#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cqb s SER -5 N 0.00 6.56 -0.49 1.61 0.15 -1.26 -4.91 113.70 115.36 2cqb s SER -5 Ca 0.00 -2.34 -0.02 0.00 0.70 0.00 0.00 55.95 54.29 2cqb s SER -5 Cb 0.00 -2.22 0.26 0.00 -1.71 0.00 0.00 66.02 62.35 2cqb s SER -5 CO 0.00 -0.70 2.18 -1.54 1.20 0.00 0.00 173.24 174.37 2cqb n SER -4 N 4.57 6.91 -2.99 5.45 3.41 -1.26 -4.97 113.62 124.74 2cqb n SER -4 Ca 0.05 -3.36 -0.11 0.00 -0.26 0.00 0.00 58.87 55.19 2cqb n SER -4 Cb 0.45 -1.07 0.10 0.00 -0.26 0.00 0.00 64.21 63.43 2cqb n SER -4 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2cqb n GLY -3 N 0.03 -3.22 3.42 5.00 0.00 -1.26 -5.09 105.19 104.06 2cqb n GLY -3 Ca 0.45 -1.35 -0.13 0.00 0.00 0.00 0.00 46.02 44.98 2cqb n GLY -3 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2cqb s SER -2 N -2.50 -0.51 -0.04 1.61 1.04 -1.26 -5.15 113.70 106.90 2cqb s SER -2 Ca 0.25 0.13 -0.29 0.00 0.48 0.00 0.00 55.95 56.52 2cqb s SER -2 Cb -0.03 0.54 0.11 0.00 0.10 0.00 0.00 66.02 66.74 2cqb s SER -2 CO 0.20 -0.83 0.92 -0.55 0.98 0.00 0.00 173.24 173.97 2cqb s SER -1 N -2.28 -0.35 0.00 7.02 0.15 -1.26 -5.17 113.70 111.81 2cqb s SER -1 Ca -0.03 0.05 0.00 0.00 0.70 0.00 0.00 55.95 56.67 2cqb s SER -1 Cb -0.00 0.36 0.00 0.00 -1.71 0.00 0.00 66.02 64.66 2cqb s SER -1 CO -0.06 -0.56 0.00 0.61 1.20 0.00 0.00 173.24 174.43 2cqb n GLY 0 N -0.12 0.48 3.22 9.45 0.00 -1.26 -5.01 105.19 111.94 2cqb n GLY 0 Ca -0.08 -2.15 -0.38 0.00 0.00 0.00 0.00 46.02 43.41 2cqb n GLY 0 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 2cqb n MET 1 N -0.13 0.05 -4.24 1.61 -0.00 -1.26 -4.99 117.12 108.16 2cqb n MET 1 Ca 0.00 0.02 -0.25 0.00 -0.00 0.00 0.00 57.70 57.48 2cqb n MET 1 Cb 0.00 -1.12 -0.08 0.00 -0.00 0.00 0.00 33.22 32.02 2cqb n MET 1 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2cqb s ALA 2 N -1.98 3.39 -0.23 3.17 0.00 -1.26 -5.15 121.76 119.70 2cqb s ALA 2 Ca 0.54 -2.02 -0.12 0.00 0.00 0.00 0.00 51.96 50.36 2cqb s ALA 2 Cb -0.40 -0.40 0.08 0.00 0.00 0.00 0.00 23.12 22.40 2cqb s ALA 2 CO 0.69 -0.04 0.54 0.99 0.00 0.00 0.00 175.76 177.95 2cqb s THR 3 N -2.55 -0.16 -0.49 0.00 2.01 -1.26 -4.96 115.64 108.24 2cqb s THR 3 Ca 0.38 0.06 -0.01 0.00 0.31 0.00 0.00 61.69 62.42 2cqb s THR 3 Cb 0.02 -0.80 -0.01 0.00 0.01 0.00 0.00 72.50 71.71 2cqb s THR 3 CO 0.21 0.02 0.42 0.41 -0.69 0.00 0.00 174.62 174.99 2cqb n THR 4 N 4.49 -3.25 -0.67 -0.82 -1.04 -1.26 -4.90 114.28 106.84 2cqb n THR 4 Ca -0.20 -0.34 -0.05 0.00 -2.04 0.00 0.00 64.05 61.42 2cqb n THR 4 Cb 0.56 -3.90 -0.03 0.00 -1.82 0.00 0.00 70.33 65.14 2cqb n THR 4 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 2cqb n LYS 5 N -2.31 1.32 -0.04 -2.82 5.02 -1.26 -3.75 118.16 114.32 2cqb n LYS 5 Ca -0.09 -0.43 -0.08 0.00 -2.02 0.00 0.00 58.31 55.68 2cqb n LYS 5 Cb 0.57 -1.28 -0.03 0.00 -0.02 0.00 0.00 35.03 34.26 2cqb n LYS 5 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2cqb n ARG 6 N 1.52 0.20 -2.58 1.97 1.74 -1.26 -4.55 116.66 113.70 2cqb n ARG 6 Ca 0.13 0.07 -0.43 0.00 -0.77 0.00 0.00 57.85 56.85 2cqb n ARG 6 Cb 0.59 -0.95 -0.02 0.00 -1.02 0.00 0.00 32.46 31.05 2cqb n ARG 6 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2cqb s VAL 7 N -2.17 4.52 0.06 1.55 1.01 -1.25 -3.29 120.40 120.85 2cqb s VAL 7 Ca -0.12 1.83 -0.07 0.00 0.00 0.00 0.00 61.98 63.62 2cqb s VAL 7 Cb 0.04 -4.22 -0.05 0.00 0.00 0.00 0.00 36.38 32.15 