#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 6.39 0.00 1.61 0.01 -1.26 -4.96 113.70 115.49 2cqb s SER -5 Ca 0.00 2.12 0.00 0.00 1.31 0.00 0.00 55.95 59.38 2cqb s SER -5 Cb 0.00 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.64 2cqb s SER -5 CO 0.00 -0.76 0.00 -0.24 0.41 0.00 0.00 173.24 172.65 2cqb n SER -4 N -0.48 1.44 0.00 2.44 2.88 -1.26 -5.15 113.62 113.49 2cqb n SER -4 Ca 0.07 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.61 2cqb n SER -4 Cb 0.50 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.96 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 2.68 3.58 3.56 0.46 0.00 -1.26 -4.96 105.19 109.25 2cqb n GLY -3 Ca 0.00 -1.19 -0.19 0.00 0.00 0.00 0.00 46.02 44.64 2cqb n GLY -3 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2cqb s SER -2 N 0.00 4.40 -0.38 1.61 0.15 -1.26 -4.88 113.70 113.33 2cqb s SER -2 Ca 0.00 -0.39 -0.03 0.00 0.70 0.00 0.00 55.95 56.23 2cqb s SER -2 Cb 0.00 -2.56 0.09 0.00 -1.71 0.00 0.00 66.02 61.84 2cqb s SER -2 CO 0.00 -3.47 0.15 -0.44 1.20 0.00 0.00 173.24 170.69 2cqb s SER -1 N 9.38 5.18 0.00 5.45 0.01 -1.26 -4.95 113.70 127.51 2cqb s SER -1 Ca 0.82 -1.82 0.00 0.00 1.31 0.00 0.00 55.95 56.26 2cqb s SER -1 Cb -0.09 -1.81 0.00 0.00 0.21 0.00 0.00 66.02 64.33 2cqb s SER -1 CO 0.05 -0.47 0.00 0.61 0.41 0.00 0.00 173.24 173.85 2cqb n GLY 0 N 4.61 3.18 3.59 3.44 0.00 -1.26 -5.19 105.19 113.56 2cqb n GLY 0 Ca -0.05 -0.52 -0.08 0.00 0.00 0.00 0.00 46.02 45.36 2cqb n GLY 0 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2cqb s MET 1 N -2.19 0.47 -0.61 1.61 -2.45 -1.26 -5.09 119.30 109.78 2cqb s MET 1 Ca 0.00 0.11 -0.26 0.00 -1.25 0.00 0.00 55.69 54.29 2cqb s MET 1 Cb 0.00 0.22 -0.09 0.00 1.25 0.00 0.00 34.83 36.22 2cqb s MET 1 CO 0.00 -0.15 2.35 0.00 1.05 0.00 0.00 175.02 178.27 2cqb s ALA 2 N -1.10 1.38 -0.28 4.11 0.00 -1.26 -4.85 121.76 119.76 2cqb s ALA 2 Ca 0.01 -0.34 -0.22 0.00 0.00 0.00 0.00 51.96 51.41 2cqb s ALA 2 Cb -0.01 -4.42 0.11 0.00 0.00 0.00 0.00 23.12 18.80 2cqb s ALA 2 CO -0.01 -4.88 0.89 -0.08 0.00 0.00 0.00 175.76 171.68 2cqb s THR 3 N 12.70 0.00 -0.75 0.00 -1.32 -1.26 -5.06 115.64 119.94 2cqb s THR 3 Ca 0.93 0.00 -0.23 0.00 -1.21 0.00 0.00 61.69 61.18 2cqb s THR 3 Cb -0.15 -1.00 -0.17 0.00 -1.51 0.00 0.00 72.50 69.67 2cqb s THR 3 CO 0.19 0.00 1.91 0.41 -2.21 0.00 0.00 174.62 174.92 2cqb n THR 4 N 2.87 1.71 -0.88 5.08 -1.04 -1.26 -4.74 114.28 116.01 2cqb n THR 4 Ca -0.15 -1.51 -0.10 0.00 -2.04 0.00 0.00 64.05 60.25 2cqb n THR 4 Cb 0.56 -2.29 -0.14 0.00 -1.82 0.00 0.00 70.33 66.64 2cqb n THR 4 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 2cqb n LYS 5 N 7.16 1.77 0.00 -2.82 4.81 -1.26 -3.44 118.16 124.39 2cqb n LYS 5 Ca 0.49 -0.83 0.00 0.00 -0.87 0.00 0.00 58.31 57.10 2cqb n LYS 5 Cb 0.41 -1.85 0.00 0.00 0.02 0.00 0.00 35.03 33.61 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 2.41 3.21 -3.66 1.64 3.00 -1.26 -4.32 116.66 117.68 2cqb n ARG 6 Ca 0.36 0.00 -0.37 0.00 -0.01 0.00 0.00 57.85 57.83 2cqb n ARG 6 Cb 0.82 -0.90 -0.10 0.00 0.00 0.00 0.00 32.46 32.28 2cqb n ARG 6 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 2cqb s VAL 7 N -1.80 5.34 -0.14 1.55 1.01 -1.22 -1.41 120.40 123.72 2cqb s VAL 7 Ca 0.00 0.17 -0.05 0.00 0.00 0.00 0.00 61.98 62.10 2cqb s VAL 7 Cb 0.00 -3.49 -0.04 0.00 0.00 0.00 0.00 36.38 