#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 -0.03 0.18 1.61 1.04 -1.26 -5.05 113.70 110.19 2cqb s SER -5 Ca 0.00 0.66 -0.20 0.00 0.48 0.00 0.00 55.95 56.89 2cqb s SER -5 Cb 0.00 0.70 0.10 0.00 0.10 0.00 0.00 66.02 66.92 2cqb s SER -5 CO 0.00 -0.21 1.38 -0.24 0.98 0.00 0.00 173.24 175.15 2cqb n SER -4 N 4.86 -0.73 0.00 7.02 2.88 -1.26 -4.83 113.62 121.57 2cqb n SER -4 Ca -0.15 1.57 0.00 0.00 -1.33 0.00 0.00 58.87 58.96 2cqb n SER -4 Cb 0.51 -0.29 0.00 0.00 -0.75 0.00 0.00 64.21 63.68 2cqb n SER -4 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2cqb n GLY -3 N -1.34 1.83 3.42 0.46 0.00 -1.26 -5.15 105.19 103.15 2cqb n GLY -3 Ca 0.06 -0.12 -0.28 0.00 0.00 0.00 0.00 46.02 45.68 2cqb n GLY -3 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2cqb n SER -2 N 0.00 -2.27 -4.41 1.61 7.64 -1.26 -5.04 113.62 109.89 2cqb n SER -2 Ca 0.00 -0.32 -0.30 0.00 1.01 0.00 0.00 58.87 59.27 2cqb n SER -2 Cb 0.00 -1.21 -0.13 0.00 -1.01 0.00 0.00 64.21 61.86 2cqb n SER -2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2cqb s SER -1 N -2.48 3.47 -0.24 6.43 0.01 -1.26 -5.06 113.70 114.57 2cqb s SER -1 Ca 0.69 -0.62 -0.16 0.00 1.31 0.00 0.00 55.95 57.16 2cqb s SER -1 Cb -0.24 -0.36 -0.13 0.00 0.21 0.00 0.00 66.02 65.50 2cqb s SER -1 CO 0.65 0.21 -0.19 0.61 0.41 0.00 0.00 173.24 174.93 2cqb n GLY 0 N 1.20 -0.60 3.51 3.44 0.00 -1.26 -4.97 105.19 106.52 2cqb n GLY 0 Ca -0.17 -0.08 -0.48 0.00 0.00 0.00 0.00 46.02 45.28 2cqb n GLY 0 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2cqb n MET 1 N -4.34 0.69 -4.17 1.61 0.00 -1.26 -4.91 117.12 104.73 2cqb n MET 1 Ca -0.42 0.24 -0.15 0.00 -0.00 0.00 0.00 57.70 57.37 2cqb n MET 1 Cb 0.77 -1.54 -0.07 0.00 0.00 0.00 0.00 33.22 32.38 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 -0.68 1.16 0.03 -5.12 0.00 -1.26 -5.01 121.76 110.87 2cqb s ALA 2 Ca 0.68 -1.70 -0.21 0.00 0.00 0.00 0.00 51.96 50.73 2cqb s ALA 2 Cb -0.88 1.32 -0.16 0.00 0.00 0.00 0.00 23.12 23.40 2cqb s ALA 2 CO 0.56 -0.71 1.32 1.15 0.00 0.00 0.00 175.76 178.08 2cqb h THR 3 N 2.25 1.36 -3.22 0.00 2.02 -1.93 -3.43 112.91 109.96 2cqb h THR 3 Ca -0.29 -1.30 -0.49 0.00 0.77 0.00 0.00 66.41 65.11 2cqb h THR 3 Cb 1.24 1.96 -0.38 0.00 -1.74 0.00 0.00 68.15 69.23 2cqb h THR 3 CO 0.41 0.37 -0.79 0.42 0.37 0.00 0.00 175.52 176.31 2cqb s THR 4 N -4.26 0.74 -1.80 3.16 -4.23 -1.26 -4.99 115.64 103.00 2cqb s THR 4 Ca -0.14 -0.13 0.05 0.00 -1.18 0.00 0.00 61.69 60.29 2cqb s THR 4 Cb 0.04 -0.83 0.15 0.00 1.34 0.00 0.00 72.50 73.21 2cqb s THR 4 CO 0.74 0.30 1.06 1.17 -0.54 0.00 0.00 174.62 177.36 2cqb n LYS 5 N 5.03 1.47 -0.10 3.99 4.81 -1.26 -3.72 118.16 128.38 2cqb n LYS 5 Ca -0.10 -0.62 -0.23 0.00 -0.87 0.00 0.00 58.31 56.49 2cqb n LYS 5 Cb 0.50 -1.22 -0.12 0.00 0.02 0.00 0.00 35.03 34.21 2cqb n LYS 5 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 2cqb n ARG 6 N 0.02 0.64 -2.65 1.64 1.74 -1.26 -4.51 116.66 112.27 2cqb n ARG 6 Ca 0.06 0.28 -0.43 0.00 -0.77 0.00 0.00 57.85 56.99 2cqb n ARG 6 Cb 0.20 -1.59 -0.02 0.00 -1.02 0.00 0.00 32.46 30.02 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 -2.50 4.68 0.04 1.55 1.01 -1.24 -2.69 120.40 121.25 2cqb s VAL 7 Ca -0.32 2.01 0.01 0.00 0.00 0.00 0.00 61.98 63.68 2cqb s VAL 7 Cb 0.10 -4.30 -0.04 0.00 0.00 0.00 0.00 36.38 32.14 2cqb s VAL 7 CO 0.60 -0.16 0.10 -0.76 