#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qb1 s ILE 16 N 0.00 3.79 -0.16 2.46 1.01 -1.26 -5.06 121.20 121.98 2qb1 s ILE 16 Ca 0.00 -2.42 -0.02 0.00 0.00 0.00 0.00 60.65 58.21 2qb1 s ILE 16 Cb 0.00 -3.50 -0.02 0.00 0.01 0.00 0.00 42.46 38.95 2qb1 s ILE 16 CO 0.00 -0.81 -0.08 0.00 0.00 0.00 0.00 174.94 174.05 2qb1 s ALA 17 N 0.61 2.76 0.42 9.38 0.00 -1.26 -5.06 121.76 128.61 2qb1 s ALA 17 Ca 0.12 -0.95 -0.27 0.00 0.00 0.00 0.00 51.96 50.86 2qb1 s ALA 17 Cb -0.22 -1.43 -0.09 0.00 0.00 0.00 0.00 23.12 21.38 2qb1 s ALA 17 CO -0.03 0.05 1.45 -0.51 0.00 0.00 0.00 175.76 176.71 2qb1 s LEU 18 N 0.67 4.21 0.69 0.00 1.43 -1.26 -4.98 118.68 119.45 2qb1 s LEU 18 Ca -0.04 2.97 -0.17 0.00 -1.03 0.00 0.00 54.13 55.86 2qb1 s LEU 18 Cb -0.15 -3.81 0.01 0.00 0.03 0.00 0.00 46.19 42.27 2qb1 s LEU 18 CO 0.02 -1.03 1.14 -0.81 0.23 0.00 0.00 176.35 175.91 2qb1 n PRO 19 N 0.12 0.74 -0.35 1.29 -0.04 -1.26 -4.78 135.00 130.72 2qb1 n PRO 19 Ca 0.03 0.31 0.27 0.00 -0.04 0.00 0.00 63.50 64.07 2qb1 n PRO 19 Cb 0.41 -2.38 0.56 0.00 -0.04 0.00 0.00 33.50 32.05 2qb1 n PRO 19 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2qb1 h ALA 20 N 0.03 2.43 0.00 0.55 0.00 -2.01 -0.87 119.26 119.40 2qb1 h ALA 20 Ca -0.49 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.48 2qb1 h ALA 20 Cb 1.33 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.20 2qb1 h ALA 20 CO 0.50 -0.88 0.00 1.12 0.00 0.00 0.00 179.25 179.99 2qb1 h HIS 21 N 0.29 0.00 -0.31 0.00 2.07 -2.04 -3.03 115.15 112.13 2qb1 h HIS 21 Ca 0.64 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 58.16 2qb1 h HIS 21 Cb 1.82 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.80 2qb1 h HIS 21 CO -0.00 0.00 0.00 1.28 -3.07 0.00 0.00 177.93 176.14 2qb1 n LEU 22 N -2.89 3.13 -0.41 6.12 4.77 -0.33 -4.80 117.00 122.59 2qb1 n LEU 22 Ca 0.01 -2.27 0.00 0.00 -0.03 0.00 0.00 56.01 53.72 2qb1 n LEU 22 Cb 0.29 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 2qb1 n LEU 22 CO 0.26 0.71 0.10 0.54 -1.33 0.00 0.00 177.39 177.66 2qb1 n ARG 23 N 0.19 0.32 -4.14 3.23 1.74 -1.15 -4.74 116.66 112.11 2qb1 n ARG 23 Ca 0.14 0.00 -0.23 0.00 -0.77 0.00 0.00 57.85 56.98 2qb1 n ARG 23 Cb 0.54 -1.13 -0.05 0.00 -1.02 0.00 0.00 32.46 30.80 2qb1 n ARG 23 CO 0.00 0.00 0.00 -0.48 -1.52 0.00 0.00 177.63 175.63 2qb1 s LEU 24 N -0.19 3.69 0.20 0.55 2.34 -1.26 -5.07 118.68 118.94 2qb1 s LEU 24 Ca 0.00 -0.29 -0.33 0.00 0.06 0.00 0.00 54.13 53.58 2qb1 s LEU 24 Cb 0.00 -2.25 -0.14 0.00 -0.56 0.00 0.00 46.19 43.24 2qb1 s LEU 24 CO 0.00 0.00 1.40 0.00 -1.06 0.00 0.00 176.35 176.69 2qb1 n GLN 25 N -0.86 1.83 -0.12 1.48 6.02 -1.26 -4.83 117.38 119.64 2qb1 n GLN 