32.85 2cqb s VAL 7 CO 0.00 0.34 0.03 -0.76 0.00 0.00 0.00 175.10 174.71 2cqb s LEU 8 N 1.12 3.68 -0.09 3.92 1.43 0.10 -2.65 118.68 126.19 2cqb s LEU 8 Ca 0.07 0.10 -0.17 0.00 -1.03 0.00 0.00 54.13 53.10 2cqb s LEU 8 Cb -0.14 -1.89 -0.05 0.00 0.03 0.00 0.00 46.19 44.15 2cqb s LEU 8 CO 0.05 0.26 0.44 -0.47 0.23 0.00 0.00 176.35 176.86 2cqb s TYR 9 N -0.17 3.56 -0.08 0.29 6.14 0.11 -0.91 117.35 126.28 2cqb s TYR 9 Ca 0.06 0.89 0.04 0.00 0.64 0.00 0.00 57.07 58.69 2cqb s TYR 9 Cb -0.12 -2.47 -0.01 0.00 0.42 0.00 0.00 41.96 39.78 2cqb s TYR 9 CO 0.02 0.29 -0.19 0.08 0.64 0.00 0.00 175.55 176.39 2cqb s VAL 10 N 0.18 2.54 0.20 3.14 1.01 0.00 -2.00 120.40 125.48 2cqb s VAL 10 Ca 0.24 -0.88 0.00 0.00 0.00 0.00 0.00 61.98 61.35 2cqb s VAL 10 Cb -0.15 -1.99 -0.05 0.00 0.00 0.00 0.00 36.38 34.19 2cqb s VAL 10 CO 0.10 0.56 0.08 -0.83 0.00 0.00 0.00 175.10 175.02 2cqb s GLY 11 N -0.11 1.43 -0.75 4.51 0.00 -0.52 -0.80 107.32 111.08 2cqb s GLY 11 Ca -0.04 -1.70 0.00 0.00 0.00 0.00 0.00 44.72 42.98 2cqb s GLY 11 CO 0.04 -1.49 0.00 0.61 0.00 0.00 0.00 173.10 172.26 2cqb n GLY 12 N -0.30 0.50 3.69 0.20 0.00 0.01 -1.44 105.19 107.85 2cqb n GLY 12 Ca -0.02 -0.62 -0.30 0.00 0.00 0.00 0.00 46.02 45.08 2cqb n GLY 12 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2cqb s LEU 13 N -2.03 1.30 0.00 0.99 1.43 -0.93 -4.45 118.68 114.99 2cqb s LEU 13 Ca 0.00 0.55 0.04 0.00 -1.03 0.00 0.00 54.13 53.70 2cqb s LEU 13 Cb 0.00 -2.40 0.04 0.00 0.03 0.00 0.00 46.19 43.87 2cqb s LEU 13 CO 0.00 -3.68 0.35 0.00 0.23 0.00 0.00 176.35 173.25 2cqb n ALA 14 N -4.45 0.56 0.16 4.21 0.00 -1.26 -4.71 120.51 115.01 2cqb n ALA 14 Ca 0.13 -1.01 0.10 0.00 0.00 0.00 0.00 53.44 52.66 2cqb n ALA 14 Cb 0.59 0.30 0.07 0.00 0.00 0.00 0.00 19.45 20.42 2cqb n ALA 14 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2cqb h GLU 15 N 0.00 0.00 -0.76 0.00 4.81 -1.95 -3.27 114.58 113.41 2cqb h GLU 15 Ca -0.14 0.00 -0.27 0.00 -0.13 0.00 0.00 59.36 58.83 2cqb h GLU 15 Cb 0.60 0.00 -0.16 0.00 0.63 0.00 0.00 28.75 29.82 2cqb h GLU 15 CO 0.20 0.06 0.32 -1.91 -0.73 0.00 0.00 179.01 176.94 2cqb n GLU 16 N -2.93 3.34 -4.92 1.92 4.07 -1.26 -4.91 120.64 115.96 2cqb n GLU 16 Ca 0.01 -3.08 -0.32 0.00 -0.06 0.00 0.00 57.16 53.71 2cqb n GLU 16 Cb 0.57 -2.18 -0.16 0.00 -0.06 0.00 0.00 31.44 29.61 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 -3.07 2.24 0.36 6.31 1.01 -1.24 -4.91 120.40 121.11 2cqb s VAL 17 Ca 0.55 -0.94 -0.00 0.00 0.00 0.00 0.00 61.98 61.58 2cqb s VAL 17 Cb 0.44 -1.89 0.00 0.00 0.00 0.00 0.00 36.38 34.94 2cqb s VAL 17 CO 0.12 0.55 0.47 1.51 0.00 0.00 0.00 175.10 177.75 2cqb s ASP 18 N 0.54 1.14 0.38 3.32 -4.77 -1.26 -4.84 116.67 111.18 2cqb s ASP 18 Ca -0.13 -1.57 0.25 0.00 -3.30 0.00 0.00 52.55 47.80 2cqb s ASP 18 Cb -0.17 0.67 1.33 0.00 -1.09 0.00 0.00 42.92 43.67 2cqb s ASP 18 CO 0.04 -1.31 1.48 -0.90 0.70 0.00 0.00 175.17 175.18 2cqb n ASP 19 N -1.58 0.27 0.01 2.11 5.68 -1.26 0.11 116.55 121.89 2cqb n ASP 19 Ca 0.02 1.45 -0.12 0.00 -0.50 0.00 0.00 54.79 55.63 2cqb n ASP 19 Cb 0.61 -0.71 -0.08 0.00 -1.14 0.00 0.00 41.12 39.80 2cqb n ASP 19 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 2cqb h LYS 20 N 0.00 -0.00 -0.23 0.11 2.10 -1.98 0.42 116.57 116.99 2cqb h LYS 20 Ca 0.81 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 59.42 