0.00 0.00 0.00 175.10 174.88 2cqb s LEU 8 N 3.10 3.92 -0.12 3.92 1.43 0.76 -2.70 118.68 128.99 2cqb s LEU 8 Ca 0.45 0.09 -0.04 0.00 -1.03 0.00 0.00 54.13 53.60 2cqb s LEU 8 Cb -0.16 -2.47 -0.04 0.00 0.03 0.00 0.00 46.19 43.56 2cqb s LEU 8 CO 0.07 0.21 0.05 -0.47 0.23 0.00 0.00 176.35 176.45 2cqb s TYR 9 N -1.33 3.29 -0.06 0.29 6.14 1.00 -0.73 117.35 125.94 2cqb s TYR 9 Ca 0.28 0.24 0.04 0.00 0.64 0.00 0.00 57.07 58.26 2cqb s TYR 9 Cb -0.12 -1.89 0.00 0.00 0.42 0.00 0.00 41.96 40.37 2cqb s TYR 9 CO 0.20 0.46 -0.17 0.08 0.64 0.00 0.00 175.55 176.76 2cqb s VAL 10 N -0.63 1.48 0.34 3.14 1.01 -0.30 -1.83 120.40 123.61 2cqb s VAL 10 Ca 0.11 -0.71 0.03 0.00 0.00 0.00 0.00 61.98 61.41 2cqb s VAL 10 Cb -0.12 -1.30 -0.04 0.00 0.00 0.00 0.00 36.38 34.92 2cqb s VAL 10 CO 0.02 0.43 0.11 -0.83 0.00 0.00 0.00 175.10 174.83 2cqb s GLY 11 N 0.32 2.19 -1.36 4.51 0.00 0.09 -1.69 107.32 111.38 2cqb s GLY 11 Ca -0.11 -1.70 0.00 0.00 0.00 0.00 0.00 44.72 42.91 2cqb s GLY 11 CO 0.04 -1.74 0.00 0.61 0.00 0.00 0.00 173.10 172.01 2cqb n GLY 12 N -0.70 -0.10 3.26 0.20 0.00 -1.02 -1.91 105.19 104.92 2cqb n GLY 12 Ca -0.02 -0.24 -0.26 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.19 0.00 -5.03 0.99 4.77 -1.15 -4.50 117.00 109.89 2cqb n LEU 13 Ca -0.18 -1.17 -0.20 0.00 -0.03 0.00 0.00 56.01 54.43 2cqb n LEU 13 Cb 0.63 -0.89 0.06 0.00 -2.33 0.00 0.00 43.42 40.89 2cqb n LEU 13 CO 0.22 -1.61 0.34 0.00 -1.33 0.00 0.00 177.39 175.01 2cqb s ALA 14 N -3.59 4.68 -0.56 -1.18 0.00 -1.26 -4.87 121.76 114.97 2cqb s ALA 14 Ca 0.65 -2.11 0.24 0.00 0.00 0.00 0.00 51.96 50.74 2cqb s ALA 14 Cb -0.03 -1.48 0.47 0.00 0.00 0.00 0.00 23.12 22.07 2cqb s ALA 14 CO 0.47 -0.84 1.53 1.05 0.00 0.00 0.00 175.76 177.97 2cqb h GLU 15 N 0.19 0.00 0.00 0.00 9.09 -1.98 -3.26 114.58 118.62 2cqb h GLU 15 Ca -0.31 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.10 2cqb h GLU 15 Cb 1.29 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.39 2cqb h GLU 15 CO 0.41 0.00 -1.73 -1.91 0.05 0.00 0.00 179.01 175.83 2cqb n GLU 16 N -2.52 0.54 -2.41 1.06 4.07 -1.26 -4.95 120.64 115.17 2cqb n GLU 16 Ca 0.04 -0.15 -0.41 0.00 -0.06 0.00 0.00 57.16 56.58 2cqb n GLU 16 Cb 0.48 -1.50 -0.03 0.00 -0.06 0.00 0.00 31.44 30.33 2cqb n GLU 16 CO 0.00 0.00 0.00 0.08 -0.06 0.00 0.00 177.13 177.15 2cqb s VAL 17 N -3.34 3.73 0.31 6.31 1.01 -1.23 -4.90 120.40 122.28 2cqb s VAL 17 Ca -0.04 1.40 -0.00 0.00 0.00 0.00 0.00 61.98 63.34 2cqb s VAL 17 Cb 0.14 -3.89 0.00 0.00 0.00 0.00 0.00 36.38 32.63 2cqb s VAL 17 CO 0.87 0.20 0.41 -0.90 0.00 0.00 0.00 175.10 175.68 2cqb n ASP 18 N 2.87 -1.13 -0.45 3.32 5.68 -1.26 -4.77 116.55 120.81 2cqb n ASP 18 Ca 0.05 -2.73 0.39 0.00 -0.50 0.00 0.00 54.79 52.01 2cqb n ASP 18 Cb 0.45 2.16 0.73 0.00 -1.14 0.00 0.00 41.12 43.32 2cqb n ASP 18 CO 0.00 0.00 0.00 -2.24 -1.33 0.00 0.00 177.20 173.63 2cqb h ASP 19 N 1.77 0.09 0.47 -1.12 3.04 -1.95 -0.10 116.42 118.61 2cqb h ASP 19 Ca -0.24 0.03 -0.02 0.00 -3.24 0.00 0.00 57.03 53.56 2cqb h ASP 19 Cb 1.06 0.02 0.00 0.00 -1.04 0.00 0.00 39.33 39.38 2cqb h ASP 19 CO 0.33 -0.02 -0.23 0.11 -2.04 0.00 0.00 179.24 177.39 2cqb h LYS 20 N 0.06 -0.61 -0.67 4.15 6.56 -1.97 0.62 116.57 124.71 2cqb h LYS 20 Ca 0.72 0.04 0.12 0.00 -1.06 0.00 0.00 60.65 60.47 2cqb h LYS 20 Cb 2.67 0.14 -0.09 0.00 -0.57 0.00 0.00 32.23 34.38 2cqb h LYS 