25 Ca -0.08 0.65 0.26 0.00 -0.01 0.00 0.00 57.00 57.82 2qb1 n GLN 25 Cb 0.57 -2.31 0.71 0.00 1.02 0.00 0.00 30.24 30.24 2qb1 n GLN 25 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 177.06 174.70 2qb1 h PRO 26 N 4.50 0.00 -0.20 -1.09 0.11 -1.95 0.28 132.00 133.66 2qb1 h PRO 26 Ca -0.45 0.00 0.06 0.00 0.11 0.00 0.00 66.00 65.72 2qb1 h PRO 26 Cb 1.29 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.39 2qb1 h PRO 26 CO 0.78 0.00 0.27 0.97 -0.21 0.00 0.00 178.00 179.81 2qb1 h ILE 27 N 0.00 0.33 -0.12 4.15 2.10 -1.88 0.56 117.51 122.65 2qb1 h ILE 27 Ca 0.37 0.00 0.00 0.00 1.08 0.00 0.00 64.86 66.31 2qb1 h ILE 27 Cb 1.49 0.77 0.00 0.00 -1.09 0.00 0.00 36.82 37.99 2qb1 h ILE 27 CO -0.00 0.00 0.00 -1.22 -1.08 0.00 0.00 178.15 175.85 2qb1 n TYR 28 N -3.57 0.13 -2.24 2.19 4.02 1.00 -3.54 117.16 115.15 2qb1 n TYR 28 Ca 0.02 -0.06 -0.41 0.00 -0.01 0.00 0.00 57.90 57.44 2qb1 n TYR 28 Cb 0.39 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.68 2qb1 n TYR 28 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 176.86 174.27 2qb1 s TRP 29 N -1.87 3.26 0.55 -0.72 0.51 0.19 -4.92 118.94 115.95 2qb1 s TRP 29 Ca 0.33 1.37 -0.02 0.00 -2.12 0.00 0.00 56.10 55.66 2qb1 s TRP 29 Cb 0.21 -3.56 0.02 0.00 -0.81 0.00 0.00 33.47 29.33 2qb1 s TRP 29 CO 0.31 -1.60 0.81 -1.54 -0.51 0.00 0.00 176.95 174.42 2qb1 s SER 30 N -0.12 5.48 0.39 2.95 1.04 -1.26 -0.46 113.70 121.72 2qb1 s SER 30 Ca 0.52 0.36 0.24 0.00 0.48 0.00 0.00 55.95 57.55 2qb1 s SER 30 Cb -0.36 -1.36 1.34 0.00 0.10 0.00 0.00 66.02 65.73 2qb1 s SER 30 CO 0.43 -1.04 1.61 -0.09 0.98 0.00 0.00 173.24 175.13 2qb1 h ARG 31 N 0.01 0.09 0.00 4.02 2.43 -1.91 0.13 114.38 119.15 2qb1 h ARG 31 Ca -0.45 -0.01 -0.16 0.00 -0.81 0.00 0.00 59.98 58.56 2qb1 h ARG 31 Cb 1.27 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.78 2qb1 h ARG 31 CO 0.57 0.06 -0.77 0.22 -1.51 0.00 0.00 179.97 178.55 2qb1 h ASP 32 N 0.10 0.00 -0.42 -3.80 3.58 -1.92 -2.79 116.42 111.17 2qb1 h ASP 32 Ca 0.82 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 58.24 2qb1 h ASP 32 Cb 2.29 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 43.33 2qb1 h ASP 32 CO -0.59 0.73 0.16 0.44 -2.88 0.00 0.00 179.24 177.09 2qb1 h ASP 33 N 0.00 0.59 -0.30 2.28 3.32 -1.12 -1.74 116.42 119.44 2qb1 h ASP 33 Ca -0.02 -0.18 0.07 0.00 0.02 0.00 0.00 57.03 56.92 2qb1 h ASP 33 Cb 1.57 -0.15 -0.07 0.00 0.22 0.00 0.00 39.33 40.90 2qb1 h ASP 33 CO 0.09 0.61 -0.18 0.58 -1.72 0.00 0.00 179.24 178.62 2qb1 h VAL 34 N 0.53 0.49 -0.80 -1.35 2.07 -1.36 0.28 116.25 116.11 2qb1 h VAL 34 Ca 0.14 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.69 2qb1 h VAL 34 Cb 0.21 0.49 -0.04 