2cqb h LYS 20 Cb 2.37 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 33.69 2cqb h LYS 20 CO -0.59 0.23 -0.01 0.28 -2.00 0.00 0.00 179.45 177.36 2cqb h VAL 21 N -0.24 1.26 -0.17 0.07 2.07 0.40 -2.24 116.25 117.40 2cqb h VAL 21 Ca -0.00 -0.92 -0.08 0.00 0.82 0.00 0.00 66.70 66.52 2cqb h VAL 21 Cb 0.24 1.42 -0.01 0.00 -1.52 0.00 0.00 31.29 31.41 2cqb h VAL 21 CO 0.00 0.29 -0.25 -0.07 0.02 0.00 0.00 177.57 177.56 2cqb h LEU 22 N 0.17 0.30 0.25 2.57 3.38 -0.60 0.23 115.31 121.61 2cqb h LEU 22 Ca 0.06 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 2cqb h LEU 22 Cb 0.43 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.10 2cqb h LEU 22 CO 0.01 0.55 -0.12 -0.74 0.09 0.00 0.00 178.44 178.24 2cqb h HIS 23 N 0.27 -0.31 0.00 1.13 2.76 -0.00 -1.38 115.15 117.62 2cqb h HIS 23 Ca 0.04 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.21 2cqb h HIS 23 Cb 0.59 0.10 0.00 0.00 1.55 0.00 0.00 27.41 29.65 2cqb h HIS 23 CO 0.01 -0.04 0.00 0.00 -1.30 0.00 0.00 177.93 176.60 2cqb n ALA 24 N -2.37 1.95 0.13 5.26 0.00 -0.86 -0.37 120.51 124.26 2cqb n ALA 24 Ca -0.09 0.03 0.07 0.00 0.00 0.00 0.00 53.44 53.44 2cqb n ALA 24 Cb 0.22 -1.43 0.04 0.00 0.00 0.00 0.00 19.45 18.28 2cqb n ALA 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2cqb h ALA 25 N 2.40 0.72 -0.00 0.00 0.00 -0.71 -3.33 119.26 118.33 2cqb h ALA 25 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.60 2cqb h ALA 25 Cb 0.53 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.36 2cqb h ALA 25 CO 0.00 0.38 0.00 1.19 0.00 0.00 0.00 179.25 180.82 2cqb n PHE 26 N -3.00 0.00 0.14 0.00 3.01 -0.54 -4.63 117.46 112.44 2cqb n PHE 26 Ca -0.00 -0.00 0.06 0.00 1.01 0.00 0.00 57.45 58.52 2cqb n PHE 26 Cb 0.66 -0.00 0.55 0.00 -0.01 0.00 0.00 39.48 40.68 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 0.60 1.04 0.15 4.37 6.09 -0.81 -2.82 117.51 126.12 2cqb h ILE 27 Ca 0.00 -0.08 -0.01 0.00 -1.37 0.00 0.00 64.86 63.40 2cqb h ILE 27 Cb 0.13 0.78 0.00 0.00 0.47 0.00 0.00 36.82 38.20 2cqb h ILE 27 CO 0.00 0.04 -0.07 -0.65 -3.07 0.00 0.00 178.15 174.40 2cqb h PRO 28 N 0.24 -0.19 0.00 2.19 0.11 -1.82 -3.31 132.00 129.22 2cqb h PRO 28 Ca 0.07 0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.19 2cqb h PRO 28 Cb -0.01 0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.14 2cqb h PRO 28 CO -0.01 -0.12 0.00 1.19 -0.21 0.00 0.00 178.00 178.84 2cqb n PHE 29 N -5.17 0.00 -0.93 0.65 3.72 -1.07 -4.92 117.46 109.74 2cqb n PHE 29 Ca -0.08 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.32 2cqb n PHE 29 Cb 0.10 -0.32 0.00 0.00 -0.94 0.00 0.00 39.48 38.32 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 -0.92 5.37 2.89 1.37 0.00 -1.23 -5.06 105.19 107.61 2cqb n GLY 30 Ca 0.00 -1.34 -0.28 0.00 0.00 0.00 0.00 46.02 44.40 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 1.00 4.74 0.31 1.61 1.01 -1.26 -4.64 116.67 119.45 2cqb s ASP 31 Ca 0.00 -3.80 -0.22 0.00 0.71 0.00 0.00 52.55 49.24 2cqb s ASP 31 Cb 0.00 -1.62 -0.15 0.00 1.01 0.00 0.00 42.92 42.16 2cqb s ASP 31 CO 0.00 -0.09 0.22 -0.38 0.21 0.00 0.00 175.17 175.12 2cqb n ILE 32 N 2.05 1.03 -0.00 0.77 5.41 -1.26 -3.75 119.36 123.61 2cqb n ILE 32 Ca 0.19 -0.47 -0.00 0.00 1.00 0.00 0.00 62.75 63.47 2cqb n ILE 32 Cb 0.35 0.00 -0.00 0.00 -0.71 0.00 0.00 39.64 39.28 2cqb n ILE 32 