#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbd n ILE 3 N 0.00 -0.02 -3.34 -1.44 5.41 -1.26 -4.78 119.36 113.93 2qbd n ILE 3 Ca 0.00 -0.58 0.02 0.00 1.00 0.00 0.00 62.75 63.20 2qbd n ILE 3 Cb 0.00 -2.13 -0.03 0.00 -0.71 0.00 0.00 39.64 36.77 2qbd n ILE 3 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 176.55 176.01 2qbd s LYS 4 N 8.71 0.37 0.37 0.38 -0.14 -1.26 -5.04 119.74 123.14 2qbd s LYS 4 Ca 0.96 0.82 0.26 0.00 -1.36 0.00 0.00 55.97 56.65 2qbd s LYS 4 Cb -0.18 0.48 1.29 0.00 -1.68 0.00 0.00 37.83 37.75 2qbd s LYS 4 CO 0.15 -0.24 1.40 -1.13 -0.76 0.00 0.00 175.35 174.77 2qbd n SER 5 N 5.26 0.23 0.00 2.83 3.41 -1.26 0.21 113.62 124.29 2qbd n SER 5 Ca -0.07 1.32 0.00 0.00 -0.26 0.00 0.00 58.87 59.85 2qbd n SER 5 Cb 0.52 -0.65 0.00 0.00 -0.26 0.00 0.00 64.21 63.82 2qbd n SER 5 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2qbd n ALA 6 N -2.47 1.33 -0.07 7.33 0.00 -1.26 -2.23 120.51 123.14 2qbd n ALA 6 Ca 0.35 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.97 2qbd n ALA 6 Cb 1.32 -0.95 0.59 0.00 0.00 0.00 0.00 19.45 20.41 2qbd n ALA 6 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2qbd h LYS 7 N 0.00 0.21 -1.00 0.00 3.64 0.21 -0.99 116.57 118.64 2qbd h LYS 7 Ca 0.00 -0.01 0.22 0.00 -1.27 0.00 0.00 60.65 59.59 2qbd h LYS 7 Cb 0.01 -0.05 -0.10 0.00 -0.41 0.00 0.00 32.23 31.69 2qbd h LYS 7 CO 0.00 0.14 0.62 -0.22 -2.27 0.00 0.00 179.45 177.72 2qbd h LYS 8 N 0.21 0.55 -0.59 1.90 3.64 -1.69 0.32 116.57 120.93 2qbd h LYS 8 Ca 0.30 -0.03 0.11 0.00 -1.27 0.00 0.00 60.65 59.76 2qbd h LYS 8 Cb 0.89 -0.13 -0.09 0.00 -0.41 0.00 0.00 32.23 32.50 2qbd h LYS 8 CO -0.06 0.37 0.10 -0.09 -2.27 0.00 0.00 179.45 177.50 2qbd h ARG 9 N 0.57 0.22 -0.91 1.90 9.65 -1.45 -0.90 114.38 123.46 2qbd h ARG 9 Ca 0.57 -0.01 0.25 0.00 -1.10 0.00 0.00 59.98 59.69 2qbd h ARG 9 Cb 1.16 -0.05 -0.14 0.00 -1.39 0.00 0.00 29.97 29.55 2qbd h ARG 9 CO -0.33 0.15 0.30 0.00 2.80 0.00 0.00 179.97 182.89 2qbd h ALA 10 N 1.48 1.42 -0.11 2.80 0.00 -1.08 0.19 119.26 123.95 2qbd h ALA 10 Ca 0.31 0.22 -0.19 0.00 0.00 0.00 0.00 54.91 55.24 2qbd h ALA 10 Cb 0.47 0.29 0.01 0.00 0.00 0.00 0.00 17.79 18.55 2qbd h ALA 10 CO -0.42 -0.49 -0.68 0.82 0.00 0.00 0.00 179.25 178.49 2qbd h ILE 11 N 0.23 1.32 0.40 0.00 2.04 -1.28 -2.25 117.51 117.98 2qbd h ILE 11 Ca 0.59 -1.94 -0.01 0.00 1.00 0.00 0.00 64.86 64.51 2qbd h ILE 11 Cb 1.23 2.13 -0.03 0.00 -0.74 0.00 0.00 36.82 39.41 2qbd h ILE 11 CO -0.65 0.60 -0.50 1.56 0.00 0.00 0.00 178.15 179.16 2qbd h GLN 12 N 0.33 -0.89 -0.68 2.37 4.20 0.04 0.23 115.11 120.71 2qbd h GLN 12 Ca -0.05 0.06 0.04 0.00 0.06 0.00 0.00 58.65 58.76 2qbd h GLN 12 Cb 1.32 0.20 -0.05 0.00 0.30 0.00 0.00 27.48 29.25 2qbd h GLN 12 CO 0.14 -0.59 0.41 0.66 -0.67 0.00 0.00 178.83 178.78 2qbd h SER 13 N -0.92 0.64 0.62 1.46 4.64 -1.11 0.06 113.55 118.95 2qbd h SER 13 Ca -0.05 0.01 -0.02 0.00 -0.47 0.00 0.00 61.79 61.26 2qbd h SER 13 Cb 0.82 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 62.78 2qbd h SER 13 CO -0.11 0.43 -0.42 -0.08 -0.87 0.00 0.00 176.83 175.78 2qbd h GLU 14 N 0.78 -0.96 -0.80 4.77 4.22 -1.01 0.83 114.58 122.41 2qbd h GLU 14 Ca 0.29 0.07 0.02 0.00 0.08 0.00 0.00 59.36 59.81 2qbd h GLU 14 Cb 0.10 0.22 -0.04 0.00 0.50 0.00 0.00 28.75 29.53 2qbd h GLU 14 CO -0.14 -0.64 0.52 0.87 -2.18 0.00 0.00 179.01 177.44 2qbd h LYS 15 N -1.00 1.02 -0.80 1.92 1.79 -0.41 -1.68 116.57 117.41 2qbd h LYS 15 Ca -0.08 -0.06 0.02 0.00 -2.18 0.00 0.00 60.65 58.36 2qbd h LYS 15 Cb 0.82 -0.23 -0.04 0.00 -1.58 0.00 0.00 32.23 31.20 2qbd h LYS 15 CO 0.05 0.67 0.53 0.00 -1.08 0.00 0.00 179.45 179.62 2qbd h ALA 16 N 1.31 1.48 -0.57 3.86 0.00 -0.78 -2.02 119.26 122.54 2qbd h ALA 16 Ca 0.30 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.21 2qbd h ALA 16 Cb -0.08 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 17.37 2qbd h ALA 16 CO -0.08 0.46 0.32 -0.09 0.00 0.00 0.00 179.25 179.86 2qbd h ARG 17 N 1.03 0.60 -0.86 0.00 1.12 0.13 0.52 114.38 116.92 2qbd h ARG 17 Ca 0.31 -0.04 0.02 0.00 -1.11 0.00 0.00 59.98 59.16 2qbd h ARG 17 Cb -0.03 -0.14 -0.05 0.00 -0.01 0.00 0.00 29.97 29.74 2qbd h ARG 17 CO -0.08 0.40 0.56 0.87 -3.11 0.00 0.00 179.97 178.61 2qbd h LYS 18 N 0.62 1.07 0.42 0.20 1.57 -1.13 -0.23 116.57 119.10 2qbd h LYS 18 Ca 0.24 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.94 2qbd h LYS 18 Cb 0.09 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 32.17 2qbd h LYS 18 CO -0.14 0.71 -0.20 1.25 -0.57 0.00 0.00 179.45 180.50 2qbd h HIS 19 N 1.10 -0.53 -0.88 -1.35 2.76 -1.06 -3.08 115.15 112.12 2qbd h HIS 19 Ca 0.33 -0.01 0.17 0.00 -2.20 0.00 0.00 60.37 58.66 2qbd h HIS 19 Cb -0.04 0.17 -0.10 0.00 1.55 0.00 0.00 27.41 28.99 2qbd h HIS 19 CO -0.02 -0.21 0.44 -0.91 -1.30 0.00 0.00 177.93 175.93 2qbd h ASN 20 N -0.85 0.49 -0.00 3.26 4.21 -0.74 -2.49 115.58 119.45 2qbd h ASN 20 Ca -0.06 0.11 0.01 0.00 1.21 0.00 0.00 56.30 57.57 2qbd h ASN 20 Cb 0.56 0.04 -0.03 0.00 -1.12 0.00 0.00 38.32 37.77 2qbd h ASN 20 CO 0.10 0.15 -0.25 0.00 -1.29 0.00 0.00 177.43 176.14 2qbd h ALA 21 N 1.61 -0.70 -0.65 -0.83 0.00 -0.97 0.27 119.26 118.00 2qbd h ALA 21 Ca 0.50 -0.04 0.13 0.00 0.00 0.00 0.00 54.91 55.51 2qbd h ALA 21 Cb 0.81 0.71 -0.12 0.00 0.00 0.00 0.00 17.79 19.19 2qbd h ALA 21 CO -0.42 -0.78 -0.10 0.66 0.00 0.00 0.00 179.25 178.61 2qbd h SER 22 N -0.31 -0.49 -0.93 0.00 4.64 -1.39 0.93 113.55 116.00 2qbd h SER 22 Ca 0.01 0.18 0.09 0.00 -0.47 0.00 0.00 61.79 61.60 2qbd h SER 22 Cb 0.33 0.36 -0.07 0.00 -0.31 0.00 0.00 62.40 62.71 2qbd h SER 22 CO -0.17 -0.19 0.58 0.03 -0.87 0.00 0.00 176.83 176.22 2qbd h ARG 23 N 0.04 0.96 -0.01 4.77 2.47 -1.00 -1.10 114.38 120.51 2qbd h ARG 23 Ca 0.32 -0.06 -0.01 0.00 -1.26 0.00 0.00 59.98 58.98 2qbd h ARG 23 Cb 0.51 -0.22 0.00 0.00 -1.65 