 0.00 -2.87 0.00 0.00 58.31 51.45 2qbj n LYS 63 Cb 0.15 -2.61 0.00 0.00 -1.84 0.00 0.00 35.03 30.73 2qbj n LYS 63 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2qbj n GLY 64 N 1.29 4.02 7.00 0.72 0.00 -1.23 -4.81 105.19 112.19 2qbj n GLY 64 Ca 0.52 0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.58 2qbj n GLY 64 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2qbj n LEU 65 N 0.00 0.00 0.12 0.99 7.94 -1.26 -0.63 117.00 124.16 2qbj n LEU 65 Ca 0.00 0.00 -0.05 0.00 -1.11 0.00 0.00 56.01 54.85 2qbj n LEU 65 Cb 0.00 0.00 -0.02 0.00 0.53 0.00 0.00 43.42 43.93 2qbj n LEU 65 CO 0.00 0.00 0.47 0.40 -1.11 0.00 0.00 177.39 177.15 2qbj h ILE 66 N 0.00 0.00 -3.25 1.96 5.03 -1.88 -3.49 117.51 115.88 2qbj h ILE 66 Ca 0.00 -0.02 0.34 0.00 -0.12 0.00 0.00 64.86 65.06 2qbj h ILE 66 Cb 0.00 0.00 -0.16 0.00 -3.03 0.00 0.00 36.82 33.63 2qbj h ILE 66 CO 0.00 0.00 -1.00 1.57 -0.68 0.00 0.00 178.15 178.04 2qbj n HIS 67 N -2.88 -3.61 -1.97 1.37 -0.00 0.20 -4.87 115.22 103.46 2qbj n HIS 67 Ca -0.04 1.94 0.17 0.00 -0.00 0.00 0.00 57.72 59.79 2qbj n HIS 67 Cb 0.12 -3.28 -0.04 0.00 -0.00 0.00 0.00 29.99 26.79 2qbj n HIS 67 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 2qbj n LYS 68 N -4.22 -2.49 0.00 1.57 4.76 -1.26 -3.52 118.16 112.99 2qbj n LYS 68 Ca -0.06 1.64 0.01 0.00 -2.87 0.00 0.00 58.31 57.04 2qbj n LYS 68 Cb 0.64 -3.04 0.08 0.00 -1.84 0.00 0.00 35.03 30.88 2qbj n LYS 68 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30 2qbj n ASN 69 N -4.06 0.00 -0.21 4.39 6.94 -1.26 -3.78 115.26 117.28 2qbj n ASN 69 Ca 0.01 0.07 -0.08 0.00 -0.02 0.00 0.00 54.58 54.56 2qbj n ASN 69 Cb 0.56 -0.13 -0.06 0.00 -2.36 0.00 0.00 39.78 37.79 2qbj n ASN 69 CO 0.00 0.00 0.00 0.50 -1.03 0.00 0.00 177.26 176.73 2qbj h LYS 70 N 0.00 -0.07 -0.69 -3.83 3.64 -1.89 0.47 116.57 114.19 2qbj h LYS 70 Ca 0.00 0.00 0.08 0.00 -1.27 0.00 0.00 60.65 59.47 2qbj h LYS 70 Cb 0.01 0.02 -0.07 0.00 -0.41 0.00 0.00 32.23 31.78 2qbj h LYS 70 CO 0.00 -0.05 0.35 0.00 -2.27 0.00 0.00 179.45 177.48 2qbj h ALA 71 N -0.18 0.94 0.16 5.00 0.00 -1.78 -1.61 119.26 121.79 2qbj h ALA 71 Ca 0.09 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2qbj h ALA 71 Cb 0.30 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 2qbj h ALA 71 CO -0.53 -0.02 -0.32 0.00 0.00 0.00 0.00 179.25 178.37 2qbj h ALA 72 N 1.40 -0.89 -0.73 0.00 0.00 -0.79 -2.08 119.26 116.17 2qbj h ALA 72 Ca 0.33 -0.09 0.13 0.00 0.00 0.00 0.00 54.91 55.28 2qbj h ALA 72 Cb 0.31 0.66 -0.05 0.00 0.00 0.00 0.00 17.79 18.71 2qbj h ALA 72 CO -0.24 -0.95 0.48 0.07 0.00 0.00 0.00 179.25 178.61 2qbj h ARG 73 N -0.52 0.46 -0.37 0.00 0.11 -0.09 -0.83 114.38 113.13 2qbj h ARG 73 Ca -0.02 -0.03 0.08 0.00 0.10 0.00 0.00 59.98 60.12 2qbj h ARG 73 Cb 0.49 -0.10 -0.08 0.00 1.11 0.00 0.00 29.97 31.39 2qbj h ARG 73 CO -0.13 0.31 -0.22 0.45 0.10 0.00 0.00 179.97 180.48 2qbj h HIS 74 N 0.48 -0.58 0.34 4.08 3.86 -0.62 -1.59 115.15 121.12 2qbj h HIS 74 Ca 0.35 0.05 -0.01 0.00 -1.16 0.00 0.00 60.37 59.60 2qbj h HIS 74 Cb 0.70 0.31 -0.01 0.00 1.06 0.00 0.00 27.41 29.47 2qbj h HIS 74 CO -0.00 -0.30 -0.23 0.87 0.86 0.00 0.00 177.93 179.13 2qbj h LYS 75 N -0.16 -0.54 0.00 2.45 1.57 -0.72 -3.01 116.57 116.16 2qbj h LYS 75 Ca 0.18 0.04 0.00 0.00 -1.87 0.00 0.00 60.65 59.00 2qbj h LYS 75 Cb 0.45 0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.88 2qbj h LYS 75 CO -0.47 -0.36 0.00 0.00 -0.57 0.00 0.00 179.45 178.05 2qbj n ALA 76 N -2.44 0.00 -0.27 3.86 0.00 -0.62 -0.55 120.51 120.49 2qbj n ALA 76 Ca -0.10 0.00 0.20 0.00 0.00 0.00 0.00 53.44 53.54 2qbj n ALA 76 Cb 0.27 0.18 0.50 0.00 0.00 0.00 0.00 19.45 20.40 2qbj n ALA 76 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 177.50 174.55 2qbj h ASN 77 N 0.00 0.44 -0.39 0.00 7.08 -1.60 -0.93 115.58 120.18 2qbj h ASN 77 Ca 0.00 0.05 0.04 0.00 -3.08 0.00 0.00 56.30 53.32 2qbj h ASN 77 Cb 0.00 -0.03 -0.04 0.00 -2.08 0.00 0.00 38.32 36.17 2qbj h ASN 77 CO 0.00 0.16 0.15 -0.07 -2.08 0.00 0.00 177.43 175.59 2qbj h LEU 78 N 0.43 0.18 0.73 6.14 3.38 -0.67 -1.65 115.31 123.84 2qbj h LEU 78 Ca 0.50 0.04 -0.04 0.00 0.09 0.00 0.00 57.88 58.48 2qbj h LEU 78 Cb 1.23 0.01 0.01 0.00 0.09 0.00 0.00 40.66 42.00 2qbj h LEU 78 CO -0.21 0.14 -0.35 0.74 0.09 0.00 0.00 178.44 178.85 2qbj h THR 79 N 0.32 0.16 -1.08 0.22 2.02 0.22 0.24 112.91 115.02 2qbj h THR 79 Ca 0.18 -0.20 0.31 0.00 0.77 0.00 0.00 66.41 67.48 2qbj h THR 79 Cb 0.14 0.20 -0.04 0.00 -1.74 0.00 0.00 68.15 66.71 2qbj h THR 79 CO -0.17 0.01 0.90 0.00 0.37 0.00 0.00 175.52 176.63 2qbj h ALA 80 N -1.00 2.96 0.11 6.16 0.00 -1.33 0.81 119.26 126.98 2qbj h ALA 80 Ca -0.10 -0.04 -0.36 0.00 0.00 0.00 0.00 54.91 54.41 2qbj h ALA 80 Cb 0.77 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 2qbj h ALA 80 CO 0.16 -1.46 -2.00 1.04 0.00 0.00 0.00 179.25 177.00 2qbj n GLN 81 N -3.87 0.75 0.00 0.00 6.02 -0.63 -3.53 117.38 116.12 2qbj n GLN 81 Ca 0.23 0.27 0.00 0.00 -0.01 0.00 0.00 57.00 57.49 2qbj n GLN 81 Cb 1.25 -1.70 0.00 0.00 1.02 0.00 0.00 30.24 30.81 2qbj n GLN 81 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.06 176.49 2qbj n ILE 82 N -3.52 0.00 0.00 5.09 -6.64 0.81 -2.51 119.36 112.59 2qbj n ILE 82 Ca -0.33 0.00 0.00 0.00 -1.77 0.00 0.00 62.75 60.65 2qbj n ILE 82 Cb 1.03 -0.26 0.00 0.00 -1.44 0.00 0.00 39.64 38.96 2qbj n ILE 82 CO 0.00 0.00 0.00 0.59 -1.77 0.00 0.00 176.55 175.37 2qbj n ASN 83 N -0.37 0.00 0.00 7.28 3.02 -0.81 -4.63 115.26 119.75 2qbj n ASN 83 Ca 0.00 0.00 0.01 0.00 -0.03 0.00 0.00 54.58 54.56 2qbj n ASN 83 Cb 0.02 -0.19 0.04 0.00 -0.61 0.00 0.00 39.78 39.04 2qbj n ASN 83 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2qbj n LYS 84 N -2.16 0.17 0.03 3.52 5.02 -1.22 -2.63 118.16 120.89 2qbj n LYS 84 Ca 0.00 0.00 -0.19 0.00 -2.02 0.00 0.00 58.31 56.10 2qbj n LYS 84 Cb 0.00 -1.13 -0.13 0.00 -0.02 0.00 0.00 35.03 33.75 2qbj n LYS 84 CO 0.00 0.00 0.00 1.37 -0.52 0.00 0.00 177.40 178.25 2qbj h LEU 85 N 0.00 0.51 0.00 -0.35 -0.00 -1.75 -3.51 115.31 110.21 2qbj h LEU 85 Ca 0.00 -0.85 0.00 0.00 -0.00 0.00 0.00 57.88 57.03 2qbj h LEU 85 Cb 0.00 -0.16 0.00 0.00 -0.00 0.00 0.00 40.66 40.50 2qbj h LEU 85 CO 0.00 1.31 0.00 0.00 -0.00 0.00 0.00 178.44 179.75