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 2cqb n THR 33 N -0.63 0.03 -3.58 1.39 -2.24 -1.12 -4.87 114.28 103.25 2cqb n THR 33 Ca 0.13 -0.02 -0.15 0.00 -2.27 0.00 0.00 64.05 61.74 2cqb n THR 33 Cb 0.33 -0.63 -0.06 0.00 -2.10 0.00 0.00 70.33 67.86 2cqb n THR 33 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2cqb s ASP 34 N -2.82 -0.65 -0.03 3.42 2.15 -1.26 -5.05 116.67 112.42 2cqb s ASP 34 Ca -0.00 0.98 -0.01 0.00 0.43 0.00 0.00 52.55 53.95 2cqb s ASP 34 Cb 0.00 0.90 0.03 0.00 -0.30 0.00 0.00 42.92 43.55 2cqb s ASP 34 CO 0.02 -0.41 0.05 -0.63 -0.17 0.00 0.00 175.17 174.03 2cqb s ILE 35 N -0.47 -0.09 -0.07 4.11 1.01 -1.26 -1.29 121.20 123.14 2cqb s ILE 35 Ca -0.05 0.33 -0.05 0.00 0.00 0.00 0.00 60.65 60.88 2cqb s ILE 35 Cb -0.02 -0.12 -0.04 0.00 0.01 0.00 0.00 42.46 42.29 2cqb s ILE 35 CO 0.04 0.14 0.16 -1.10 0.00 0.00 0.00 174.94 174.18 2cqb s GLN 36 N 1.64 3.44 -0.09 2.79 -1.52 -0.55 -4.99 119.66 120.38 2cqb s GLN 36 Ca -0.02 -0.21 0.00 0.00 -1.95 0.00 0.00 55.36 53.18 2cqb s GLN 36 Cb -0.12 -3.15 0.02 0.00 -0.22 0.00 0.00 33.01 29.54 2cqb s GLN 36 CO -0.03 0.74 -0.07 0.42 -0.25 0.00 0.00 175.29 176.10 2cqb s ILE 37 N -1.15 0.88 -0.13 1.08 -1.09 -1.26 -2.01 121.20 117.51 2cqb s ILE 37 Ca 0.20 -0.23 -0.29 0.00 -2.23 0.00 0.00 60.65 58.09 2cqb s ILE 37 Cb -0.12 -0.90 -0.04 0.00 -1.58 0.00 0.00 42.46 39.82 2cqb s ILE 37 CO 0.10 0.33 1.55 -2.16 -1.23 0.00 0.00 174.94 173.53 2cqb s PRO 38 N 1.47 4.08 0.06 2.79 0.04 -1.26 -5.01 135.00 137.18 2cqb s PRO 38 Ca -0.00 1.90 0.03 0.00 0.04 0.00 0.00 61.00 62.97 2cqb s PRO 38 Cb -0.13 -3.95 -0.03 0.00 0.04 0.00 0.00 34.50 30.43 2cqb s PRO 38 CO -0.05 -0.95 -0.08 -0.51 0.04 0.00 0.00 177.00 175.45 2cqb s LEU 39 N 4.26 2.33 0.00 -3.56 1.43 -1.26 -3.45 118.68 118.43 2cqb s LEU 39 Ca 0.68 -0.68 -0.10 0.00 -1.03 0.00 0.00 54.13 53.00 2cqb s LEU 39 Cb -0.28 -0.20 0.14 0.00 0.03 0.00 0.00 46.19 45.88 2cqb s LEU 39 CO 0.26 -0.25 0.81 -0.67 0.23 0.00 0.00 176.35 176.73 2cqb n ASP 40 N 1.02 0.09 -0.43 2.29 2.03 -1.19 -4.84 116.55 115.51 2cqb n ASP 40 Ca -0.20 -1.31 0.06 0.00 0.52 0.00 0.00 54.79 53.86 2cqb n ASP 40 Cb 0.56 -0.62 0.04 0.00 -0.72 0.00 0.00 41.12 40.38 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 -3.10 0.00 0.00 -0.67 4.11 -1.26 -3.23 117.16 113.01 2cqb n TYR 41 Ca 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 58.00 2cqb n TYR 41 Cb 0.36 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.70 2cqb n TYR 41 CO 0.00 0.00 0.00 -0.85 -0.00 0.00 0.00 176.86 176.01 2cqb n GLU 42 N 0.43 2.87 -0.00 -3.48 -0.00 -1.26 -4.80 120.64 114.40 2cqb n GLU 42 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.23 2cqb n GLU 42 Cb 0.29 -0.98 -0.00 0.00 -0.00 0.00 0.00 31.44 30.75 2cqb n GLU 42 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.13 177.38 2cqb n THR 43 N -1.81 0.01 -2.68 3.84 -2.24 -1.26 -5.01 114.28 105.13 2cqb n THR 43 Ca 0.00 -0.01 -0.19 0.00 -2.27 0.00 0.00 64.05 61.58 2cqb n THR 43 Cb 0.35 0.08 0.00 0.00 -2.10 0.00 0.00 70.33 68.66 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 -1.65 -2.80 -4.24 -0.78 1.02 -1.20 -4.86 120.64 106.13 2cqb n GLU 44 Ca -0.00 0.78 -0.28 0.00 -0.02 0.00 0.00 57.16 57.64 2cqb n GLU 44 Cb 0.15 -5.48 -0.09 0.00 -0.02 0.00 0.00 31.44 26.00 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 -5.31 2.18 