0.00 0.00 29.97 28.62 2qbd h ARG 23 CO -0.63 0.64 -0.03 -0.09 0.56 0.00 0.00 179.97 180.42 2qbd h ARG 24 N 0.99 0.04 -0.41 0.04 2.43 0.32 -2.87 114.38 114.92 2qbd h ARG 24 Ca 0.43 -0.03 0.09 0.00 -0.81 0.00 0.00 59.98 59.66 2qbd h ARG 24 Cb 0.31 0.00 -0.09 0.00 -0.42 0.00 0.00 29.97 29.77 2qbd h ARG 24 CO -0.22 0.65 -0.23 0.77 -1.51 0.00 0.00 179.97 179.43 2qbd h SER 25 N -0.56 -0.77 -0.60 -3.80 0.02 0.11 0.12 113.55 108.06 2qbd h SER 25 Ca -0.00 0.17 0.00 0.00 -0.84 0.00 0.00 61.79 61.12 2qbd h SER 25 Cb 0.65 0.40 -0.03 0.00 0.14 0.00 0.00 62.40 63.56 2qbd h SER 25 CO 0.01 -0.25 0.39 -0.03 -1.14 0.00 0.00 176.83 175.81 2qbd h MET 26 N -0.15 0.80 0.29 3.45 1.85 -1.30 -2.07 114.93 117.79 2qbd h MET 26 Ca 0.20 -0.05 -0.01 0.00 -0.61 0.00 0.00 59.70 59.22 2qbd h MET 26 Cb 0.46 -0.18 0.00 0.00 0.43 0.00 0.00 31.60 32.32 2qbd h MET 26 CO -0.51 0.53 -0.14 1.98 -0.40 0.00 0.00 176.91 178.38 2qbd h MET 27 N 0.82 -0.37 -0.59 0.39 -1.53 -1.08 -1.98 114.93 110.58 2qbd h MET 27 Ca 0.22 0.03 0.12 0.00 -3.44 0.00 0.00 59.70 56.63 2qbd h MET 27 Cb -0.09 0.08 -0.11 0.00 -0.55 0.00 0.00 31.60 30.94 2qbd h MET 27 CO -0.05 -0.18 -0.07 0.00 0.14 0.00 0.00 176.91 176.76 2qbd h ARG 28 N -0.49 0.06 0.02 0.39 2.47 -0.68 -2.13 114.38 114.02 2qbd h ARG 28 Ca -0.04 -0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.68 2qbd h ARG 28 Cb 0.37 -0.01 0.00 0.00 -1.65 0.00 0.00 29.97 28.67 2qbd h ARG 28 CO 0.06 0.04 -0.01 1.79 0.56 0.00 0.00 179.97 182.41 2qbd h THR 29 N 0.06 1.06 -0.73 2.04 1.35 -1.25 -2.81 112.91 112.64 2qbd h THR 29 Ca 0.30 -0.26 0.11 0.00 -0.55 0.00 0.00 66.41 66.01 2qbd h THR 29 Cb 0.47 1.24 -0.05 0.00 -1.73 0.00 0.00 68.15 68.08 2qbd h THR 29 CO -0.56 0.07 0.48 -0.26 -0.25 0.00 0.00 175.52 175.00 2qbd h PHE 30 N -0.14 0.62 -0.08 4.73 -1.00 -0.97 -0.60 116.94 119.50 2qbd h PHE 30 Ca -0.00 0.02 -0.08 0.00 2.81 0.00 0.00 57.97 60.72 2qbd h PHE 30 Cb 0.13 -0.20 -0.01 0.00 3.61 0.00 0.00 35.95 39.48 2qbd h PHE 30 CO -0.04 0.28 -0.30 0.82 -1.61 0.00 0.00 178.31 177.46 2qbd h ILE 31 N 0.57 1.25 -0.20 -0.55 2.04 -1.17 -3.08 117.51 116.37 2qbd h ILE 31 Ca 0.34 -1.16 -0.19 0.00 1.00 0.00 0.00 64.86 64.85 2qbd h ILE 31 Cb 0.55 1.52 0.00 0.00 -0.74 0.00 0.00 36.82 38.16 2qbd h ILE 31 CO -0.12 0.34 -0.63 0.11 0.00 0.00 0.00 178.15 177.86 2qbd h LYS 32 N 0.13 0.72 -1.01 2.37 1.57 -0.86 -2.94 116.57 116.53 2qbd h LYS 32 Ca 0.02 -0.50 0.29 0.00 -1.87 0.00 0.00 60.65 58.59 2qbd h LYS 32 Cb 0.60 0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.95 2qbd h LYS 32 CO 0.04 1.12 0.73 0.87 -0.57 0.00 0.00 179.45 181.65 2qbd h LYS 33 N 0.53 0.00 -0.09 3.15 1.57 -1.41 0.78 116.57 121.10 2qbd h LYS 33 Ca -0.01 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.64 2qbd h LYS 33 Cb 1.22 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.54 2qbd h LYS 33 CO 0.13 0.00 -0.46 0.28 -0.57 0.00 0.00 179.45 