#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbd s LEU 3 N 0.00 3.15 0.36 -3.43 2.96 -1.26 -5.07 118.68 115.39 2qbd s LEU 3 Ca 0.00 -0.23 -0.28 0.00 -0.22 0.00 0.00 54.13 53.40 2qbd s LEU 3 Cb 0.00 -1.87 -0.11 0.00 0.50 0.00 0.00 46.19 44.71 2qbd s LEU 3 CO 0.00 0.24 1.48 -1.54 -1.32 0.00 0.00 176.35 175.21 2qbd n SER 4 N 1.17 3.66 -0.09 3.68 3.41 -1.26 -4.87 113.62 119.32 2qbd n SER 4 Ca -0.14 1.21 0.17 0.00 -0.26 0.00 0.00 58.87 59.85 2qbd n SER 4 Cb 0.52 -1.60 0.57 0.00 -0.26 0.00 0.00 64.21 63.45 2qbd n SER 4 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 2qbd h THR 5 N 2.97 0.79 0.29 6.66 1.35 -1.99 -1.28 112.91 121.70 2qbd h THR 5 Ca -0.49 -0.09 -0.01 0.00 -0.55 0.00 0.00 66.41 65.26 2qbd h THR 5 Cb 1.24 0.51 0.00 0.00 -1.73 0.00 0.00 68.15 68.18 2qbd h THR 5 CO 0.67 0.05 -0.14 -0.08 -0.25 0.00 0.00 175.52 175.76 2qbd h GLU 6 N 0.26 -0.38 -0.73 4.72 4.81 -2.00 -2.51 114.58 118.76 2qbd h GLU 6 Ca 0.31 0.03 0.21 0.00 -0.13 0.00 0.00 59.36 59.78 2qbd h GLU 6 Cb 0.85 0.09 -0.03 0.00 0.63 0.00 0.00 28.75 30.29 2qbd h GLU 6 CO -0.07 -0.25 0.72 0.00 -0.73 0.00 0.00 179.01 178.68 2qbd h ALA 7 N -1.40 2.53 0.10 2.92 0.00 -1.89 -0.26 119.26 121.26 2qbd h ALA 7 Ca -0.04 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 2qbd h ALA 7 Cb 0.30 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.14 2qbd h ALA 7 CO 0.07 -1.09 -0.05 1.15 0.00 0.00 0.00 179.25 179.33 2qbd h THR 8 N 0.00 0.00 -1.01 0.00 2.02 -1.20 -2.54 112.91 110.19 2qbd h THR 8 Ca 0.34 -0.08 0.24 0.00 0.77 0.00 0.00 66.41 67.69 2qbd h THR 8 Cb 1.78 0.00 -0.12 0.00 -1.74 0.00 0.00 68.15 68.07 2qbd h THR 8 CO -0.00 0.00 0.60 0.00 0.37 0.00 0.00 175.52 176.49 2qbd h ALA 9 N -1.86 1.80 -0.13 6.16 0.00 -0.87 0.26 119.26 124.62 2qbd h ALA 9 Ca -0.01 0.11 0.04 0.00 0.00 0.00 0.00 54.91 55.06 2qbd h ALA 9 Cb 0.10 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.84 2qbd h ALA 9 CO 0.02 -0.26 -0.17 -0.22 0.00 0.00 0.00 179.25 178.62 2qbd h LYS 10 N 0.60 -0.21 0.00 0.00 1.63 -1.13 -2.08 116.57 115.38 2qbd h LYS 10 Ca 0.63 0.01 -0.08 0.00 -0.85 0.00 0.00 60.65 60.36 2qbd h LYS 10 Cb 1.20 0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 32.86 2qbd h LYS 10 CO -0.45 -0.14 -0.40 0.97 -3.45 0.00 0.00 179.45 175.98 2qbd h ILE 11 N -0.22 0.93 0.00 2.00 2.10 -0.61 -2.80 117.51 118.92 2qbd h ILE 11 Ca 0.10 -1.58 0.00 0.00 1.08 0.00 0.00 64.86 64.46 2qbd h ILE 11 Cb 0.36 1.95 0.00 0.00 -1.09 0.00 0.00 36.82 38.04 2qbd h ILE 11 CO -0.26 0.39 0.00 0.58 -1.08 0.00 0.00 178.15 177.78 2qbd h VAL 12 N 0.00 0.00 0.03 2.19 2.07 -0.33 -2.85 116.25 117.36 2qbd h VAL 12 Ca -0.00 -0.24 -0.28 0.00 0.82 0.00 0.00 66.70 66.99 2qbd h VAL 12 Cb 0.92 1.24 -0.03 0.00 -1.52 0.00 0.00 31.29 31.90 2qbd h VAL 12 CO 0.05 0.00 -1.55 -1.20 0.02 0.00 0.00 177.57 174.90 2qbd n SER 13 N -3.08 1.93 0.33 0.57 7.64 -1.05 -1.05 113.62 118.91 2qbd n SER 13 Ca -0.01 0.36 0.21 0.00 1.01 0.00 0.00 58.87 60.43 2qbd