#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cqb n SER -5 N 0.00 0.67 -4.57 1.61 3.41 -1.26 -4.96 113.62 108.52 2cqb n SER -5 Ca 0.00 1.15 -0.27 0.00 -0.26 0.00 0.00 58.87 59.49 2cqb n SER -5 Cb 0.00 -1.00 -0.11 0.00 -0.26 0.00 0.00 64.21 62.84 2cqb n SER -5 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2cqb s SER -4 N 0.52 3.80 0.00 4.04 0.01 -1.26 -5.05 113.70 115.77 2cqb s SER -4 Ca 0.90 -1.24 0.00 0.00 1.31 0.00 0.00 55.95 56.92 2cqb s SER -4 Cb -1.19 -0.37 0.00 0.00 0.21 0.00 0.00 66.02 64.67 2cqb s SER -4 CO 0.56 -0.28 0.00 0.61 0.41 0.00 0.00 173.24 174.54 2cqb n GLY -3 N -0.86 -0.90 3.73 3.44 0.00 -1.26 -5.16 105.19 104.18 2cqb n GLY -3 Ca -0.05 0.15 -0.34 0.00 0.00 0.00 0.00 46.02 45.77 2cqb n GLY -3 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cqb s SER -2 N 0.00 5.46 0.03 1.61 0.01 -1.26 -5.11 113.70 114.44 2cqb s SER -2 Ca 0.00 0.17 -0.08 0.00 1.31 0.00 0.00 55.95 57.35 2cqb s SER -2 Cb 0.00 -1.57 -0.05 0.00 0.21 0.00 0.00 66.02 64.61 2cqb s SER -2 CO 0.00 0.35 0.32 -0.94 0.41 0.00 0.00 173.24 173.38 2cqb s SER -1 N -1.16 6.57 0.00 2.44 1.04 -1.26 -5.00 113.70 116.32 2cqb s SER -1 Ca 0.16 0.67 0.00 0.00 0.48 0.00 0.00 55.95 57.26 2cqb s SER -1 Cb -0.12 -2.13 0.00 0.00 0.10 0.00 0.00 66.02 63.87 2cqb s SER -1 CO 0.06 0.24 0.00 0.61 0.98 0.00 0.00 173.24 175.13 2cqb n GLY 0 N 1.15 0.89 3.08 7.32 0.00 -1.26 -5.14 105.19 111.22 2cqb n GLY 0 Ca -0.11 0.27 -0.28 0.00 0.00 0.00 0.00 46.02 45.90 2cqb n GLY 0 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2cqb s MET 1 N 1.56 2.27 0.16 1.61 0.00 -1.26 -5.13 119.30 118.51 2cqb s MET 1 Ca 0.00 -0.59 -0.03 0.00 0.00 0.00 0.00 55.69 55.07 2cqb s MET 1 Cb 0.00 -1.88 -0.03 0.00 0.00 0.00 0.00 34.83 32.92 2cqb s MET 1 CO 0.00 -0.02 0.14 0.00 0.00 0.00 0.00 175.02 175.14 2cqb s ALA 2 N 0.85 0.75 0.00 3.16 0.00 -1.26 -5.08 121.76 120.18 2cqb s ALA 2 Ca -0.09 -1.41 0.00 0.00 0.00 0.00 0.00 51.96 50.46 2cqb s ALA 2 Cb -0.15 1.02 0.00 0.00 0.00 0.00 0.00 23.12 23.99 2cqb s ALA 2 CO 0.01 -0.56 0.00 -2.37 0.00 0.00 0.00 175.76 172.83 2cqb n THR 3 N -0.18 0.00 -3.24 0.00 5.66 -1.26 -5.09 114.28 110.17 2cqb n THR 3 Ca -0.04 0.00 0.03 0.00 -3.05 0.00 0.00 64.05 61.00 2cqb n THR 3 Cb 0.64 -0.39 -0.02 0.00 -1.55 0.00 0.00 70.33 69.01 2cqb n THR 3 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 2cqb s THR 4 N -1.56 -0.70 -0.46 1.09 -4.23 -1.26 -5.02 115.64 103.50 2cqb s THR 4 Ca 0.00 0.00 0.03 0.00 -1.18 0.00 0.00 61.69 60.54 2cqb s THR 4 Cb 0.00 -1.00 0.25 0.00 1.34 0.00 0.00 72.50 73.09 2cqb s THR 4 CO 0.00 0.00 1.10 0.29 -0.54 0.00 0.00 174.62 175.47 2cqb n LYS 5 N 5.37 1.86 -0.11 3.99 4.01 -1.26 -3.79 118.16 128.24 2cqb n LYS 5 Ca -0.05 -1.02 -0.17 0.00 -0.51 0.00 0.00 58.31 56.55 2cqb n LYS 5 Cb 0.52 -1.58 -0.13 0.00 -0.51 0.00 0.00 35.03 33.34 2cqb n LYS 5 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 2cqb n ARG 6 N 0.09 0.67 -2.46 1.97 1.74 -1.26 -4.52 116.66 112.88 2cqb n ARG 6 Ca 0.14 0.15 -0.43 0.00 -0.77 0.00 0.00 57.85 56.94 2cqb n ARG 6 Cb 0.72 -1.54 -0.02 0.00 -1.02 0.00 0.00 