#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 3.81 -0.18 2.46 1.01 -1.26 -5.06 121.20 121.98 2qb1 s ILE 16 Ca 0.00 -2.49 -0.03 0.00 0.00 0.00 0.00 60.65 58.13 2qb1 s ILE 16 Cb 0.00 -3.51 -0.02 0.00 0.01 0.00 0.00 42.46 38.94 2qb1 s ILE 16 CO 0.00 -0.82 -0.05 0.00 0.00 0.00 0.00 174.94 174.06 2qb1 s ALA 17 N 0.51 2.85 0.41 9.38 0.00 -1.26 -5.06 121.76 128.59 2qb1 s ALA 17 Ca 0.13 -0.99 -0.27 0.00 0.00 0.00 0.00 51.96 50.83 2qb1 s ALA 17 Cb -0.21 -1.57 -0.10 0.00 0.00 0.00 0.00 23.12 21.24 2qb1 s ALA 17 CO -0.04 -0.07 1.47 1.28 0.00 0.00 0.00 175.76 178.40 2qb1 n LEU 18 N 4.10 4.95 -4.66 0.00 4.77 -1.26 -4.97 117.00 119.93 2qb1 n LEU 18 Ca -0.18 1.18 -0.36 0.00 -0.03 0.00 0.00 56.01 56.63 2qb1 n LEU 18 Cb 0.52 -1.62 0.09 0.00 -2.33 0.00 0.00 43.42 40.08 2qb1 n LEU 18 CO 0.31 0.02 0.68 -0.81 -1.33 0.00 0.00 177.39 176.26 2qb1 n PRO 19 N 0.15 0.60 -0.34 3.23 -0.04 -1.26 -4.78 135.00 132.55 2qb1 n PRO 19 Ca 0.03 0.26 0.24 0.00 -0.04 0.00 0.00 63.50 64.00 2qb1 n PRO 19 Cb 0.40 -2.35 0.51 0.00 -0.04 0.00 0.00 33.50 32.03 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 -0.18 2.24 0.00 0.55 0.00 -2.01 -1.24 119.26 118.62 2qb1 h ALA 20 Ca -0.48 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.51 2qb1 h ALA 20 Cb 1.33 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.18 2qb1 h ALA 20 CO 0.48 -0.69 0.00 1.12 0.00 0.00 0.00 179.25 180.16 2qb1 h HIS 21 N 0.37 0.00 -0.33 0.00 2.07 -2.04 -2.99 115.15 112.24 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 1.63 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.61 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 -2.95 3.21 -0.41 6.12 4.77 -0.47 -4.80 117.00 122.47 2qb1 n LEU 22 Ca 0.01 -2.28 0.00 0.00 -0.03 0.00 0.00 56.01 53.70 2qb1 n LEU 22 Cb 0.27 -0.32 0.00 0.00 -2.33 0.00 0.00 43.42 41.04 2qb1 n LEU 22 CO 0.25 0.72 0.10 0.54 -1.33 0.00 0.00 177.39 177.67 2qb1 n ARG 23 N 0.24 0.36 -4.13 3.23 1.74 -1.13 -4.75 116.66 112.22 2qb1 n ARG 23 Ca 0.14 0.00 -0.23 0.00 -0.77 0.00 0.00 57.85 56.99 2qb1 n ARG 23 Cb 0.56 -1.15 -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 -0.17 3.71 0.17 0.55 2.34 -1.26 -5.06 118.68 118.96 2qb1 s LEU 24 Ca 0.00 -0.27 -0.33 0.00 0.06 0.00 0.00 54.13 53.58 2qb1 s LEU 24 Cb 0.00 -2.27 -0.15 0.00 -0.56 0.00 0.00 46.19 43.21 2qb1 s LEU 24 CO 0.00 0.00 1.39 0.00 -1.06 0.00 0.00 176.35 176.68 2qb1 n GLN 25 N -0.88 1.70 -0.22 1.48 6.02 -1.26 -4.83 117.38 119.38 2qb1 n GLN 25 Ca -0.08 0.61 0.28 0.00 -0.01 0.00 0.00 57.00 57.80 2qb1 n GLN 25 Cb 0.57 -2.26 0.68 0.00 1.02 0.00 0.00 