2cqb s VAL 7 CO 0.17 -0.20 0.34 -0.76 0.00 0.00 0.00 175.10 174.65 2cqb s LEU 8 N 3.37 4.34 -0.22 3.92 1.43 0.79 -2.78 118.68 129.53 2cqb s LEU 8 Ca 0.48 0.64 -0.04 0.00 -1.03 0.00 0.00 54.13 54.18 2cqb s LEU 8 Cb -0.17 -2.93 -0.01 0.00 0.03 0.00 0.00 46.19 43.11 2cqb s LEU 8 CO 0.10 0.18 -0.03 -0.47 0.23 0.00 0.00 176.35 176.36 2cqb s TYR 9 N -1.42 2.98 -0.05 0.29 6.14 0.12 -1.11 117.35 124.30 2cqb s TYR 9 Ca 0.33 -0.84 0.00 0.00 0.64 0.00 0.00 57.07 57.20 2cqb s TYR 9 Cb -0.13 -2.12 -0.03 0.00 0.42 0.00 0.00 41.96 40.09 2cqb s TYR 9 CO 0.19 -0.51 -0.03 0.08 0.64 0.00 0.00 175.55 175.92 2cqb s VAL 10 N 1.47 4.00 0.28 3.14 1.01 -0.52 -1.36 120.40 128.43 2cqb s VAL 10 Ca 0.06 -0.46 0.03 0.00 0.00 0.00 0.00 61.98 61.60 2cqb s VAL 10 Cb -0.14 -2.69 -0.04 0.00 0.00 0.00 0.00 36.38 33.50 2cqb s VAL 10 CO -0.02 0.53 0.16 -0.83 0.00 0.00 0.00 175.10 174.94 2cqb s GLY 11 N -1.06 1.94 -1.32 4.51 0.00 0.15 -1.78 107.32 109.76 2cqb s GLY 11 Ca 0.15 -1.79 -0.07 0.00 0.00 0.00 0.00 44.72 43.01 2cqb s GLY 11 CO 0.04 -1.55 0.91 0.61 0.00 0.00 0.00 173.10 173.11 2cqb n GLY 12 N -0.52 -0.43 2.23 0.20 0.00 -0.15 -1.96 105.19 104.56 2cqb n GLY 12 Ca 0.02 0.14 -0.16 0.00 0.00 0.00 0.00 46.02 46.02 2cqb n GLY 12 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2cqb n LEU 13 N -4.34 0.00 -4.92 0.99 4.77 -0.85 -4.46 117.00 108.20 2cqb n LEU 13 Ca -0.03 -0.93 -0.22 0.00 -0.03 0.00 0.00 56.01 54.80 2cqb n LEU 13 Cb 0.58 -0.54 -0.01 0.00 -2.33 0.00 0.00 43.42 41.12 2cqb n LEU 13 CO 0.54 -0.99 0.08 0.00 -1.33 0.00 0.00 177.39 175.69 2cqb s ALA 14 N -3.76 4.30 -0.92 -1.18 0.00 -1.26 -4.78 121.76 114.16 2cqb s ALA 14 Ca 0.42 -1.75 0.27 0.00 0.00 0.00 0.00 51.96 50.90 2cqb s ALA 14 Cb -0.01 -1.04 1.07 0.00 0.00 0.00 0.00 23.12 23.13 2cqb s ALA 14 CO 0.29 -0.39 1.84 -0.85 0.00 0.00 0.00 175.76 176.66 2cqb n GLU 15 N -1.74 0.07 -0.62 0.00 0.28 -1.26 -3.02 120.64 114.36 2cqb n GLU 15 Ca 0.04 0.09 0.03 0.00 -0.16 0.00 0.00 57.16 57.17 2cqb n GLU 15 Cb 0.62 -1.59 0.26 0.00 1.43 0.00 0.00 31.44 32.16 2cqb n GLU 15 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 2cqb n GLU 16 N -1.72 2.83 -4.99 3.44 4.71 -1.26 -4.96 120.64 118.70 2cqb n GLU 16 Ca 0.06 -2.96 -0.32 0.00 -0.01 0.00 0.00 57.16 53.92 2cqb n GLU 16 Cb 0.34 -1.90 -0.15 0.00 -1.01 0.00 0.00 31.44 28.72 2cqb n GLU 16 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 2cqb s VAL 17 N -2.95 2.61 0.32 2.62 1.01 -1.17 -4.92 120.40 117.92 2cqb s VAL 17 Ca 0.45 -0.83 0.01 0.00 0.00 0.00 0.00 61.98 61.61 2cqb s VAL 17 Cb 0.37 -2.05 -0.01 0.00 0.00 0.00 0.00 36.38 34.69 2cqb s VAL 17 CO 0.08 0.55 0.37 -1.81 0.00 0.00 0.00 175.10 174.28 2cqb s ASP 18 N 0.24 1.11 0.51 3.32 1.01 -1.26 -4.84 116.67 116.75 2cqb s ASP 18 Ca -0.12 -1.56 0.40 0.00 0.71 0.00 0.00 52.55 51.97 2cqb s ASP 18 Cb -0.16 0.60 1.58 0.00 1.01 0.00 0.00 42.92 45.94 2cqb s ASP 18 CO 0.06 -1.17 1.63 -2.24 0.21 0.00 0.00 175.17 173.67 2cqb h ASP 19 N 2.17 0.10 0.47 0.27 3.04 -1.98 0.68 116.42 121.17 2cqb h ASP 19 Ca -0.28 0.06 -0.02 0.00 -3.24 0.00 0.00 57.03 53.55 2cqb h ASP 19 Cb 1.24 0.05 0.00 0.00 -1.04 0.00 0.00 39.33 39.58 2cqb h ASP 19 CO 0.39 -0.07 -0.23 0.11 -2.04 0.00 0.00 179.24 177.40 2cqb h LYS 20 N 0.04 -0.61 -0.62 4.15 1.57 -1.98 0.82 116.57 119.93 2cqb h LYS 20 Ca 0.83 0.04 0.12 0.00 -1.87 0.00 0.00 60.65 59.77 2cqb h LYS 20 Cb 3.03 0.14 -0.09 0.00 0.08 