32.46 30.60 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 -2.52 4.31 -0.14 1.55 1.01 -1.25 -2.36 120.40 120.99 2cqb s VAL 7 Ca -0.31 1.55 -0.04 0.00 0.00 0.00 0.00 61.98 63.19 2cqb s VAL 7 Cb 0.08 -4.10 -0.03 0.00 0.00 0.00 0.00 36.38 32.34 2cqb s VAL 7 CO 0.64 -0.24 -0.02 -0.76 0.00 0.00 0.00 175.10 174.72 2cqb s LEU 8 N 3.70 3.39 -0.20 3.92 1.43 0.59 -2.02 118.68 129.48 2cqb s LEU 8 Ca 0.53 -0.04 -0.18 0.00 -1.03 0.00 0.00 54.13 53.41 2cqb s LEU 8 Cb -0.19 -1.81 -0.03 0.00 0.03 0.00 0.00 46.19 44.18 2cqb s LEU 8 CO 0.16 0.22 0.51 -0.47 0.23 0.00 0.00 176.35 177.00 2cqb s TYR 9 N 0.09 3.38 -0.08 0.29 6.14 0.13 -1.48 117.35 125.81 2cqb s TYR 9 Ca 0.01 0.77 0.01 0.00 0.64 0.00 0.00 57.07 58.50 2cqb s TYR 9 Cb -0.13 -2.66 -0.03 0.00 0.42 0.00 0.00 41.96 39.56 2cqb s TYR 9 CO 0.02 -0.09 -0.09 0.08 0.64 0.00 0.00 175.55 176.11 2cqb s VAL 10 N 1.60 3.47 0.29 3.14 1.01 -0.19 -1.72 120.40 128.00 2cqb s VAL 10 Ca 0.24 -0.56 0.03 0.00 0.00 0.00 0.00 61.98 61.69 2cqb s VAL 10 Cb -0.15 -2.42 -0.04 0.00 0.00 0.00 0.00 36.38 33.77 2cqb s VAL 10 CO 0.10 0.58 0.16 -0.83 0.00 0.00 0.00 175.10 175.10 2cqb s GLY 11 N -0.57 1.99 -1.51 4.51 0.00 0.55 -1.69 107.32 110.60 2cqb s GLY 11 Ca 0.08 -1.78 -0.03 0.00 0.00 0.00 0.00 44.72 43.00 2cqb s GLY 11 CO 0.02 -1.56 0.33 0.61 0.00 0.00 0.00 173.10 172.49 2cqb n GLY 12 N -0.55 -0.42 3.95 0.20 0.00 -0.77 -1.48 105.19 106.12 2cqb n GLY 12 Ca 0.01 -0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 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 -5.87 2.78 0.00 0.99 1.43 -1.06 -4.21 118.68 112.74 2cqb s LEU 13 Ca 0.16 0.08 -0.03 0.00 -1.03 0.00 0.00 54.13 53.31 2cqb s LEU 13 Cb -0.07 -2.10 0.14 0.00 0.03 0.00 0.00 46.19 44.19 2cqb s LEU 13 CO 0.20 -2.71 0.95 0.00 0.23 0.00 0.00 176.35 175.03 2cqb n ALA 14 N -3.68 -0.15 0.17 4.21 0.00 -1.26 -4.78 120.51 115.03 2cqb n ALA 14 Ca 0.16 -1.71 0.12 0.00 0.00 0.00 0.00 53.44 52.01 2cqb n ALA 14 Cb 0.59 0.21 0.07 0.00 0.00 0.00 0.00 19.45 20.33 2cqb n ALA 14 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 2cqb h GLU 15 N 0.00 0.00 0.00 0.00 4.11 -1.96 -3.31 114.58 113.42 2cqb h GLU 15 Ca -0.31 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.12 2cqb h GLU 15 Cb 1.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.33 2cqb h GLU 15 CO 0.31 0.00 -1.63 0.39 0.07 0.00 0.00 179.01 178.15 2cqb n GLU 16 N -2.79 0.59 -2.14 1.06 1.02 -1.26 -4.93 120.64 112.18 2cqb n GLU 16 Ca 0.02 -0.09 -0.42 0.00 -0.02 0.00 0.00 57.16 56.65 2cqb n GLU 16 Cb 0.54 -1.60 -0.03 0.00 -0.02 0.00 0.00 31.44 30.32 2cqb n GLU 16 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2cqb s VAL 17 N -3.43 3.06 0.36 2.62 1.01 -1.25 -4.88 120.40 117.88 2cqb s VAL 17 Ca -0.05 0.84 -0.04 0.00 0.00 0.00 0.00 61.98 62.74 2cqb s VAL 17 Cb 0.13 -3.54 0.02 0.00 0.00 0.00 0.00 36.38 32.99 2cqb s VAL 17 CO 0.87 0.11 0.53 0.47 0.00 0.00 0.00 175.10 177.08 2cqb n ASP 18 N 2.97 -1.50 -0.48 3.32 9.92 -1.26 -4.82 116.55 124.70 2cqb n ASP 18 Ca 0.08 -2.85 0.40 0.00 -0.53 0.00 0.00 54.79 51.88 2cqb n ASP 18 Cb 0.42 2.74 