30.24 30.25 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 4.59 0.08 -0.28 -1.09 0.11 -1.94 0.25 132.00 133.72 2qb1 h PRO 26 Ca -0.45 -0.00 0.08 0.00 0.11 0.00 0.00 66.00 65.73 2qb1 h PRO 26 Cb 1.30 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.38 2qb1 h PRO 26 CO 0.79 0.05 0.32 0.97 -0.21 0.00 0.00 178.00 179.92 2qb1 h ILE 27 N 0.09 0.41 -0.08 4.15 2.10 -1.88 0.53 117.51 122.82 2qb1 h ILE 27 Ca 0.47 0.00 0.00 0.00 1.08 0.00 0.00 64.86 66.41 2qb1 h ILE 27 Cb 1.71 0.74 0.00 0.00 -1.09 0.00 0.00 36.82 38.18 2qb1 h ILE 27 CO -0.05 0.00 0.00 -1.22 -1.08 0.00 0.00 178.15 175.80 2qb1 n TYR 28 N -3.73 0.08 -2.26 2.19 4.02 0.88 -3.45 117.16 114.89 2qb1 n TYR 28 Ca 0.04 -0.04 -0.41 0.00 -0.01 0.00 0.00 57.90 57.48 2qb1 n TYR 28 Cb 0.46 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.75 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 -1.92 3.27 0.54 -0.72 0.51 0.18 -4.92 118.94 115.88 2qb1 s TRP 29 Ca 0.33 1.45 -0.02 0.00 -2.12 0.00 0.00 56.10 55.74 2qb1 s TRP 29 Cb 0.20 -3.53 0.02 0.00 -0.81 0.00 0.00 33.47 29.35 2qb1 s TRP 29 CO 0.31 -1.46 0.79 -1.54 -0.51 0.00 0.00 176.95 174.55 2qb1 s SER 30 N -0.35 5.51 0.41 2.95 1.04 -1.26 -0.84 113.70 121.16 2qb1 s SER 30 Ca 0.50 0.32 0.27 0.00 0.48 0.00 0.00 55.95 57.52 2qb1 s SER 30 Cb -0.36 -1.34 1.38 0.00 0.10 0.00 0.00 66.02 65.79 2qb1 s SER 30 CO 0.45 -1.01 1.62 -0.09 0.98 0.00 0.00 173.24 175.19 2qb1 h ARG 31 N 0.06 0.09 0.00 4.02 2.43 -1.91 0.21 114.38 119.28 2qb1 h ARG 31 Ca -0.45 -0.01 -0.14 0.00 -0.81 0.00 0.00 59.98 58.58 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 -0.79 0.22 -1.51 0.00 0.00 179.97 178.52 2qb1 h ASP 32 N 0.09 0.00 -0.44 -3.80 3.58 -1.92 -2.84 116.42 111.09 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 2.44 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 43.47 2qb1 h ASP 32 CO -0.51 0.62 0.16 0.44 -2.88 0.00 0.00 179.24 177.07 2qb1 h ASP 33 N 0.00 0.62 -0.14 2.28 3.32 -0.95 -1.78 116.42 119.78 2qb1 h ASP 33 Ca -0.04 -0.19 0.05 0.00 0.02 0.00 0.00 57.03 56.87 2qb1 h ASP 33 Cb 1.51 -0.16 -0.06 0.00 0.22 0.00 0.00 39.33 40.84 2qb1 h ASP 33 CO 0.07 0.64 -0.23 0.58 -1.72 0.00 0.00 179.24 178.58 2qb1 h VAL 34 N 0.57 0.43 -0.85 -1.35 2.07 -1.40 0.28 116.25 115.99 2qb1 h VAL 34 Ca 0.14 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.74 2qb1 h VAL 34 Cb 0.23 0.43 -0.06 0.00 -1.52 0.00 0.00 31.29 30.37 2qb1 h VAL 34 CO -0.01 0.00 0.56 0.00 0.02 0.00 0.00 177.57 178.14 2qb1 h ALA 35 N 0.67 1.61 0.00 1.67 0.00 -1.46 -1.24 119.26 120.51 2qb1 h ALA 35 Ca 0.10 