0.00 -1.52 0.00 0.00 31.29 30.43 2qb1 h VAL 34 CO -0.01 0.00 0.53 0.00 0.02 0.00 0.00 177.57 178.11 2qb1 h ALA 35 N 1.05 1.50 0.00 1.67 0.00 -1.43 -1.52 119.26 120.53 2qb1 h ALA 35 Ca 0.16 -0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.90 2qb1 h ALA 35 Cb 0.38 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 2qb1 h ALA 35 CO -0.39 0.42 -0.60 1.96 0.00 0.00 0.00 179.25 180.65 2qb1 h GLN 36 N 1.00 0.00 -0.02 0.00 1.08 -0.27 -1.61 115.11 115.29 2qb1 h GLN 36 Ca 0.31 0.00 -0.20 0.00 -1.45 0.00 0.00 58.65 57.32 2qb1 h GLN 36 Cb 0.01 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.44 2qb1 h GLN 36 CO -0.09 0.60 -0.83 2.35 -0.95 0.00 0.00 178.83 179.90 2qb1 h TRP 37 N 0.00 0.44 -0.29 2.96 7.01 -0.14 -2.32 115.95 123.61 2qb1 h TRP 37 Ca -0.01 -0.22 -0.16 0.00 2.11 0.00 0.00 58.89 60.61 2qb1 h TRP 37 Cb 1.12 -0.06 -0.00 0.00 -2.10 0.00 0.00 29.16 28.12 2qb1 h TRP 37 CO 0.00 1.01 -0.43 -0.07 -2.79 0.00 0.00 178.44 176.16 2qb1 h LEU 38 N 0.19 0.89 -1.13 0.65 3.38 -1.14 -0.37 115.31 117.78 2qb1 h LEU 38 Ca -0.05 -0.51 -0.02 0.00 0.09 0.00 0.00 57.88 57.39 2qb1 h LEU 38 Cb 1.44 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.91 2qb1 h LEU 38 CO 0.14 1.22 0.36 0.50 0.09 0.00 0.00 178.44 180.75 2qb1 h LYS 39 N 0.57 0.97 0.04 1.13 3.64 -1.32 -2.50 116.57 119.09 2qb1 h LYS 39 Ca 0.03 -0.11 -0.00 0.00 -1.27 0.00 0.00 60.65 59.29 2qb1 h LYS 39 Cb 1.03 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.66 2qb1 h LYS 39 CO 0.10 0.73 -0.02 2.35 -2.27 0.00 0.00 179.45 180.34 2qb1 h TRP 40 N 0.97 -0.05 -0.96 1.91 7.01 -1.28 -3.15 115.95 120.41 2qb1 h TRP 40 Ca 0.24 -0.00 0.16 0.00 2.11 0.00 0.00 58.89 61.41 2qb1 h TRP 40 Cb 0.06 0.02 -0.08 0.00 -2.10 0.00 0.00 29.16 27.05 2qb1 h TRP 40 CO 0.01 0.57 0.60 0.00 -2.79 0.00 0.00 178.44 176.84 2qb1 h ALA 41 N 0.15 1.77 -0.56 2.65 0.00 -1.08 0.33 119.26 122.53 2qb1 h ALA 41 Ca -0.01 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 2qb1 h ALA 41 Cb 0.64 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 2qb1 h ALA 41 CO 0.01 -0.06 0.15 1.49 0.00 0.00 0.00 179.25 180.83 2qb1 h GLU 42 N 0.74 0.89 0.01 0.00 4.81 -1.48 0.37 114.58 119.91 2qb1 h GLU 42 Ca 0.51 -0.21 -0.02 0.00 -0.13 0.00 0.00 59.36 59.50 2qb1 h GLU 42 Cb 0.80 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.06 2qb1 h GLU 42 CO -0.27 0.82 -0.10 -0.91 -0.73 0.00 0.00 179.01 177.82 2qb1 h ASN 43 N 0.79 0.08 -0.70 1.04 2.35 -1.38 -1.68 115.58 116.08 2qb1 h ASN 43 Ca 0.18 -0.87 0.06 0.00 -0.55 0.00 0.00 56.30 55.12 2qb1 h ASN 43 Cb 0.33 -0.02 -0.06 0.00 0.05 0.00 0.00 38.32 38.62 2qb1 h ASN 43 CO -0.00 0.94 0.39 -0.08 -1.65 0.00 0.00 177.43 