n SER 13 Cb 0.18 -0.92 1.12 0.00 -1.01 0.00 0.00 64.21 63.58 2qbd n SER 13 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 2qbd h GLU 14 N -0.75 0.00 0.00 1.43 5.08 -1.44 -3.19 114.58 115.71 2qbd h GLU 14 Ca -0.40 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.96 2qbd h GLU 14 Cb 1.50 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.75 2qbd h GLU 14 CO -0.16 0.00 -0.64 1.19 -1.00 0.00 0.00 179.01 178.41 2qbd n PHE 15 N -3.25 0.00 -1.85 4.33 3.01 -1.09 -5.07 117.46 113.55 2qbd n PHE 15 Ca -0.03 0.00 -0.39 0.00 1.01 0.00 0.00 57.45 58.05 2qbd n PHE 15 Cb 0.09 0.00 0.03 0.00 -0.01 0.00 0.00 39.48 39.59 2qbd n PHE 15 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 2qbd s GLY 16 N -1.37 2.89 0.14 1.37 0.00 -0.21 -4.41 107.32 105.73 2qbd s GLY 16 Ca 0.00 1.32 0.05 0.00 0.00 0.00 0.00 44.72 46.09 2qbd s GLY 16 CO 0.00 1.86 0.99 0.54 0.00 0.00 0.00 173.10 176.49 2qbd n ARG 17 N -0.72 0.04 0.00 2.90 5.12 -1.26 -4.61 116.66 118.13 2qbd n ARG 17 Ca 0.08 0.40 0.00 0.00 -1.93 0.00 0.00 57.85 56.41 2qbd n ARG 17 Cb 0.44 -1.89 0.00 0.00 -1.16 0.00 0.00 32.46 29.86 2qbd n ARG 17 CO 0.00 0.00 0.00 -0.40 -1.93 0.00 0.00 177.63 175.30 2qbd n ASP 18 N -1.61 0.00 0.00 0.55 5.68 -1.26 -5.15 116.55 114.76 2qbd n ASP 18 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 2qbd n ASP 18 Cb 0.28 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.26 2qbd n ASP 18 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2qbd n ALA 19 N 0.00 0.00 0.00 2.12 0.00 -1.26 -4.81 120.51 116.56 2qbd n ALA 19 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2qbd n ALA 19 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2qbd n ALA 19 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2qbd n ASN 20 N 0.00 0.00 -4.73 0.00 5.15 -1.26 -4.92 115.26 109.49 2qbd n ASN 20 Ca 0.00 0.00 -0.35 0.00 -0.60 0.00 0.00 54.58 53.63 2qbd n ASN 20 Cb 0.00 -0.60 -0.08 0.00 -0.53 0.00 0.00 39.78 38.57 2qbd n ASN 20 CO 0.00 0.00 0.00 1.51 1.40 0.00 0.00 177.26 180.17 2qbd s ASP 21 N -2.10 6.22 -0.02 1.20 -4.77 -1.26 -4.96 116.67 110.98 2qbd s ASP 21 Ca 0.00 0.25 0.03 0.00 -3.30 0.00 0.00 52.55 49.52 2qbd s ASP 21 Cb 0.00 -2.09 0.04 0.00 -1.09 0.00 0.00 42.92 39.78 2qbd s ASP 21 CO 0.00 0.18 0.91 0.35 0.70 0.00 0.00 175.17 177.31 2qbd n THR 22 N 3.50 0.86 0.15 2.11 -2.24 -1.26 -4.70 114.28 112.69 2qbd n THR 22 Ca -0.16 -0.92 0.11 0.00 -2.27 0.00 0.00 64.05 60.82 2qbd n THR 22 Cb 0.52 0.50 -0.07 0.00 -2.10 0.00 0.00 70.33 69.18 2qbd n THR 22 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qbd n GLY 23 N -0.50 -1.23 3.63 3.38 0.00 -1.26 -4.64 105.19 104.56 2qbd n GLY 23 Ca 0.02 -0.38 -0.57 0.00 0.00 0.00 0.00 46.02 45.09 2qbd n GLY 23 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2qbd n SER 24 N -2.37 1.42 -0.10 1.61 2.88 -1.26 -4.77 113.62 111.03 2qbd n SER 24 Ca -0.01 1.13 -0.07 0.00 -1.33 0.00 0.00 58.87 58.58 2qbd n SER 24 Cb 0.54 -1.08 -0.01 0.00 -0.75 0.00 