0.68 0.00 -0.64 0.00 0.00 41.12 44.32 2cqb n ASP 18 CO 0.00 0.00 0.00 -2.24 0.13 0.00 0.00 177.20 175.09 2cqb h ASP 19 N 1.98 0.20 0.46 -2.24 3.04 -1.94 0.22 116.42 118.13 2cqb h ASP 19 Ca -0.28 0.12 -0.02 0.00 -3.24 0.00 0.00 57.03 53.60 2cqb h ASP 19 Cb 1.20 0.11 0.00 0.00 -1.04 0.00 0.00 39.33 39.60 2cqb h ASP 19 CO 0.38 -0.16 -0.22 0.11 -2.04 0.00 0.00 179.24 177.30 2cqb h LYS 20 N 0.06 -0.59 -0.70 4.15 6.56 -1.96 -0.02 116.57 124.06 2cqb h LYS 20 Ca 0.84 0.04 0.11 0.00 -1.06 0.00 0.00 60.65 60.58 2cqb h LYS 20 Cb 2.76 0.13 -0.08 0.00 -0.57 0.00 0.00 32.23 34.48 2cqb h LYS 20 CO -0.36 -0.40 0.30 0.28 -2.06 0.00 0.00 179.45 177.22 2cqb h VAL 21 N -0.97 0.76 -0.36 0.50 2.07 -1.32 -0.42 116.25 116.52 2cqb h VAL 21 Ca -0.06 -0.17 -0.08 0.00 0.82 0.00 0.00 66.70 67.21 2cqb h VAL 21 Cb 0.47 0.22 -0.02 0.00 -1.52 0.00 0.00 31.29 30.45 2cqb h VAL 21 CO 0.10 0.09 -0.10 -0.07 0.02 0.00 0.00 177.57 177.61 2cqb h LEU 22 N 0.50 0.60 0.35 2.57 3.38 -0.74 -1.15 115.31 120.82 2cqb h LEU 22 Ca 0.36 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 58.15 2cqb h LEU 22 Cb 0.46 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.05 2cqb h LEU 22 CO -0.32 0.74 -0.17 -0.74 0.09 0.00 0.00 178.44 178.04 2cqb h HIS 23 N 0.57 -0.44 0.00 1.13 2.76 0.64 0.13 115.15 119.94 2cqb h HIS 23 Ca 0.10 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.26 2cqb h HIS 23 Cb 0.52 0.15 0.00 0.00 1.55 0.00 0.00 27.41 29.62 2cqb h HIS 23 CO 0.02 -0.24 0.00 0.00 -1.30 0.00 0.00 177.93 176.42 2cqb h ALA 24 N 0.09 1.00 0.00 5.26 0.00 -1.26 0.57 119.26 124.92 2cqb h ALA 24 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2cqb h ALA 24 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2cqb h ALA 24 CO 0.08 0.00 -0.92 0.00 0.00 0.00 0.00 179.25 178.41 2cqb h ALA 25 N 2.20 0.53 -0.00 0.00 0.00 -0.67 -3.35 119.26 117.97 2cqb h ALA 25 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2cqb h ALA 25 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2cqb h ALA 25 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 179.25 180.44 2cqb n PHE 26 N -2.68 0.00 0.14 0.00 3.01 0.42 -4.64 117.46 113.70 2cqb n PHE 26 Ca 0.00 -0.01 0.07 0.00 1.01 0.00 0.00 57.45 58.52 2cqb n PHE 26 Cb 0.54 -0.00 0.55 0.00 -0.01 0.00 0.00 39.48 40.56 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 0.50 1.04 0.94 4.37 6.09 -0.01 -3.05 117.51 127.38 2cqb h ILE 27 Ca 0.00 -0.08 -0.05 0.00 -1.37 0.00 0.00 64.86 63.36 2cqb h ILE 27 Cb 0.11 0.77 0.01 0.00 0.47 0.00 0.00 36.82 38.18 2cqb h ILE 27 CO 0.00 0.04 -0.45 -0.65 -3.07 0.00 0.00 178.15 174.02 2cqb h PRO 28 N 0.25 -1.22 -0.34 2.19 0.11 -1.82 -3.28 132.00 127.89 2cqb h PRO 28 Ca 0.07 0.08 0.03 0.00 0.11 0.00 0.00 66.00 66.30 2cqb h PRO 28 Cb 0.00 0.28 -0.04 0.00 0.11 0.00 0.00 31.00 31.35 2cqb h PRO 28 CO -0.02 -0.81 -0.20 1.19 -0.21 0.00 0.00 178.00 177.95 2cqb n PHE 29 N -5.63 -0.15 -1.06 0.65 3.72 -1.15 -4.85 117.46 108.99 2cqb n PHE 29 Ca -0.16 0.42 0.00 0.00 -0.05 0.00 0.00 57.45 57.66 2cqb n PHE 29 Cb 0.50 -0.49 0.00 0.00 -0.94 0.00 0.00 39.48 38.55 