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.87 2qb1 h ALA 35 Cb 0.45 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 2qb1 h ALA 35 CO -0.31 0.24 -0.59 1.96 0.00 0.00 0.00 179.25 180.55 2qb1 h GLN 36 N 0.90 0.00 -0.01 0.00 1.08 -0.26 -1.62 115.11 115.19 2qb1 h GLN 36 Ca 0.38 0.00 -0.21 0.00 -1.45 0.00 0.00 58.65 57.37 2qb1 h GLN 36 Cb 0.30 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.73 2qb1 h GLN 36 CO -0.15 0.59 -0.89 2.35 -0.95 0.00 0.00 178.83 179.78 2qb1 h TRP 37 N 0.00 0.53 -0.33 2.96 7.01 -0.04 -2.40 115.95 123.69 2qb1 h TRP 37 Ca -0.01 -0.28 -0.11 0.00 2.11 0.00 0.00 58.89 60.61 2qb1 h TRP 37 Cb 1.13 -0.06 -0.01 0.00 -2.10 0.00 0.00 29.16 28.12 2qb1 h TRP 37 CO 0.00 1.09 -0.22 -0.07 -2.79 0.00 0.00 178.44 176.45 2qb1 h LEU 38 N 0.21 0.76 -1.24 0.65 3.38 -1.10 -0.27 115.31 117.70 2qb1 h LEU 38 Ca -0.06 -0.43 -0.00 0.00 0.09 0.00 0.00 57.88 57.47 2qb1 h LEU 38 Cb 1.51 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 42.01 2qb1 h LEU 38 CO 0.15 1.02 0.43 0.50 0.09 0.00 0.00 178.44 180.64 2qb1 h LYS 39 N 0.49 0.95 0.05 1.13 3.64 -1.33 -2.46 116.57 119.04 2qb1 h LYS 39 Ca 0.07 -0.08 -0.00 0.00 -1.27 0.00 0.00 60.65 59.37 2qb1 h LYS 39 Cb 0.77 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.38 2qb1 h LYS 39 CO 0.06 0.66 -0.03 2.35 -2.27 0.00 0.00 179.45 180.22 2qb1 h TRP 40 N 0.97 -0.07 -0.99 1.91 7.01 -1.27 -3.15 115.95 120.36 2qb1 h TRP 40 Ca 0.26 -0.00 0.17 0.00 2.11 0.00 0.00 58.89 61.43 2qb1 h TRP 40 Cb -0.05 0.02 -0.10 0.00 -2.10 0.00 0.00 29.16 26.93 2qb1 h TRP 40 CO 0.00 0.54 0.60 0.00 -2.79 0.00 0.00 178.44 176.79 2qb1 h ALA 41 N 0.06 1.60 -0.56 2.65 0.00 -1.05 0.30 119.26 122.27 2qb1 h ALA 41 Ca -0.01 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 2qb1 h ALA 41 Cb 0.63 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 2qb1 h ALA 41 CO 0.01 -0.00 0.24 1.49 0.00 0.00 0.00 179.25 180.99 2qb1 h GLU 42 N 0.79 0.82 0.00 0.00 4.81 -1.49 0.46 114.58 119.97 2qb1 h GLU 42 Ca 0.55 -0.14 -0.02 0.00 -0.13 0.00 0.00 59.36 59.63 2qb1 h GLU 42 Cb 0.80 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.04 2qb1 h GLU 42 CO -0.36 0.69 -0.06 -0.91 -0.73 0.00 0.00 179.01 177.64 2qb1 h ASN 43 N 0.75 0.05 -0.88 1.04 2.35 -1.39 -1.37 115.58 116.14 2qb1 h ASN 43 Ca 0.19 -0.80 0.05 0.00 -0.55 0.00 0.00 56.30 55.18 2qb1 h ASN 43 Cb 0.16 -0.02 -0.06 0.00 0.05 0.00 0.00 38.32 38.46 2qb1 h ASN 43 CO -0.02 0.85 0.56 -0.08 -1.65 0.00 0.00 177.43 177.09 2qb1 h GLU 44 N -0.74 1.02 -0.02 0.81 4.57 -0.36 -3.22 114.58 116.65 2qb1 h GLU 44 Ca -0.01 