0.00 64.21 62.91 2qbd n SER 24 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 2qbd h THR 25 N 4.00 0.28 -0.57 2.46 2.02 -1.96 -0.14 112.91 119.01 2qbd h THR 25 Ca -0.48 0.00 0.12 0.00 0.77 0.00 0.00 66.41 66.82 2qbd h THR 25 Cb 1.36 0.28 -0.10 0.00 -1.74 0.00 0.00 68.15 67.95 2qbd h THR 25 CO 0.83 0.00 -0.05 -0.33 0.37 0.00 0.00 175.52 176.33 2qbd h GLU 26 N -0.24 0.07 0.14 6.66 3.07 -1.88 -1.23 114.58 121.16 2qbd h GLU 26 Ca 0.17 -0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.03 2qbd h GLU 26 Cb 0.51 -0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.38 2qbd h GLU 26 CO -0.50 0.04 -0.30 0.28 -1.40 0.00 0.00 179.01 177.14 2qbd h VAL 27 N 0.07 0.00 -0.62 3.13 2.07 -1.28 -0.38 116.25 119.24 2qbd h VAL 27 Ca 0.29 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.87 2qbd h VAL 27 Cb 0.45 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.12 2qbd h VAL 27 CO -0.52 0.00 -0.57 1.56 0.02 0.00 0.00 177.57 178.06 2qbd h GLN 28 N -0.48 -0.25 -0.64 1.57 4.20 -0.79 0.52 115.11 119.24 2qbd h GLN 28 Ca -0.01 0.02 0.12 0.00 0.06 0.00 0.00 58.65 58.83 2qbd h GLN 28 Cb 0.46 0.06 -0.12 0.00 0.30 0.00 0.00 27.48 28.17 2qbd h GLN 28 CO -0.12 -0.17 -0.26 0.28 -0.67 0.00 0.00 178.83 177.89 2qbd h VAL 29 N -0.26 0.23 0.12 -0.54 2.07 -1.05 0.25 116.25 117.07 2qbd h VAL 29 Ca 0.10 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.62 2qbd h VAL 29 Cb 0.53 0.23 0.00 0.00 -1.52 0.00 0.00 31.29 30.53 2qbd h VAL 29 CO -0.72 0.00 -0.06 0.00 0.02 0.00 0.00 177.57 176.82 2qbd h ALA 30 N 1.31 -0.16 -0.68 1.67 0.00 0.63 -1.77 119.26 120.26 2qbd h ALA 30 Ca 0.28 -0.05 0.13 0.00 0.00 0.00 0.00 54.91 55.27 2qbd h ALA 30 Cb 0.53 0.06 -0.09 0.00 0.00 0.00 0.00 17.79 18.29 2qbd h ALA 30 CO -0.69 -0.58 0.23 -0.07 0.00 0.00 0.00 179.25 178.14 2qbd h LEU 31 N -0.19 0.17 -0.01 0.00 3.38 0.14 -2.01 115.31 116.80 2qbd h LEU 31 Ca -0.02 0.11 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 2qbd h LEU 31 Cb 0.15 0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 2qbd h LEU 31 CO 0.03 0.07 0.00 -0.07 0.09 0.00 0.00 178.44 178.56 2qbd h LEU 32 N 0.37 0.01 -1.84 1.67 -0.00 -0.32 -2.56 115.31 112.64 2qbd h LEU 32 Ca 0.37 -0.08 0.25 0.00 -0.00 0.00 0.00 57.88 58.41 2qbd h LEU 32 Cb 0.54 -0.00 -0.05 0.00 -0.00 0.00 0.00 40.66 41.15 2qbd h LEU 32 CO -0.39 0.09 0.64 0.74 -0.00 0.00 0.00 178.44 179.51 2qbd h THR 33 N -0.07 0.57 0.49 0.22 2.02 -0.61 0.80 112.91 116.33 2qbd h THR 33 Ca 0.00 -0.04 -0.02 0.00 0.77 0.00 0.00 66.41 67.12 2qbd h THR 33 Cb 0.08 0.45 0.00 0.00 -1.74 0.00 0.00 68.15 66.94 2qbd h THR 33 CO -0.00 0.02 -0.27 0.00 0.37 0.00 0.00 175.52 175.64 2qbd h ALA 34 N 1.57 -1.14 -0.80 6.16 0.00 -1.01 0.23 119.26 124.27 2qbd h ALA 34 Ca 0.45 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 55.23 2qbd h ALA 34 Cb 1.59 0.36 -0.04 0.00 0.00 0.00 0.00 17.79 19.69 2qbd h ALA 34 CO -0.06 -1.11 0.52 1.96 0.00 0.00 0.00 179.25 180.56 2qbd h GLN 35 N -0.71 