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 -1.08 4.88 3.08 1.37 0.00 -1.24 -5.04 105.19 107.16 2cqb n GLY 30 Ca 0.01 -0.82 -0.36 0.00 0.00 0.00 0.00 46.02 44.85 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 1.33 5.15 -0.18 1.61 1.01 -1.26 -4.63 116.67 119.69 2cqb s ASP 31 Ca 0.00 -2.77 -0.38 0.00 0.71 0.00 0.00 52.55 50.11 2cqb s ASP 31 Cb 0.00 -1.83 -0.15 0.00 1.01 0.00 0.00 42.92 41.96 2cqb s ASP 31 CO 0.00 -0.38 1.75 -0.38 0.21 0.00 0.00 175.17 176.38 2cqb n ILE 32 N 3.58 0.36 0.03 0.77 5.41 -1.26 -3.50 119.36 124.74 2cqb n ILE 32 Ca 0.06 -0.06 -0.20 0.00 1.00 0.00 0.00 62.75 63.55 2cqb n ILE 32 Cb 0.38 -1.40 -0.14 0.00 -0.71 0.00 0.00 39.64 37.77 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 5.11 1.34 -2.04 1.39 1.35 -1.80 -3.48 112.91 114.78 2cqb h THR 33 Ca -0.47 -2.47 -0.03 0.00 -0.55 0.00 0.00 66.41 62.89 2cqb h THR 33 Cb 1.30 3.02 -0.19 0.00 -1.73 0.00 0.00 68.15 70.55 2cqb h THR 33 CO 0.94 0.69 0.25 -1.81 -0.25 0.00 0.00 175.52 175.35 2cqb s ASP 34 N -6.96 -0.60 0.11 5.36 1.01 -1.26 -5.06 116.67 109.27 2cqb s ASP 34 Ca -0.16 0.58 0.07 0.00 0.71 0.00 0.00 52.55 53.75 2cqb s ASP 34 Cb 0.02 0.51 -0.04 0.00 1.01 0.00 0.00 42.92 44.42 2cqb s ASP 34 CO 0.79 -0.60 -0.18 -0.63 0.21 0.00 0.00 175.17 174.76 2cqb s ILE 35 N -1.48 1.56 -0.06 0.77 1.01 -1.26 -1.70 121.20 120.03 2cqb s ILE 35 Ca -0.08 -1.57 0.02 0.00 0.00 0.00 0.00 60.65 59.02 2cqb s ILE 35 Cb -0.00 -1.49 0.02 0.00 0.01 0.00 0.00 42.46 40.99 2cqb s ILE 35 CO 0.06 -0.18 -0.09 -1.10 0.00 0.00 0.00 174.94 173.63 2cqb s GLN 36 N -2.10 1.39 -0.19 2.79 1.11 -0.67 -5.04 119.66 116.95 2cqb s GLN 36 Ca 0.06 -0.30 0.01 0.00 0.01 0.00 0.00 55.36 55.14 2cqb s GLN 36 Cb -0.09 -1.23 0.02 0.00 -1.01 0.00 0.00 33.01 30.71 2cqb s GLN 36 CO 0.04 -0.03 -0.18 0.42 0.01 0.00 0.00 175.29 175.55 2cqb s ILE 37 N 0.82 2.20 -0.08 1.08 -1.09 -1.26 -2.13 121.20 120.74 2cqb s ILE 37 Ca -0.12 -0.94 -0.30 0.00 -2.23 0.00 0.00 60.65 57.06 2cqb s ILE 37 Cb -0.15 -1.95 -0.04 0.00 -1.58 0.00 0.00 42.46 38.73 2cqb s ILE 37 CO 0.02 0.49 1.51 -2.16 -1.23 0.00 0.00 174.94 173.57 2cqb s PRO 38 N 1.30 4.21 0.11 2.79 0.04 -1.26 -5.00 135.00 137.18 2cqb s PRO 38 Ca 0.04 2.01 -0.02 0.00 0.04 0.00 0.00 61.00 63.08 2cqb s PRO 38 Cb -0.14 -3.87 -0.04 0.00 0.04 0.00 0.00 34.50 30.49 2cqb s PRO 38 CO -0.12 -0.78 0.05 -0.51 0.04 0.00 0.00 177.00 175.69 2cqb s LEU 39 N 3.69 1.90 0.00 -3.56 1.43 -1.26 -4.15 118.68 116.74 2cqb s LEU 39 Ca 0.67 -1.12 0.01 0.00 -1.03 0.00 0.00 54.13 52.66 2cqb s LEU 39 Cb -0.30 0.34 0.10 0.00 0.03 0.00 0.00 46.19 46.36 2cqb s LEU 39 CO 0.25 -0.71 0.70 -0.67 0.23 0.00 0.00 176.35 176.15 2cqb n ASP 40 N -0.05 1.09 -0.00 2.29 2.03 -1.26 -4.87 116.55 115.78 2cqb n ASP 40 Ca -0.08 -1.88 0.08 0.00 0.52 0.00 0.00 54.79 53.42 2cqb n ASP 40 Cb 0.63 -0.44 -0.10 0.00 -0.72 0.00 0.00 41.12 40.49 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 -2.35 0.00 -0.01 -0.67 4.11 -1.26 -2.58 117.16 114.40 2cqb n TYR 41 Ca 0.12 0.00 0.06 0.00 -0.00 0.00 0.00 57.90 58.08 2cqb n TYR 41 Cb 0.43 -0.12 -0.09 0.00 -0.00 0.00 