#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qb0 s ILE 16 N 0.00 4.20 -0.42 2.46 -4.36 -1.26 -5.08 121.20 116.74 2qb0 s ILE 16 Ca 0.00 -0.27 -0.15 0.00 -0.26 0.00 0.00 60.65 59.97 2qb0 s ILE 16 Cb 0.00 -2.99 0.03 0.00 1.25 0.00 0.00 42.46 40.75 2qb0 s ILE 16 CO 0.00 0.30 0.30 -0.13 0.24 0.00 0.00 174.94 175.66 2qb0 s ARG 17 N 1.59 2.95 0.42 0.37 1.81 -1.26 -5.07 118.95 119.77 2qb0 s ARG 17 Ca 0.06 -1.08 0.08 0.00 -1.72 0.00 0.00 55.73 53.07 2qb0 s ARG 17 Cb -0.15 -3.97 0.01 0.00 -0.45 0.00 0.00 34.95 30.38 2qb0 s ARG 17 CO 0.03 -0.79 0.58 -0.48 -0.68 0.00 0.00 175.30 173.96 2qb0 s LEU 18 N 1.66 3.65 0.69 2.53 2.34 -1.26 -5.08 118.68 123.21 2qb0 s LEU 18 Ca 0.05 -0.41 -0.17 0.00 0.06 0.00 0.00 54.13 53.66 2qb0 s LEU 18 Cb -0.20 -2.66 0.01 0.00 -0.56 0.00 0.00 46.19 42.78 2qb0 s LEU 18 CO 0.09 -0.77 1.20 -2.65 -1.06 0.00 0.00 176.35 173.16 2qb0 n PRO 19 N -1.86 0.83 -0.22 1.48 -0.02 -1.26 -4.82 135.00 129.13 2qb0 n PRO 19 Ca 0.08 0.34 0.02 0.00 -2.02 0.00 0.00 63.50 61.93 2qb0 n PRO 19 Cb 0.59 -2.44 0.13 0.00 -0.02 0.00 0.00 33.50 31.76 2qb0 n PRO 19 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2qb0 h ALA 20 N 0.14 0.80 0.00 3.55 0.00 -2.01 -1.13 119.26 120.61 2qb0 h ALA 20 Ca -0.49 0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.55 2qb0 h ALA 20 Cb 1.33 0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.30 2qb0 h ALA 20 CO 0.51 -0.30 0.00 -2.39 0.00 0.00 0.00 179.25 177.07 2qb0 n HIS 21 N -5.12 0.07 0.13 0.00 -0.00 -1.26 -2.11 115.22 106.94 2qb0 n HIS 21 Ca 0.11 0.03 0.04 0.00 -0.00 0.00 0.00 57.72 57.90 2qb0 n HIS 21 Cb 0.36 -0.56 0.07 0.00 -0.00 0.00 0.00 29.99 29.86 2qb0 n HIS 21 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 2qb0 n LEU 22 N -1.57 2.09 0.00 2.39 4.77 -0.44 -4.54 117.00 119.70 2qb0 n LEU 22 Ca 0.01 -1.43 0.10 0.00 -0.03 0.00 0.00 56.01 54.66 2qb0 n LEU 22 Cb 0.07 -0.07 0.58 0.00 -2.33 0.00 0.00 43.42 41.66 2qb0 n LEU 22 CO 0.06 0.48 0.79 0.54 -1.33 0.00 0.00 177.39 177.92 2qb0 n ARG 23 N 0.35 0.72 -2.81 3.23 1.74 -0.90 -4.74 116.66 114.25 2qb0 n ARG 23 Ca 0.06 0.00 -0.33 0.00 -0.77 0.00 0.00 57.85 56.81 2qb0 n ARG 23 Cb 0.27 -1.42 -0.06 0.00 -1.02 0.00 0.00 32.46 30.23 2qb0 n ARG 23 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 2qb0 s LEU 24 N -1.85 3.91 0.23 0.55 2.96 -1.26 -4.99 118.68 118.22 2qb0 s LEU 24 Ca 0.29 1.59 -0.32 0.00 -0.22 0.00 0.00 54.13 55.48 2qb0 s LEU 24 Cb 0.13 -4.45 -0.13 0.00 0.50 0.00 0.00 46.19 42.25 2qb0 s LEU 24 CO 0.22 -0.37 1.58 0.00 -1.32 0.00 0.00 176.35 176.46 2qb0 n GLN 25 N -0.75 2.42 0.01 1.98 6.02 -1.26 -4.84 