0.37 3.49 1.02 -1.26 -4.58 119.74 115.64 2cqb s LYS 45 Ca 0.12 -1.11 0.01 0.00 0.02 0.00 0.00 55.97 55.02 2cqb s LYS 45 Cb -0.06 -2.28 -0.02 0.00 -0.52 0.00 0.00 37.83 34.95 2cqb s LYS 45 CO 0.15 0.48 0.56 -3.38 -0.92 0.00 0.00 175.35 172.23 2cqb s HIS 46 N -1.47 3.37 -0.18 3.18 -3.43 -1.22 -3.18 115.29 112.36 2cqb s HIS 46 Ca 0.24 0.22 -0.09 0.00 -0.80 0.00 0.00 55.06 54.63 2cqb s HIS 46 Cb -0.10 -2.00 -0.22 0.00 -1.43 0.00 0.00 32.58 28.83 2cqb s HIS 46 CO 0.15 -0.01 0.17 -2.13 -2.00 0.00 0.00 174.74 170.92 2cqb n ARG 47 N -1.83 0.69 0.00 -0.38 0.63 -1.26 -4.98 116.66 109.53 2cqb n ARG 47 Ca -0.03 0.30 0.00 0.00 -0.92 0.00 0.00 57.85 57.21 2cqb n ARG 47 Cb 0.57 -1.66 0.00 0.00 0.45 0.00 0.00 32.46 31.81 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 1.87 -0.30 3.57 5.14 0.00 -1.26 -4.89 105.19 109.33 2cqb n GLY 48 Ca -0.36 0.08 -0.05 0.00 0.00 0.00 0.00 46.02 45.68 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 0.00 -0.22 0.08 1.61 -0.71 -1.26 -0.81 117.98 116.68 2cqb s PHE 49 Ca 0.00 0.10 -0.16 0.00 -1.04 0.00 0.00 56.93 55.82 2cqb s PHE 49 Cb 0.00 0.54 0.06 0.00 -1.21 0.00 0.00 43.02 42.41 2cqb s PHE 49 CO 0.00 -0.42 0.77 0.00 -1.34 0.00 0.00 175.22 174.22 2cqb n ALA 50 N -0.23 -2.06 -2.64 1.99 0.00 0.02 -4.25 120.51 113.34 2cqb n ALA 50 Ca -0.05 -0.66 -0.22 0.00 0.00 0.00 0.00 53.44 52.51 2cqb n ALA 50 Cb 0.60 0.30 -0.15 0.00 0.00 0.00 0.00 19.45 20.20 2cqb n ALA 50 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2cqb s PHE 51 N -3.01 1.28 -0.02 0.00 0.08 -0.85 -0.82 117.98 114.64 2cqb s PHE 51 Ca 0.17 -0.26 0.06 0.00 0.12 0.00 0.00 56.93 57.02 2cqb s PHE 51 Cb -0.01 -0.83 -0.01 0.00 -0.57 0.00 0.00 43.02 41.59 2cqb s PHE 51 CO 0.02 -0.04 -0.20 0.08 -0.10 0.00 0.00 175.22 174.98 2cqb s VAL 52 N -0.25 1.61 -0.13 -0.44 1.01 -0.09 -1.49 120.40 120.63 2cqb s VAL 52 Ca 0.04 -0.86 -0.03 0.00 0.00 0.00 0.00 61.98 61.13 2cqb s VAL 52 Cb -0.06 -1.35 -0.03 0.00 0.00 0.00 0.00 36.38 34.94 2cqb s VAL 52 CO -0.00 0.46 -0.01 -0.70 0.00 0.00 0.00 175.10 174.85 2cqb s GLU 53 N -0.35 3.40 -0.11 2.72 2.56 -0.41 0.03 118.70 126.55 2cqb s GLU 53 Ca 0.05 -0.45 -0.03 0.00 0.00 0.00 0.00 54.97 54.53 2cqb s GLU 53 Cb -0.09 -2.89 -0.03 0.00 2.00 0.00 0.00 34.13 33.11 2cqb s GLU 53 CO 0.00 0.45 0.03 -0.06 -0.56 0.00 0.00 175.26 175.12 2cqb s PHE 54 N -0.20 3.23 0.55 5.30 0.40 -0.50 -2.81 117.98 123.95 2cqb s PHE 54 Ca 0.05 0.20 0.36 0.00 -0.60 0.00 0.00 56.93 56.93 2cqb s PHE 54 Cb -0.13 -1.86 1.53 0.00 0.51 0.00 0.00 43.02 43.08 2cqb s PHE 54 CO 0.02 0.44 1.81 1.49 0.70 0.00 0.00 175.22 179.68 2cqb h GLU 55 N 5.42 0.00 -4.67 0.44 4.81 -1.90 -3.42 114.58 115.26 2cqb h GLU 55 Ca -0.48 0.00 -0.27 0.00 -0.13 0.00 0.00 59.36 58.48 2cqb h GLU 55 Cb 1.19 0.00 -0.15 0.00 0.63 0.00 0.00 28.75 30.43 2cqb h GLU 55 CO 0.57 0.00 -0.64 -0.51 -0.73 0.00 0.00 179.01 177.71 2cqb s LEU 56 N -8.27 1.65 -0.13 1.64 1.43 -1.26 -5.08 118.68 108.66 2cqb s LEU 56 Ca -0.05 -1.29 -0.29 0.00 -1.03 0.00 0.00 54.13 51.47 2cqb s LEU 56 Cb 0.22 0.17 -0.26 0.00 0.03 0.00 0.00 46.19 46.35 2cqb s LEU 56 CO 0.78 -0.72 0.79 0.00 0.23 0.00 0.00 176.35 177.43 2cqb h ALA 57 N 2.64 -0.00 -0.56 4.21 0.00 -1.81 -3.24 119.26 120.50 2cqb h ALA 57 Ca -0.36 -0.48 0.11 0.00 0.00 0.00 0.00 54.91 54.17 2cqb h ALA 57 Cb 1.23 0.00 -0.11 0.00 0.00 0.00 