0.00 0.00 32.23 35.38 2cqb h LYS 20 CO -0.18 -0.41 0.12 0.28 -0.57 0.00 0.00 179.45 178.70 2cqb h VAL 21 N -1.02 0.61 -0.51 0.50 2.07 -1.30 -0.49 116.25 116.11 2cqb h VAL 21 Ca -0.06 -0.09 -0.10 0.00 0.82 0.00 0.00 66.70 67.27 2cqb h VAL 21 Cb 0.48 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 30.57 2cqb h VAL 21 CO 0.11 0.05 -0.08 -0.07 0.02 0.00 0.00 177.57 177.59 2cqb h LEU 22 N 0.25 0.91 0.24 2.57 3.38 -1.19 -1.96 115.31 119.50 2cqb h LEU 22 Ca 0.33 -0.27 0.01 0.00 0.09 0.00 0.00 57.88 58.04 2cqb h LEU 22 Cb 0.51 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 2cqb h LEU 22 CO -0.43 1.01 -0.38 -0.74 0.09 0.00 0.00 178.44 177.99 2cqb h HIS 23 N 0.83 -1.05 0.00 1.13 2.76 0.78 0.56 115.15 120.16 2cqb h HIS 23 Ca 0.14 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.33 2cqb h HIS 23 Cb 0.60 0.43 0.00 0.00 1.55 0.00 0.00 27.41 29.99 2cqb h HIS 23 CO 0.04 -0.51 0.00 0.00 -1.30 0.00 0.00 177.93 176.16 2cqb h ALA 24 N -0.21 1.00 0.00 5.26 0.00 -1.35 0.58 119.26 124.55 2cqb h ALA 24 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 54.91 54.67 2cqb h ALA 24 Cb 0.67 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.42 2cqb h ALA 24 CO -0.15 0.00 -1.38 0.00 0.00 0.00 0.00 179.25 177.72 2cqb h ALA 25 N 2.17 0.63 -0.07 0.00 0.00 -0.34 -3.35 119.26 118.31 2cqb h ALA 25 Ca 0.00 -1.15 0.00 0.00 0.00 0.00 0.00 54.91 53.76 2cqb h ALA 25 Cb 0.35 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2cqb h ALA 25 CO 0.00 1.33 0.00 1.19 0.00 0.00 0.00 179.25 181.77 2cqb n PHE 26 N -3.12 0.08 0.15 0.00 3.01 0.18 -4.53 117.46 113.23 2cqb n PHE 26 Ca -0.10 -0.07 0.06 0.00 1.01 0.00 0.00 57.45 58.35 2cqb n PHE 26 Cb 0.97 -0.00 0.55 0.00 -0.01 0.00 0.00 39.48 40.98 2cqb n PHE 26 CO 0.00 0.00 0.00 0.97 1.01 0.00 0.00 176.76 178.74 2cqb h ILE 27 N 2.35 1.05 -0.17 4.37 6.09 0.03 -2.74 117.51 128.48 2cqb h ILE 27 Ca 0.00 -0.09 0.01 0.00 -1.37 0.00 0.00 64.86 63.42 2cqb h ILE 27 Cb 0.54 0.79 -0.02 0.00 0.47 0.00 0.00 36.82 38.61 2cqb h ILE 27 CO 0.00 0.04 0.06 -0.65 -3.07 0.00 0.00 178.15 174.53 2cqb h PRO 28 N 0.23 0.14 -0.04 2.19 0.11 -1.81 -3.15 132.00 129.68 2cqb h PRO 28 Ca 0.06 -0.01 0.02 0.00 0.11 0.00 0.00 66.00 66.19 2cqb h PRO 28 Cb -0.02 -0.03 -0.05 0.00 0.11 0.00 0.00 31.00 31.00 2cqb h PRO 28 CO -0.01 0.09 -0.51 0.74 -0.21 0.00 0.00 178.00 178.10 2cqb h PHE 29 N 0.14 -1.51 0.00 0.65 0.04 -1.81 -3.47 116.94 110.98 2cqb h PHE 29 Ca 0.07 0.05 0.00 0.00 2.80 0.00 0.00 57.97 60.89 2cqb h PHE 29 Cb 0.04 0.66 0.00 0.00 2.20 0.00 0.00 35.95 38.85 2cqb h PHE 29 CO -0.11 -0.54 0.00 0.41 -0.60 0.00 0.00 178.31 177.47 2cqb n GLY 30 N -1.43 4.35 3.01 -1.45 0.00 -1.19 -4.98 105.19 103.50 2cqb n GLY 30 Ca -0.07 -0.58 -0.32 0.00 0.00 0.00 0.00 46.02 45.05 2cqb n GLY 30 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2cqb s ASP 31 N 1.61 5.16 -0.39 1.61 1.01 -1.26 -4.61 116.67 119.79 2cqb s ASP 31 Ca 0.00 -3.46 -0.42 0.00 0.71 0.00 0.00 52.55 49.38 2cqb s ASP 31 Cb 0.00 -1.76 -0.17 0.00 1.01 0.00 0.00 42.92 42.00 2cqb s ASP 31 CO 0.00 -0.20 1.90 -0.38 0.21 0.00 0.00 175.17 176.70 2cqb n ILE 32 N 2.59 0.15 0.01 0.77 5.41 -1.26 -3.78 119.36 123.24 2cqb n ILE 32 Ca 0.15 -0.07 -0.18 0.00 1.00 0.00 0.00 62.75 63.65 2cqb n ILE 32 Cb 0.36 -0.98 -0.10 0.00 -0.71 0.00 0.00 39.64 38.20 2cqb n ILE 32 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 176.55 177.26 2cqb