20 CO -0.10 -0.40 0.21 0.28 -2.06 0.00 0.00 179.45 177.38 2cqb h VAL 21 N -1.04 0.66 -0.56 0.50 2.07 -1.47 -0.75 116.25 115.67 2cqb h VAL 21 Ca -0.06 -0.12 -0.11 0.00 0.82 0.00 0.00 66.70 67.23 2cqb h VAL 21 Cb 0.48 0.27 -0.02 0.00 -1.52 0.00 0.00 31.29 30.51 2cqb h VAL 21 CO 0.11 0.07 -0.07 -0.07 0.02 0.00 0.00 177.57 177.62 2cqb h LEU 22 N 0.36 1.01 -0.06 2.57 3.38 -1.16 -1.29 115.31 120.13 2cqb h LEU 22 Ca 0.36 -0.32 0.03 0.00 0.09 0.00 0.00 57.88 58.04 2cqb h LEU 22 Cb 0.52 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.95 2cqb h LEU 22 CO -0.39 1.11 -0.20 -0.74 0.09 0.00 0.00 178.44 178.31 2cqb h HIS 23 N 0.92 -0.52 0.00 1.13 2.76 0.58 0.45 115.15 120.47 2cqb h HIS 23 Ca 0.15 0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.32 2cqb h HIS 23 Cb 0.63 0.24 -0.00 0.00 1.55 0.00 0.00 27.41 29.83 2cqb h HIS 23 CO 0.04 -0.28 -0.09 0.00 -1.30 0.00 0.00 177.93 176.30 2cqb h ALA 24 N 0.66 1.01 0.00 5.26 0.00 -1.30 0.22 119.26 125.10 2cqb h ALA 24 Ca 0.08 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2cqb h ALA 24 Cb 0.39 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.17 2cqb h ALA 24 CO -0.22 0.11 -0.39 0.00 0.00 0.00 0.00 179.25 178.75 2cqb n ALA 25 N -2.14 2.90 -0.03 0.00 0.00 -0.47 -3.75 120.51 117.01 2cqb n ALA 25 Ca 0.01 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.23 2cqb n ALA 25 Cb 0.38 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.58 2cqb n ALA 25 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2cqb n PHE 26 N -1.86 0.00 0.15 0.00 3.01 0.15 -4.67 117.46 114.24 2cqb n PHE 26 Ca 0.05 -0.01 0.06 0.00 1.01 0.00 0.00 57.45 58.56 2cqb n PHE 26 Cb 0.39 -0.00 0.55 0.00 -0.01 0.00 0.00 39.48 40.41 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 0.04 1.05 0.97 4.37 6.09 -0.67 -3.07 117.51 126.28 2cqb h ILE 27 Ca 0.00 -0.09 -0.05 0.00 -1.37 0.00 0.00 64.86 63.35 2cqb h ILE 27 Cb 0.03 0.80 0.01 0.00 0.47 0.00 0.00 36.82 38.13 2cqb h ILE 27 CO 0.00 0.05 -0.46 -0.65 -3.07 0.00 0.00 178.15 174.01 2cqb h PRO 28 N 0.23 -1.25 -0.46 2.19 0.11 -1.83 -3.26 132.00 127.73 2cqb h PRO 28 Ca 0.06 0.09 0.04 0.00 0.11 0.00 0.00 66.00 66.30 2cqb h PRO 28 Cb -0.02 0.28 -0.06 0.00 0.11 0.00 0.00 31.00 31.32 2cqb h PRO 28 CO -0.01 -0.83 -0.27 1.19 -0.21 0.00 0.00 178.00 177.86 2cqb n PHE 29 N -5.49 -0.20 -0.74 0.65 3.72 -1.16 -4.87 117.46 109.36 2cqb n PHE 29 Ca -0.16 0.58 0.00 0.00 -0.05 0.00 0.00 57.45 57.82 2cqb n PHE 29 Cb 0.51 -0.51 0.00 0.00 -0.94 0.00 0.00 39.48 38.54 2cqb n PHE 29 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2cqb n GLY 30 N -1.12 4.09 3.18 1.37 0.00 -1.23 -5.02 105.19 106.47 2cqb n GLY 30 Ca 0.01 -0.53 -0.40 0.00 0.00 0.00 0.00 46.02 45.10 2cqb n GLY 30 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2cqb s ASP 31 N 1.72 5.74 -0.59 1.61 2.15 -1.26 -4.59 116.67 121.45 2cqb s ASP 31 Ca 0.00 -2.55 -0.30 0.00 0.43 0.00 0.00 52.55 50.13 2cqb s ASP 31 Cb 0.00 -1.98 -0.12 0.00 -0.30 0.00 0.00 42.92 40.51 2cqb s ASP 31 CO 0.00 -0.51 2.43 -0.38 -0.17 0.00 0.00 175.17 176.54 2cqb n ILE 32 N 4.01 0.03 -0.10 4.11 5.41 -1.26 -3.39 119.36 128.16 2cqb n ILE 32 Ca 0.05 -0.41 -0.09 0.00 1.00 0.00 0.00 62.75 63.30 2cqb n ILE 32 Cb 0.41 -1.82 -0.01 0.00 -0.71 0.00 0.00 39.64 37.51 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 7.60 1.10 -1.92 1.39 1.35 -1.44 -3.46 112.91 117.52 2cqb h THR 33 Ca -0.20 -0.21 0.04 0.00 -0.55 0.00 0.00 66.41 65.49 2cqb h THR 33 Cb 1.30 0.64 -0.20 0.00 -1.73 0.00 0.00 68.15 68.16 2cqb h THR 33 CO 1.18 0.10 0.42 -0.62 -0.25 0.00 0.00 175.52 176.35 2cqb s ASP 34 N -5.53 -0.46 -0.00 5.36 -1.08 -1.23 -5.05 116.67 108.68 2cqb s ASP 34 Ca -0.13 0.37 0.07 0.00 -0.52 0.00 0.00 52.55 52.34 2cqb s ASP 34 Cb 0.10 0.40 -0.02 0.00 -1.46 0.00 0.00 42.92 41.94 2cqb s ASP 34 CO 0.72 -0.51 -0.22 -0.63 0.52 0.00 0.00 175.17 175.04 2cqb s ILE 35 N -1.73 1.77 -0.09 4.11 1.01 -1.26 -0.97 121.20 124.04 2cqb s ILE 35 Ca -0.03 -1.02 0.05 0.00 0.00 0.00 0.00 60.65 59.65 2cqb s ILE 35 Cb -0.00 -1.48 -0.00 0.00 0.01 0.00 0.00 42.46 40.98 2cqb s ILE 35 CO 0.01 0.44 -0.24 -1.10 0.00 0.00 0.00 174.94 174.04 2cqb s GLN 36 N -0.67 2.91 -0.14 2.79 1.11 -0.36 -5.02 119.66 120.27 2cqb s GLN 36 Ca 0.09 -0.89 0.00 0.00 0.01 0.00 0.00 55.36 54.57 2cqb s GLN 36 Cb -0.09 -2.26 0.02 0.00 -1.01 0.00 0.00 33.01 29.67 2cqb s GLN 36 CO -0.00 0.24 -0.13 0.42 0.01 0.00 0.00 175.29 175.82 2cqb s ILE 37 N 0.19 1.48 -0.23 1.08 -1.09 -1.26 -1.79 121.20 119.58 2cqb s ILE 37 Ca -0.14 -0.58 -0.29 0.00 -2.23 0.00 0.00 60.65 57.40 2cqb s ILE 37 Cb -0.17 -1.39 -0.03 0.00 -1.58 0.00 0.00 42.46 39.29 2cqb s ILE 37 CO 0.07 0.44 1.62 -2.16 -1.23 0.00 0.00 174.94 173.68 2cqb s PRO 38 N 1.45 3.78 0.11 2.79 0.04 -1.26 -5.00 135.00 136.90 2cqb s PRO 38 Ca 0.03 1.64 0.05 0.00 0.04 0.00 0.00 61.00 62.76 2cqb s PRO 38 Cb -0.13 -4.04 -0.04 0.00 0.04 0.00 0.00 34.50 30.33 2cqb s PRO 38 CO -0.09 -1.32 -0.12 -0.51 0.04 0.00 0.00 177.00 175.00 2cqb s LEU 39 N 5.26 2.40 0.00 -3.56 1.43 -1.26 -3.53 118.68 119.42 2cqb s LEU 39 Ca 0.71 -0.80 0.00 0.00 -1.03 0.00 0.00 54.13 53.02 2cqb s LEU 39 Cb -0.25 -0.45 0.12 0.00 0.03 0.00 0.00 46.19 45.64 2cqb s LEU 39 CO 0.29 -0.19 0.81 -0.67 0.23 0.00 0.00 176.35 176.83 2cqb n ASP 40 N 0.59 1.12 -0.00 2.29 2.03 -1.23 -4.84 116.55 116.50 2cqb n ASP 40 Ca -0.16 -1.94 0.10 0.00 0.52 0.00 0.00 54.79 53.31 2cqb n ASP 40 Cb 0.57 -0.52 -0.12 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 -2.57 0.00 -0.12 -0.67 4.11 -1.26 -2.72 117.16 113.93 2cqb n TYR 41 Ca 0.13 0.00 -0.24 0.00 -0.00 0.00 0.00 57.90 57.79 2cqb n TYR 41 Cb 0.48 -0.05 -0.09 0.00 -0.00 0.00 0.00 39.34 39.68 2cqb n TYR 41 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.86 177.25 2cqb n GLU 42 N -1.55 0.51 -0.00 -3.48 -0.58 -1.26 -4.72 120.64 109.55 2cqb n GLU 42 Ca 0.03 0.21 0.07 0.00 -0.42 0.00 0.00 57.16 57.05 2cqb n GLU 42 Cb 0.34 -1.35 -0.10 0.00 -0.57 0.00 0.00 31.44 29.75 2cqb n GLU 42 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 2cqb n THR 43 N -3.95 0.00 -4.14 2.62 -2.24 -1.26 -5.00 114.28 100.31 2cqb n THR 43 Ca -0.46 -0.29 -0.35 0.00 -2.27 0.00 0.00 64.05 60.69 2cqb n THR 43 Cb 0.84 0.37 -0.02 0.00 -2.10 0.00 0.00 70.33 69.43 2cqb n THR 43 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2cqb n GLU 44 N -1.83 -3.46 -4.11 -0.78 1.02 -1.10 -4.83 120.64 105.54 2cqb n GLU 44 Ca -0.01 0.40 -0.23 0.00 -0.02 0.00 0.00 57.16 57.30 2cqb n GLU 44 Cb 0.33 -5.16 -0.07 0.00 -0.02 0.00 0.00 31.44 26.52 2cqb n GLU 44 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2cqb s LYS 45 N -6.85 2.33 0.13 3.49 1.02 -1.26 -4.51 119.74 114.09 2cqb s LYS 45 Ca 0.73 -1.60 0.05 0.00 0.02 0.00 0.00 55.97 55.17 