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.11 2qb1 h GLU 44 Cb 0.86 -0.23 0.00 0.00 -0.16 0.00 0.00 28.75 29.22 2qb1 h GLU 44 CO 0.01 0.68 -0.21 1.19 -1.18 0.00 0.00 179.01 179.50 2qb1 n PHE 45 N -4.57 0.00 -3.24 0.92 3.01 0.16 -4.99 117.46 108.75 2qb1 n PHE 45 Ca 0.12 0.00 -0.16 0.00 1.01 0.00 0.00 57.45 58.41 2qb1 n PHE 45 Cb 0.13 0.00 0.06 0.00 -0.01 0.00 0.00 39.48 39.66 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 0.34 -4.47 -4.81 4.37 7.64 -0.61 -5.02 113.62 111.06 2qb1 n SER 46 Ca 0.08 -0.41 -0.28 0.00 1.01 0.00 0.00 58.87 59.28 2qb1 n SER 46 Cb 0.39 -3.83 0.09 0.00 -1.01 0.00 0.00 64.21 59.86 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 -5.51 2.67 0.82 -3.43 1.43 -0.62 -5.04 118.68 109.00 2qb1 s LEU 47 Ca 0.33 0.55 -0.12 0.00 -1.03 0.00 0.00 54.13 53.86 2qb1 s LEU 47 Cb -0.15 -3.04 0.09 0.00 0.03 0.00 0.00 46.19 43.13 2qb1 s LEU 47 CO 0.53 -1.89 1.15 -0.13 0.23 0.00 0.00 176.35 176.24 2qb1 s ARG 48 N -5.47 1.70 0.26 1.70 1.81 -1.26 -4.91 118.95 112.77 2qb1 s ARG 48 Ca 0.63 1.52 -0.31 0.00 -1.72 0.00 0.00 55.73 55.85 2qb1 s ARG 48 Cb -0.10 -1.81 -0.11 0.00 -0.45 0.00 0.00 34.95 32.48 2qb1 s ARG 48 CO 0.48 -2.12 1.60 -2.14 -0.68 0.00 0.00 175.30 172.44 2qb1 s PRO 49 N -4.47 4.15 -0.17 3.54 0.02 -1.26 -4.96 135.00 131.85 2qb1 s PRO 49 Ca 0.68 2.53 -0.00 0.00 0.02 0.00 0.00 61.00 64.22 2qb1 s PRO 49 Cb -0.23 -3.06 0.04 0.00 0.02 0.00 0.00 34.50 31.27 2qb1 s PRO 49 CO 0.53 -0.63 -0.07 0.42 -0.33 0.00 0.00 177.00 176.92 2qb1 s ILE 50 N 0.38 1.24 0.08 2.83 1.01 -1.26 -5.07 121.20 120.41 2qb1 s ILE 50 Ca 0.66 -0.68 -0.37 0.00 0.00 0.00 0.00 60.65 60.27 2qb1 s ILE 50 Cb -0.47 -1.37 -0.17 0.00 0.01 0.00 0.00 42.46 40.47 2qb1 s ILE 50 CO 0.42 0.18 1.37 -0.67 0.00 0.00 0.00 174.94 176.23 2qb1 n ASP 51 N 4.83 1.76 -0.33 3.58 -0.08 -1.26 -4.89 116.55 120.17 2qb1 n ASP 51 Ca -0.13 1.12 -0.04 0.00 -1.51 0.00 0.00 54.79 54.23 2qb1 n ASP 51 Cb 0.48 -1.20 0.09 0.00 2.34 0.00 0.00 41.12 42.82 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 4.71 1.05 0.00 1.67 4.64 -1.99 -2.67 113.55 120.95 2qb1 h SER 52 Ca -0.48 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 60.79 2qb1 h SER 52 Cb 1.33 -0.26 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 2qb1 h SER 52 CO 0.79 0.80 0.00 0.59 -0.87 0.00 0.00 176.83 178.13 2qb1 n ASN 53 N -4.42 2.99 -0.05 4.97 3.02 -1.26 -3.92 115.26 116.59 2qb1 n ASN 53 Ca 0.09 -1.72 -0.15 0.00 -0.03 0.00 0.00 54.58 52.78 2qb1 n ASN 53 Cb 0.05 -0.59 -0.14 0.00 -0.61 0.00 0.00 39.78 38.49 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 