h THR 33 N 5.98 1.37 -2.24 1.39 1.35 -1.86 -3.48 112.91 115.41 2cqb h THR 33 Ca -0.33 -2.10 0.02 0.00 -0.55 0.00 0.00 66.41 63.44 2cqb h THR 33 Cb 1.35 2.46 -0.17 0.00 -1.73 0.00 0.00 68.15 70.07 2cqb h THR 33 CO 1.01 0.63 0.33 -1.81 -0.25 0.00 0.00 175.52 175.43 2cqb s ASP 34 N -6.92 -0.51 0.09 5.36 1.01 -1.26 -5.07 116.67 109.37 2cqb s ASP 34 Ca -0.12 0.31 0.08 0.00 0.71 0.00 0.00 52.55 53.53 2cqb s ASP 34 Cb 0.05 0.47 -0.03 0.00 1.01 0.00 0.00 42.92 44.42 2cqb s ASP 34 CO 0.86 -0.65 -0.20 -0.63 0.21 0.00 0.00 175.17 174.75 2cqb s ILE 35 N -2.26 1.62 -0.11 0.77 1.01 -1.26 -1.58 121.20 119.39 2cqb s ILE 35 Ca -0.03 -1.48 0.04 0.00 0.00 0.00 0.00 60.65 59.18 2cqb s ILE 35 Cb -0.01 -1.48 0.00 0.00 0.01 0.00 0.00 42.46 40.99 2cqb s ILE 35 CO -0.02 -0.06 -0.23 -1.10 0.00 0.00 0.00 174.94 173.53 2cqb s GLN 36 N -1.83 2.98 -0.27 2.79 1.11 0.31 -5.02 119.66 119.73 2cqb s GLN 36 Ca 0.05 -0.85 -0.00 0.00 0.01 0.00 0.00 55.36 54.57 2cqb s GLN 36 Cb -0.10 -2.29 0.08 0.00 -1.01 0.00 0.00 33.01 29.70 2cqb s GLN 36 CO 0.04 0.13 0.04 0.42 0.01 0.00 0.00 175.29 175.93 2cqb s ILE 37 N 0.47 1.12 -0.00 1.08 -1.09 -1.26 -1.63 121.20 119.88 2cqb s ILE 37 Ca -0.16 -1.30 -0.30 0.00 -2.23 0.00 0.00 60.65 56.66 2cqb s ILE 37 Cb -0.17 -1.69 -0.06 0.00 -1.58 0.00 0.00 42.46 38.96 2cqb s ILE 37 CO 0.06 -0.44 1.45 -2.16 -1.23 0.00 0.00 174.94 172.63 2cqb s PRO 38 N 1.53 4.26 0.08 2.79 0.04 -1.26 -5.02 135.00 137.42 2cqb s PRO 38 Ca 0.04 2.02 0.02 0.00 0.04 0.00 0.00 61.00 63.12 2cqb s PRO 38 Cb -0.18 -3.63 -0.03 0.00 0.04 0.00 0.00 34.50 30.70 2cqb s PRO 38 CO -0.15 -0.63 -0.08 -0.51 0.04 0.00 0.00 177.00 175.67 2cqb s LEU 39 N 2.64 2.39 0.00 -3.56 1.43 -1.26 -4.24 118.68 116.08 2cqb s LEU 39 Ca 0.66 -0.79 -0.09 0.00 -1.03 0.00 0.00 54.13 52.87 2cqb s LEU 39 Cb -0.32 -0.16 0.12 0.00 0.03 0.00 0.00 46.19 45.86 2cqb s LEU 39 CO 0.27 -0.32 0.72 -0.67 0.23 0.00 0.00 176.35 176.58 2cqb n ASP 40 N 0.65 0.01 -0.01 2.29 2.03 -1.24 -4.83 116.55 115.45 2cqb n ASP 40 Ca -0.17 -1.25 0.05 0.00 0.52 0.00 0.00 54.79 53.95 2cqb n ASP 40 Cb 0.58 -0.55 -0.10 0.00 -0.72 0.00 0.00 41.12 40.33 2cqb n ASP 40 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2cqb n TYR 41 N -3.02 0.00 -0.05 -0.67 0.18 -1.26 -2.94 117.16 109.40 2cqb n TYR 41 Ca 0.09 0.00 -0.00 0.00 1.88 0.00 0.00 57.90 59.87 2cqb n TYR 41 Cb 0.31 -0.31 -0.13 0.00 -0.38 0.00 0.00 39.34 38.83 2cqb n TYR 41 CO 0.00 0.00 0.00 -0.85 -2.08 0.00 0.00 176.86 173.93 2cqb n GLU 42 N -1.98 1.00 0.00 -3.48 0.28 -1.26 -4.65 120.64 110.55 2cqb n GLU 42 Ca -0.04 -0.08 0.00 0.00 -0.16 0.00 0.00 57.16 56.89 2cqb n GLU 42 Cb 0.38 -1.41 0.00 0.00 1.43 0.00 0.00 31.44 31.84 2cqb n GLU 42 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 2cqb n THR 43 N -2.37 0.00 -4.46 3.84 -2.24 -1.26 -5.02 114.28 102.77 2cqb n THR 43 Ca -0.16 -0.11 -0.40 0.00 -2.27 0.00 0.00 64.05 61.12 2cqb n THR 43 Cb 0.76 0.55 -0.08 0.00 -2.10 0.00 0.00 70.33 69.46 2cqb n THR 43 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 2cqb n GLU 44 N -1.03 -0.76 -4.12 -0.78 0.28 -1.15 -4.80 120.64 108.29 2cqb n GLU 44 Ca 0.00 0.13 -0.28 0.00 -0.16 0.00 0.00 57.16 56.85 2cqb n GLU 44 Cb 0.00 -4.42 -0.07 0.00 1.43 0.00 0.00 31.44 28.38 2cqb n GLU 44 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 2cqb s LYS 45 N -7.18 2.69 -0.00 3.44 1.02 -1.26 -4.50 119.74 113.94 2cqb s LYS 45 Ca 0.66 -0.89 -0.00 0.00 0.02 0.00 0.00 55.97 55.76 2cqb s LYS 45 Cb -0.39 -2.56 -0.04 0.00 -0.52 0.00 0.00 37.83 34.32 2cqb s LYS 45 CO 1.01 0.50 0.08 -3.38 -0.92 0.00 0.00 175.35 172.64 2cqb s HIS 46 N -1.58 3.27 -0.13 3.18 -3.43 -1.26 -3.71 115.29 111.63 2cqb s HIS 46 Ca 0.29 0.19 -0.05 0.00 -0.80 0.00 0.00 55.06 54.68 2cqb s HIS 46 Cb -0.11 -1.73 -0.18 0.00 -1.43 0.00 0.00 32.58 29.14 2cqb s HIS 46 CO 0.21 0.54 3.39 -2.13 -2.00 0.00 0.00 174.74 174.75 2cqb n ARG 47 N 1.16 2.12 -3.82 -0.38 0.63 -1.26 -4.71 116.66 110.40 2cqb n ARG 47 Ca -0.13 -1.38 -0.26 0.00 -0.92 0.00 0.00 57.85 55.16 2cqb n ARG 47 Cb 0.53 -2.04 0.01 0.00 0.45 0.00 0.00 32.46 31.40 2cqb n ARG 47 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2cqb n GLY 48 N 2.06 -0.46 3.68 5.14 0.00 -1.26 -4.73 105.19 109.63 2cqb n GLY 48 Ca 0.45 0.23 -0.06 0.00 0.00 0.00 0.00 46.02 46.65 2cqb n GLY 48 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2cqb s PHE 49 N -3.76 -0.21 0.04 1.61 -0.71 -1.26 -0.98 117.98 112.71 2cqb s PHE 49 Ca 0.14 -0.06 -0.27 0.00 -1.04 0.00 0.00 56.93 55.70 2cqb s PHE 49 Cb -0.05 0.62 0.10 0.00 -1.21 0.00 0.00 43.02 42.47 2cqb s PHE 49 CO 0.86 -0.80 1.21 0.00 -1.34 0.00 0.00 175.22 175.15 2cqb s ALA 50 N -3.34 -2.16 -0.10 1.99 0.00 -0.73 -4.75 121.76 112.67 2cqb s ALA 50 Ca 0.10 0.15 0.02 0.00 0.00 0.00 0.00 51.96 52.22 2cqb s ALA 50 Cb -0.02 0.70 0.01 0.00 0.00 0.00 0.00 23.12 23.81 2cqb s ALA 50 CO -0.01 -1.10 -0.15 -0.06 0.00 0.00 0.00 175.76 174.44 2cqb s PHE 51 N -2.25 1.89 -0.10 0.00 0.40 -0.64 -1.43 117.98 115.84 2cqb s PHE 51 Ca 0.22 -0.84 0.01 0.00 -0.60 0.00 0.00 56.93 55.72 2cqb s PHE 51 Cb 0.01 -1.36 -0.02 0.00 0.51 0.00 0.00 43.02 42.15 2cqb s PHE 51 CO -0.00 -0.42 -0.11 0.08 0.70 0.00 0.00 175.22 175.46 2cqb s VAL 52 N 0.87 3.28 -0.07 -0.44 1.01 -0.27 -0.53 120.40 124.26 2cqb s VAL 52 Ca -0.09 -0.61 -0.08 0.00 0.00 0.00 0.00 61.98 61.20 2cqb s VAL 52 Cb -0.15 -2.35 -0.04 0.00 0.00 0.00 0.00 36.38 33.83 2cqb s VAL 52 CO 0.00 0.55 0.21 -0.70 0.00 0.00 0.00 175.10 175.17 2cqb s GLU 53 N -0.18 3.55 -0.03 2.72 2.56 -0.61 -0.15 118.70 126.56 2cqb s GLU 53 Ca 0.01 -0.04 0.04 0.00 0.00 0.00 0.00 54.97 54.98 2cqb s GLU 53 Cb -0.13 -3.17 -0.03 0.00 2.00 0.00 0.00 34.13 32.80 2cqb s GLU 53 CO 0.03 0.73 -0.14 -0.06 -0.56 0.00 0.00 175.26 175.26 2cqb s PHE 54 N -1.11 2.70 0.57 5.30 0.40 -1.21 -3.13 117.98 121.50 2cqb s PHE 54 Ca 0.20 -0.16 0.26 0.00 -0.60 0.00 0.00 56.93 56.62 2cqb s PHE 54 Cb -0.13 -1.60 1.57 0.00 0.51 0.00 0.00 43.02 43.37 2cqb s PHE 54 CO 0.09 0.22 2.13 1.49 0.70 0.00 0.00 175.22 179.85 2cqb h GLU 55 N 5.09 0.00 -4.85 0.44 4.57 -1.94 -3.43 114.58 114.46 2cqb h GLU 55 Ca -0.47 0.00 -0.30 0.00 -1.18 0.00 0.00 59.36 57.41 2cqb h GLU 55 Cb 1.15 0.00 -0.15 0.00 -0.16 0.00 0.00 28.75 29.60 2cqb h GLU 55 CO 0.50 0.00 -0.67 -0.51 -1.18 0.00 0.00 179.01 177.15 2cqb s LEU 56 N -8.11 2.23 0.01 1.64 1.43 -1.26 -5.07 118.68 109.56 2cqb s LEU 56 Ca -0.05 -1.13 -0.16 0.00 -1.03 0.00 0.00 54.13 51.75 2cqb s LEU 56 Cb 0.16 -0.13 -0.35 0.00 0.03 0.00 0.00 46.19 45.91 2cqb s LEU 56 CO 0.60 -0.51 0.96 0.00 0.23 0.00 0.00 176.35 177.62 2cqb h ALA 57 N 2.71 -0.13 -0.13 4.21 0.00 -1.83 -3.20 119.26 120.89 2cqb h ALA 57 Ca -0.37 -0.86 0.01 0.00 0.00 0.00 0.00 54.91 53.69 2cqb h ALA 57 Cb 1.20 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 19.17 2cqb h ALA 57 CO 0.63 0.68 