178.83 2qbd h VAL 34 N 0.00 1.38 -0.41 0.50 2.07 -1.63 -1.72 116.25 116.44 2qbd h VAL 34 Ca 0.48 -1.81 -0.03 0.00 0.82 0.00 0.00 66.70 66.16 2qbd h VAL 34 Cb 1.95 2.23 -0.02 0.00 -1.52 0.00 0.00 31.29 33.93 2qbd h VAL 34 CO -0.01 0.54 0.13 0.10 0.02 0.00 0.00 177.57 178.35 2qbd h TYR 35 N 0.05 0.67 -0.03 1.57 -0.00 0.34 0.33 116.97 119.89 2qbd h TYR 35 Ca -0.03 -0.07 -0.00 0.00 0.00 0.00 0.00 58.73 58.63 2qbd h TYR 35 Cb 1.11 -0.19 -0.00 0.00 0.00 0.00 0.00 36.73 37.65 2qbd h TYR 35 CO 0.12 0.62 0.02 0.00 -0.00 0.00 0.00 178.16 178.92 2qbd h ALA 36 N 0.97 0.04 0.24 0.10 0.00 -0.22 0.18 119.26 120.58 2qbd h ALA 36 Ca 0.13 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 2qbd h ALA 36 Cb 0.27 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2qbd h ALA 36 CO -0.00 -0.45 -0.11 0.00 0.00 0.00 0.00 179.25 178.69 2qbd h ALA 37 N 0.98 -0.32 -0.57 0.00 0.00 -1.20 0.91 119.26 119.06 2qbd h ALA 37 Ca 0.01 -0.15 0.15 0.00 0.00 0.00 0.00 54.91 54.92 2qbd h ALA 37 Cb 0.03 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 2qbd h ALA 37 CO -0.00 -0.56 0.40 0.97 0.00 0.00 0.00 179.25 180.06 2qbd h ILE 38 N -0.56 0.75 0.02 0.00 -0.00 -0.29 -0.72 117.51 116.71 2qbd h ILE 38 Ca -0.03 -0.03 -0.28 0.00 -0.00 0.00 0.00 64.86 64.51 2qbd h ILE 38 Cb 0.41 0.66 -0.04 0.00 -0.00 0.00 0.00 36.82 37.84 2qbd h ILE 38 CO 0.05 0.02 -1.59 -0.08 -0.00 0.00 0.00 178.15 176.55 2qbd h GLU 39 N 0.09 0.03 0.00 2.19 4.22 -0.30 -3.32 114.58 117.50 2qbd h GLU 39 Ca 0.27 -0.06 0.00 0.00 0.08 0.00 0.00 59.36 59.66 2qbd h GLU 39 Cb 0.96 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.24 2qbd h GLU 39 CO -0.03 0.66 0.00 0.00 -2.18 0.00 0.00 179.01 177.47 2qbd n ALA 40 N -2.55 2.36 -3.22 2.92 0.00 0.31 -4.87 120.51 115.46 2qbd n ALA 40 Ca -0.15 -0.01 -0.15 0.00 0.00 0.00 0.00 53.44 53.13 2qbd n ALA 40 Cb 1.03 -1.03 0.07 0.00 0.00 0.00 0.00 19.45 19.53 2qbd n ALA 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qbd n GLY 41 N 0.37 -0.81 2.31 0.00 0.00 -1.02 -5.00 105.19 101.04 2qbd n GLY 41 Ca 0.01 0.39 -0.22 0.00 0.00 0.00 0.00 46.02 46.20 2qbd n GLY 41 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2qbd n ASP 42 N -3.09 -0.44 -0.51 1.61 -0.08 -1.06 -4.97 116.55 108.02 2qbd n ASP 42 Ca -0.13 -2.74 0.43 0.00 -1.51 0.00 0.00 54.79 50.84 2qbd n ASP 42 Cb 0.63 -0.22 0.77 0.00 2.34 0.00 0.00 41.12 44.64 2qbd n ASP 42 CO 0.00 0.00 0.00 0.07 0.12 0.00 0.00 177.20 177.39 2qbd h LYS 43 N 4.24 0.02 0.02 -0.67 -0.00 -1.91 -0.83 116.57 117.43 2qbd h LYS 43 Ca 0.07 -0.00 -0.00 0.00 -0.00 0.00 0.00 60.65 60.71 2qbd h LYS 43 Cb 0.91 -0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.14 2qbd h LYS 43 CO 0.42 0.01 -0.01 0.00 -0.00 0.00 0.00 179.45 179.87 2qbd h ALA 44 N 1.25 -0.69 -0.91 0.07 0.00 -1.95 -2.46 119.26 114.58 2qbd h ALA 44 Ca 0.75 -0.01 0.26 0.00 0.00 0.00 0.00 54.91 55.92 2qbd h ALA 44 Cb 2.95 