1.01 -0.55 0.00 4.20 -1.41 0.42 115.11 118.07 2qbd h GLN 35 Ca -0.07 -0.06 0.10 0.00 0.06 0.00 0.00 58.65 58.69 2qbd h GLN 35 Cb 0.56 -0.23 -0.08 0.00 0.30 0.00 0.00 27.48 28.03 2qbd h GLN 35 CO 0.08 0.67 0.09 0.82 -0.67 0.00 0.00 178.83 179.82 2qbd h ILE 36 N 1.04 0.65 0.07 2.54 1.08 -0.77 0.55 117.51 122.67 2qbd h ILE 36 Ca 0.30 -0.08 -0.17 0.00 -0.39 0.00 0.00 64.86 64.52 2qbd h ILE 36 Cb -0.06 0.41 0.02 0.00 -3.07 0.00 0.00 36.82 34.12 2qbd h ILE 36 CO -0.09 0.04 -0.72 0.78 -0.69 0.00 0.00 178.15 177.47 2qbd h ASN 37 N 0.22 0.52 -0.14 1.72 -0.26 -0.41 -3.16 115.58 114.07 2qbd h ASN 37 Ca 0.28 -0.85 -0.02 0.00 -0.56 0.00 0.00 56.30 55.15 2qbd h ASN 37 Cb 0.42 -0.16 -0.01 0.00 -1.06 0.00 0.00 38.32 37.50 2qbd h ASN 37 CO -0.39 1.31 0.04 -0.74 -1.06 0.00 0.00 177.43 176.59 2qbd h HIS 38 N -0.21 0.30 0.00 1.19 2.76 0.14 -2.21 115.15 117.12 2qbd h HIS 38 Ca -0.11 -0.01 -0.11 0.00 -2.20 0.00 0.00 60.37 57.94 2qbd h HIS 38 Cb 1.49 -0.09 -0.02 0.00 1.55 0.00 0.00 27.41 30.33 2qbd h HIS 38 CO 0.17 0.29 -0.52 -0.07 -1.30 0.00 0.00 177.93 176.50 2qbd h LEU 39 N 0.30 0.00 -1.57 0.26 4.07 0.02 -3.13 115.31 115.26 2qbd h LEU 39 Ca 0.07 0.00 0.25 0.00 0.08 0.00 0.00 57.88 58.28 2qbd h LEU 39 Cb 0.15 0.00 -0.07 0.00 1.08 0.00 0.00 40.66 41.82 2qbd h LEU 39 CO -0.00 0.52 0.66 1.56 -1.08 0.00 0.00 178.44 180.09 2qbd h GLN 40 N 0.00 0.30 -0.05 1.13 4.20 -1.35 0.19 115.11 119.52 2qbd h GLN 40 Ca -0.01 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.67 2qbd h GLN 40 Cb 1.11 -0.07 -0.00 0.00 0.30 0.00 0.00 27.48 28.83 2qbd h GLN 40 CO 0.07 0.20 -0.02 0.78 -0.67 0.00 0.00 178.83 179.18 2qbd h GLY 41 N 0.31 0.12 1.38 3.46 0.00 -1.68 0.53 103.07 107.18 2qbd h GLY 41 Ca 0.52 -0.10 0.04 0.00 0.00 0.00 0.00 47.33 47.79 2qbd h GLY 41 CO -0.18 0.10 0.33 0.84 0.00 0.00 0.00 176.54 177.63 2qbd h HIS 42 N -0.28 0.52 0.00 5.60 -0.00 -0.88 -2.17 115.15 117.94 2qbd h HIS 42 Ca 0.01 0.01 -0.18 0.00 -0.00 0.00 0.00 60.37 60.21 2qbd h HIS 42 Cb 0.46 -0.17 -0.03 0.00 -0.00 0.00 0.00 27.41 27.67 2qbd h HIS 42 CO 0.07 0.30 -1.24 0.74 -0.00 0.00 0.00 177.93 177.80 2qbd h PHE 43 N 0.54 0.00 -0.24 5.26 -1.00 -0.70 -3.24 116.94 117.55 2qbd h PHE 43 Ca 0.21 0.00 0.06 0.00 2.81 0.00 0.00 57.97 61.04 2qbd h PHE 43 Cb 0.14 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.69 2qbd h PHE 43 CO -0.00 0.68 0.17 0.00 -1.61 0.00 0.00 178.31 177.55 2qbd h ALA 44 N 1.32 2.16 -2.42 2.45 0.00 0.72 -3.22 119.26 120.27 2qbd h ALA 44 Ca -0.14 -0.01 -0.55 0.00 0.00 0.00 0.00 54.91 54.22 2qbd h ALA 44 Cb 1.64 -0.00 -0.07 0.00 0.00 0.00 0.00 17.79 19.36 2qbd h ALA 44 CO 0.06 -0.22 -0.58 -2.00 0.00 0.00 0.00 179.25 176.52 2qbd s GLU 45 N -5.10 2.69 0.00 0.00 2.12 -1.07 -4.71 118.70 112.64 2qbd s GLU 45 Ca -0.05 -1.11 0.00 0.00 0.36 0.00 0.00 54.97 54.17 2qbd s GLU 45 Cb 0.18 -2.46 0.00 0.00 0.26 0.00 0.00 34.13 32.11 2qbd s GLU 45 CO 0.70 0.42 0.00 0.72 -0.54 0.00 0.00 175.26 176.56 2qbd n HIS 