0.04 1.05 0.00 0.00 0.00 179.25 181.65 2cqb h GLU 58 N 0.08 0.10 -0.74 0.00 4.11 -1.98 -1.96 114.58 114.20 2cqb h GLU 58 Ca -0.25 -0.01 0.05 0.00 0.07 0.00 0.00 59.36 59.22 2cqb h GLU 58 Cb 2.10 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 31.29 2cqb h GLU 58 CO 0.25 0.07 0.48 -0.44 0.07 0.00 0.00 179.01 179.45 2cqb h ASP 59 N 0.10 0.71 0.22 3.06 3.32 -1.94 -1.98 116.42 119.91 2cqb h ASP 59 Ca 0.06 -0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.09 2cqb h ASP 59 Cb 0.03 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.43 2cqb h ASP 59 CO -0.06 0.47 -0.10 0.00 -1.72 0.00 0.00 179.24 177.83 2cqb h ALA 60 N 1.59 -0.29 -0.68 3.45 0.00 -1.39 -1.67 119.26 120.27 2cqb h ALA 60 Ca 0.31 -0.12 0.07 0.00 0.00 0.00 0.00 54.91 55.18 2cqb h ALA 60 Cb 0.18 0.11 -0.06 0.00 0.00 0.00 0.00 17.79 18.02 2cqb h ALA 60 CO -0.10 -0.59 0.35 0.00 0.00 0.00 0.00 179.25 178.91 2cqb h ALA 61 N 0.32 0.92 -0.73 0.00 0.00 -0.99 -1.36 119.26 117.41 2cqb h ALA 61 Ca -0.03 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 2cqb h ALA 61 Cb 0.33 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 2cqb h ALA 61 CO 0.05 -0.01 0.39 0.00 0.00 0.00 0.00 179.25 179.68 2cqb h ALA 62 N 1.38 1.31 -0.53 0.00 0.00 -1.26 -1.88 119.26 118.28 2cqb h ALA 62 Ca 0.32 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 2cqb h ALA 62 Cb 0.27 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 2cqb h ALA 62 CO -0.22 0.55 0.25 0.00 0.00 0.00 0.00 179.25 179.83 2cqb h ALA 63 N 1.41 0.69 0.37 0.00 0.00 -0.29 -2.97 119.26 118.47 2cqb h ALA 63 Ca 0.26 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 2cqb h ALA 63 Cb 0.04 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.62 2cqb h ALA 63 CO -0.04 0.25 -0.18 0.82 0.00 0.00 0.00 179.25 180.10 2cqb h ILE 64 N 0.71 0.00 -1.32 0.00 2.04 -1.02 0.47 117.51 118.39 2cqb h ILE 64 Ca 0.18 -0.13 0.38 0.00 1.00 0.00 0.00 64.86 66.30 2cqb h ILE 64 Cb 0.13 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 36.15 2cqb h ILE 64 CO -0.02 0.00 1.19 -0.67 0.00 0.00 0.00 178.15 178.64 2cqb n ASP 65 N -3.69 0.00 0.00 1.72 2.03 -0.74 -0.15 116.55 115.72 2cqb n ASP 65 Ca -0.06 0.78 0.00 0.00 0.52 0.00 0.00 54.79 56.03 2cqb n ASP 65 Cb 0.20 -0.33 0.00 0.00 -0.72 0.00 0.00 41.12 40.27 2cqb n ASP 65 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 2cqb n ASN 66 N -3.35 0.00 -0.53 1.67 5.03 -1.11 -4.43 115.26 112.53 2cqb n ASN 66 Ca 0.30 0.06 0.41 0.00 0.87 0.00 0.00 54.58 56.22 2cqb n ASN 66 Cb 1.58 -0.29 0.65 0.00 -1.02 0.00 0.00 39.78 40.70 2cqb n ASN 66 CO 0.00 0.00 0.00 0.23 -1.83 0.00 0.00 177.26 175.66 2cqb n MET 67 N -1.94 -0.01 -1.62 3.52 2.81 0.16 -4.48 117.12 115.56 2cqb n MET 67 Ca 0.00 0.96 -0.64 0.00 -1.81 0.00 0.00 57.70 56.21 2cqb n MET 67 Cb 0.00 -2.09 -0.10 0.00 -0.71 0.00 0.00 33.22 30.32 2cqb n MET 67 CO 0.00 0.00 0.00 0.27 1.51 0.00 0.00 175.97 177.75 2cqb n ASN 68 N -3.87 1.32 -3.53 7.83 6.94 0.79 0.14 115.26 124.89 2cqb n ASN 68 Ca 0.36 1.03 -0.25 0.00 -0.02 0.00 0.00 54.58 55.70 2cqb n ASN 68 Cb 1.57 -0.94 0.05 0.00 -2.36 0.00 0.00 39.78 38.10 2cqb n ASN 68 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 2cqb n GLU 69 N 5.17 -6.34 -1.75 -3.83 1.02 -0.61 -4.96 120.64 109.33 2cqb n GLU 69 Ca 0.36 0.77 -0.27 0.00 -0.02 0.00 0.00 57.16 58.00 2cqb n GLU 69 Cb -0.02 -5.72 0.19 0.00 -0.02 0.00 0.00 31.44 25.87 2cqb n GLU 69 