2cqb s LYS 45 Cb -0.39 -2.13 -0.04 0.00 -0.52 0.00 0.00 37.83 34.74 2cqb s LYS 45 CO 0.89 0.08 0.07 -3.38 -0.92 0.00 0.00 175.35 172.09 2cqb s HIS 46 N -2.45 3.06 -0.14 3.18 -3.43 -1.23 -3.49 115.29 110.79 2cqb s HIS 46 Ca 0.38 -0.02 0.01 0.00 -0.80 0.00 0.00 55.06 54.63 2cqb s HIS 46 Cb -0.02 -1.52 0.18 0.00 -1.43 0.00 0.00 32.58 29.80 2cqb s HIS 46 CO 0.22 0.51 1.36 0.54 -2.00 0.00 0.00 174.74 175.38 2cqb n ARG 47 N 0.08 1.37 -2.55 -0.38 1.74 -1.26 -4.77 116.66 110.88 2cqb n ARG 47 Ca -0.09 -0.86 -0.06 0.00 -0.77 0.00 0.00 57.85 56.07 2cqb n ARG 47 Cb 0.53 -1.34 0.03 0.00 -1.02 0.00 0.00 32.46 30.67 2cqb n ARG 47 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2cqb n GLY 48 N 0.14 0.21 3.65 -0.13 0.00 -1.26 -4.89 105.19 102.91 2cqb n GLY 48 Ca 0.17 -0.29 -0.05 0.00 0.00 0.00 0.00 46.02 45.85 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 -3.12 -0.20 0.13 1.61 -0.71 -1.26 -2.42 117.98 112.00 2cqb s PHE 49 Ca 0.03 -0.02 -0.24 0.00 -1.04 0.00 0.00 56.93 55.66 2cqb s PHE 49 Cb -0.01 0.59 0.08 0.00 -1.21 0.00 0.00 43.02 42.47 2cqb s PHE 49 CO 0.25 -0.68 1.11 0.00 -1.34 0.00 0.00 175.22 174.57 2cqb s ALA 50 N -3.15 -1.85 -0.07 1.99 0.00 -0.68 -4.49 121.76 113.50 2cqb s ALA 50 Ca 0.10 -0.26 0.01 0.00 0.00 0.00 0.00 51.96 51.81 2cqb s ALA 50 Cb -0.01 0.82 0.02 0.00 0.00 0.00 0.00 23.12 23.95 2cqb s ALA 50 CO -0.02 -1.09 -0.08 -0.06 0.00 0.00 0.00 175.76 174.50 2cqb s PHE 51 N -2.07 1.19 -0.10 0.00 0.08 -0.74 -1.15 117.98 115.18 2cqb s PHE 51 Ca 0.25 -0.45 -0.03 0.00 0.12 0.00 0.00 56.93 56.82 2cqb s PHE 51 Cb -0.02 -0.96 -0.03 0.00 -0.57 0.00 0.00 43.02 41.44 2cqb s PHE 51 CO 0.04 -0.30 0.02 0.08 -0.10 0.00 0.00 175.22 174.96 2cqb s VAL 52 N 1.01 4.42 -0.26 -0.44 1.01 0.09 -1.22 120.40 125.01 2cqb s VAL 52 Ca -0.09 -0.20 -0.08 0.00 0.00 0.00 0.00 61.98 61.61 2cqb s VAL 52 Cb -0.15 -2.89 -0.03 0.00 0.00 0.00 0.00 36.38 33.32 2cqb s VAL 52 CO -0.00 0.58 0.10 -0.70 0.00 0.00 0.00 175.10 175.08 2cqb s GLU 53 N -0.66 3.66 0.16 2.72 2.12 -0.14 -0.17 118.70 126.39 2cqb s GLU 53 Ca 0.11 -0.48 -0.04 0.00 0.36 0.00 0.00 54.97 54.92 2cqb s GLU 53 Cb -0.12 -3.40 -0.05 0.00 0.26 0.00 0.00 34.13 30.82 2cqb s GLU 53 CO 0.02 -0.21 0.38 -0.06 -0.54 0.00 0.00 175.26 174.85 2cqb s PHE 54 N 1.63 3.48 0.18 5.30 0.40 -1.09 -1.20 117.98 126.69 2cqb s PHE 54 Ca 0.06 0.50 -0.13 0.00 -0.60 0.00 0.00 56.93 56.77 2cqb s PHE 54 Cb -0.15 -1.97 0.18 0.00 0.51 0.00 0.00 43.02 41.59 2cqb s PHE 54 CO 0.05 0.41 1.74 1.49 0.70 0.00 0.00 175.22 179.61 2cqb h GLU 55 N 2.59 0.32 -5.19 0.44 4.57 -1.91 -3.44 114.58 111.96 2cqb h GLU 55 Ca -0.46 -0.02 -0.57 0.00 -1.18 0.00 0.00 59.36 57.12 2cqb h GLU 55 Cb 1.17 -0.07 -0.13 0.00 -0.16 0.00 0.00 28.75 29.56 2cqb h GLU 55 CO 0.71 0.21 -0.55 -0.51 -1.18 0.00 0.00 179.01 177.70 2cqb s LEU 56 N -10.39 2.20 -0.11 1.64 1.43 -1.26 -5.06 118.68 107.13 2cqb s LEU 56 Ca -0.13 -1.57 -0.23 0.00 -1.03 0.00 0.00 54.13 51.17 2cqb s LEU 56 Cb 0.15 -0.41 -0.20 0.00 0.03 0.00 0.00 46.19 45.76 2cqb s LEU 56 CO 0.73 -0.78 0.70 0.00 0.23 0.00 0.00 176.35 177.23 2cqb h ALA 57 N 1.76 -0.02 -0.62 4.21 0.00 -1.86 -3.26 119.26 119.47 2cqb h ALA 57 Ca -0.40 -0.37 0.06 0.00 0.00 0.00 0.00 54.91 54.20 2cqb h ALA 57 Cb 1.27 0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.99 2cqb h ALA 57 CO 0.67 -0.05 -0.46 0.93 0.00 0.00 