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 20.71 2qbd h ALA 44 CO -0.05 -0.69 0.65 0.00 0.00 0.00 0.00 179.25 179.17 2qbd h ALA 45 N -1.98 2.83 0.31 0.00 0.00 -1.72 -0.76 119.26 117.93 2qbd h ALA 45 Ca -0.00 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 2qbd h ALA 45 Cb 0.02 0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2qbd h ALA 45 CO 0.00 -1.09 -0.15 0.00 0.00 0.00 0.00 179.25 178.02 2qbd h ALA 46 N 1.55 -0.42 0.03 0.00 0.00 -1.18 -2.79 119.26 116.45 2qbd h ALA 46 Ca 0.43 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 55.22 2qbd h ALA 46 Cb 1.70 0.16 -0.05 0.00 0.00 0.00 0.00 17.79 19.60 2qbd h ALA 46 CO -0.01 -0.65 -0.53 1.96 0.00 0.00 0.00 179.25 180.01 2qbd h GLN 47 N -0.58 -0.67 -0.59 0.00 1.08 -0.64 -1.20 115.11 112.52 2qbd h GLN 47 Ca -0.04 0.05 0.05 0.00 -1.45 0.00 0.00 58.65 57.26 2qbd h GLN 47 Cb 0.42 0.15 -0.07 0.00 -0.05 0.00 0.00 27.48 27.93 2qbd h GLN 47 CO 0.07 -0.45 -0.35 1.17 -0.95 0.00 0.00 178.83 178.33 2qbd n LYS 48 N -5.47 -0.26 -0.24 1.46 3.00 -1.06 -0.12 118.16 115.47 2qbd n LYS 48 Ca -0.08 1.25 0.10 0.00 -0.00 0.00 0.00 58.31 59.59 2qbd n LYS 48 Cb 0.40 -1.85 0.37 0.00 0.00 0.00 0.00 35.03 33.96 2qbd n LYS 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2qbd h ALA 49 N -0.07 1.80 0.22 3.14 0.00 -1.25 -0.96 119.26 122.13 2qbd h ALA 49 Ca 0.09 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 2qbd h ALA 49 Cb 0.24 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2qbd h ALA 49 CO -0.55 0.00 -0.10 0.35 0.00 0.00 0.00 179.25 178.95 2qbd h PHE 50 N 0.71 -0.27 0.00 0.00 3.04 0.74 0.49 116.94 121.65 2qbd h PHE 50 Ca 0.40 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.34 2qbd h PHE 50 Cb 0.56 0.09 0.00 0.00 2.56 0.00 0.00 35.95 39.16 2qbd h PHE 50 CO -0.00 -0.11 0.00 -0.91 -2.02 0.00 0.00 178.31 175.27 2qbd h ASN 51 N -0.36 0.00 1.39 0.41 4.21 -0.59 0.50 115.58 121.14 2qbd h ASN 51 Ca -0.03 0.00 -0.09 0.00 1.21 0.00 0.00 56.30 57.39 2qbd h ASN 51 Cb 0.28 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.46 2qbd h ASN 51 CO 0.05 0.00 -0.63 -0.08 -1.29 0.00 0.00 177.43 175.48 2qbd h GLU 52 N 0.00 0.00 0.00 0.81 4.81 -0.12 -3.35 114.58 116.73 2qbd h GLU 52 Ca 0.00 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.19 2qbd h GLU 52 Cb 0.24 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.61 2qbd h GLU 52 CO 0.00 0.36 -1.73 0.00 -0.73 0.00 0.00 179.01 176.91 2qbd n MET 53 N -3.11 0.64 -0.19 1.92 0.00 0.06 -4.44 117.12 111.99 2qbd n MET 53 Ca 0.00 -0.12 -0.02 0.00 0.00 0.00 0.00 57.70 57.56 2qbd n MET 53 Cb 0.71 -1.36 0.04 0.00 0.00 0.00 0.00 33.22 32.61 2qbd n MET 53 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 175.97 176.34 2qbd h GLN 54 N 0.00 -0.06 -0.23 3.17 4.15 -0.21 0.93 115.11 122.86 2qbd h GLN 54 Ca -0.06 0.00 -0.12 0.00 0.77 0.00 0.00 58.65 59.25 2qbd h GLN 54 Cb 0.86 