1.20 1.61 -3.45 3.41 -1.04 -1.01 -4.48 114.28 110.52 2qb1 n THR 54 Ca 0.00 -0.72 -0.28 0.00 -2.04 0.00 0.00 64.05 61.01 2qb1 n THR 54 Cb 0.35 -1.24 -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 -3.18 3.55 -1.77 -1.42 3.01 -1.25 -4.99 117.46 111.41 2qb1 n PHE 55 Ca -0.30 -4.08 -0.37 0.00 1.01 0.00 0.00 57.45 53.70 2qb1 n PHE 55 Cb 1.06 -0.62 -0.04 0.00 -0.01 0.00 0.00 39.48 39.86 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 1.01 1.93 -3.75 -1.08 1.02 -1.26 -4.76 120.64 113.75 2qb1 n GLU 56 Ca 0.29 -2.37 -0.03 0.00 -0.02 0.00 0.00 57.16 55.02 2qb1 n GLU 56 Cb 0.40 -3.35 -0.01 0.00 -0.02 0.00 0.00 31.44 28.46 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 5.25 1.13 0.57 3.49 0.23 -1.26 -5.11 119.30 123.59 2qb1 s MET 57 Ca 0.60 -0.63 0.09 0.00 -1.03 0.00 0.00 55.69 54.72 2qb1 s MET 57 Cb 0.07 0.38 0.08 0.00 -1.53 0.00 0.00 34.83 33.83 2qb1 s MET 57 CO 0.10 -0.52 0.79 0.54 -2.03 0.00 0.00 175.02 173.90 2qb1 s ASN 58 N -2.98 5.10 0.26 -1.18 2.20 -1.26 -3.94 114.94 113.15 2qb1 s ASN 58 Ca 0.13 -0.79 -0.02 0.00 -0.94 0.00 0.00 52.86 51.24 2qb1 s ASN 58 Cb -0.01 0.22 0.45 0.00 -2.00 0.00 0.00 41.25 39.91 2qb1 s ASN 58 CO 0.02 -1.33 1.85 1.23 -2.94 0.00 0.00 177.10 175.93 2qb1 h GLY 59 N 0.17 1.50 0.37 0.45 0.00 -1.14 0.28 103.07 104.70 2qb1 h GLY 59 Ca -0.31 -0.42 0.10 0.00 0.00 0.00 0.00 47.33 46.70 2qb1 h GLY 59 CO 0.41 0.23 0.23 0.50 0.00 0.00 0.00 176.54 177.91 2qb1 h LYS 60 N 1.02 0.40 0.05 4.80 1.57 -1.69 -0.96 116.57 121.76 2qb1 h LYS 60 Ca 0.44 -0.02 -0.25 0.00 -1.87 0.00 0.00 60.65 58.95 2qb1 h LYS 60 Cb 0.32 -0.09 0.01 0.00 0.08 0.00 0.00 32.23 32.54 2qb1 h LYS 60 CO -0.22 0.27 -1.07 0.00 -0.57 0.00 0.00 179.45 177.86 2qb1 h ALA 61 N 1.43 0.22 -0.85 3.86 0.00 -1.57 -3.04 119.26 119.30 2qb1 h ALA 61 Ca 0.31 -0.75 0.20 0.00 0.00 0.00 0.00 54.91 54.67 2qb1 h ALA 61 Cb 0.39 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.14 2qb1 h ALA 61 CO -0.31 0.81 0.57 1.25 0.00 0.00 0.00 179.25 181.57 2qb1 h LEU 62 N 0.23 0.34 -0.56 0.00 5.85 -0.01 -0.45 115.31 120.70 2qb1 h LEU 62 Ca -0.12 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.63 2qb1 h LEU 62 Cb 1.73 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.73 2qb1 h LEU 62 CO 0.19 0.14 0.00 -0.07 -0.34 0.00 0.00 178.44 178.36 2qb1 h LEU 63 N 0.34 0.00 0.00 2.25 3.38 -1.06 -3.19 115.31 117.03 2qb1 h LEU 63 Ca 0.43 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 58.21 2qb1 h LEU 63 Cb 1.16 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.88 2qb1 h LEU 63 CO -0.14 0.00 -1.12 -0.07 0.09 0.00 0.00 178.44 177.20 2qb1 h LEU 64 N 0.00 0.00-10.00 1.67 3.38 -1.16 -3.47 115.31 105.73 2qb1 h LEU 64 Ca 0.00 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.43 2qb1 h LEU 64 Cb 0.52 0.00 0.12 0.00 0.09 0.00 0.00 40.66 41.39 2qb1 h LEU 64 CO 0.00 0.77 0.65 -0.76 0.09 0.00 0.00 178.44 179.19 2qb1 s LEU 65 N -6.30 4.03 0.66 1.67 1.43 -1.21 -5.03 118.68 113.94 2qb1 s LEU 65 Ca -0.00 2.80 -0.01 0.00 -1.03 0.00 0.00 54.13 55.89 2qb1 s LEU 65 Cb 0.09 -4.06 0.08 0.00 0.03 0.00 0.00 46.19 42.33 2qb1 s LEU 65 CO 0.80 -1.26 0.92 0.42 0.23 0.00 0.00 176.35 177.47 2qb1 s THR 66 N -1.26 2.35 0.17 5.49 -4.23 -1.26 -4.94 115.64 111.96 2qb1 s THR 66 Ca 0.64 -0.56 -0.14 0.00 -1.18 0.00 0.00 61.69 60.45 2qb1 s THR 66 Cb -0.41 -2.79 0.06 0.00 1.34 0.00 0.00 72.50 70.70 2qb1 s THR 66 CO 0.51 0.00 1.82 0.50 -0.54 0.00 0.00 174.62 176.92 2qb1 h LYS 67 N -0.34 0.69 -0.95 3.99 3.64 -1.98 -1.93 116.57 119.68 2qb1 h LYS 67 Ca -0.40 -0.05 0.14 0.00 -1.27 0.00 0.00 60.65 59.07 2qb1 h LYS 67 Cb 1.28 -0.15 -0.09 0.00 -0.41 0.00 0.00 32.23 32.86 2qb1 h LYS 67 CO 0.47 0.47 0.56 1.49 -2.27 0.00 0.00 179.45 180.18 2qb1 h GLU 68 N 0.70 0.80 0.16 1.90 4.81 -1.98 -1.06 114.58 119.91 2qb1 h GLU 68 Ca 0.19 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.36 2qb1 h GLU 68 Cb -0.05 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.15 2qb1 h GLU 68 CO -0.04 0.53 -0.08 -0.44 -0.73 0.00 0.00 179.01 178.25 2qb1 h ASP 69 N 0.82 -0.18 -0.78 1.04 3.32 -1.77 -0.84 116.42 118.03 2qb1 h ASP 69 Ca 0.50 -0.18 0.16 0.00 0.02 0.00 0.00 57.03 57.53 2qb1 h ASP 69 Cb 0.62 0.05 -0.10 0.00 0.22 0.00 0.00 39.33 40.12 2qb1 h ASP 69 CO -0.32 0.08 0.30 -0.26 -1.72 0.00 0.00 179.24 177.32 2qb1 h PHE 70 N -0.45 0.50 0.00 4.55 -1.00 -1.08 0.15 116.94 119.61 2qb1 h PHE 70 Ca -0.02 0.04 -0.01 0.00 2.81 0.00 0.00 57.97 60.78 2qb1 h PHE 70 Cb 0.35 -0.10 -0.00 0.00 3.61 0.00 0.00 35.95 39.81 2qb1 h PHE 70 CO 0.00 0.02 -0.07 0.00 -1.61 0.00 0.00 178.31 176.65 2qb1 h ARG 71 N 0.41 0.00 0.02 1.51 3.08 -0.97 -0.35 114.38 118.08 2qb1 h ARG 71 Ca 0.45 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 60.31 2qb1 h ARG 71 Cb 0.73 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.79 2qb1 h ARG 71 CO -0.45 0.07 -0.74 -0.92 -1.07 0.00 0.00 179.97 176.86 2qb1 h TYR 72 N 0.00 0.71 -0.11 3.04 3.20 0.73 -3.17 116.97 121.38 2qb1 h TYR 72 Ca -0.00 -0.40 -0.19 0.00 3.14 0.00 0.00 58.73 61.28 2qb1 h TYR 72 Cb 0.36 -0.08 -0.00 0.00 1.54 0.00 0.00 36.73 38.55 2qb1 h TYR 72 CO 0.00 1.23 -0.71 0.00 -1.64 0.00 0.00 178.16 177.04 