177.03 2qb1 h GLU 44 N -0.78 0.70 -0.02 0.81 4.57 -0.34 -3.23 114.58 116.29 2qb1 h GLU 44 Ca -0.02 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.12 2qb1 h GLU 44 Cb 0.96 -0.16 0.00 0.00 -0.16 0.00 0.00 28.75 29.39 2qb1 h GLU 44 CO 0.02 0.46 -0.08 1.19 -1.18 0.00 0.00 179.01 179.42 2qb1 n PHE 45 N -4.77 0.00 -3.35 0.92 3.01 0.13 -4.99 117.46 108.42 2qb1 n PHE 45 Ca 0.09 0.00 -0.18 0.00 1.01 0.00 0.00 57.45 58.37 2qb1 n PHE 45 Cb 0.18 0.00 0.07 0.00 -0.01 0.00 0.00 39.48 39.72 2qb1 n PHE 45 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 2qb1 n SER 46 N 0.82 -4.83 -4.68 4.37 7.64 -0.73 -5.02 113.62 111.19 2qb1 n SER 46 Ca 0.10 -0.45 -0.28 0.00 1.01 0.00 0.00 58.87 59.25 2qb1 n SER 46 Cb 0.45 -4.21 0.11 0.00 -1.01 0.00 0.00 64.21 59.56 2qb1 n SER 46 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2qb1 s LEU 47 N -6.01 2.64 0.80 -3.43 1.43 -0.71 -5.04 118.68 108.35 2qb1 s LEU 47 Ca 0.38 0.53 -0.12 0.00 -1.03 0.00 0.00 54.13 53.89 2qb1 s LEU 47 Cb -0.17 -2.92 0.08 0.00 0.03 0.00 0.00 46.19 43.21 2qb1 s LEU 47 CO 0.59 -2.08 1.14 -0.13 0.23 0.00 0.00 176.35 176.11 2qb1 s ARG 48 N -5.59 1.85 0.26 1.70 1.81 -1.26 -4.91 118.95 112.81 2qb1 s ARG 48 Ca 0.65 1.48 -0.31 0.00 -1.72 0.00 0.00 55.73 55.84 2qb1 s ARG 48 Cb -0.09 -1.83 -0.11 0.00 -0.45 0.00 0.00 34.95 32.47 2qb1 s ARG 48 CO 0.49 -2.00 1.63 -2.14 -0.68 0.00 0.00 175.30 172.60 2qb1 s PRO 49 N -4.46 4.13 -0.17 3.54 0.02 -1.26 -4.96 135.00 131.85 2qb1 s PRO 49 Ca 0.67 2.57 -0.00 0.00 0.02 0.00 0.00 61.00 64.26 2qb1 s PRO 49 Cb -0.23 -3.05 0.04 0.00 0.02 0.00 0.00 34.50 31.29 2qb1 s PRO 49 CO 0.52 -0.66 -0.06 0.42 -0.33 0.00 0.00 177.00 176.89 2qb1 s ILE 50 N 0.41 1.20 0.10 2.83 1.01 -1.26 -5.07 121.20 120.42 2qb1 s ILE 50 Ca 0.67 -0.67 -0.36 0.00 0.00 0.00 0.00 60.65 60.30 2qb1 s ILE 50 Cb -0.48 -1.34 -0.17 0.00 0.01 0.00 0.00 42.46 40.48 2qb1 s ILE 50 CO 0.42 0.16 1.30 -0.67 0.00 0.00 0.00 174.94 176.15 2qb1 n ASP 51 N 4.85 1.57 -0.29 3.58 -0.08 -1.26 -4.88 116.55 120.03 2qb1 n ASP 51 Ca -0.12 1.12 -0.03 0.00 -1.51 0.00 0.00 54.79 54.25 2qb1 n ASP 51 Cb 0.48 -1.19 0.12 0.00 2.34 0.00 0.00 41.12 42.87 2qb1 n ASP 51 CO 0.00 0.00 0.00 0.77 0.12 0.00 0.00 177.20 178.09 2qb1 h SER 52 N 4.28 1.05 0.00 1.67 4.64 -1.99 -2.67 113.55 120.54 2qb1 h SER 52 Ca -0.47 -0.10 0.00 0.00 -0.47 0.00 0.00 61.79 60.75 2qb1 h SER 52 Cb 1.34 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 2qb1 h SER 52 CO 0.76 0.85 0.00 0.59 -0.87 0.00 0.00 176.83 178.16 2qb1 n ASN 53 N -4.33 3.08 -0.03 4.97 3.02 -1.26 -3.95 115.26 116.76 2qb1 n ASN 53 Ca 0.09 -1.77 -0.15 0.00 -0.03 0.00 0.00 54.58 52.72 2qb1 n ASN 53 Cb 0.11 -0.59 -0.14 0.00 -0.61 0.00 0.00 39.78 38.55 2qb1 n ASN 53 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 2qb1 n THR 54 N 1.04 1.64 -3.48 3.41 -1.04 -1.01 -4.47 114.28 110.38 2qb1 n THR 54 Ca 0.00 -0.73 -0.28 0.00 -2.04 0.00 0.00 64.05 61.00 2qb1 n THR 54 Cb 0.38 -1.27 -0.08 0.00 -1.82 0.00 0.00 70.33 67.54 2qb1 n THR 54 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 2qb1 n PHE 55 N -3.20 3.57 -1.75 -1.42 3.01 -1.25 -4.99 117.46 111.43 2qb1 n PHE 55 Ca -0.27 -4.13 -0.38 0.00 1.01 0.00 0.00 57.45 53.68 2qb1 n PHE 55 Cb 1.06 -0.60 -0.04 0.00 -0.01 0.00 0.00 39.48 39.88 2qb1 n PHE 55 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 2qb1 n GLU 56 N 1.04 1.97 -3.78 -1.08 1.02 -1.26 -4.77 120.64 113.78 2qb1 n GLU 56 Ca 0.28 -2.37 -0.04 0.00 -0.02 0.00 0.00 57.16 55.01 2qb1 n GLU 56 Cb 0.40 -3.33 -0.01 0.00 -0.02 0.00 0.00 31.44 28.48 2qb1 n GLU 56 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2qb1 s MET 57 N 5.14 1.32 0.59 3.49 0.23 -1.26 -5.11 119.30 123.70 2qb1 s MET 57 Ca 0.59 -0.75 0.09 0.00 -1.03 0.00 0.00 55.69 54.59 2qb1 s MET 57 Cb 0.08 0.44 0.09 0.00 -1.53 0.00 0.00 34.83 33.91 2qb1 s MET 57 CO 0.09 -0.61 0.82 0.54 -2.03 0.00 0.00 175.02 173.83 2qb1 s ASN 58 N -3.00 5.02 0.26 -1.18 2.20 -1.26 -3.85 114.94 113.13 2qb1 s ASN 58 Ca 0.13 -0.85 -0.04 0.00 -0.94 0.00 0.00 52.86 51.17 2qb1 s ASN 58 Cb -0.02 0.35 0.36 0.00 -2.00 0.00 0.00 41.25 39.93 2qb1 s ASN 58 CO 0.04 -1.41 1.89 1.23 -2.94 0.00 0.00 177.10 175.91 2qb1 h GLY 59 N 0.11 1.47 0.37 0.45 0.00 -0.91 0.15 103.07 104.71 2qb1 h GLY 59 Ca -0.29 -0.48 0.09 0.00 0.00 0.00 0.00 47.33 46.65 2qb1 h GLY 59 CO 0.40 0.38 0.18 0.50 0.00 0.00 0.00 176.54 178.00 2qb1 h LYS 60 N 1.20 0.34 -0.02 4.80 1.57 -1.69 -0.87 116.57 121.90 2qb1 h LYS 60 Ca 0.41 -0.02 -0.25 0.00 -1.87 0.00 0.00 60.65 58.92 2qb1 h LYS 60 Cb 0.08 -0.08 0.02 0.00 0.08 0.00 0.00 32.23 32.33 2qb1 h LYS 60 CO -0.15 0.22 -0.99 0.00 -0.57 0.00 0.00 179.45 177.97 2qb1 h ALA 61 N 1.41 0.21 -0.93 3.86 0.00 -1.69 -3.04 119.26 119.08 2qb1 h ALA 61 Ca 0.29 -0.69 0.22 0.00 0.00 0.00 0.00 54.91 54.73 2qb1 h ALA 61 Cb 0.37 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.12 2qb1 h ALA 61 CO -0.31 0.72 0.62 1.25 0.00 0.00 0.00 179.25 181.52 2qb1 h LEU 62 N 0.38 0.37 -0.39 0.00 5.85 -0.28 -0.01 115.31 121.23 2qb1 h LEU 62 Ca -0.11 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.66 2qb1 h LEU 62 Cb 1.63 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.64 2qb1 h LEU 62 CO 0.19 0.13 0.00 0.18 -0.34 0.00 0.00 178.44 178.60 2qb1 n LEU 63 N -4.50 0.53 0.05 2.25 4.77 -0.37 -3.22 117.00 116.50 2qb1 n LEU 63 Ca 0.20 0.61 -0.01 0.00 -0.03 