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.56 2qbd h GLN 54 CO 0.00 -0.04 -0.35 -1.00 -1.93 0.00 0.00 178.83 175.51 2qbd h PRO 55 N -0.06 0.49 0.25 -2.39 0.13 -1.81 -1.96 132.00 126.65 2qbd h PRO 55 Ca 0.27 -0.23 -0.00 0.00 -0.87 0.00 0.00 66.00 65.17 2qbd h PRO 55 Cb 0.48 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.59 2qbd h PRO 55 CO -0.62 0.78 -0.19 0.82 -0.23 0.00 0.00 178.00 178.56 2qbd h ILE 56 N 0.42 0.59 0.06 -3.56 2.04 -1.18 0.21 117.51 116.09 2qbd h ILE 56 Ca 0.05 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.90 2qbd h ILE 56 Cb 0.81 0.59 0.00 0.00 -0.74 0.00 0.00 36.82 37.49 2qbd h ILE 56 CO 0.07 0.00 -0.03 -0.37 0.00 0.00 0.00 178.15 177.82 2qbd h VAL 57 N -0.44 1.11 -0.93 1.67 -1.51 -0.91 -0.06 116.25 115.18 2qbd h VAL 57 Ca -0.01 -0.56 0.09 0.00 -1.23 0.00 0.00 66.70 64.99 2qbd h VAL 57 Cb 0.39 1.48 -0.07 0.00 -2.13 0.00 0.00 31.29 30.96 2qbd h VAL 57 CO -0.01 0.14 0.57 0.44 -1.23 0.00 0.00 177.57 177.48 2qbd h ASP 58 N -0.32 0.87 0.53 4.19 3.32 -1.31 -1.25 116.42 122.45 2qbd h ASP 58 Ca -0.01 0.03 -0.03 0.00 0.02 0.00 0.00 57.03 57.05 2qbd h ASP 58 Cb 0.29 -0.14 0.01 0.00 0.22 0.00 0.00 39.33 39.70 2qbd h ASP 58 CO 0.01 0.51 -0.26 -0.09 -1.72 0.00 0.00 179.24 177.70 2qbd h ARG 59 N 0.98 -0.69 -1.28 3.56 2.43 -0.44 -2.84 114.38 116.10 2qbd h ARG 59 Ca 0.43 0.05 0.37 0.00 -0.81 0.00 0.00 59.98 60.02 2qbd h ARG 59 Cb 0.32 0.16 -0.09 0.00 -0.42 0.00 0.00 29.97 29.94 2qbd h ARG 59 CO -0.22 -0.46 0.87 1.96 -1.51 0.00 0.00 179.97 180.61 2qbd h GLN 60 N -0.96 0.13 0.31 0.20 1.08 -0.86 0.64 115.11 115.66 2qbd h GLN 60 Ca -0.07 -0.01 -0.02 0.00 -1.45 0.00 0.00 58.65 57.10 2qbd h GLN 60 Cb 0.55 -0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.95 2qbd h GLN 60 CO 0.12 0.09 -0.15 0.00 -0.95 0.00 0.00 178.83 177.94 2qbd h ALA 61 N 1.47 -0.42 -0.97 3.87 0.00 -1.19 -3.15 119.26 118.87 2qbd h ALA 61 Ca 0.69 -0.18 0.19 0.00 0.00 0.00 0.00 54.91 55.60 2qbd h ALA 61 Cb 2.32 0.16 -0.11 0.00 0.00 0.00 0.00 17.79 20.16 2qbd h ALA 61 CO -0.20 -0.57 0.57 0.00 0.00 0.00 0.00 179.25 179.05 2qbd h ALA 62 N -0.19 1.59 -0.80 0.00 0.00 -0.64 -2.24 119.26 116.98 2qbd h ALA 62 Ca -0.04 0.09 -0.66 0.00 0.00 0.00 0.00 54.91 54.29 2qbd h ALA 62 Cb 0.50 -0.06 -0.22 0.00 0.00 0.00 0.00 17.79 18.01 2qbd h ALA 62 CO 0.07 -0.08 0.91 1.63 0.00 0.00 0.00 179.25 181.79 2qbd n LYS 63 N -4.80 3.04 0.00 0.00 4.76 -0.91 -5.01 118.16 115.24 2qbd n LYS 63 Ca 0.22 -3.14 0.00 0.00 -2.87 0.00 0.00 58.31 52.52 2qbd n LYS 63 Cb 0.56 -2.27 0.00 0.00 -1.84 0.00 0.00 35.03 31.48 2qbd n LYS 63 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2qbd n GLY 64 N 0.30 3.41 6.57 0.72 0.00 -0.85 -4.82 105.19 110.53 2qbd n GLY 64 Ca 0.52 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.43 2qbd n GLY 64 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2qbd n LEU 65 N 0.00 0.00 -0.01 0.99 7.94 -1.26 -0.12 