117.38 120.96 2qb0 n GLN 25 Ca 0.06 0.87 0.22 0.00 -0.01 0.00 0.00 57.00 58.14 2qb0 n GLN 25 Cb 0.54 -2.63 0.61 0.00 1.02 0.00 0.00 30.24 29.78 2qb0 n GLN 25 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 177.06 174.70 2qb0 h PRO 26 N 5.44 0.00 0.00 -1.09 0.11 -1.94 0.12 132.00 134.64 2qb0 h PRO 26 Ca -0.45 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.64 2qb0 h PRO 26 Cb 1.24 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.34 2qb0 h PRO 26 CO 0.85 0.00 -0.11 0.97 -0.21 0.00 0.00 178.00 179.50 2qb0 h ILE 27 N 0.00 0.36 -0.09 4.15 2.10 -1.88 -2.48 117.51 119.67 2qb0 h ILE 27 Ca 0.28 -0.67 0.00 0.00 1.08 0.00 0.00 64.86 65.55 2qb0 h ILE 27 Cb 1.76 1.49 0.00 0.00 -1.09 0.00 0.00 36.82 38.98 2qb0 h ILE 27 CO -0.00 0.11 0.00 -1.22 -1.08 0.00 0.00 178.15 175.96 2qb0 n TYR 28 N -3.36 0.09 -2.22 2.19 4.02 0.42 -3.99 117.16 114.31 2qb0 n TYR 28 Ca -0.01 -0.04 -0.42 0.00 -0.01 0.00 0.00 57.90 57.42 2qb0 n TYR 28 Cb 0.30 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.59 2qb0 n TYR 28 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 176.86 174.27 2qb0 s TRP 29 N -1.91 3.27 0.87 -0.72 0.51 -0.93 -4.93 118.94 115.09 2qb0 s TRP 29 Ca 0.33 1.15 -0.13 0.00 -2.12 0.00 0.00 56.10 55.32 2qb0 s TRP 29 Cb 0.20 -3.61 0.12 0.00 -0.81 0.00 0.00 33.47 29.37 2qb0 s TRP 29 CO 0.31 -1.98 1.20 -1.54 -0.51 0.00 0.00 176.95 174.42 2qb0 s SER 30 N 0.62 3.96 0.28 2.95 1.04 -1.26 -0.28 113.70 121.00 2qb0 s SER 30 Ca 0.59 0.72 0.01 0.00 0.48 0.00 0.00 55.95 57.75 2qb0 s SER 30 Cb -0.36 -1.13 0.59 0.00 0.10 0.00 0.00 66.02 65.22 2qb0 s SER 30 CO 0.35 -2.24 1.78 -0.09 0.98 0.00 0.00 173.24 174.01 2qb0 h ARG 31 N -1.29 0.70 -0.10 4.02 9.65 -1.91 -1.72 114.38 123.73 2qb0 h ARG 31 Ca -0.47 -0.04 -0.14 0.00 -1.10 0.00 0.00 59.98 58.23 2qb0 h ARG 31 Cb 1.31 -0.16 -0.01 0.00 -1.39 0.00 0.00 29.97 29.72 2qb0 h ARG 31 CO 0.59 0.46 -0.56 -0.44 2.80 0.00 0.00 179.97 182.82 2qb0 h ASP 32 N 0.72 0.35 -0.62 -3.80 5.19 -1.93 -3.06 116.42 113.27 2qb0 h ASP 32 Ca 0.50 -0.19 -0.02 0.00 -0.62 0.00 0.00 57.03 56.70 2qb0 h ASP 32 Cb 0.69 -0.10 -0.03 0.00 0.18 0.00 0.00 39.33 40.07 2qb0 h ASP 32 CO -0.35 0.84 0.30 0.44 -3.12 0.00 0.00 179.24 177.35 2qb0 h ASP 33 N 0.24 0.82 0.20 6.45 3.32 -1.67 -1.56 116.42 124.22 2qb0 h ASP 33 Ca 0.00 -0.13 -0.10 0.00 0.02 0.00 0.00 57.03 56.82 2qb0 h ASP 33 Cb 1.06 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 40.39 2qb0 h ASP 33 CO 0.09 0.72 -0.38 -0.37 -1.72 0.00 0.00 179.24 177.59 2qb0 h VAL 34 N 0.86 1.30 -0.72 -1.35 -1.51 -1.47 -0.15 116.25 113.20 2qb0 h VAL 34 Ca 0.21 -1.44 -0.05 0.00 -1.23 0.00 0.00 66.70 64.19 2qb0 h VAL 34 Cb 0.12 1.63 -0.03 0.00 -2.13 0.00 0.00 31.29 30.88 2qb0 h VAL 34 CO -0.03 0.43 0.26 0.00 -1.23 0.00 0.00 177.57 177.01 2qb0 h ALA 35 N 1.40 0.94 -0.25 5.19 0.00 -1.38 -0.08 119.26 125.08 2qb0 h ALA 35 Ca 0.02 -0.20 -0.12 0.00 0.00 0.00 0.00 54.91 54.61 2qb0 h ALA 35 Cb 0.77 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 2qb0 h ALA 35 CO 0.06 0.59 -0.36 1.96 0.00 0.00 0.00 179.25 181.50 2qb0 h GLN 36 N 1.05 0.55 -0.28 0.00 7.50 -0.91 -2.21 115.11 120.80 2qb0 h GLN 36 Ca 0.24 -0.26 -0.02 0.00 0.50 0.00 0.00 58.65 59.11 2qb0 h GLN 36 Cb 0.25 -0.01 -0.01 0.00 0.05 0.00 0.00 27.48 27.76 2qb0 h GLN 36 CO -0.01 0.83 0.12 2.35 -1.50 0.00 0.00 178.83 180.61 2qb0 h TRP 37 N 0.46 0.43 -0.36 2.96 7.01 -0.69 0.12 115.95 125.88 2qb0 h TRP 37 Ca 0.05 -0.03 0.05 0.00 2.11 0.00 0.00 58.89 61.07 2qb0 h TRP 37 Cb 0.84 -0.13 -0.05 0.00 -2.10 0.00 0.00 29.16 27.72 2qb0 h TRP 37 CO 0.03 0.43 0.06 -0.07 -2.79 0.00 0.00 178.44 176.10 2qb0 h LEU 38 N 0.31 -0.00 -0.83 0.65 4.07 -0.96 0.11 115.31 118.67 2qb0 h LEU 38 Ca 0.10 0.06 -0.06 0.00 0.08 0.00 0.00 57.88 58.05 2qb0 h LEU 38 Cb 0.18 0.09 -0.03 0.00 1.08 0.00 0.00 40.66 41.97 2qb0 h LEU 38 CO -0.01 0.03 0.16 0.50 -1.08 0.00 0.00 178.44 178.05 2qb0 h LYS 39 N 0.18 1.04 0.02 1.13 3.64 -1.18 -1.41 116.57 120.00 2qb0 h LYS 39 Ca 0.17 -0.24 -0.00 0.00 -1.27 0.00 0.00 60.65 59.31 2qb0 h LYS 39 Cb 0.20 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 31.88 2qb0 h LYS 39 CO -0.23 0.92 -0.01 2.35 -2.27 0.00 0.00 179.45 180.20 2qb0 h TRP 40 N 0.99 -0.03 -0.95 1.91 7.01 -0.62 -3.09 115.95 121.17 2qb0 h TRP 40 Ca 0.21 -0.00 0.05 0.00 2.11 0.00 0.00 58.89 61.26 2qb0 h TRP 40 Cb 0.34 0.01 -0.06 0.00 -2.10 0.00 0.00 29.16 27.36 2qb0 h TRP 40 CO 0.02 0.30 0.62 0.00 -2.79 0.00 0.00 178.44 176.59 2qb0 h ALA 41 N 0.60 1.42 -0.30 2.65 0.00 -0.64 0.16 119.26 123.15 2qb0 h ALA 41 Ca -0.00 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 54.91 2qb0 h ALA 41 Cb 0.34 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 2qb0 h ALA 41 CO 0.01 0.47 0.07 1.49 0.00 0.00 0.00 179.25 181.28 2qb0 h GLU 42 N 1.16 0.18 -0.11 0.00 4.81 -1.27 -1.28 114.58 118.07 2qb0 h GLU 42 Ca 0.39 -0.01 -0.20 0.00 -0.13 0.00 0.00 59.36 59.41 2qb0 h GLU 42 Cb 0.08 -0.04 0.01 0.00 0.63 0.00 0.00 28.75 29.43 2qb0 h GLU 42 CO -0.13 0.12 -0.72 -0.97 -0.73 0.00 0.00 179.01 176.57 2qb0 h ASN 43 N 0.18 0.83 -0.06 1.04 -1.24 -1.34 -1.89 115.58 113.10 2qb0 h ASN 43 Ca 0.14 -0.65 -0.07 0.00 0.71 0.00 0.00 56.30 56.43 2qb0 h ASN 43 Cb 0.14 -0.25 -0.01 0.00 0.73 0.00 