46 N -0.77 0.00 0.00 5.30 8.25 -1.26 -4.82 115.22 121.92 2qbd n HIS 46 Ca -0.08 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.38 2qbd n HIS 46 Cb 0.57 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.68 2qbd n HIS 46 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2qbd n LYS 47 N 0.00 0.00 0.00 -0.41 5.02 -1.21 -4.45 118.16 117.10 2qbd n LYS 47 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2qbd n LYS 47 Cb 0.00 0.00 0.02 0.00 -0.02 0.00 0.00 35.03 35.03 2qbd n LYS 47 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2qbd n LYS 48 N 0.00 0.02 -1.75 1.97 4.76 -1.26 -4.08 118.16 117.82 2qbd n LYS 48 Ca 0.00 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 55.02 2qbd n LYS 48 Cb 0.00 -1.44 -0.00 0.00 -1.84 0.00 0.00 35.03 31.75 2qbd n LYS 48 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 2qbd n ASP 49 N -0.94 4.56 0.17 4.39 2.03 -1.26 -4.74 116.55 120.76 2qbd n ASP 49 Ca 0.00 -2.84 -0.14 0.00 0.52 0.00 0.00 54.79 52.33 2qbd n ASP 49 Cb 0.00 -1.63 -0.08 0.00 -0.72 0.00 0.00 41.12 38.69 2qbd n ASP 49 CO 0.00 0.00 0.00 0.45 -1.92 0.00 0.00 177.20 175.73 2qbd h HIS 50 N 5.85 -0.34 -1.08 -0.67 3.86 -1.99 -2.87 115.15 117.90 2qbd h HIS 50 Ca 0.59 -0.01 0.32 0.00 -1.16 0.00 0.00 60.37 60.11 2qbd h HIS 50 Cb 0.60 0.11 -0.12 0.00 1.06 0.00 0.00 27.41 29.06 2qbd h HIS 50 CO 1.49 -0.17 0.66 0.45 0.86 0.00 0.00 177.93 181.23 2qbd h HIS 51 N -0.44 0.77 -0.06 2.45 3.86 -1.96 0.86 115.15 120.63 2qbd h HIS 51 Ca -0.04 0.03 -0.17 0.00 -1.16 0.00 0.00 60.37 59.03 2qbd h HIS 51 Cb 0.33 -0.21 -0.01 0.00 1.06 0.00 0.00 27.41 28.58 2qbd h HIS 51 CO -0.04 -0.08 -0.71 0.77 0.86 0.00 0.00 177.93 178.73 2qbd h SER 52 N 0.33 0.35 -0.67 2.45 0.02 -1.93 -3.07 113.55 111.02 2qbd h SER 52 Ca 0.70 -0.23 0.01 0.00 -0.84 0.00 0.00 61.79 61.43 2qbd h SER 52 Cb 1.76 -0.10 -0.03 0.00 0.14 0.00 0.00 62.40 64.17 2qbd h SER 52 CO -0.46 0.94 0.44 -0.09 -1.14 0.00 0.00 176.83 176.53 2qbd h ARG 53 N 0.20 0.87 -0.93 3.45 9.65 0.91 -1.76 114.38 126.77 2qbd h ARG 53 Ca -0.02 -0.05 0.26 0.00 -1.10 0.00 0.00 59.98 59.06 2qbd h ARG 53 Cb 1.27 -0.20 -0.14 0.00 -1.39 0.00 0.00 29.97 29.51 2qbd h ARG 53 CO 0.11 0.58 0.40 0.00 2.80 0.00 0.00 179.97 183.86 2qbd h ARG 54 N 0.90 0.30 -0.29 0.20 2.47 -1.13 0.48 114.38 117.31 2qbd h ARG 54 Ca 0.25 -0.02 -0.09 0.00 -1.26 0.00 0.00 59.98 58.86 2qbd h ARG 54 Cb -0.10 -0.07 -0.01 0.00 -1.65 0.00 0.00 29.97 28.15 2qbd h ARG 54 CO -0.06 0.20 -0.18 0.78 0.56 0.00 0.00 179.97 181.28 2qbd h GLY 55 N 0.31 0.69 0.15 0.04 0.00 -1.41 -2.84 103.07 100.01 2qbd h GLY 55 Ca 0.62 -0.64 0.01 0.00 0.00 0.00 0.00 47.33 47.31 2qbd h GLY 55 CO -0.60 0.58 -0.49 -2.00 0.00 0.00 0.00 176.54 174.03 2qbd h LEU 56 N 0.38 -1.48 -0.90 3.11 5.85 0.33 -2.12 115.31 120.49 2qbd h LEU 56 Ca 0.06 0.15 0.16 0.00 0.84 0.00 0.00 57.88 59.09 2qbd h LEU 56 Cb 0.71 0.54 -0.10 0.00 0.37 0.00 0.00 40.66 42.18 2qbd h LEU 56 CO 0.05 -0.53 0.49 -0.07 -0.34 0.00 0.00 