117.00 124.54 2qbd n LEU 65 Ca 0.00 0.00 -0.01 0.00 -1.11 0.00 0.00 56.01 54.89 2qbd n LEU 65 Cb 0.00 0.00 -0.00 0.00 0.53 0.00 0.00 43.42 43.95 2qbd n LEU 65 CO 0.00 0.00 0.03 0.40 -1.11 0.00 0.00 177.39 176.71 2qbd h ILE 66 N 0.00 0.00 -1.82 1.96 5.03 -1.85 -3.50 117.51 117.33 2qbd h ILE 66 Ca 0.00 -0.63 0.15 0.00 -0.12 0.00 0.00 64.86 64.26 2qbd h ILE 66 Cb 0.00 0.00 -0.04 0.00 -3.03 0.00 0.00 36.82 33.75 2qbd h ILE 66 CO 0.00 0.00 -0.20 1.57 -0.68 0.00 0.00 178.15 178.84 2qbd n HIS 67 N -3.89 -2.49 -4.92 1.37 -0.00 0.83 -4.86 115.22 101.25 2qbd n HIS 67 Ca -0.01 0.69 0.00 0.00 0.46 0.00 0.00 57.72 58.87 2qbd n HIS 67 Cb 0.02 -1.20 0.00 0.00 -0.12 0.00 0.00 29.99 28.69 2qbd n HIS 67 CO 0.00 0.00 0.00 1.63 0.46 0.00 0.00 176.34 178.43 2qbd n LYS 68 N -2.30 0.00 0.00 1.57 4.76 -1.26 -3.53 118.16 117.40 2qbd n LYS 68 Ca 0.00 0.00 0.07 0.00 -2.87 0.00 0.00 58.31 55.52 2qbd n LYS 68 Cb 0.25 0.00 0.43 0.00 -1.84 0.00 0.00 35.03 33.87 2qbd n LYS 68 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30 2qbd n ASN 69 N -3.02 0.00 0.13 4.39 6.94 -1.26 -4.02 115.26 118.43 2qbd n ASN 69 Ca 0.00 -1.24 -0.13 0.00 -0.02 0.00 0.00 54.58 53.19 2qbd n ASN 69 Cb 0.00 0.00 -0.06 0.00 -2.36 0.00 0.00 39.78 37.36 2qbd n ASN 69 CO 0.00 0.00 0.00 0.50 -1.03 0.00 0.00 177.26 176.73 2qbd h LYS 70 N 0.00 -0.41 -0.75 -3.83 3.64 -1.89 0.21 116.57 113.53 2qbd h LYS 70 Ca 0.00 0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.37 2qbd h LYS 70 Cb 0.00 0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 31.88 2qbd h LYS 70 CO 0.00 -0.27 0.31 0.00 -2.27 0.00 0.00 179.45 177.21 2qbd h ALA 71 N 0.33 0.98 -0.42 5.00 0.00 -1.75 -2.03 119.26 121.37 2qbd h ALA 71 Ca 0.01 -0.19 0.06 0.00 0.00 0.00 0.00 54.91 54.80 2qbd h ALA 71 Cb 0.42 -0.30 -0.05 0.00 0.00 0.00 0.00 17.79 17.86 2qbd h ALA 71 CO -0.08 0.60 0.11 0.00 0.00 0.00 0.00 179.25 179.88 2qbd h ALA 72 N 1.16 0.47 -0.40 0.00 0.00 -1.66 -2.43 119.26 116.40 2qbd h ALA 72 Ca 0.25 0.07 -0.14 0.00 0.00 0.00 0.00 54.91 55.09 2qbd h ALA 72 Cb 0.20 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2qbd h ALA 72 CO -0.02 -0.29 -0.30 0.07 0.00 0.00 0.00 179.25 178.70 2qbd h ARG 73 N 0.25 0.92 -0.79 0.00 0.11 -0.79 -2.44 114.38 111.64 2qbd h ARG 73 Ca 0.20 -0.45 0.15 0.00 0.10 0.00 0.00 59.98 59.99 2qbd h ARG 73 Cb 0.22 -0.00 -0.15 0.00 1.11 0.00 0.00 29.97 31.15 2qbd h ARG 73 CO -0.24 1.10 -0.22 0.45 0.10 0.00 0.00 179.97 181.16 2qbd h HIS 74 N 0.74 -0.50 -0.09 4.08 3.86 -0.90 0.43 115.15 122.77 2qbd h HIS 74 Ca 0.08 0.07 -0.00 0.00 -1.16 0.00 0.00 60.37 59.36 2qbd h HIS 74 Cb 0.89 0.34 -0.00 0.00 1.06 0.00 0.00 27.41 29.70 2qbd h HIS 74 CO 0.06 -0.35 0.05 0.87 0.86 0.00 0.00 177.93 179.42 2qbd h LYS 75 N -0.02 0.13 -0.86 2.45 1.57 -1.35 -2.58 116.57 115.91 2qbd h LYS 75 Ca 0.37 -0.01 0.21 0.00 -1.87 0.00 0.00 60.65 59.35 2qbd h LYS 75 Cb 0.58 -0.03 -0.15 0.00 