2qb1 h ARG 73 N -0.01 0.49 -3.20 1.82 3.08 -1.11 -3.41 114.38 112.04 2qb1 h ARG 73 Ca -0.10 -0.38 -0.49 0.00 0.07 0.00 0.00 59.98 59.07 2qb1 h ARG 73 Cb 1.45 0.08 -0.40 0.00 0.08 0.00 0.00 29.97 31.17 2qb1 h ARG 73 CO 0.14 1.01 -0.76 -1.12 -1.07 0.00 0.00 179.97 178.18 2qb1 s SER 74 N -6.99 2.76 0.33 7.04 0.01 -0.16 -5.02 113.70 111.67 2qb1 s SER 74 Ca -0.07 -0.81 0.01 0.00 1.31 0.00 0.00 55.95 56.39 2qb1 s SER 74 Cb 0.10 -0.40 0.56 0.00 0.21 0.00 0.00 66.02 66.49 2qb1 s SER 74 CO 0.85 -0.35 1.99 -0.65 0.41 0.00 0.00 173.24 175.49 2qb1 h PRO 75 N 8.35 0.94 0.00 12.44 0.11 -1.80 -1.23 132.00 150.82 2qb1 h PRO 75 Ca -0.16 -0.06 -0.22 0.00 0.11 0.00 0.00 66.00 65.67 2qb1 h PRO 75 Cb 1.12 -0.21 -0.03 0.00 0.11 0.00 0.00 31.00 31.98 2qb1 h PRO 75 CO 0.33 0.62 -1.35 0.72 -0.21 0.00 0.00 178.00 178.11 2qb1 n HIS 76 N -4.43 0.74 0.11 0.65 8.25 -1.26 -4.50 115.22 114.79 2qb1 n HIS 76 Ca 0.08 0.32 -0.17 0.00 -0.26 0.00 0.00 57.72 57.69 2qb1 n HIS 76 Cb 0.05 -0.98 -0.14 0.00 1.12 0.00 0.00 29.99 30.04 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 0.49 0.00 0.41 0.02 -1.94 -3.43 113.55 108.10 2qb1 h SER 77 Ca -0.33 -0.52 0.00 0.00 -0.84 0.00 0.00 61.79 60.10 2qb1 h SER 77 Cb 1.19 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 63.58 2qb1 h SER 77 CO -0.20 1.41 0.00 0.61 -1.14 0.00 0.00 176.83 177.51 2qb1 n GLY 78 N 1.56 0.00 0.26 -3.77 0.00 -0.46 -0.26 105.19 102.52 2qb1 n GLY 78 Ca -0.10 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.22 1.61 3.04 -1.83 -2.49 116.42 116.53 2qb1 h ASP 79 Ca 0.00 0.00 -0.14 0.00 -3.24 0.00 0.00 57.03 53.65 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 0.14 -0.39 0.58 -2.04 0.00 0.00 179.24 177.52 2qb1 h VAL 80 N 0.00 1.32 -0.34 4.15 2.07 -0.94 -1.32 116.25 121.19 2qb1 h VAL 80 Ca -0.00 -1.61 -0.03 0.00 0.82 0.00 0.00 66.70 65.88 2qb1 h VAL 80 Cb 0.40 1.80 -0.02 0.00 -1.52 0.00 0.00 31.29 31.95 2qb1 h VAL 80 CO 0.02 0.50 0.09 -0.07 0.02 0.00 0.00 177.57 178.13 2qb1 h LEU 81 N 0.36 0.45 0.08 2.57 3.38 -1.11 -0.96 115.31 120.08 2qb1 h LEU 81 Ca 0.01 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 2qb1 h LEU 81 Cb 0.99 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.63 2qb1 h LEU 81 CO 0.09 0.46 -0.04 0.22 0.09 0.00 0.00 178.44 179.26 2qb1 h TYR 82 N 0.49 -0.09 -0.37 1.13 3.20 -1.25 -2.35 116.97 117.72 2qb1 h TYR 82 Ca 0.12 -0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.93 2qb1 h TYR 82 Cb 0.19 0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.47 2qb1 h TYR 82 CO 0.01 0.26 0.01 0.93 -1.64 0.00 0.00 178.16 