178.44 178.04 2qbd h LEU 57 N -0.73 0.60 -1.64 2.25 4.07 -1.18 0.15 115.31 118.84 2qbd h LEU 57 Ca -0.01 0.09 0.11 0.00 0.08 0.00 0.00 57.88 58.16 2qbd h LEU 57 Cb 0.72 -0.01 -0.04 0.00 1.08 0.00 0.00 40.66 42.42 2qbd h LEU 57 CO -0.25 0.24 0.43 -0.09 -1.08 0.00 0.00 178.44 177.69 2qbd h ARG 58 N 0.67 0.38 -0.10 1.13 2.43 -1.13 0.18 114.38 117.94 2qbd h ARG 58 Ca 0.50 -0.02 -0.13 0.00 -0.81 0.00 0.00 59.98 59.52 2qbd h ARG 58 Cb 0.73 -0.09 0.01 0.00 -0.42 0.00 0.00 29.97 30.20 2qbd h ARG 58 CO -0.37 0.25 -0.45 0.52 -1.51 0.00 0.00 179.97 178.41 2qbd h MET 59 N 0.39 0.47 0.54 0.20 0.00 -0.31 -2.23 114.93 113.99 2qbd h MET 59 Ca 0.30 -0.38 -0.03 0.00 0.00 0.00 0.00 59.70 59.60 2qbd h MET 59 Cb 0.64 0.08 0.01 0.00 0.00 0.00 0.00 31.60 32.33 2qbd h MET 59 CO -0.08 1.01 -0.26 0.28 0.00 0.00 0.00 176.91 177.86 2qbd h VAL 60 N 0.04 0.00 -1.05 -2.22 2.07 -0.57 0.23 116.25 114.75 2qbd h VAL 60 Ca -0.03 -0.02 0.29 0.00 0.82 0.00 0.00 66.70 67.76 2qbd h VAL 60 Cb 1.09 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 30.74 2qbd h VAL 60 CO 0.09 0.00 0.65 0.77 0.02 0.00 0.00 177.57 179.10 2qbd h SER 61 N -0.74 0.51 0.18 0.57 4.64 -0.82 0.19 113.55 118.08 2qbd h SER 61 Ca -0.07 0.12 -0.01 0.00 -0.47 0.00 0.00 61.79 61.36 2qbd h SER 61 Cb 0.55 0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.69 2qbd h SER 61 CO 0.12 0.03 -0.09 -0.61 -0.87 0.00 0.00 176.83 175.41 2qbd h GLN 62 N 0.41 -0.24 -0.98 4.77 4.15 -1.18 -2.91 115.11 119.12 2qbd h GLN 62 Ca 0.66 0.02 0.18 0.00 0.77 0.00 0.00 58.65 60.27 2qbd h GLN 62 Cb 1.56 0.05 -0.09 0.00 0.21 0.00 0.00 27.48 29.21 2qbd h GLN 62 CO -0.41 0.14 0.61 -0.09 -1.93 0.00 0.00 178.83 177.16 2qbd h ARG 63 N -0.70 0.72 -0.88 1.69 2.43 0.14 0.39 114.38 118.18 2qbd h ARG 63 Ca -0.03 -0.04 0.11 0.00 -0.81 0.00 0.00 59.98 59.21 2qbd h ARG 63 Cb 0.49 -0.16 -0.06 0.00 -0.42 0.00 0.00 29.97 29.81 2qbd h ARG 63 CO 0.04 0.48 0.57 -0.09 -1.51 0.00 0.00 179.97 179.46 2qbd h ARG 64 N 0.75 0.80 -0.05 0.20 9.65 -0.61 0.64 114.38 125.76 2qbd h ARG 64 Ca 0.54 -0.05 -0.11 0.00 -1.10 0.00 0.00 59.98 59.26 2qbd h ARG 64 Cb 0.86 -0.18 0.01 0.00 -1.39 0.00 0.00 29.97 29.27 2qbd h ARG 64 CO -0.32 0.53 -0.41 0.87 2.80 0.00 0.00 179.97 183.44 2qbd h LYS 65 N 0.83 0.37 -0.28 0.20 1.57 -0.08 -0.84 116.57 118.34 2qbd h LYS 65 Ca 0.41 -0.33 0.04 0.00 -1.87 0.00 0.00 60.65 58.90 2qbd h LYS 65 Cb 0.47 0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.82 2qbd h LYS 65 CO -0.18 0.99 0.07 -0.07 -0.57 0.00 0.00 179.45 179.69 2qbd h LEU 66 N -0.14 0.04 0.48 2.94 -0.00 -0.69 0.63 115.31 118.57 2qbd h LEU 66 Ca -0.04 0.04 -0.02 0.00 -0.00 0.00 0.00 57.88 57.86 2qbd h LEU 66 Cb 1.09 0.05 0.00 0.00 -0.00 0.00 0.00 40.66 41.80 2qbd h LEU 66 CO 0.08 0.06 -0.23 -0.07 -0.00 0.00 0.00 178.44 178.28 2qbd h LEU 67 N 0.18 -0.55 -0.70 1.67 3.38 -0.94 0.93 115.31 119.27 2qbd h LEU 67 Ca 0.13 -0.02 0.12 0.00 0.09 0.00 0.00 57.88 58.20 2qbd h LEU 67 Cb 0.12 