0.00 179.25 180.33 2cqb h GLU 58 N -0.94 -0.11 -0.92 0.00 4.39 -1.98 0.34 114.58 115.35 2cqb h GLU 58 Ca -0.00 0.01 0.23 0.00 0.34 0.00 0.00 59.36 59.93 2cqb h GLU 58 Cb 0.75 0.03 -0.13 0.00 -0.10 0.00 0.00 28.75 29.30 2cqb h GLU 58 CO 0.00 -0.08 0.43 -0.44 -1.16 0.00 0.00 179.01 177.76 2cqb h ASP 59 N -0.12 0.38 0.23 1.42 3.32 -1.96 -0.68 116.42 119.02 2cqb h ASP 59 Ca 0.10 0.15 0.00 0.00 0.02 0.00 0.00 57.03 57.31 2cqb h ASP 59 Cb 0.38 0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.04 2cqb h ASP 59 CO -0.65 0.00 -0.21 0.00 -1.72 0.00 0.00 179.24 176.67 2cqb h ALA 60 N 1.72 -0.44 -0.74 3.45 0.00 -0.43 -1.23 119.26 121.59 2cqb h ALA 60 Ca 0.58 -0.07 0.14 0.00 0.00 0.00 0.00 54.91 55.57 2cqb h ALA 60 Cb 1.12 0.29 -0.10 0.00 0.00 0.00 0.00 17.79 19.10 2cqb h ALA 60 CO -0.53 -0.77 0.28 0.00 0.00 0.00 0.00 179.25 178.23 2cqb h ALA 61 N 0.25 1.03 -0.63 0.00 0.00 0.18 -0.52 119.26 119.57 2cqb h ALA 61 Ca -0.01 0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 2cqb h ALA 61 Cb 0.42 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 2cqb h ALA 61 CO -0.03 -0.24 0.30 0.00 0.00 0.00 0.00 179.25 179.28 2cqb h ALA 62 N 1.55 0.81 -0.97 0.00 0.00 -1.04 -1.97 119.26 117.64 2cqb h ALA 62 Ca 0.41 -0.14 0.08 0.00 0.00 0.00 0.00 54.91 55.26 2cqb h ALA 62 Cb 0.64 -0.25 -0.07 0.00 0.00 0.00 0.00 17.79 18.11 2cqb h ALA 62 CO -0.42 0.38 0.62 0.00 0.00 0.00 0.00 179.25 179.83 2cqb h ALA 63 N 1.13 1.38 0.42 0.00 0.00 0.10 -2.50 119.26 119.79 2cqb h ALA 63 Ca 0.22 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 2cqb h ALA 63 Cb 0.12 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.65 2cqb h ALA 63 CO -0.03 0.35 -0.20 0.82 0.00 0.00 0.00 179.25 180.19 2cqb h ILE 64 N 1.09 0.39 -1.12 0.00 2.04 -1.03 0.46 117.51 119.34 2cqb h ILE 64 Ca 0.44 -0.58 0.32 0.00 1.00 0.00 0.00 64.86 66.04 2cqb h ILE 64 Cb 0.25 0.58 -0.04 0.00 -0.74 0.00 0.00 36.82 36.87 2cqb h ILE 64 CO -0.20 0.07 1.00 0.44 0.00 0.00 0.00 178.15 179.46 2cqb h ASP 65 N -0.99 0.00 0.00 1.72 3.32 -1.19 0.24 116.42 119.52 2cqb h ASP 65 Ca -0.06 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.99 2cqb h ASP 65 Cb 0.55 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.10 2cqb h ASP 65 CO 0.09 0.00 0.00 0.59 -1.72 0.00 0.00 179.24 178.20 2cqb n ASN 66 N -3.71 0.00 -0.31 6.45 3.02 -0.96 -4.59 115.26 115.16 2cqb n ASN 66 Ca 0.24 0.02 0.16 0.00 -0.03 0.00 0.00 54.58 54.97 2cqb n ASN 66 Cb 1.35 -0.26 0.30 0.00 -0.61 0.00 0.00 39.78 40.56 2cqb n ASN 66 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 2cqb n MET 67 N -1.96 -0.07 -1.68 3.52 2.81 0.16 -4.38 117.12 115.53 2cqb n MET 67 Ca 0.00 1.34 -0.65 0.00 -1.81 0.00 0.00 57.70 56.57 2cqb n MET 67 Cb 0.00 -2.16 -0.10 0.00 -0.71 0.00 0.00 33.22 30.25 2cqb n MET 67 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 2cqb n ASN 68 N -5.28 1.35 -3.50 7.83 5.15 0.82 0.68 115.26 122.32 2cqb n ASN 68 Ca 0.23 1.10 -0.21 0.00 -0.60 0.00 0.00 54.58 55.10 2cqb n ASN 68 Cb 0.76 -0.93 0.08 0.00 -0.53 0.00 0.00 39.78 39.16 2cqb n ASN 68 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 2cqb n GLU 69 N 4.70 -7.42 -2.68 1.20 1.02 0.09 -4.86 120.64 112.69 2cqb n GLU 69 Ca 0.33 0.82 -0.23 0.00 -0.02 0.00 0.00 57.16 58.07 2cqb n GLU 69 Cb -0.02 -5.83 0.10 0.00 -0.02 0.00 0.00 31.44 25.66 2cqb n GLU 69 