0.00 38.32 38.93 2qb0 h ASN 43 CO -0.17 1.35 -0.15 -0.08 -1.29 0.00 0.00 177.43 177.09 2qb0 h GLU 44 N 0.37 0.40 -0.21 6.67 4.57 -0.91 -3.24 114.58 122.22 2qb0 h GLU 44 Ca -0.06 -0.11 0.00 0.00 -1.18 0.00 0.00 59.36 58.01 2qb0 h GLU 44 Cb 1.36 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.91 2qb0 h GLU 44 CO 0.15 0.55 0.00 1.19 -1.18 0.00 0.00 179.01 179.72 2qb0 n PHE 45 N -4.21 0.28 -3.75 0.92 3.72 -0.49 -5.01 117.46 108.92 2qb0 n PHE 45 Ca 0.00 -0.37 -0.23 0.00 -0.05 0.00 0.00 57.45 56.79 2qb0 n PHE 45 Cb 0.32 -0.02 0.03 0.00 -0.94 0.00 0.00 39.48 38.87 2qb0 n PHE 45 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 2qb0 n SER 46 N 0.36 -2.03 -4.93 4.37 7.64 -0.78 -4.99 113.62 113.26 2qb0 n SER 46 Ca 0.08 -0.81 -0.25 0.00 1.01 0.00 0.00 58.87 58.90 2qb0 n SER 46 Cb 0.35 -4.01 0.03 0.00 -1.01 0.00 0.00 64.21 59.57 2qb0 n SER 46 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2qb0 s LEU 47 N -6.83 3.26 0.59 -3.43 1.43 -0.79 -5.06 118.68 107.84 2qb0 s LEU 47 Ca 0.16 0.53 -0.19 0.00 -1.03 0.00 0.00 54.13 53.59 2qb0 s LEU 47 Cb -0.08 -3.34 -0.03 0.00 0.03 0.00 0.00 46.19 42.76 2qb0 s LEU 47 CO 0.82 -1.08 1.26 -0.13 0.23 0.00 0.00 176.35 177.44 2qb0 s ARG 48 N -4.92 2.96 0.12 1.70 1.81 -1.26 -4.89 118.95 114.47 2qb0 s ARG 48 Ca 0.54 1.96 -0.34 0.00 -1.72 0.00 0.00 55.73 56.17 2qb0 s ARG 48 Cb -0.10 -2.01 -0.14 0.00 -0.45 0.00 0.00 34.95 32.25 2qb0 s ARG 48 CO 0.43 -1.25 1.60 -2.30 -0.68 0.00 0.00 175.30 173.10 2qb0 n PRO 49 N -1.47 2.09 -3.59 3.54 -0.02 -1.26 -4.96 135.00 129.32 2qb0 n PRO 49 Ca 0.13 0.76 -0.37 0.00 -2.02 0.00 0.00 63.50 62.00 2qb0 n PRO 49 Cb 0.48 -2.53 -0.09 0.00 -0.02 0.00 0.00 33.50 31.35 2qb0 n PRO 49 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2qb0 s ILE 50 N 1.31 5.32 0.39 4.25 -1.09 -1.26 -5.07 121.20 125.05 2qb0 s ILE 50 Ca 0.81 0.32 -0.27 0.00 -2.23 0.00 0.00 60.65 59.28 2qb0 s ILE 50 Cb -0.70 -3.56 -0.09 0.00 -1.58 0.00 0.00 42.46 36.53 2qb0 s ILE 50 CO 0.40 0.33 1.35 -0.62 -1.23 0.00 0.00 174.94 175.18 2qb0 s ASP 51 N 0.98 6.37 0.55 3.58 2.15 -1.26 -4.91 116.67 124.14 2qb0 s ASP 51 Ca 0.11 2.77 0.30 0.00 0.43 0.00 0.00 52.55 56.15 2qb0 s ASP 51 Cb -0.14 -2.65 1.63 0.00 -0.30 0.00 0.00 42.92 41.46 2qb0 s ASP 51 CO 0.05 -0.82 2.14 0.28 -0.17 0.00 0.00 175.17 176.65 2qb0 h SER 52 N 2.86 0.00 -0.52 -0.34 0.02 -1.97 -2.75 113.55 110.85 2qb0 h SER 52 Ca -0.50 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.45 2qb0 h SER 52 Cb 1.24 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.78 2qb0 h SER 52 CO 0.63 0.07 0.00 0.59 -1.14 0.00 0.00 176.83 176.99 