0.14 -0.09 0.00 0.09 0.00 0.00 40.66 40.93 2qbd h LEU 67 CO -0.16 -0.34 0.28 0.44 0.09 0.00 0.00 178.44 178.76 2qbd h ASP 68 N -0.71 0.28 0.04 -0.43 5.19 -0.89 -1.02 116.42 118.87 2qbd h ASP 68 Ca -0.07 0.09 -0.00 0.00 -0.62 0.00 0.00 57.03 56.44 2qbd h ASP 68 Cb 0.53 0.07 0.00 0.00 0.18 0.00 0.00 39.33 40.11 2qbd h ASP 68 CO 0.11 0.13 -0.02 0.22 -3.12 0.00 0.00 179.24 176.56 2qbd h TYR 69 N 0.45 -0.04 -0.63 4.55 3.20 0.52 -2.82 116.97 122.20 2qbd h TYR 69 Ca 0.37 -0.00 0.11 0.00 3.14 0.00 0.00 58.73 62.35 2qbd h TYR 69 Cb 0.51 0.01 -0.08 0.00 1.54 0.00 0.00 36.73 38.72 2qbd h TYR 69 CO -0.16 -0.01 0.22 1.25 -1.64 0.00 0.00 178.16 177.82 2qbd h LEU 70 N -0.07 0.18 -1.30 2.82 7.12 0.09 0.20 115.31 124.36 2qbd h LEU 70 Ca -0.00 0.09 0.12 0.00 0.13 0.00 0.00 57.88 58.22 2qbd h LEU 70 Cb 0.06 0.08 -0.06 0.00 -0.53 0.00 0.00 40.66 40.21 2qbd h LEU 70 CO 0.01 0.10 0.55 0.50 -0.13 0.00 0.00 178.44 179.47 2qbd h LYS 71 N 0.38 0.71 -0.09 1.25 3.64 -0.98 0.12 116.57 121.59 2qbd h LYS 71 Ca 0.33 -0.04 -0.22 0.00 -1.27 0.00 0.00 60.65 59.44 2qbd h LYS 71 Cb 0.44 -0.16 0.01 0.00 -0.41 0.00 0.00 32.23 32.11 2qbd h LYS 71 CO -0.34 0.47 -0.82 0.00 -2.27 0.00 0.00 179.45 176.49 2qbd h ARG 72 N 0.73 0.72 0.00 1.90 3.08 -0.78 -3.06 114.38 116.97 2qbd h ARG 72 Ca 0.41 -0.65 -0.02 0.00 0.07 0.00 0.00 59.98 59.80 2qbd h ARG 72 Cb 0.58 0.15 -0.00 0.00 0.08 0.00 0.00 29.97 30.78 2qbd h ARG 72 CO -0.18 1.25 -0.08 0.87 -1.07 0.00 0.00 179.97 180.76 2qbd h LYS 73 N 0.41 0.00 -0.09 0.04 1.79 -0.65 -3.44 116.57 114.63 2qbd h LYS 73 Ca -0.08 0.00 0.26 0.00 -2.18 0.00 0.00 60.65 58.66 2qbd h LYS 73 Cb 1.46 0.00 -0.19 0.00 -1.58 0.00 0.00 32.23 31.92 2qbd h LYS 73 CO 0.17 0.08 0.09 0.34 -1.08 0.00 0.00 179.45 179.04 2qbd s ASP 74 N -6.18 -0.15 0.35 0.86 -1.08 0.35 -5.04 116.67 105.79 2qbd s ASP 74 Ca 0.06 0.02 0.09 0.00 -0.52 0.00 0.00 52.55 52.20 2qbd s ASP 74 Cb 0.06 1.10 0.82 0.00 -1.46 0.00 0.00 42.92 43.43 2qbd s ASP 74 CO 0.66 -0.03 1.87 0.58 0.52 0.00 0.00 175.17 178.77 2qbd h VAL 75 N 4.29 0.83 0.00 1.11 2.07 -1.69 -3.13 116.25 119.72 2qbd h VAL 75 Ca -0.11 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.17 2qbd h VAL 75 Cb 1.17 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 31.02 2qbd h VAL 75 CO -0.16 0.13 0.00 0.00 0.02 0.00 0.00 177.57 177.56 2qbd n ALA 76 N -2.43 -0.01 -0.39 1.67 0.00 -1.26 -1.26 120.51 116.83 2qbd n ALA 76 Ca 0.18 0.00 0.35 0.00 0.00 0.00 0.00 53.44 53.96 2qbd n ALA 76 Cb 0.48 0.15 0.62 0.00 0.00 0.00 0.00 19.45 20.69 2qbd n ALA 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qbd h ARG 77 N 0.00 0.05 0.78 0.00 3.08 -1.92 -0.08 114.38 116.28 2qbd h ARG 77 Ca 0.00 -0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.01 2qbd h ARG 77 Cb 0.00 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.04 2qbd h ARG 77 CO 0.00 0.03 -0.42 -0.92 -1.07 0.00 0.00 179.97 177.59 2qbd h TYR 78 N 0.05 -1.11 -0.72 3.04 3.20 -1.38 0.17 116.97 120.21 