0.00 0.00 56.01 56.78 2qb1 n LEU 63 Cb 0.76 -0.51 -0.07 0.00 -2.33 0.00 0.00 43.42 41.28 2qb1 n LEU 63 CO 0.31 -0.39 -0.12 -0.07 -1.33 0.00 0.00 177.39 175.79 2qb1 h LEU 64 N 0.00 0.00-10.02 2.23 3.38 -1.07 -3.47 115.31 106.35 2qb1 h LEU 64 Ca 0.00 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.44 2qb1 h LEU 64 Cb 0.43 0.00 0.11 0.00 0.09 0.00 0.00 40.66 41.29 2qb1 h LEU 64 CO 0.00 0.63 0.58 -0.76 0.09 0.00 0.00 178.44 178.99 2qb1 s LEU 65 N -6.03 3.95 0.66 1.67 1.43 -1.20 -5.03 118.68 114.13 2qb1 s LEU 65 Ca -0.01 2.64 -0.01 0.00 -1.03 0.00 0.00 54.13 55.72 2qb1 s LEU 65 Cb 0.08 -4.21 0.09 0.00 0.03 0.00 0.00 46.19 42.19 2qb1 s LEU 65 CO 0.80 -1.30 0.92 0.42 0.23 0.00 0.00 176.35 177.43 2qb1 s THR 66 N -1.36 2.32 0.16 5.49 -4.23 -1.26 -4.94 115.64 111.82 2qb1 s THR 66 Ca 0.67 -0.59 -0.15 0.00 -1.18 0.00 0.00 61.69 60.44 2qb1 s THR 66 Cb -0.37 -2.74 0.03 0.00 1.34 0.00 0.00 72.50 70.76 2qb1 s THR 66 CO 0.45 0.00 1.81 0.50 -0.54 0.00 0.00 174.62 176.84 2qb1 h LYS 67 N -0.34 0.60 -0.99 3.99 3.64 -1.98 -1.91 116.57 119.59 2qb1 h LYS 67 Ca -0.39 -0.05 0.15 0.00 -1.27 0.00 0.00 60.65 59.10 2qb1 h LYS 67 Cb 1.28 -0.13 -0.09 0.00 -0.41 0.00 0.00 32.23 32.87 2qb1 h LYS 67 CO 0.46 0.42 0.61 1.49 -2.27 0.00 0.00 179.45 180.16 2qb1 h GLU 68 N 0.61 0.85 -0.01 1.90 4.81 -1.98 -1.05 114.58 119.71 2qb1 h GLU 68 Ca 0.16 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.34 2qb1 h GLU 68 Cb -0.04 -0.19 -0.00 0.00 0.63 0.00 0.00 28.75 29.15 2qb1 h GLU 68 CO -0.03 0.56 -0.00 -0.44 -0.73 0.00 0.00 179.01 178.37 2qb1 h ASP 69 N 0.87 0.01 -0.74 1.04 3.32 -1.79 -0.93 116.42 118.21 2qb1 h ASP 69 Ca 0.53 -0.31 0.13 0.00 0.02 0.00 0.00 57.03 57.40 2qb1 h ASP 69 Cb 0.67 -0.00 -0.09 0.00 0.22 0.00 0.00 39.33 40.13 2qb1 h ASP 69 CO -0.32 0.32 0.30 -0.26 -1.72 0.00 0.00 179.24 177.56 2qb1 h PHE 70 N -0.30 0.52 0.00 4.55 -1.00 -1.01 0.82 116.94 120.52 2qb1 h PHE 70 Ca 0.00 0.04 -0.02 0.00 2.81 0.00 0.00 57.97 60.80 2qb1 h PHE 70 Cb 0.32 -0.12 -0.00 0.00 3.61 0.00 0.00 35.95 39.76 2qb1 h PHE 70 CO 0.03 0.08 -0.07 0.00 -1.61 0.00 0.00 178.31 176.74 2qb1 h ARG 71 N 0.46 0.00 -0.00 1.51 3.08 -1.00 -0.52 114.38 117.90 2qb1 h ARG 71 Ca 0.40 0.00 -0.20 0.00 0.07 0.00 0.00 59.98 60.25 2qb1 h ARG 71 Cb 0.59 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.66 2qb1 h ARG 71 CO -0.38 0.07 -0.78 -0.92 -1.07 0.00 0.00 179.97 176.89 2qb1 h TYR 72 N 0.00 0.79 -0.02 3.04 3.20 0.56 -3.17 116.97 121.37 2qb1 h TYR 72 Ca -0.00 -0.43 -0.21 0.00 3.14 0.00 0.00 58.73 61.24 2qb1 h TYR 72 Cb 0.31 -0.09 -0.00 0.00 1.54 0.00 0.00 36.73 38.49 2qb1 h TYR 72 CO 0.00 1.25 -0.86 0.00 -1.64 0.00 0.00 178.16 176.91 