0.00 39.34 39.56 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 -1.59 0.39 0.00 -3.48 -0.58 -1.26 -4.70 120.64 109.42 2cqb n GLU 42 Ca 0.01 -0.11 0.00 0.00 -0.42 0.00 0.00 57.16 56.64 2cqb n GLU 42 Cb 0.30 -1.29 0.00 0.00 -0.57 0.00 0.00 31.44 29.88 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 -1.93 0.00 -2.55 2.62 -2.24 -1.26 -5.01 114.28 103.91 2cqb n THR 43 Ca -0.02 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.66 2cqb n THR 43 Cb 0.32 -0.46 -0.00 0.00 -2.10 0.00 0.00 70.33 68.09 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 -1.57 -2.56 -4.67 -0.78 -0.58 -1.07 -4.85 120.64 104.57 2cqb n GLU 44 Ca 0.00 0.38 -0.31 0.00 -0.42 0.00 0.00 57.16 56.81 2cqb n GLU 44 Cb 0.29 -4.95 -0.13 0.00 -0.57 0.00 0.00 31.44 26.08 2cqb n GLU 44 CO 0.00 0.00 0.00 -1.59 -0.48 0.00 0.00 177.13 175.06 2cqb s LYS 45 N -5.11 2.08 0.42 3.49 -2.85 -1.26 -4.66 119.74 111.85 2cqb s LYS 45 Ca 0.04 -0.97 -0.00 0.00 -1.00 0.00 0.00 55.97 54.03 2cqb s LYS 45 Cb -0.02 -2.19 -0.02 0.00 -2.06 0.00 0.00 37.83 33.54 2cqb s LYS 45 CO 0.05 0.54 0.64 -3.38 0.10 0.00 0.00 175.35 173.30 2cqb s HIS 46 N -0.92 3.34 -0.24 1.78 -3.43 -1.26 -4.14 115.29 110.42 2cqb s HIS 46 Ca 0.15 0.32 -0.18 0.00 -0.80 0.00 0.00 55.06 54.55 2cqb s HIS 46 Cb -0.10 -2.18 -0.16 0.00 -1.43 0.00 0.00 32.58 28.71 2cqb s HIS 46 CO 0.05 -0.20 -0.05 0.54 -2.00 0.00 0.00 174.74 173.08 2cqb n ARG 47 N -2.00 0.57 0.00 -0.38 1.74 -1.26 -4.99 116.66 110.34 2cqb n ARG 47 Ca -0.01 0.44 0.00 0.00 -0.77 0.00 0.00 57.85 57.51 2cqb n ARG 47 Cb 0.57 -1.63 0.00 0.00 -1.02 0.00 0.00 32.46 30.38 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 1.36 -0.89 3.58 -0.13 0.00 -1.26 -4.82 105.19 103.02 2cqb n GLY 48 Ca -0.42 0.31 -0.06 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.19 0.15 1.61 -0.71 -1.26 -1.86 117.98 115.73 2cqb s PHE 49 Ca 0.00 0.15 -0.13 0.00 -1.04 0.00 0.00 56.93 55.90 2cqb s PHE 49 Cb 0.00 0.51 0.05 0.00 -1.21 0.00 0.00 43.02 42.37 2cqb s PHE 49 CO 0.00 -0.27 0.65 0.00 -1.34 0.00 0.00 175.22 174.26 2cqb n ALA 50 N -0.03 -1.66 -3.48 1.99 0.00 -0.68 -4.49 120.51 112.17 2cqb n ALA 50 Ca -0.02 -0.71 -0.23 0.00 0.00 0.00 0.00 53.44 52.48 2cqb n ALA 50 Cb 0.59 0.43 -0.16 0.00 0.00 0.00 0.00 19.45 20.31 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 -3.64 1.29 -0.09 0.00 0.40 -0.90 -1.03 117.98 114.00 2cqb s PHE 51 Ca 0.14 -0.45 0.03 0.00 -0.60 0.00 0.00 56.93 56.05 2cqb s PHE 51 Cb -0.02 -0.97 -0.01 0.00 0.51 0.00 0.00 43.02 42.53 2cqb s PHE 51 CO 0.04 -0.25 -0.18 0.08 0.70 0.00 0.00 175.22 175.61 2cqb s VAL 52 N 0.69 2.62 -0.15 -0.44 1.01 -0.55 -1.67 120.40 121.91 2cqb s VAL 52 Ca -0.14 -0.84 -0.11 0.00 0.00 0.00 0.00 61.98 60.90 2cqb s VAL 52 Cb -0.15 -2.04 -0.05 0.00 0.00 0.00 0.00 36.38 34.14 2cqb s VAL 52 CO 0.03 0.55 0.20 -0.70 0.00 0.00 0.00 175.10 175.18 2cqb s GLU 53 N 0.03 3.96 0.04 2.72 2.12 -0.69 -0.30 118.70 126.59 2cqb s GLU 53 Ca -0.07 -0.05 0.02 0.00 0.36 0.00 0.00 54.97 55.23 2cqb s GLU 53 Cb -0.15 -3.34 -0.04 0.00 0.26 0.00 0.00 34.13 30.87 2cqb s GLU 53 CO 0.05 0.46 0.06 -0.06 -0.54 0.00 0.00 175.26 175.23 2cqb s PHE 54 N -0.15 3.19 0.35 5.30 0.40 -1.00 -2.50 117.98 123.59 2cqb s PHE 54 Ca 0.14 0.11 0.06 0.00 -0.60 0.00 0.00 56.93 56.64 2cqb s PHE 54 Cb -0.12 -1.66 0.73 0.00 0.51 0.00 0.00 43.02 42.48 2cqb s PHE 54 CO 0.03 0.52 1.93 1.49 0.70 0.00 0.00 175.22 179.89 2cqb h GLU 55 N 3.71 0.75 -5.13 0.44 4.81 -1.92 -3.44 114.58 113.80 2cqb h GLU 55 Ca -0.48 -0.05 -0.40 0.00 -0.13 0.00 0.00 59.36 58.31 2cqb h GLU 55 Cb 1.17 -0.17 -0.14 0.00 0.63 0.00 0.00 28.75 30.24 2cqb h GLU 55 CO 0.63 0.50 -0.65 -0.51 -0.73 0.00 0.00 179.01 178.25 2cqb s LEU 56 N -9.76 2.20 -0.05 1.64 1.43 -1.26 -5.07 118.68 107.82 2cqb s LEU 56 Ca -0.10 -1.23 -0.24 0.00 -1.03 0.00 0.00 54.13 51.53 2cqb s LEU 56 Cb 0.20 -0.31 -0.23 0.00 0.03 0.00 0.00 46.19 45.88 2cqb s LEU 56 CO 0.78 -0.51 1.04 0.00 0.23 0.00 0.00 176.35 177.89 2cqb h ALA 57 N 2.42 0.04 -0.73 4.21 0.00 -1.84 -3.16 119.26 120.19 2cqb h ALA 57 Ca -0.39 -0.47 0.10 0.00 0.00 0.00 0.00 54.91 54.16 2cqb h ALA 57 Cb 1.23 0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.95 2cqb h ALA 57 CO 0.65 0.10 0.36 1.05 0.00 0.00 0.00 179.25 181.41 2cqb h GLU 58 N -0.47 0.57 -0.75 0.00 4.11 -1.98 -1.07 114.58 115.00 2cqb h GLU 58 Ca -0.03 -0.03 0.04 0.00 0.07 0.00 0.00 59.36 59.41 2cqb h GLU 58 Cb 1.01 -0.13 -0.05 0.00 0.50 0.00 0.00 28.75 30.08 2cqb h GLU 58 CO 0.05 0.38 0.46 -0.44 0.07 0.00 0.00 179.01 179.53 2cqb h ASP 59 N 0.59 0.74 0.04 3.06 3.32 -1.95 -1.85 116.42 120.36 2cqb h ASP 59 Ca 0.37 0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.43 2cqb h ASP 59 Cb 0.43 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.83 2cqb h ASP 59 CO -0.30 0.50 -0.02 0.00 -1.72 0.00 0.00 179.24 177.70 2cqb h ALA 60 N 1.34 -0.05 -0.60 3.45 0.00 -1.19 -1.82 119.26 120.39 2cqb h ALA 60 Ca 0.31 -0.05 0.09 0.00 0.00 0.00 0.00 54.91 55.26 2cqb h ALA 60 Cb 0.08 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 17.82 2cqb h ALA 60 CO -0.14 -0.48 0.22 0.00 0.00 0.00 0.00 179.25 178.85 2cqb h ALA 61 N 0.82 0.78 -0.55 0.00 0.00 -1.02 -0.69 119.26 118.61 2cqb h ALA 61 Ca -0.00 0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 2cqb h ALA 61 Cb 0.12 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 2cqb h ALA 61 CO 0.01 -0.20 0.23 0.00 0.00 0.00 0.00 179.25 179.28 2cqb h ALA 62 N 1.42 1.37 -0.64 0.00 0.00 -1.18 -2.33 119.26 117.92 2cqb h ALA 62 Ca 0.31 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 2cqb h ALA 62 Cb 0.38 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 2cqb h ALA 62 CO -0.31 0.48 0.30 0.00 0.00 0.00 0.00 179.25 179.72 2cqb h ALA 63 N 1.47 0.82 0.73 0.00 0.00 -0.27 -3.03 119.26 118.99 2cqb h ALA 63 Ca 0.19 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 2cqb h ALA 63 Cb 0.14 -0.25 0.01 0.00 0.00 0.00 0.00 17.79 17.69 2cqb h ALA 63 CO -0.02 0.39 -0.35 0.82 0.00 0.00 0.00 179.25 180.09 2cqb h ILE 64 N 0.88 0.00 -1.69 0.00 2.04 -1.00 0.65 117.51 118.39 2cqb h ILE 64 Ca 0.22 -0.22 0.49 0.00 1.00 0.00 0.00 64.86 66.35 2cqb h ILE 64 Cb 0.12 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.14 