2qb0 n ASN 53 N -3.60 4.65 -0.00 3.07 4.13 -1.26 -4.39 115.26 117.85 2qb0 n ASN 53 Ca -0.02 -2.60 -0.11 0.00 1.68 0.00 0.00 54.58 53.53 2qb0 n ASN 53 Cb 0.19 -0.60 0.03 0.00 -1.54 0.00 0.00 39.78 37.86 2qb0 n ASN 53 CO 0.00 0.00 0.00 0.74 0.28 0.00 0.00 177.26 178.28 2qb0 h THR 54 N 3.47 1.32 -2.41 3.41 2.02 -1.87 -3.36 112.91 115.50 2qb0 h THR 54 Ca 0.00 -1.85 -0.60 0.00 0.77 0.00 0.00 66.41 64.74 2qb0 h THR 54 Cb 1.55 1.81 -0.41 0.00 -1.74 0.00 0.00 68.15 69.36 2qb0 h THR 54 CO 0.32 0.58 -0.75 0.49 0.37 0.00 0.00 175.52 176.53 2qb0 n PHE 55 N -3.95 2.09 -2.06 3.16 3.72 -1.26 -4.98 117.46 114.19 2qb0 n PHE 55 Ca -0.04 -3.96 -0.42 0.00 -0.05 0.00 0.00 57.45 52.98 2qb0 n PHE 55 Cb 0.63 -0.42 -0.00 0.00 -0.94 0.00 0.00 39.48 38.75 2qb0 n PHE 55 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 2qb0 n GLU 56 N 1.53 2.96 -3.55 -1.08 1.02 -1.26 -4.80 120.64 115.45 2qb0 n GLU 56 Ca 0.26 -2.86 -0.07 0.00 -0.02 0.00 0.00 57.16 54.47 2qb0 n GLU 56 Cb 0.43 -3.37 -0.02 0.00 -0.02 0.00 0.00 31.44 28.46 2qb0 n GLU 56 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2qb0 s MET 57 N 3.66 0.84 0.83 3.49 0.23 -1.26 -5.12 119.30 121.97 2qb0 s MET 57 Ca 0.50 -0.34 -0.08 0.00 -1.03 0.00 0.00 55.69 54.74 2qb0 s MET 57 Cb 0.10 0.36 0.16 0.00 -1.53 0.00 0.00 34.83 33.92 2qb0 s MET 57 CO -0.02 -0.37 1.15 0.54 -2.03 0.00 0.00 175.02 174.29 2qb0 s ASN 58 N -2.54 3.78 0.31 -1.18 2.20 -1.26 -4.19 114.94 112.05 2qb0 s ASN 58 Ca 0.07 -0.05 -0.00 0.00 -0.94 0.00 0.00 52.86 51.93 2qb0 s ASN 58 Cb -0.01 -0.18 0.50 0.00 -2.00 0.00 0.00 41.25 39.57 2qb0 s ASN 58 CO -0.07 -2.27 1.96 1.23 -2.94 0.00 0.00 177.10 175.01 2qb0 h GLY 59 N -1.05 1.16 0.98 0.45 0.00 -0.81 -1.31 103.07 102.48 2qb0 h GLY 59 Ca -0.40 -0.41 0.05 0.00 0.00 0.00 0.00 47.33 46.57 2qb0 h GLY 59 CO 0.40 0.37 0.55 0.50 0.00 0.00 0.00 176.54 178.36 2qb0 h LYS 60 N 1.05 0.95 0.03 4.80 1.57 -1.72 -1.19 116.57 122.06 2qb0 h LYS 60 Ca 0.32 -0.06 -0.22 0.00 -1.87 0.00 0.00 60.65 58.82 2qb0 h LYS 60 Cb -0.02 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.07 2qb0 h LYS 60 CO -0.09 0.63 -0.99 0.00 -0.57 0.00 0.00 179.45 178.43 2qb0 h ALA 61 N 1.53 0.36 -0.44 3.86 0.00 -1.78 -3.24 119.26 119.57 2qb0 h ALA 61 Ca 0.35 -0.78 -0.03 0.00 0.00 0.00 0.00 54.91 54.45 2qb0 h ALA 61 Cb 0.14 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2qb0 h ALA 61 CO -0.12 0.94 0.15 1.25 0.00 0.00 0.00 179.25 181.47 2qb0 h LEU 62 N 0.11 0.57 0.00 0.00 7.12 -0.38 -2.24 115.31 120.50 2qb0 h LEU 62 Ca -0.07 -0.07 0.00 0.00 0.13 0.00 0.00 57.88 57.87 2qb0 h LEU 62 Cb 1.66 -0.15 0.00 0.00 -0.53 0.00 0.00 40.66 41.65 2qb0 h LEU 62 CO 0.16 0.54 0.00 0.18 -0.13 0.00 0.00 178.44 179.19 2qb0 n LEU 63 N -4.35 0.00 0.04 2.25 4.77 -0.54 -3.58 117.00 115.60 2qb0 n LEU 63 Ca 0.03 0.42 -0.04 0.00 -0.03 0.00 0.00 56.01 56.39 2qb0 n LEU 63 Cb 0.17 -0.42 -0.10 0.00 -2.33 0.00 0.00 43.42 40.74 2qb0 n LEU 63 CO 0.38 -0.08 -0.11 -0.07 -1.33 0.00 0.00 177.39 176.18 2qb0 h LEU 64 N 0.00 0.00 -9.76 2.23 3.38 -1.48 -3.47 115.31 106.20 2qb0 h LEU 64 Ca 0.00 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.44 2qb0 h LEU 64 Cb 0.35 0.00 0.06 0.00 0.09 0.00 0.00 40.66 41.15 2qb0 h LEU 64 CO 0.00 0.83 0.74 -0.76 0.09 0.00 0.00 178.44 179.34 2qb0 s LEU 65 N -6.27 4.39 0.73 1.67 1.43 -1.23 -5.07 118.68 114.32 2qb0 s LEU 65 Ca -0.01 2.66 -0.07 0.00 -1.03 0.00 0.00 54.13 55.68 2qb0 s LEU 65 Cb 0.09 -3.63 0.08 0.00 0.03 0.00 0.00 46.19 42.76 2qb0 s LEU 65 CO 0.81 -0.67 1.04 -0.89 0.23 0.00 0.00 176.35 176.86 2qb0 s THR 66 N -0.16 2.24 0.28 5.49 2.01 -1.26 -4.95 115.64 119.29 2qb0 s THR 66 Ca 0.58 -0.28 -0.02 0.00 0.31 0.00 0.00 61.69 62.28 2qb0 s THR 66 Cb -0.41 -2.96 0.20 0.00 0.01 0.00 0.00 72.50 69.33 2qb0 s THR 66 CO 0.44 0.00 1.88 0.50 -0.69 0.00 0.00 174.62 176.75 2qb0 h LYS 67 N -0.69 0.96 -0.87 4.92 3.64 -1.97 -2.47 116.57 120.08 2qb0 h LYS 67 Ca -0.44 -0.14 0.03 0.00 -1.27 0.00 0.00 60.65 58.84 2qb0 h LYS 67 Cb 1.30 -0.18 -0.05 0.00 -0.41 0.00 0.00 32.23 32.90 2qb0 h LYS 67 CO 0.56 0.76 0.58 1.49 -2.27 0.00 0.00 179.45 180.57 2qb0 h GLU 68 N 0.96 1.06 -0.57 1.90 4.81 -1.98 -1.03 114.58 119.73 2qb0 h GLU 68 Ca 0.23 -0.06 -0.07 0.00 -0.13 0.00 0.00 59.36 59.33 2qb0 h GLU 68 Cb 0.13 -0.24 -0.02 0.00 0.63 0.00 0.00 28.75 29.24 2qb0 h GLU 68 CO -0.03 0.70 0.08 -0.44 -0.73 0.00 0.00 179.01 178.60 2qb0 h ASP 69 N 1.10 0.92 -0.48 1.04 3.32 -1.82 -0.66 116.42 119.83 2qb0 h ASP 69 Ca 0.35 -0.26 -0.01 0.00 0.02 0.00 0.00 57.03 57.13 2qb0 h ASP 69 Cb 0.02 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.30 2qb0 h ASP 69 CO -0.10 0.95 0.28 -0.26 -1.72 0.00 0.00 179.24 178.39 2qb0 h PHE 70 N 0.85 0.65 -0.80 4.55 0.04 -1.14 -1.21 116.94 119.87 2qb0 h PHE 70 Ca 0.17 -0.01 -0.03 0.00 2.80 0.00 0.00 57.97 60.90 2qb0 h PHE 70 Cb 0.43 -0.21 -0.04 0.00 2.20 0.00 0.00 35.95 38.33 2qb0 h PHE 70 CO 0.03 0.46 0.37 0.00 -0.60 0.00 0.00 178.31 178.58 2qb0 h ARG 71 N 0.64 1.17 -0.38 1.51 3.08 -0.94 0.23 114.38 119.69 2qb0 h ARG 71 Ca 0.17 -0.18 -0.07 0.00 0.07 0.00 0.00 59.98 59.97 2qb0 h ARG 71 Cb 0.01 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 29.84 2qb0 h ARG 71 CO -0.03 0.91 -0.03 -0.92 -1.07 0.00 0.00 179.97 