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 2cqb s SER 70 N -3.67 4.48 -0.33 1.62 0.01 0.22 -4.81 113.70 111.22 2cqb s SER 70 Ca 0.38 -0.47 -0.04 0.00 1.31 0.00 0.00 55.95 57.13 2cqb s SER 70 Cb -0.17 0.06 0.05 0.00 0.21 0.00 0.00 66.02 66.17 2cqb s SER 70 CO 0.72 -1.77 0.07 -0.70 0.41 0.00 0.00 173.24 171.97 2cqb s GLU 71 N -5.05 2.49 0.04 12.44 2.12 -1.26 -1.90 118.70 127.58 2cqb s GLU 71 Ca 0.65 -1.27 0.05 0.00 0.36 0.00 0.00 54.97 54.77 2cqb s GLU 71 Cb -0.05 -3.35 -0.02 0.00 0.26 0.00 0.00 34.13 30.97 2cqb s GLU 71 CO 0.43 -0.68 -0.14 -1.17 -0.54 0.00 0.00 175.26 173.17 2cqb s LEU 72 N 1.32 2.18 -0.69 2.70 2.96 0.81 -4.77 118.68 123.19 2cqb s LEU 72 Ca -0.03 -0.46 -0.05 0.00 -0.22 0.00 0.00 54.13 53.37 2cqb s LEU 72 Cb -0.20 -0.57 0.05 0.00 0.50 0.00 0.00 46.19 45.97 2cqb s LEU 72 CO 0.01 0.02 0.17 0.49 -1.32 0.00 0.00 176.35 175.71 2cqb n PHE 73 N 1.87 -1.73 -2.86 5.38 3.01 -1.26 0.12 117.46 121.98 2cqb n PHE 73 Ca -0.18 0.18 -0.13 0.00 1.01 0.00 0.00 57.45 58.32 2cqb n PHE 73 Cb 0.55 -1.79 0.03 0.00 -0.01 0.00 0.00 39.48 38.26 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 -0.75 0.02 3.36 1.37 0.00 -1.26 -5.02 105.19 102.91 2cqb n GLY 74 Ca -0.01 -0.21 -0.10 0.00 0.00 0.00 0.00 46.02 45.70 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 -5.41 1.14 -0.19 1.61 1.70 0.32 -5.15 118.95 112.98 2cqb s ARG 75 Ca 0.24 -0.79 -0.18 0.00 -0.47 0.00 0.00 55.73 54.53 2cqb s ARG 75 Cb -0.10 0.47 -0.03 0.00 -0.57 0.00 0.00 34.95 34.71 2cqb s ARG 75 CO 0.29 -0.45 0.51 0.99 -1.08 0.00 0.00 175.30 175.56 2cqb s THR 76 N -3.84 5.12 0.20 4.99 2.01 -1.26 -0.13 115.64 122.74 2cqb s THR 76 Ca 0.06 0.95 0.08 0.00 0.31 0.00 0.00 61.69 63.09 2cqb s THR 76 Cb 0.01 -3.83 -0.04 0.00 0.01 0.00 0.00 72.50 68.65 2cqb s THR 76 CO -0.09 0.21 -0.03 0.27 -0.69 0.00 0.00 174.62 174.29 2cqb s ILE 77 N 1.45 3.50 -0.06 1.82 -4.36 -0.80 -4.76 121.20 118.00 2cqb s ILE 77 Ca 0.24 -1.63 0.02 0.00 -0.26 0.00 0.00 60.65 59.02 2cqb s ILE 77 Cb -0.15 -2.79 -0.03 0.00 1.25 0.00 0.00 42.46 40.74 2cqb s ILE 77 CO 0.10 -0.19 -0.10 -0.60 0.24 0.00 0.00 174.94 174.38 2cqb s ARG 78 N -3.14 2.62 -0.04 0.37 6.06 -0.80 -0.73 118.95 123.29 2cqb s ARG 78 Ca 0.28 -0.62 0.01 0.00 -2.50 0.00 0.00 55.73 52.90 2cqb s ARG 78 Cb -0.08 -2.49 0.02 0.00 0.06 0.00 0.00 34.95 32.46 2cqb s ARG 78 CO 0.18 0.64 -0.04 0.08 -2.50 0.00 0.00 175.30 173.66 2cqb s VAL 79 N -0.78 0.50 0.09 7.11 1.01 -1.26 -0.73 120.40 126.35 2cqb s VAL 79 Ca 0.12 -0.12 -0.26 0.00 0.00 0.00 0.00 61.98 61.72 2cqb s VAL 79 Cb -0.11 -0.53 0.08 0.00 0.00 0.00 0.00 36.38 35.82 2cqb s VAL 79 CO 0.01 0.21 0.83 0.21 0.00 0.00 0.00 175.10 176.36 2cqb s ASN 80 N 0.84 -0.36 0.12 3.32 2.47 -0.76 -4.45 114.94 116.13 2cqb s ASN 80 Ca -0.11 -0.14 -0.35 0.00 0.42 0.00 0.00 52.86 52.68 2cqb s ASN 80 Cb -0.14 0.48 -0.16 0.00 -1.45 0.00 0.00 41.25 39.99 2cqb s ASN 80 CO 0.00 -0.82 1.37 0.18 -3.72 0.00 0.00 177.10 174.11 2cqb n LEU 81 N -0.34 2.03 -4.40 3.21 4.77 -1.26 -0.00 117.00 121.00 2cqb n LEU 81 Ca -0.10 1.12 -0.50 0.00 -0.03 0.00 0.00 56.01 56.50 2cqb n LEU 81 Cb 0.62 -1.26 -0.10 0.00 -2.33 0.00 0.00 43.42 40.35 2cqb n LEU 81 CO 0.12 -0.89 1.91 0.00 -1.33 0.00 0.00 177.39 177.20 2cqb n ALA 82 N 2.53 0.55 -1.41 -1.18 0.00 -1.10 -4.65 120.51 115.25 2cqb n ALA 82 Ca 0.17 -0.11 -0.38 0.00 0.00 0.00 0.00 53.44 