177.72 2qb1 h GLU 83 N -0.46 0.57 -0.44 1.82 4.39 -1.11 -0.88 114.58 118.47 2qb1 h GLU 83 Ca -0.01 -0.12 0.01 0.00 0.34 0.00 0.00 59.36 59.57 2qb1 h GLU 83 Cb 0.39 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.94 2qb1 h GLU 83 CO 0.02 0.59 0.29 1.25 -1.16 0.00 0.00 179.01 180.00 2qb1 h LEU 84 N 0.55 0.50 -0.37 1.33 5.85 -1.18 0.42 115.31 122.41 2qb1 h LEU 84 Ca 0.12 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.81 2qb1 h LEU 84 Cb 0.34 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 2qb1 h LEU 84 CO 0.01 0.36 0.16 0.25 -0.34 0.00 0.00 178.44 178.88 2qb1 h LEU 85 N 0.60 0.50 -0.56 2.25 5.85 -0.86 -0.68 115.31 122.40 2qb1 h LEU 85 Ca 0.16 -0.15 0.04 0.00 0.84 0.00 0.00 57.88 58.77 2qb1 h LEU 85 Cb -0.07 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 40.79 2qb1 h LEU 85 CO -0.04 0.51 0.32 1.56 -0.34 0.00 0.00 178.44 180.45 2qb1 h GLN 86 N 0.45 0.60 -0.46 1.25 1.08 -0.95 0.22 115.11 117.29 2qb1 h GLN 86 Ca 0.12 -0.04 -0.02 0.00 -1.45 0.00 0.00 58.65 57.27 2qb1 h GLN 86 Cb 0.16 -0.14 -0.02 0.00 -0.05 0.00 0.00 27.48 27.44 2qb1 h GLN 86 CO -0.01 0.40 0.22 1.25 -0.95 0.00 0.00 178.83 179.73 2qb1 h HIS 87 N 0.62 0.64 -0.15 2.96 2.76 -0.62 -1.45 115.15 119.90 2qb1 h HIS 87 Ca 0.24 -0.02 -0.08 0.00 -2.20 0.00 0.00 60.37 58.31 2qb1 h HIS 87 Cb 0.08 -0.20 -0.00 0.00 1.55 0.00 0.00 27.41 28.84 2qb1 h HIS 87 CO -0.08 0.48 -0.20 0.82 -1.30 0.00 0.00 177.93 177.65 2qb1 h ILE 88 N 0.65 1.35 -0.75 6.26 2.04 -0.25 -3.13 117.51 123.69 2qb1 h ILE 88 Ca 0.16 -1.41 0.07 0.00 1.00 0.00 0.00 64.86 64.69 2qb1 h ILE 88 Cb 0.08 1.91 -0.05 0.00 -0.74 0.00 0.00 36.82 38.02 2qb1 h ILE 88 CO -0.02 0.42 0.49 -0.07 0.00 0.00 0.00 178.15 178.97 2qb1 h LEU 89 N 0.04 0.68 0.00 1.44 3.38 -0.46 -0.96 115.31 119.42 2qb1 h LEU 89 Ca 0.02 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2qb1 h LEU 89 Cb 0.76 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.37 2qb1 h LEU 89 CO 0.05 0.43 0.00 0.00 0.09 0.00 0.00 178.44 179.01 2qb1 n ALA 90 N -2.44 2.35 -1.00 1.53 0.00 -0.59 -4.71 120.51 115.64 2qb1 n ALA 90 Ca 0.11 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.42 2qb1 n ALA 90 Cb 0.25 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.35 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 -0.95 0.00 -0.38 0.00 1.13 -0.37 -5.09 117.38 111.73 2qb1 n GLN 91 Ca 0.16 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.22 2qb1 n GLN 91 Cb 0.07 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.42 2qb1 n GLN 91 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62