178.83 2qb0 h TYR 72 N 1.15 0.76 -0.02 3.04 5.03 -0.92 -2.08 116.97 123.93 2qb0 h TYR 72 Ca 0.27 -0.14 -0.18 0.00 2.58 0.00 0.00 58.73 61.26 2qb0 h TYR 72 Cb 0.14 -0.19 -0.01 0.00 1.55 0.00 0.00 36.73 38.21 2qb0 h TYR 72 CO 0.01 0.80 -0.78 0.00 -1.32 0.00 0.00 178.16 176.88 2qb0 h ARG 73 N 0.51 0.17 -2.72 1.82 3.08 -1.06 -3.39 114.38 112.79 2qb0 h ARG 73 Ca 0.10 -0.16 -0.60 0.00 0.07 0.00 0.00 59.98 59.39 2qb0 h ARG 73 Cb 0.52 0.04 -0.39 0.00 0.08 0.00 0.00 29.97 30.21 2qb0 h ARG 73 CO 0.03 0.87 -0.81 0.45 -1.07 0.00 0.00 179.97 179.43 2qb0 s SER 74 N -6.90 3.00 0.49 7.04 0.15 0.80 -4.98 113.70 113.29 2qb0 s SER 74 Ca -0.03 -2.76 0.18 0.00 0.70 0.00 0.00 55.95 54.05 2qb0 s SER 74 Cb 0.11 -0.77 1.21 0.00 -1.71 0.00 0.00 66.02 64.87 2qb0 s SER 74 CO 0.81 -0.23 2.03 -0.65 1.20 0.00 0.00 173.24 176.40 2qb0 h PRO 75 N 6.37 0.16 0.02 5.44 0.11 -1.58 0.35 132.00 142.88 2qb0 h PRO 75 Ca 0.10 -0.01 -0.28 0.00 0.11 0.00 0.00 66.00 65.92 2qb0 h PRO 75 Cb 0.92 -0.04 -0.04 0.00 0.11 0.00 0.00 31.00 31.95 2qb0 h PRO 75 CO 0.42 0.11 -1.58 0.45 -0.21 0.00 0.00 178.00 177.19 2qb0 h HIS 76 N 0.17 0.10 0.00 0.65 3.86 -1.95 -3.42 115.15 114.55 2qb0 h HIS 76 Ca 0.20 -0.07 0.00 0.00 -1.16 0.00 0.00 60.37 59.34 2qb0 h HIS 76 Cb 0.57 -0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.04 2qb0 h HIS 76 CO -0.00 1.11 0.00 0.43 0.86 0.00 0.00 177.93 180.33 2qb0 n SER 77 N -3.19 0.34 -0.13 2.45 7.64 -1.13 -4.91 113.62 114.69 2qb0 n SER 77 Ca -0.15 -0.99 -0.05 0.00 1.01 0.00 0.00 58.87 58.68 2qb0 n SER 77 Cb 1.03 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 64.24 2qb0 n SER 77 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 2qb0 h GLY 78 N 0.00 0.08 1.01 0.23 0.00 -0.47 -0.47 103.07 103.45 2qb0 h GLY 78 Ca 0.00 0.27 0.01 0.00 0.00 0.00 0.00 47.33 47.61 2qb0 h GLY 78 CO 0.00 -0.20 0.53 1.29 0.00 0.00 0.00 176.54 178.16 2qb0 h ASP 79 N -0.13 0.93 -0.20 0.19 3.04 -1.83 -0.83 116.42 117.59 2qb0 h ASP 79 Ca 0.20 -0.03 -0.00 0.00 -3.24 0.00 0.00 57.03 53.97 2qb0 h ASP 79 Cb 0.45 -0.23 -0.01 0.00 -1.04 0.00 0.00 39.33 38.50 2qb0 h ASP 79 CO -0.51 0.67 0.11 -0.08 -2.04 0.00 0.00 179.24 177.40 2qb0 h GLU 80 N 1.10 0.27 -0.58 4.15 4.57 -1.79 -1.87 114.58 120.42 2qb0 h GLU 80 Ca 0.30 -0.03 0.03 0.00 -1.18 0.00 0.00 59.36 58.48 2qb0 h GLU 80 Cb -0.13 -0.05 -0.04 0.00 -0.16 0.00 0.00 28.75 28.37 2qb0 h GLU 80 CO -0.06 0.25 0.34 -0.07 -1.18 0.00 0.00 179.01 178.29 2qb0 h LEU 81 N 0.22 0.55 -0.32 1.64 4.07 -0.79 -0.14 115.31 120.55 2qb0 h LEU 81 Ca 0.07 0.01 -0.01 0.00 0.08 0.00 0.00 57.88 58.03 2qb0 h LEU 81 Cb 0.05 -0.11 -0.01 