53.12 2cqb n ALA 82 Cb 0.23 -2.37 0.03 0.00 0.00 0.00 0.00 19.45 17.34 2cqb n ALA 82 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 2cqb n LYS 83 N 8.10 0.38 -2.15 0.00 0.00 -1.26 -4.81 118.16 118.41 2cqb n LYS 83 Ca 0.52 0.15 -0.42 0.00 -0.00 0.00 0.00 58.31 58.55 2cqb n LYS 83 Cb 0.11 -1.53 -0.03 0.00 -0.00 0.00 0.00 35.03 33.59 2cqb n LYS 83 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 2cqb s PRO 84 N -1.83 4.21 0.50 -1.58 0.04 -1.26 -5.02 135.00 130.06 2cqb s PRO 84 Ca 0.66 2.01 0.05 0.00 0.04 0.00 0.00 61.00 63.76 2cqb s PRO 84 Cb -0.46 -3.84 0.05 0.00 0.04 0.00 0.00 34.50 30.29 2cqb s PRO 84 CO 0.57 -0.76 0.38 0.00 0.04 0.00 0.00 177.00 177.23 2cqb n MET 85 N 6.62 0.75 -4.31 4.56 0.00 -1.26 -5.15 117.12 118.33 2cqb n MET 85 Ca 0.16 -3.10 -0.22 0.00 0.00 0.00 0.00 57.70 54.53 2cqb n MET 85 Cb 0.43 0.33 -0.12 0.00 0.00 0.00 0.00 33.22 33.86 2cqb n MET 85 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 175.97 177.00 2cqb s ARG 86 N -4.04 1.21 -0.05 3.17 1.81 -1.26 -5.04 118.95 114.75 2cqb s ARG 86 Ca 0.28 -1.33 0.07 0.00 -1.72 0.00 0.00 55.73 53.04 2cqb s ARG 86 Cb -0.02 -1.31 0.11 0.00 -0.45 0.00 0.00 34.95 33.28 2cqb s ARG 86 CO 0.18 0.27 1.05 0.44 -0.68 0.00 0.00 175.30 176.56 2cqb n ILE 87 N 0.52 0.75 -2.61 1.52 -0.00 -1.26 -5.08 119.36 113.20 2cqb n ILE 87 Ca -0.15 -0.90 -0.35 0.00 -0.00 0.00 0.00 62.75 61.35 2cqb n ILE 87 Cb 0.56 0.22 -0.04 0.00 -0.00 0.00 0.00 39.64 40.38 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 -1.14 4.02 -0.07 6.28 2.47 -1.26 -5.01 119.74 125.03 2cqb s LYS 88 Ca 0.13 1.35 -0.10 0.00 -1.56 0.00 0.00 55.97 55.78 2cqb s LYS 88 Cb 0.11 -2.26 -0.03 0.00 -1.46 0.00 0.00 37.83 34.19 2cqb s LYS 88 CO 0.01 -0.24 -0.19 -1.91 0.16 0.00 0.00 175.35 173.17 2cqb n GLU 89 N -0.60 0.29 -3.56 4.03 0.00 -1.26 -5.12 120.64 114.43 2cqb n GLU 89 Ca 0.07 0.12 -0.08 0.00 0.00 0.00 0.00 57.16 57.27 2cqb n GLU 89 Cb 0.52 -1.00 -0.03 0.00 0.00 0.00 0.00 31.44 30.93 2cqb n GLU 89 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 2cqb s SER 90 N -5.79 -0.29 -0.07 4.31 0.15 -1.26 -5.13 113.70 105.62 2cqb s SER 90 Ca -0.16 0.13 -0.30 0.00 0.70 0.00 0.00 55.95 56.33 2cqb s SER 90 Cb 0.02 0.28 -0.04 0.00 -1.71 0.00 0.00 66.02 64.57 2cqb s SER 90 CO 0.24 -0.40 1.46 -0.83 1.20 0.00 0.00 173.24 174.91 2cqb s GLY 91 N -1.87 1.67 1.16 9.45 0.00 -1.26 -5.01 107.32 111.46 2cqb s GLY 91 Ca 0.04 0.78 -0.18 0.00 0.00 0.00 0.00 44.72 45.36 2cqb s GLY 91 CO -0.04 2.71 1.11 2.56 0.00 0.00 0.00 173.10 179.43 2cqb s PRO 92 N 3.34 -0.88 -0.74 2.90 0.04 -1.26 -4.89 135.00 133.52 2cqb s PRO 92 Ca 0.65 0.06 -0.26 0.00 0.04 0.00 0.00 61.00 61.49 2cqb s PRO 92 Cb -0.29 -1.63 -0.03 0.00 0.04 0.00 0.00 34.50 32.59 2cqb s PRO 92 CO 0.24 -3.51 1.88 -1.12 0.04 0.00 0.00 177.00 174.53 2cqb s SER 93 N -3.80 5.25 0.47 6.66 0.01 -1.26 -4.95 113.70 116.09 2cqb s SER 93 Ca 0.70 -0.11 -0.24 0.00 1.31 0.00 0.00 55.95 57.61 2cqb s SER 93 Cb -0.12 -2.54 -0.07 0.00 0.21 0.00 0.00 66.02 63.50 2cqb s SER 93 CO 0.56 -2.50 1.41 -0.44 0.41 0.00 0.00 173.24 172.68 2cqb s SER 94 N 7.96 5.72 0.00 2.44 0.01 -1.26 -5.35 113.70 123.22 2cqb s SER 94 Ca 0.67 2.89 0.00 0.00 1.31 0.00 0.00 55.95 60.82 2cqb s SER 94 Cb -0.10 -2.65 0.00 0.00 0.21 0.00 0.00 66.02 63.48 2cqb s SER 94 CO 0.12 -1.28 0.00 0.61 0.41 0.00 0.00 173.24 173.10