2cqb h ILE 64 CO -0.03 0.00 1.37 -0.67 0.00 0.00 0.00 178.15 178.82 2cqb n ASP 65 N -5.24 0.00 0.00 1.72 2.03 -0.91 -0.13 116.55 114.02 2cqb n ASP 65 Ca -0.12 0.92 0.00 0.00 0.52 0.00 0.00 54.79 56.11 2cqb n ASP 65 Cb 0.39 -0.42 0.00 0.00 -0.72 0.00 0.00 41.12 40.37 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 -3.70 0.00 -0.37 1.67 3.02 -1.08 -4.62 115.26 110.18 2cqb n ASN 66 Ca 0.38 0.04 0.02 0.00 -0.03 0.00 0.00 54.58 54.99 2cqb n ASN 66 Cb 1.87 -0.44 0.08 0.00 -0.61 0.00 0.00 39.78 40.69 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 -2.32 -0.17 -1.22 3.52 2.81 0.23 -4.45 117.12 115.51 2cqb n MET 67 Ca 0.00 1.53 -0.50 0.00 -1.81 0.00 0.00 57.70 56.92 2cqb n MET 67 Cb 0.00 -2.27 -0.08 0.00 -0.71 0.00 0.00 33.22 30.16 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 -5.52 0.82 -2.89 7.83 6.94 0.82 0.12 115.26 123.39 2cqb n ASN 68 Ca 0.12 0.80 -0.17 0.00 -0.02 0.00 0.00 54.58 55.31 2cqb n ASN 68 Cb 0.44 -0.67 0.06 0.00 -2.36 0.00 0.00 39.78 37.25 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 3.77 -5.87 -2.72 -3.83 1.02 -0.60 -4.91 120.64 107.50 2cqb n GLU 69 Ca 0.29 0.65 -0.22 0.00 -0.02 0.00 0.00 57.16 57.85 2cqb n GLU 69 Cb -0.04 -5.11 0.08 0.00 -0.02 0.00 0.00 31.44 26.35 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 -3.48 4.69 -0.35 1.62 0.01 0.34 -4.87 113.70 111.65 2cqb s SER 70 Ca 0.32 -0.45 -0.02 0.00 1.31 0.00 0.00 55.95 57.11 2cqb s SER 70 Cb -0.14 -0.05 0.08 0.00 0.21 0.00 0.00 66.02 66.12 2cqb s SER 70 CO 0.56 -1.61 0.10 -0.70 0.41 0.00 0.00 173.24 172.00 2cqb s GLU 71 N -4.95 2.16 0.03 12.44 2.12 -1.26 -2.69 118.70 126.55 2cqb s GLU 71 Ca 0.64 -1.56 0.07 0.00 0.36 0.00 0.00 54.97 54.48 2cqb s GLU 71 Cb -0.06 -3.37 -0.02 0.00 0.26 0.00 0.00 34.13 30.94 2cqb s GLU 71 CO 0.42 -0.85 -0.22 -1.17 -0.54 0.00 0.00 175.26 172.90 2cqb s LEU 72 N 1.18 2.14 -0.68 2.70 2.96 0.83 -4.71 118.68 123.10 2cqb s LEU 72 Ca 0.02 -0.51 -0.04 0.00 -0.22 0.00 0.00 54.13 53.39 2cqb s LEU 72 Cb -0.21 -1.05 0.04 0.00 0.50 0.00 0.00 46.19 45.46 2cqb s LEU 72 CO -0.03 0.20 0.14 0.49 -1.32 0.00 0.00 176.35 175.83 2cqb n PHE 73 N 1.98 -1.73 -2.51 5.38 3.01 -1.26 0.13 117.46 122.46 2cqb n PHE 73 Ca -0.17 0.15 -0.11 0.00 1.01 0.00 0.00 57.45 58.33 2cqb n PHE 73 Cb 0.53 -1.87 0.01 0.00 -0.01 0.00 0.00 39.48 38.14 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 3.33 1.37 0.00 -1.26 -5.02 105.19 102.88 2cqb n GLY 74 Ca -0.03 -0.35 -0.09 0.00 0.00 0.00 0.00 46.02 45.55 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 -4.95 1.11 -0.17 1.61 1.70 0.35 -5.15 118.95 113.44 2cqb s ARG 75 Ca 0.11 -1.06 -0.13 0.00 -0.47 0.00 0.00 55.73 54.18 2cqb s ARG 75 Cb -0.05 0.39 -0.05 0.00 -0.57 0.00 0.00 34.95 34.68 2cqb s ARG 75 CO 0.13 -0.41 0.27 0.99 -1.08 0.00 0.00 175.30 175.21 2cqb s THR 76 N -3.92 5.32 0.16 4.99 2.01 -1.26 -0.12 115.64 122.82 2cqb s THR 76 Ca 0.13 0.48 0.11 0.00 0.31 0.00 0.00 61.69 62.72 2cqb s THR 76 Cb 0.03 -3.61 -0.04 0.00 0.01 0.00 0.00 72.50 68.89 2cqb s THR 76 CO -0.04 0.38 -0.25 0.27 -0.69 0.00 0.00 174.62 174.30 