0.00 1.08 0.00 0.00 40.66 41.67 2qb0 h LEU 81 CO -0.01 0.38 0.17 0.22 -1.08 0.00 0.00 178.44 178.12 2qb0 h TYR 82 N 0.67 0.44 -0.12 1.13 5.03 -1.04 -1.76 116.97 121.32 2qb0 h TYR 82 Ca 0.24 -0.01 -0.09 0.00 2.58 0.00 0.00 58.73 61.45 2qb0 h TYR 82 Cb 0.05 -0.14 -0.01 0.00 1.55 0.00 0.00 36.73 38.18 2qb0 h TYR 82 CO -0.06 0.36 -0.33 0.93 -1.32 0.00 0.00 178.16 177.73 2qb0 h GLU 83 N 0.39 0.23 -0.40 1.82 4.39 -1.08 -1.70 114.58 118.23 2qb0 h GLU 83 Ca 0.11 -0.09 -0.01 0.00 0.34 0.00 0.00 59.36 59.71 2qb0 h GLU 83 Cb 0.07 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.69 2qb0 h GLU 83 CO -0.02 0.54 0.21 1.25 -1.16 0.00 0.00 179.01 179.84 2qb0 h LEU 84 N 0.20 0.51 -0.78 1.33 6.46 -0.78 -1.60 115.31 120.65 2qb0 h LEU 84 Ca 0.03 -0.10 -0.02 0.00 -0.12 0.00 0.00 57.88 57.67 2qb0 h LEU 84 Cb 0.69 -0.13 -0.04 0.00 -0.73 0.00 0.00 40.66 40.45 2qb0 h LEU 84 CO 0.05 0.46 0.41 0.25 -0.62 0.00 0.00 178.44 178.99 2qb0 h LEU 85 N 0.51 1.00 -1.17 2.25 5.85 -0.86 -1.04 115.31 121.86 2qb0 h LEU 85 Ca 0.14 -0.11 -0.05 0.00 0.84 0.00 0.00 57.88 58.69 2qb0 h LEU 85 Cb 0.07 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.83 2qb0 h LEU 85 CO -0.02 0.83 0.01 1.56 -0.34 0.00 0.00 178.44 180.48 2qb0 h GLN 86 N 1.09 0.58 -0.21 1.25 1.08 -0.98 -0.50 115.11 117.42 2qb0 h GLN 86 Ca 0.27 -0.13 -0.17 0.00 -1.45 0.00 0.00 58.65 57.17 2qb0 h GLN 86 Cb 0.07 -0.08 -0.00 0.00 -0.05 0.00 0.00 27.48 27.42 2qb0 h GLN 86 CO -0.04 0.60 -0.56 0.45 -0.95 0.00 0.00 178.83 178.33 2qb0 h HIS 87 N 0.56 0.83 -0.31 2.96 3.86 -0.88 -0.27 115.15 121.90 2qb0 h HIS 87 Ca 0.12 -0.30 -0.02 0.00 -1.16 0.00 0.00 60.37 59.01 2qb0 h HIS 87 Cb 0.34 -0.16 -0.01 0.00 1.06 0.00 0.00 27.41 28.64 2qb0 h HIS 87 CO 0.01 1.07 0.11 0.82 0.86 0.00 0.00 177.93 180.80 2qb0 h ILE 88 N 0.50 1.20 -0.46 2.45 2.04 -0.79 -1.83 117.51 120.61 2qb0 h ILE 88 Ca 0.01 -0.62 -0.05 0.00 1.00 0.00 0.00 64.86 65.20 2qb0 h ILE 88 Cb 1.13 1.02 -0.02 0.00 -0.74 0.00 0.00 36.82 38.21 2qb0 h ILE 88 CO 0.11 0.21 0.09 -0.07 0.00 0.00 0.00 178.15 178.49 2qb0 h LEU 89 N 0.34 0.65 -0.59 1.44 3.38 -1.07 -3.06 115.31 116.41 2qb0 h LEU 89 Ca 0.10 -0.11 -0.10 0.00 0.09 0.00 0.00 57.88 57.85 2qb0 h LEU 89 Cb 0.22 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 2qb0 h LEU 89 CO -0.00 0.67 -0.04 0.50 0.09 0.00 0.00 178.44 179.65 2qb0 h LYS 90 N 0.68 1.07 0.00 1.13 3.11 -0.75 -3.51 116.57 118.29 2qb0 h LYS 90 Ca 0.15 -0.36 0.00 0.00 -2.81 0.00 0.00 60.65 57.63 2qb0 h LYS 90 Cb 0.29 -0.09 0.00 0.00 -1.00 0.00 0.00 32.23 31.43 2qb0 h LYS 90 CO 0.00 1.06 0.00 1.04 -2.81 0.00 0.00 179.45 178.74