2qb1 h ARG 73 N 0.10 0.37 -3.20 1.82 3.08 -1.13 -3.41 114.38 112.00 2qb1 h ARG 73 Ca -0.10 -0.37 -0.50 0.00 0.07 0.00 0.00 59.98 59.09 2qb1 h ARG 73 Cb 1.46 0.10 -0.40 0.00 0.08 0.00 0.00 29.97 31.21 2qb1 h ARG 73 CO 0.15 1.04 -0.76 -1.12 -1.07 0.00 0.00 179.97 178.21 2qb1 s SER 74 N -7.02 2.86 0.33 7.04 0.01 -0.22 -5.02 113.70 111.68 2qb1 s SER 74 Ca -0.05 -0.87 0.01 0.00 1.31 0.00 0.00 55.95 56.35 2qb1 s SER 74 Cb 0.10 -0.42 0.57 0.00 0.21 0.00 0.00 66.02 66.48 2qb1 s SER 74 CO 0.85 -0.36 1.99 -0.65 0.41 0.00 0.00 173.24 175.49 2qb1 h PRO 75 N 8.34 0.90 0.00 12.44 0.11 -1.80 -1.16 132.00 150.83 2qb1 h PRO 75 Ca -0.16 -0.06 -0.27 0.00 0.11 0.00 0.00 66.00 65.62 2qb1 h PRO 75 Cb 1.11 -0.20 -0.04 0.00 0.11 0.00 0.00 31.00 31.97 2qb1 h PRO 75 CO 0.34 0.61 -1.53 0.72 -0.21 0.00 0.00 178.00 177.93 2qb1 n HIS 76 N -4.42 0.74 0.10 0.65 8.25 -1.26 -4.51 115.22 114.77 2qb1 n HIS 76 Ca 0.07 0.32 -0.19 0.00 -0.26 0.00 0.00 57.72 57.66 2qb1 n HIS 76 Cb 0.04 -1.04 -0.15 0.00 1.12 0.00 0.00 29.99 29.96 2qb1 n HIS 76 CO 0.00 0.00 0.00 0.77 0.64 0.00 0.00 176.34 177.75 2qb1 h SER 77 N -1.00 0.56 0.00 0.41 0.02 -1.94 -3.43 113.55 108.17 2qb1 h SER 77 Ca -0.41 -0.66 0.00 0.00 -0.84 0.00 0.00 61.79 59.88 2qb1 h SER 77 Cb 1.33 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 63.69 2qb1 h SER 77 CO -0.25 1.53 0.00 0.61 -1.14 0.00 0.00 176.83 177.58 2qb1 n GLY 78 N 1.65 0.00 0.25 -3.77 0.00 -0.44 -0.07 105.19 102.81 2qb1 n GLY 78 Ca -0.14 0.00 0.11 0.00 0.00 0.00 0.00 46.02 45.99 2qb1 n GLY 78 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2qb1 h ASP 79 N 0.00 0.00 -0.23 1.61 3.04 -1.83 -2.43 116.42 116.58 2qb1 h ASP 79 Ca 0.00 0.00 -0.16 0.00 -3.24 0.00 0.00 57.03 53.63 2qb1 h ASP 79 Cb 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.29 2qb1 h ASP 79 CO 0.00 0.15 -0.49 0.58 -2.04 0.00 0.00 179.24 177.45 2qb1 h VAL 80 N 0.00 1.30 -0.29 4.15 2.07 -0.79 -1.43 116.25 121.26 2qb1 h VAL 80 Ca -0.00 -1.70 -0.05 0.00 0.82 0.00 0.00 66.70 65.78 2qb1 h VAL 80 Cb 0.43 1.77 -0.02 0.00 -1.52 0.00 0.00 31.29 31.96 2qb1 h VAL 80 CO 0.02 0.54 -0.03 -0.07 0.02 0.00 0.00 177.57 178.05 2qb1 h LEU 81 N 0.48 0.42 0.11 2.57 3.38 -1.10 -1.19 115.31 119.96 2qb1 h LEU 81 Ca 0.01 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 2qb1 h LEU 81 Cb 1.10 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.74 2qb1 h LEU 81 CO 0.11 0.50 -0.05 0.22 0.09 0.00 0.00 178.44 179.31 2qb1 h TYR 82 N 0.43 -0.13 -0.37 1.13 3.20 -1.25 -2.29 116.97 117.68 2qb1 h TYR 82 Ca 0.09 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.92 2qb1 h TYR 82 Cb 0.33 0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.62 