0.08 0.00 0.00 32.23 32.71 2qbd h LYS 75 CO -0.82 0.16 0.02 0.00 -0.57 0.00 0.00 179.45 178.25 2qbd h ALA 76 N 0.96 0.96 0.20 3.86 0.00 0.32 -0.17 119.26 125.40 2qbd h ALA 76 Ca 0.03 0.28 -0.01 0.00 0.00 0.00 0.00 54.91 55.22 2qbd h ALA 76 Cb 0.07 0.49 0.00 0.00 0.00 0.00 0.00 17.79 18.35 2qbd h ALA 76 CO -0.01 -0.47 -0.10 -0.91 0.00 0.00 0.00 179.25 177.76 2qbd h ASN 77 N 0.08 -0.23 -0.58 0.00 4.21 -1.13 -1.41 115.58 116.52 2qbd h ASN 77 Ca 0.50 0.01 0.17 0.00 1.21 0.00 0.00 56.30 58.18 2qbd h ASN 77 Cb 0.94 0.06 -0.02 0.00 -1.12 0.00 0.00 38.32 38.18 2qbd h ASN 77 CO -0.77 0.17 0.77 -0.07 -1.29 0.00 0.00 177.43 176.23 2qbd h LEU 78 N -0.94 0.00 0.00 1.61 3.38 -1.29 0.15 115.31 118.21 2qbd h LEU 78 Ca -0.03 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.84 2qbd h LEU 78 Cb 0.21 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 2qbd h LEU 78 CO 0.05 0.00 -0.58 0.74 0.09 0.00 0.00 178.44 178.73 2qbd h THR 79 N 0.00 1.19 0.00 0.22 2.02 -1.07 -2.80 112.91 112.48 2qbd h THR 79 Ca 0.27 -2.11 0.00 0.00 0.77 0.00 0.00 66.41 65.34 2qbd h THR 79 Cb 1.81 2.47 0.00 0.00 -1.74 0.00 0.00 68.15 70.69 2qbd h THR 79 CO -0.00 0.40 0.07 0.00 0.37 0.00 0.00 175.52 176.36 2qbd h ALA 80 N -0.34 1.06 0.07 6.16 0.00 0.35 -2.27 119.26 124.30 2qbd h ALA 80 Ca -0.15 0.00 -0.35 0.00 0.00 0.00 0.00 54.91 54.41 2qbd h ALA 80 Cb 1.04 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.80 2qbd h ALA 80 CO -0.09 -0.06 -1.97 1.04 0.00 0.00 0.00 179.25 178.16 2qbd n GLN 81 N -2.93 0.69 0.00 0.00 6.02 -0.10 -3.89 117.38 117.18 2qbd n GLN 81 Ca -0.03 0.30 0.07 0.00 -0.01 0.00 0.00 57.00 57.34 2qbd n GLN 81 Cb 0.13 -1.67 0.40 0.00 1.02 0.00 0.00 30.24 30.12 2qbd n GLN 81 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.06 176.49 2qbd n ILE 82 N -3.68 0.00 0.09 5.09 -6.64 -0.90 -1.80 119.36 111.51 2qbd n ILE 82 Ca -0.36 0.00 -0.23 0.00 -1.77 0.00 0.00 62.75 60.39 2qbd n ILE 82 Cb 0.96 -0.75 -0.15 0.00 -1.44 0.00 0.00 39.64 38.26 2qbd n ILE 82 CO 0.00 0.00 0.00 0.78 -1.77 0.00 0.00 176.55 175.56 2qbd h ASN 83 N 0.00 0.65 -3.63 7.28 2.35 -1.55 -3.44 115.58 117.25 2qbd h ASN 83 Ca 0.00 -0.93 -0.65 0.00 -0.55 0.00 0.00 56.30 54.17 2qbd h ASN 83 Cb 0.00 -0.21 -0.40 0.00 0.05 0.00 0.00 38.32 37.76 2qbd h ASN 83 CO 0.00 1.74 -0.72 -0.54 -1.65 0.00 0.00 177.43 176.26 2qbd s LYS 84 N -2.57 1.39 0.00 0.81 3.01 -0.75 -4.77 119.74 116.87 2qbd s LYS 84 Ca -0.15 -1.79 0.00 0.00 -1.01 0.00 0.00 55.97 53.03 2qbd s LYS 84 Cb 0.05 -3.07 0.00 0.00 -1.01 0.00 0.00 37.83 33.80 2qbd s LYS 84 CO 0.87 -0.94 0.00 1.47 0.51 0.00 0.00 175.35 177.25 2qbd n LEU 85 N 4.32 0.00 0.00 3.17 -0.00 -1.26 -4.93 117.00 118.30 2qbd n LEU 85 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.04 2qbd n LEU 85 Cb 0.42 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.84 2qbd n LEU 85 CO 0.21 0.00 0.06 0.00 -0.00 0.00 0.00 177.39 177.66