0.00 17.79 18.90 2cqb h ALA 57 CO 0.59 -0.01 -0.23 1.05 0.00 0.00 0.00 179.25 180.64 2cqb h GLU 58 N -0.98 -0.09 -0.58 0.00 4.11 -1.98 0.26 114.58 115.33 2cqb h GLU 58 Ca -0.00 0.01 0.09 0.00 0.07 0.00 0.00 59.36 59.53 2cqb h GLU 58 Cb 0.97 0.02 -0.07 0.00 0.50 0.00 0.00 28.75 30.17 2cqb h GLU 58 CO 0.00 -0.06 0.19 -0.44 0.07 0.00 0.00 179.01 178.77 2cqb h ASP 59 N -0.09 0.16 0.02 3.06 3.32 -1.95 -2.12 116.42 118.83 2cqb h ASP 59 Ca 0.26 0.08 0.03 0.00 0.02 0.00 0.00 57.03 57.42 2cqb h ASP 59 Cb 0.50 0.08 -0.04 0.00 0.22 0.00 0.00 39.33 40.08 2cqb h ASP 59 CO -0.62 0.10 -0.24 0.00 -1.72 0.00 0.00 179.24 176.76 2cqb h ALA 60 N 1.41 -0.33 -0.70 3.45 0.00 -1.00 -1.19 119.26 120.90 2cqb h ALA 60 Ca 0.29 -0.01 0.13 0.00 0.00 0.00 0.00 54.91 55.33 2cqb h ALA 60 Cb 0.37 0.41 -0.09 0.00 0.00 0.00 0.00 17.79 18.48 2cqb h ALA 60 CO -0.31 -0.74 0.24 0.00 0.00 0.00 0.00 179.25 178.43 2cqb h ALA 61 N 0.45 0.94 -0.89 0.00 0.00 -0.79 -0.02 119.26 118.94 2cqb h ALA 61 Ca 0.06 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 2cqb h ALA 61 Cb 0.46 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.33 2cqb h ALA 61 CO -0.20 -0.25 0.52 0.00 0.00 0.00 0.00 179.25 179.32 2cqb h ALA 62 N 1.53 1.24 -0.89 0.00 0.00 -0.81 -2.04 119.26 118.29 2cqb h ALA 62 Ca 0.38 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 2cqb h ALA 62 Cb 0.58 -0.36 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 2cqb h ALA 62 CO -0.41 0.64 0.50 0.00 0.00 0.00 0.00 179.25 179.98 2cqb h ALA 63 N 1.34 1.14 0.54 0.00 0.00 0.18 -3.01 119.26 119.45 2cqb h ALA 63 Ca 0.32 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 2cqb h ALA 63 Cb -0.02 -0.36 0.01 0.00 0.00 0.00 0.00 17.79 17.42 2cqb h ALA 63 CO -0.06 0.64 -0.26 0.82 0.00 0.00 0.00 179.25 180.39 2cqb h ILE 64 N 1.24 0.00 -1.07 0.00 2.04 -0.87 0.78 117.51 119.63 2cqb h ILE 64 Ca 0.32 -0.24 0.31 0.00 1.00 0.00 0.00 64.86 66.24 2cqb h ILE 64 Cb 0.01 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.05 2cqb h ILE 64 CO -0.05 0.00 1.23 -0.67 0.00 0.00 0.00 178.15 178.66 2cqb n ASP 65 N -4.63 0.00 0.00 1.72 2.03 -0.81 -0.64 116.55 114.21 2cqb n ASP 65 Ca -0.09 0.77 0.00 0.00 0.52 0.00 0.00 54.79 55.99 2cqb n ASP 65 Cb 0.29 -0.27 0.00 0.00 -0.72 0.00 0.00 41.12 40.42 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 -3.26 0.00 -0.25 1.67 3.02 -1.11 -4.65 115.26 110.67 2cqb n ASN 66 Ca 0.24 0.00 0.07 0.00 -0.03 0.00 0.00 54.58 54.86 2cqb n ASN 66 Cb 1.56 -0.24 0.14 0.00 -0.61 0.00 0.00 39.78 40.63 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 -2.03 -0.06 -1.15 3.52 2.81 0.27 -4.46 117.12 116.02 2cqb n MET 67 Ca 0.00 1.10 -0.48 0.00 -1.81 0.00 0.00 57.70 56.51 2cqb n MET 67 Cb 0.00 -1.68 -0.08 0.00 -0.71 0.00 0.00 33.22 30.75 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 -5.09 0.77 -2.82 7.83 6.94 0.19 0.14 115.26 123.21 2cqb n ASN 68 Ca 0.14 0.74 -0.17 0.00 -0.02 0.00 0.00 54.58 55.27 2cqb n ASN 68 Cb 0.43 -0.66 0.06 0.00 -2.36 0.00 0.00 39.78 37.26 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 3.92 -5.73 -2.69 -3.83 1.02 -1.18 -4.95 120.64 107.20 2cqb n GLU 69 Ca 0.30 0.63 -0.22 0.00 -0.02 0.00 0.00 57.16 57.84 2cqb n GLU 69 Cb -0.04 -5.03 0.07 0.00 -0.02 0.00 0.00 31.44 26.42 2cqb n GLU 69 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 2cqb s SER 70 