2qb1 h TYR 82 CO 0.01 0.20 0.05 0.93 -1.64 0.00 0.00 178.16 177.71 2qb1 h GLU 83 N -0.49 0.56 -0.40 1.82 4.39 -1.17 -0.57 114.58 118.73 2qb1 h GLU 83 Ca -0.01 -0.11 0.00 0.00 0.34 0.00 0.00 59.36 59.58 2qb1 h GLU 83 Cb 0.40 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.94 2qb1 h GLU 83 CO 0.02 0.55 0.26 1.25 -1.16 0.00 0.00 179.01 179.94 2qb1 h LEU 84 N 0.55 0.47 -0.21 1.33 5.85 -1.21 0.95 115.31 123.03 2qb1 h LEU 84 Ca 0.12 -0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.81 2qb1 h LEU 84 Cb 0.28 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 2qb1 h LEU 84 CO 0.00 0.36 0.11 0.25 -0.34 0.00 0.00 178.44 178.83 2qb1 h LEU 85 N 0.54 0.27 -0.62 2.25 5.85 -0.80 -0.36 115.31 122.43 2qb1 h LEU 85 Ca 0.15 -0.10 0.07 0.00 0.84 0.00 0.00 57.88 58.84 2qb1 h LEU 85 Cb -0.04 -0.07 -0.06 0.00 0.37 0.00 0.00 40.66 40.87 2qb1 h LEU 85 CO -0.03 0.29 0.31 1.56 -0.34 0.00 0.00 178.44 180.24 2qb1 h GLN 86 N 0.23 0.56 -0.53 1.25 1.08 -0.89 0.05 115.11 116.85 2qb1 h GLN 86 Ca 0.07 -0.03 -0.03 0.00 -1.45 0.00 0.00 58.65 57.21 2qb1 h GLN 86 Cb 0.09 -0.13 -0.03 0.00 -0.05 0.00 0.00 27.48 27.36 2qb1 h GLN 86 CO -0.01 0.37 0.20 1.25 -0.95 0.00 0.00 178.83 179.69 2qb1 h HIS 87 N 0.58 0.78 -0.15 2.96 2.76 -0.51 -1.69 115.15 119.88 2qb1 h HIS 87 Ca 0.29 -0.04 -0.04 0.00 -2.20 0.00 0.00 60.37 58.38 2qb1 h HIS 87 Cb 0.24 -0.24 -0.00 0.00 1.55 0.00 0.00 27.41 28.95 2qb1 h HIS 87 CO -0.10 0.61 -0.08 0.82 -1.30 0.00 0.00 177.93 177.88 2qb1 h ILE 88 N 0.76 1.32 -0.83 6.26 2.04 -0.18 -3.09 117.51 123.79 2qb1 h ILE 88 Ca 0.18 -1.12 0.11 0.00 1.00 0.00 0.00 64.86 65.03 2qb1 h ILE 88 Cb 0.17 1.75 -0.06 0.00 -0.74 0.00 0.00 36.82 37.93 2qb1 h ILE 88 CO -0.02 0.33 0.54 -0.07 0.00 0.00 0.00 178.15 178.93 2qb1 h LEU 89 N -0.03 0.66 0.00 1.44 3.38 -0.63 -1.36 115.31 118.76 2qb1 h LEU 89 Ca 0.03 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.03 2qb1 h LEU 89 Cb 0.55 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.19 2qb1 h LEU 89 CO 0.02 0.37 0.00 0.00 0.09 0.00 0.00 178.44 178.93 2qb1 n ALA 90 N -2.44 2.33 -1.00 1.53 0.00 -0.67 -4.62 120.51 115.64 2qb1 n ALA 90 Ca 0.15 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.45 2qb1 n ALA 90 Cb 0.37 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.46 2qb1 n ALA 90 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2qb1 n GLN 91 N -1.01 0.00 -0.27 0.00 6.02 -0.51 -5.09 117.38 116.51 2qb1 n GLN 91 Ca 0.17 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.16 2qb1 n GLN 91 Cb 0.08 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.34 2qb1 n GLN 91 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05