2qbd h TYR 78 Ca 0.84 -0.02 0.12 0.00 3.14 0.00 0.00 58.73 62.81 2qbd h TYR 78 Cb 2.44 0.38 -0.08 0.00 1.54 0.00 0.00 36.73 41.01 2qbd h TYR 78 CO -0.01 -0.65 0.31 1.79 -1.64 0.00 0.00 178.16 177.96 2qbd h THR 79 N -1.10 0.74 -0.10 1.81 1.35 0.38 -2.21 112.91 113.78 2qbd h THR 79 Ca -0.11 -0.17 -0.01 0.00 -0.55 0.00 0.00 66.41 65.57 2qbd h THR 79 Cb 0.87 0.20 -0.00 0.00 -1.73 0.00 0.00 68.15 67.48 2qbd h THR 79 CO 0.14 0.09 0.01 1.56 -0.25 0.00 0.00 175.52 177.07 2qbd h GLN 80 N 0.50 0.17 -0.51 4.72 4.20 -1.34 -3.09 115.11 119.76 2qbd h GLN 80 Ca 0.38 -0.05 0.10 0.00 0.06 0.00 0.00 58.65 59.14 2qbd h GLN 80 Cb 0.50 -0.02 -0.10 0.00 0.30 0.00 0.00 27.48 28.17 2qbd h GLN 80 CO -0.34 0.41 -0.14 1.25 -0.67 0.00 0.00 178.83 179.34 2qbd h LEU 81 N -0.10 -0.50 -1.16 1.46 6.46 -0.12 -0.79 115.31 120.56 2qbd h LEU 81 Ca 0.03 0.16 0.07 0.00 -0.12 0.00 0.00 57.88 58.01 2qbd h LEU 81 Cb 0.33 0.33 -0.06 0.00 -0.73 0.00 0.00 40.66 40.53 2qbd h LEU 81 CO 0.00 -0.18 0.59 0.40 -0.62 0.00 0.00 178.44 178.63 2qbd h ILE 82 N -0.01 1.05 0.07 4.05 2.04 -1.42 -2.82 117.51 120.46 2qbd h ILE 82 Ca 0.25 -0.34 0.02 0.00 1.00 0.00 0.00 64.86 65.78 2qbd h ILE 82 Cb 0.39 -0.04 -0.02 0.00 -0.74 0.00 0.00 36.82 36.40 2qbd h ILE 82 CO -0.53 0.18 -0.16 -0.08 0.00 0.00 0.00 178.15 177.56 2qbd h GLU 83 N 1.00 -0.29 -0.19 2.37 4.57 -1.06 1.31 114.58 122.30 2qbd h GLU 83 Ca 0.39 0.02 -0.05 0.00 -1.18 0.00 0.00 59.36 58.54 2qbd h GLU 83 Cb 0.23 0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.88 2qbd h GLU 83 CO -0.15 -0.19 -0.12 0.00 -1.18 0.00 0.00 179.01 177.36 2qbd h ARG 84 N -0.30 0.31 -0.02 1.92 3.08 -1.36 -2.45 114.38 115.57 2qbd h ARG 84 Ca 0.03 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.01 2qbd h ARG 84 Cb 0.33 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.34 2qbd h ARG 84 CO -0.11 0.44 -0.22 1.28 -1.07 0.00 0.00 179.97 180.30 2qbd n LEU 85 N -4.25 2.14 -3.58 3.04 4.32 -1.06 -5.01 117.00 112.60 2qbd n LEU 85 Ca -0.00 -0.73 -0.19 0.00 -0.02 0.00 0.00 56.01 55.07 2qbd n LEU 85 Cb 0.28 -0.02 0.00 0.00 -1.62 0.00 0.00 43.42 42.06 2qbd n LEU 85 CO 0.39 0.37 -0.09 0.61 -1.22 0.00 0.00 177.39 177.45 2qbd n GLY 86 N 1.35 -1.24 0.00 -0.72 0.00 0.45 -5.00 105.19 100.03 2qbd n GLY 86 Ca 0.13 0.60 0.00 0.00 0.00 0.00 0.00 46.02 46.75 2qbd n GLY 86 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2qbd n LEU 87 N -2.27 0.00 -3.58 0.99 4.77 -0.90 -4.89 117.00 111.11 2qbd n LEU 87 Ca -0.22 0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 55.54 2qbd n LEU 87 Cb 0.64 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.78 2qbd n LEU 87 CO 0.60 0.00 -0.03 -1.14 -1.33 0.00 0.00 177.39 175.49 2qbd n ARG 88 N 0.00 -3.82 -0.38 3.23 3.00 -1.26 -4.93 116.66 112.50 2qbd n ARG 88 Ca 0.00 0.66 0.00 0.00 -0.00 0.00 0.00 57.85 58.51 2qbd n ARG 88 Cb 0.00 -5.16 0.00 0.00 0.00 0.00 0.00 32.46 27.30 2qbd n ARG 88 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17