N -3.44 4.84 -0.32 1.62 1.04 0.38 -4.90 113.70 112.93 2cqb s SER 70 Ca 0.33 -0.32 -0.08 0.00 0.48 0.00 0.00 55.95 56.36 2cqb s SER 70 Cb -0.15 -0.29 0.02 0.00 0.10 0.00 0.00 66.02 65.70 2cqb s SER 70 CO 0.55 -1.48 0.11 -0.70 0.98 0.00 0.00 173.24 172.69 2cqb s GLU 71 N -4.90 2.99 -0.11 4.02 2.12 -1.26 -2.51 118.70 119.06 2cqb s GLU 71 Ca 0.62 -0.93 0.01 0.00 0.36 0.00 0.00 54.97 55.02 2cqb s GLU 71 Cb -0.07 -3.45 0.02 0.00 0.26 0.00 0.00 34.13 30.88 2cqb s GLU 71 CO 0.41 -0.52 -0.11 -1.17 -0.54 0.00 0.00 175.26 173.33 2cqb s LEU 72 N 1.50 1.48 -1.47 2.70 2.96 0.90 -4.78 118.68 121.98 2cqb s LEU 72 Ca 0.02 -0.35 -0.10 0.00 -0.22 0.00 0.00 54.13 53.48 2cqb s LEU 72 Cb -0.18 -0.94 0.06 0.00 0.50 0.00 0.00 46.19 45.63 2cqb s LEU 72 CO 0.03 -0.04 0.92 0.49 -1.32 0.00 0.00 176.35 176.43 2cqb n PHE 73 N 4.48 -2.23 -2.76 5.38 3.01 -1.26 -1.07 117.46 123.02 2cqb n PHE 73 Ca -0.17 0.89 -0.18 0.00 1.01 0.00 0.00 57.45 59.00 2cqb n PHE 73 Cb 0.51 -4.14 0.02 0.00 -0.01 0.00 0.00 39.48 35.86 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 -1.68 -0.31 3.28 1.37 0.00 -1.26 -5.00 105.19 101.59 2cqb n GLY 74 Ca -0.05 -0.07 -0.10 0.00 0.00 0.00 0.00 46.02 45.80 2cqb n GLY 74 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2cqb s ARG 75 N -5.35 1.11 -0.42 1.61 0.52 -0.23 -5.13 118.95 111.06 2cqb s ARG 75 Ca 0.19 -1.30 -0.10 0.00 -0.52 0.00 0.00 55.73 54.00 2cqb s ARG 75 Cb -0.09 0.33 0.07 0.00 0.52 0.00 0.00 34.95 35.79 2cqb s ARG 75 CO 0.24 -0.38 0.27 0.99 0.02 0.00 0.00 175.30 176.44 2cqb s THR 76 N -4.01 4.39 0.66 0.02 2.01 -1.26 -0.07 115.64 117.38 2cqb s THR 76 Ca 0.21 -1.30 -0.02 0.00 0.31 0.00 0.00 61.69 60.89 2cqb s THR 76 Cb 0.05 -3.65 0.08 0.00 0.01 0.00 0.00 72.50 68.98 2cqb s THR 76 CO 0.02 -0.49 0.93 0.27 -0.69 0.00 0.00 174.62 174.66 2cqb s ILE 77 N 1.46 2.36 -0.01 1.82 -4.36 -1.04 -4.80 121.20 116.63 2cqb s ILE 77 Ca 0.03 -0.53 0.04 0.00 -0.26 0.00 0.00 60.65 59.94 2cqb s ILE 77 Cb -0.23 -2.83 -0.01 0.00 1.25 0.00 0.00 42.46 40.64 2cqb s ILE 77 CO 0.03 0.00 -0.14 -0.13 0.24 0.00 0.00 174.94 174.94 2cqb s ARG 78 N -5.06 1.18 -0.09 0.37 1.81 -0.52 -3.09 118.95 113.55 2cqb s ARG 78 Ca 0.62 -0.50 0.02 0.00 -1.72 0.00 0.00 55.73 54.15 2cqb s ARG 78 Cb -0.08 -1.13 0.01 0.00 -0.45 0.00 0.00 34.95 33.31 2cqb s ARG 78 CO 0.43 0.29 -0.14 0.08 -0.68 0.00 0.00 175.30 175.27 2cqb s VAL 79 N -0.26 1.36 0.17 3.52 1.01 -1.26 -1.44 120.40 123.50 2cqb s VAL 79 Ca 0.04 -0.58 -0.21 0.00 0.00 0.00 0.00 61.98 61.23 2cqb s VAL 79 Cb -0.06 -1.25 0.06 0.00 0.00 0.00 0.00 36.38 35.13 2cqb s VAL 79 CO -0.00 0.41 0.57 0.21 0.00 0.00 0.00 175.10 176.29 2cqb s ASN 80 N 0.89 -0.48 0.14 3.32 2.47 -0.85 -4.64 114.94 115.79 2cqb s ASN 80 Ca -0.09 -0.13 -0.35 0.00 0.42 0.00 0.00 52.86 52.71 2cqb s ASN 80 Cb -0.15 0.59 -0.15 0.00 -1.45 0.00 0.00 41.25 40.08 2cqb s ASN 80 CO 0.01 -0.99 1.40 0.18 -3.72 0.00 0.00 177.10 173.98 2cqb n LEU 81 N -0.36 2.22 -4.40 3.21 4.77 -1.26 0.04 117.00 121.21 2cqb n LEU 81 Ca -0.15 1.11 -0.51 0.00 -0.03 0.00 0.00 56.01 56.43 2cqb n LEU 81 Cb 0.64 -1.29 -0.09 0.00 -2.33 0.00 0.00 43.42 40.35 2cqb n LEU 81 CO 0.13 -0.79 1.87 0.00 -1.33 0.00 0.00 177.39 177.27 2cqb n ALA 82 N 2.60 0.69 -1.32 -1.18 0.00 -1.08 -4.67 120.51 115.56 2cqb n ALA 82 Ca 0.17 -0.09 -0.37 0.00 0.00 0.00 0.00 53.44 53.15 2cqb n