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 2cqb n SER 70 N -2.81 0.12 -4.12 1.62 3.41 0.37 -4.74 113.62 107.48 2cqb n SER 70 Ca -0.01 -1.46 -0.34 0.00 -0.26 0.00 0.00 58.87 56.81 2cqb n SER 70 Cb 0.56 -0.92 -0.14 0.00 -0.26 0.00 0.00 64.21 63.45 2cqb n SER 70 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 2cqb s GLU 71 N -5.63 2.25 -0.05 4.33 2.12 -1.26 -2.33 118.70 118.12 2cqb s GLU 71 Ca 0.69 -1.39 0.03 0.00 0.36 0.00 0.00 54.97 54.66 2cqb s GLU 71 Cb -0.02 -3.11 0.01 0.00 0.26 0.00 0.00 34.13 31.27 2cqb s GLU 71 CO 0.48 -0.66 -0.13 -1.17 -0.54 0.00 0.00 175.26 173.23 2cqb s LEU 72 N 1.16 1.76 -1.93 2.70 2.96 0.12 -4.73 118.68 120.72 2cqb s LEU 72 Ca -0.04 -0.30 0.00 0.00 -0.22 0.00 0.00 54.13 53.57 2cqb s LEU 72 Cb -0.20 -0.83 0.00 0.00 0.50 0.00 0.00 46.19 45.66 2cqb s LEU 72 CO -0.03 0.08 0.00 0.49 -1.32 0.00 0.00 176.35 175.56 2cqb n PHE 73 N 3.52 -0.66 -1.41 5.38 3.01 -1.26 -1.05 117.46 124.98 2cqb n PHE 73 Ca -0.21 0.00 -0.04 0.00 1.01 0.00 0.00 57.45 58.21 2cqb n PHE 73 Cb 0.53 -3.79 -0.01 0.00 -0.01 0.00 0.00 39.48 36.19 2cqb n PHE 73 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2cqb n GLY 74 N -0.79 0.55 3.19 1.37 0.00 -1.26 -5.03 105.19 103.21 2cqb n GLY 74 Ca -0.23 -0.83 -0.09 0.00 0.00 0.00 0.00 46.02 44.87 2cqb n GLY 74 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2cqb s ARG 75 N -2.92 0.91 0.05 1.61 1.70 -0.21 -5.14 118.95 114.94 2cqb s ARG 75 Ca 0.00 -1.28 -0.17 0.00 -0.47 0.00 0.00 55.73 53.81 2cqb s ARG 75 Cb 0.00 0.28 -0.06 0.00 -0.57 0.00 0.00 34.95 34.60 2cqb s ARG 75 CO 0.00 -0.27 0.50 0.99 -1.08 0.00 0.00 175.30 175.44 2cqb s THR 76 N -3.98 4.87 0.17 4.99 2.01 -1.26 0.14 115.64 122.58 2cqb s THR 76 Ca 0.17 1.04 0.08 0.00 0.31 0.00 0.00 61.69 63.28 2cqb s THR 76 Cb 0.06 -3.81 -0.04 0.00 0.01 0.00 0.00 72.50 68.72 2cqb s THR 76 CO -0.02 0.55 -0.16 0.27 -0.69 0.00 0.00 174.62 174.57 2cqb s ILE 77 N -1.12 1.69 -0.10 1.82 -4.36 -0.98 -4.80 121.20 113.35 2cqb s ILE 77 Ca 0.27 -1.99 0.00 0.00 -0.26 0.00 0.00 60.65 58.67 2cqb s ILE 77 Cb -0.18 -1.86 -0.02 0.00 1.25 0.00 0.00 42.46 41.64 2cqb s ILE 77 CO 0.17 -0.44 -0.10 -0.13 0.24 0.00 0.00 174.94 174.68 2cqb s ARG 78 N -3.10 3.08 0.02 0.37 0.52 -0.83 -1.58 118.95 117.44 2cqb s ARG 78 Ca 0.17 -0.61 0.05 0.00 -0.52 0.00 0.00 55.73 54.82 2cqb s ARG 78 Cb -0.04 -2.63 -0.02 0.00 0.52 0.00 0.00 34.95 32.79 2cqb s ARG 78 CO 0.06 0.43 -0.16 0.08 0.02 0.00 0.00 175.30 175.74 2cqb s VAL 79 N -0.20 1.24 0.04 3.52 1.01 -1.26 0.30 120.40 125.05 2cqb s VAL 79 Ca 0.02 -0.91 -0.28 0.00 0.00 0.00 0.00 61.98 60.81 2cqb s VAL 79 Cb -0.13 -1.08 0.10 0.00 0.00 0.00 0.00 36.38 35.26 2cqb s VAL 79 CO 0.03 0.16 1.11 0.21 0.00 0.00 0.00 175.10 176.61 2cqb s ASN 80 N -0.86 -0.14 0.36 3.32 3.84 -0.46 -4.73 114.94 116.26 2cqb s ASN 80 Ca 0.04 -0.22 -0.28 0.00 0.21 0.00 0.00 52.86 52.61 2cqb s ASN 80 Cb -0.07 0.32 -0.11 0.00 -0.55 0.00 0.00 41.25 40.84 2cqb s ASN 80 CO 0.01 -0.57 1.43 -0.76 -2.79 0.00 0.00 177.10 174.42 2cqb s LEU 81 N -2.84 4.35 0.22 3.21 1.43 -1.26 0.16 118.68 123.95 2cqb s LEU 81 Ca 0.12 2.93 -0.32 0.00 -1.03 0.00 0.00 54.13 55.83 2cqb s LEU 81 Cb 0.01 -3.66 -0.14 0.00 0.03 0.00 0.00 46.19 42.43 2cqb s LEU 81 CO -0.02 -0.77 1.31 0.00 0.23 0.00 0.00 176.35 177.10 2cqb n ALA 82 N 0.69 0.40 -1.12 4.21 0.00 -1.12 -4.71 120.51 118.86 2cqb n ALA 82 Ca 0.01 0.43 -0.36 0.00 