ALA 82 Cb 0.24 -2.43 0.06 0.00 0.00 0.00 0.00 19.45 17.32 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 8.11 0.35 -2.06 0.00 2.85 -1.26 -4.82 118.16 121.33 2cqb n LYS 83 Ca 0.49 0.15 -0.40 0.00 -1.05 0.00 0.00 58.31 57.49 2cqb n LYS 83 Cb 0.15 -1.75 -0.03 0.00 -0.65 0.00 0.00 35.03 32.75 2cqb n LYS 83 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 177.40 176.10 2cqb s PRO 84 N -2.49 2.97 0.64 -1.58 0.04 -1.26 -4.98 135.00 128.35 2cqb s PRO 84 Ca 0.66 0.92 -0.17 0.00 0.04 0.00 0.00 61.00 62.44 2cqb s PRO 84 Cb -0.38 -4.28 -0.01 0.00 0.04 0.00 0.00 34.50 29.87 2cqb s PRO 84 CO 0.58 -2.31 1.22 1.41 0.04 0.00 0.00 177.00 177.93 2cqb s MET 85 N 6.34 2.68 -0.09 4.56 1.75 -1.26 -5.04 119.30 128.24 2cqb s MET 85 Ca 0.71 1.83 -0.03 0.00 -1.25 0.00 0.00 55.69 56.94 2cqb s MET 85 Cb -0.16 -1.89 0.05 0.00 2.84 0.00 0.00 34.83 35.67 2cqb s MET 85 CO 0.26 -1.44 0.16 1.03 -0.65 0.00 0.00 175.02 174.38 2cqb s ARG 86 N -3.53 0.04 0.33 4.11 0.52 -1.26 -5.16 118.95 114.00 2cqb s ARG 86 Ca 0.77 0.52 0.09 0.00 -0.52 0.00 0.00 55.73 56.58 2cqb s ARG 86 Cb -0.31 -0.38 -0.04 0.00 0.52 0.00 0.00 34.95 34.74 2cqb s ARG 86 CO 0.38 -0.34 0.09 0.96 0.02 0.00 0.00 175.30 176.41 2cqb s ILE 87 N 2.29 3.03 0.85 1.52 -0.00 -1.26 -5.14 121.20 122.49 2cqb s ILE 87 Ca 0.03 -1.79 -0.11 0.00 -0.00 0.00 0.00 60.65 58.79 2cqb s ILE 87 Cb -0.12 -2.92 0.15 0.00 -0.00 0.00 0.00 42.46 39.57 2cqb s ILE 87 CO -0.06 -0.22 1.19 -1.59 -0.00 0.00 0.00 174.94 174.26 2cqb s LYS 88 N -3.79 1.25 -0.18 0.37 0.00 -1.26 -5.11 119.74 111.02 2cqb s LYS 88 Ca 0.36 -0.48 -0.23 0.00 0.00 0.00 0.00 55.97 55.62 2cqb s LYS 88 Cb -0.03 -2.01 0.06 0.00 0.00 0.00 0.00 37.83 35.85 2cqb s LYS 88 CO 0.21 -1.94 0.61 -2.00 0.00 0.00 0.00 175.35 172.24 2cqb s GLU 89 N -5.60 0.79 -0.03 1.78 2.12 -1.26 -5.16 118.70 111.34 2cqb s GLU 89 Ca 0.69 0.66 0.01 0.00 0.36 0.00 0.00 54.97 56.68 2cqb s GLU 89 Cb -0.06 0.38 0.02 0.00 0.26 0.00 0.00 34.13 34.73 2cqb s GLU 89 CO 0.49 -0.15 -0.03 0.45 -0.54 0.00 0.00 175.26 175.49 2cqb s SER 90 N -0.12 0.65 -0.44 -1.70 0.15 -1.26 -5.09 113.70 105.89 2cqb s SER 90 Ca -0.03 -0.08 0.03 0.00 0.70 0.00 0.00 55.95 56.57 2cqb s SER 90 Cb -0.03 -0.29 0.19 0.00 -1.71 0.00 0.00 66.02 64.17 2cqb s SER 90 CO 0.03 -0.05 0.79 -0.83 1.20 0.00 0.00 173.24 174.38 2cqb s GLY 91 N 0.78 -1.40 0.95 9.45 0.00 -1.26 -5.16 107.32 110.69 2cqb s GLY 91 Ca -0.09 0.10 -0.12 0.00 0.00 0.00 0.00 44.72 44.61 2cqb s GLY 91 CO -0.01 3.83 1.09 2.56 0.00 0.00 0.00 173.10 180.58 2cqb s PRO 92 N 1.28 0.79 -0.46 2.90 0.04 -1.26 -5.04 135.00 133.26 2cqb s PRO 92 Ca 0.23 0.66 0.03 0.00 0.04 0.00 0.00 61.00 61.96 2cqb s PRO 92 Cb 0.01 -1.77 0.13 0.00 0.04 0.00 0.00 34.50 32.92 2cqb s PRO 92 CO -0.07 -2.52 0.24 -1.54 0.04 0.00 0.00 177.00 173.15 2cqb s SER 93 N -3.44 3.85 -0.30 6.66 1.04 -1.26 -5.03 113.70 115.23 2cqb s SER 93 Ca 0.64 -2.73 -0.06 0.00 0.48 0.00 0.00 55.95 54.29 2cqb s SER 93 Cb -0.18 -1.21 0.19 0.00 0.10 0.00 0.00 66.02 64.91 2cqb s SER 93 CO 0.57 -0.26 0.82 -0.55 0.98 0.00 0.00 173.24 174.81 2cqb s SER 94 N 0.17 -0.96 0.00 7.02 0.15 -1.26 -5.40 113.70 113.43 2cqb s SER 94 Ca 0.17 0.44 0.00 0.00 0.70 0.00 0.00 55.95 57.27 2cqb s SER 94 Cb -0.25 1.74 0.00 0.00 -1.71 0.00 0.00 66.02 65.80 2cqb s SER 94 CO 0.00 -0.18 0.00 0.61 1.20 0.00 0.00 173.24 174.88