0.00 0.00 0.00 53.44 53.52 2cqb n ALA 82 Cb 0.40 -2.18 0.05 0.00 0.00 0.00 0.00 19.45 17.72 2cqb n ALA 82 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2cqb n LYS 83 N 1.88 0.06 0.00 0.00 5.02 -1.26 -4.79 118.16 119.06 2cqb n LYS 83 Ca 0.13 0.04 0.07 0.00 -2.02 0.00 0.00 58.31 56.53 2cqb n LYS 83 Cb 0.29 -1.35 0.40 0.00 -0.02 0.00 0.00 35.03 34.35 2cqb n LYS 83 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 2cqb n PRO 84 N 0.77 0.30 -0.91 1.97 -0.04 -1.26 -4.86 135.00 130.98 2cqb n PRO 84 Ca 0.05 0.10 -0.35 0.00 -0.04 0.00 0.00 63.50 63.26 2cqb n PRO 84 Cb 0.52 -1.50 0.07 0.00 -0.04 0.00 0.00 33.50 32.55 2cqb n PRO 84 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2cqb n MET 85 N -1.19 -0.17 -4.14 0.54 0.00 -1.26 -5.01 117.12 105.88 2cqb n MET 85 Ca 0.09 -0.03 -0.14 0.00 0.00 0.00 0.00 57.70 57.62 2cqb n MET 85 Cb 0.10 -1.34 -0.11 0.00 0.00 0.00 0.00 33.22 31.86 2cqb n MET 85 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 175.97 176.47 2cqb s ARG 86 N -2.66 0.75 -0.20 3.17 6.06 -1.26 -5.05 118.95 119.76 2cqb s ARG 86 Ca 0.47 -1.07 0.12 0.00 -2.50 0.00 0.00 55.73 52.75 2cqb s ARG 86 Cb -0.17 -0.42 0.42 0.00 0.06 0.00 0.00 34.95 34.84 2cqb s ARG 86 CO 0.76 0.06 1.22 0.44 -2.50 0.00 0.00 175.30 175.27 2cqb n ILE 87 N 0.74 2.07 -3.58 4.11 -0.00 -1.26 -4.98 119.36 116.46 2cqb n ILE 87 Ca -0.17 -3.12 -0.01 0.00 -0.00 0.00 0.00 62.75 59.45 2cqb n ILE 87 Cb 0.57 -0.17 -0.04 0.00 -0.00 0.00 0.00 39.64 40.00 2cqb n ILE 87 CO 0.00 0.00 0.00 -0.75 -0.00 0.00 0.00 176.55 175.80 2cqb s LYS 88 N -3.04 0.50 0.47 6.28 2.47 -1.26 -5.15 119.74 120.01 2cqb s LYS 88 Ca 0.38 1.19 -0.21 0.00 -1.56 0.00 0.00 55.97 55.77 2cqb s LYS 88 Cb 0.37 0.65 -0.11 0.00 -1.46 0.00 0.00 37.83 37.28 2cqb s LYS 88 CO -0.08 -0.16 0.62 -1.91 0.16 0.00 0.00 175.35 173.99 2cqb n GLU 89 N 5.13 0.68 -3.71 4.03 2.13 -1.26 -4.95 120.64 122.70 2cqb n GLU 89 Ca -0.12 0.25 -0.35 0.00 0.66 0.00 0.00 57.16 57.60 2cqb n GLU 89 Cb 0.51 -1.67 -0.08 0.00 0.27 0.00 0.00 31.44 30.48 2cqb n GLU 89 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 2cqb s SER 90 N -0.99 6.24 -0.40 4.31 0.15 -1.26 -5.05 113.70 116.70 2cqb s SER 90 Ca 0.65 0.27 0.01 0.00 0.70 0.00 0.00 55.95 57.58 2cqb s SER 90 Cb -0.54 -2.10 0.14 0.00 -1.71 0.00 0.00 66.02 61.81 2cqb s SER 90 CO 0.56 0.17 0.25 -0.83 1.20 0.00 0.00 173.24 174.60 2cqb s GLY 91 N 0.37 1.24 0.91 9.45 0.00 -1.26 -5.13 107.32 112.90 2cqb s GLY 91 Ca 0.09 -2.26 -0.12 0.00 0.00 0.00 0.00 44.72 42.44 2cqb s GLY 91 CO -0.01 1.89 1.09 2.56 0.00 0.00 0.00 173.10 178.63 2cqb s PRO 92 N 0.59 1.11 0.05 2.90 0.04 -1.26 -5.08 135.00 133.34 2cqb s PRO 92 Ca 0.21 0.76 -0.00 0.00 0.04 0.00 0.00 61.00 62.01 2cqb s PRO 92 Cb -0.18 -1.80 -0.03 0.00 0.04 0.00 0.00 34.50 32.53 2cqb s PRO 92 CO -0.03 -2.33 -0.04 -1.54 0.04 0.00 0.00 177.00 173.10 2cqb s SER 93 N -3.43 0.57 0.14 6.66 1.04 -1.26 -5.15 113.70 112.27 2cqb s SER 93 Ca 0.64 -0.86 -0.16 0.00 0.48 0.00 0.00 55.95 56.05 2cqb s SER 93 Cb -0.18 0.15 -0.07 0.00 0.10 0.00 0.00 66.02 66.02 2cqb s SER 93 CO 0.57 -0.48 0.58 -0.55 0.98 0.00 0.00 173.24 174.34 2cqb s SER 94 N -2.52 6.91 0.00 7.02 0.15 -1.26 -5.37 113.70 118.63 2cqb s SER 94 Ca 0.02 1.17 0.00 0.00 0.70 0.00 0.00 55.95 57.84 2cqb s SER 94 Cb 0.02 -2.33 0.00 0.00 -1.71 0.00 0.00 66.02 62.01 2cqb s SER 94 CO -0.06 0.13 0.00 0.61 1.20 0.00 0.00 173.24 175.12