2cqb s ILE 77 N 0.55 2.35 -0.13 1.82 -4.36 -1.10 -4.71 121.20 115.63 2cqb s ILE 77 Ca 0.15 -1.89 -0.02 0.00 -0.26 0.00 0.00 60.65 58.62 2cqb s ILE 77 Cb -0.13 -2.09 -0.03 0.00 1.25 0.00 0.00 42.46 41.47 2cqb s ILE 77 CO 0.03 -0.02 -0.05 -0.60 0.24 0.00 0.00 174.94 174.54 2cqb s ARG 78 N -2.40 3.44 -0.03 0.37 3.52 -0.55 -1.56 118.95 121.75 2cqb s ARG 78 Ca 0.18 -0.53 0.05 0.00 -0.13 0.00 0.00 55.73 55.30 2cqb s ARG 78 Cb -0.09 -2.83 -0.01 0.00 -1.56 0.00 0.00 34.95 30.47 2cqb s ARG 78 CO 0.08 0.35 -0.19 0.08 -0.81 0.00 0.00 175.30 174.81 2cqb s VAL 79 N 0.07 1.54 0.33 7.11 1.01 -1.26 -0.33 120.40 128.86 2cqb s VAL 79 Ca -0.01 -0.81 -0.18 0.00 0.00 0.00 0.00 61.98 60.99 2cqb s VAL 79 Cb -0.14 -1.30 0.06 0.00 0.00 0.00 0.00 36.38 35.01 2cqb s VAL 79 CO 0.03 0.44 0.86 0.54 0.00 0.00 0.00 175.10 176.97 2cqb s ASN 80 N -0.22 0.00 0.27 3.32 6.03 -0.70 -4.53 114.94 119.11 2cqb s ASN 80 Ca 0.02 -1.00 -0.29 0.00 -1.03 0.00 0.00 52.86 50.55 2cqb s ASN 80 Cb -0.10 0.75 -0.09 0.00 -3.03 0.00 0.00 41.25 38.78 2cqb s ASN 80 CO 0.01 -1.48 1.21 -0.76 -2.03 0.00 0.00 177.10 174.05 2cqb s LEU 81 N -3.17 4.48 0.89 3.54 1.43 -1.26 0.19 118.68 124.77 2cqb s LEU 81 Ca 0.17 2.43 -0.15 0.00 -1.03 0.00 0.00 54.13 55.55 2cqb s LEU 81 Cb -0.04 -3.63 -0.02 0.00 0.03 0.00 0.00 46.19 42.52 2cqb s LEU 81 CO 0.10 -0.36 0.19 0.00 0.23 0.00 0.00 176.35 176.50 2cqb n ALA 82 N 1.46 -2.89 -2.63 4.21 0.00 -0.86 -4.59 120.51 115.20 2cqb n ALA 82 Ca 0.01 -0.51 -0.30 0.00 0.00 0.00 0.00 53.44 52.64 2cqb n ALA 82 Cb 0.43 -1.67 -0.09 0.00 0.00 0.00 0.00 19.45 18.12 2cqb n ALA 82 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 2cqb s LYS 83 N -3.01 2.33 -0.28 0.00 -2.85 -1.26 -4.98 119.74 109.68 2cqb s LYS 83 Ca 0.56 -0.94 -0.29 0.00 -1.00 0.00 0.00 55.97 54.30 2cqb s LYS 83 Cb -0.25 -2.42 -0.02 0.00 -2.06 0.00 0.00 37.83 33.08 2cqb s LYS 83 CO 0.68 0.52 1.65 -1.25 0.10 0.00 0.00 175.35 177.05 2cqb s PRO 84 N -2.26 3.62 -0.33 1.78 0.04 -1.26 -4.98 135.00 131.61 2cqb s PRO 84 Ca 0.23 1.50 -0.20 0.00 0.04 0.00 0.00 61.00 62.57 2cqb s PRO 84 Cb -0.11 -4.09 -0.00 0.00 0.04 0.00 0.00 34.50 30.34 2cqb s PRO 84 CO 0.16 -1.51 0.61 1.41 0.04 0.00 0.00 177.00 177.72 2cqb s MET 85 N 5.02 3.78 -0.29 4.56 1.75 -1.26 -5.00 119.30 127.85 2cqb s MET 85 Ca 0.73 0.14 -0.16 0.00 -1.25 0.00 0.00 55.69 55.14 2cqb s MET 85 Cb -0.23 -3.77 0.17 0.00 2.84 0.00 0.00 34.83 33.84 2cqb s MET 85 CO 0.31 -0.64 1.08 0.50 -0.65 0.00 0.00 175.02 175.62 2cqb s ARG 86 N 2.62 0.25 -0.67 4.11 6.06 -1.26 -5.09 118.95 124.97 2cqb s ARG 86 Ca 0.24 0.44 0.05 0.00 -2.50 0.00 0.00 55.73 53.96 2cqb s ARG 86 Cb -0.15 0.07 0.26 0.00 0.06 0.00 0.00 34.95 35.19 2cqb s ARG 86 CO 0.13 -0.05 0.82 0.44 -2.50 0.00 0.00 175.30 174.14 2cqb n ILE 87 N 3.57 2.65 -3.63 4.11 -5.35 -1.26 -5.03 119.36 114.41 2cqb n ILE 87 Ca -0.17 -5.31 -0.15 0.00 -0.27 0.00 0.00 62.75 56.85 2cqb n ILE 87 Cb 0.57 -2.04 -0.07 0.00 -1.74 0.00 0.00 39.64 36.35 2cqb n ILE 87 CO 0.00 0.00 0.00 -0.75 -1.76 0.00 0.00 176.55 174.04 2cqb s LYS 88 N -2.59 0.84 0.46 6.28 2.20 -1.26 -5.18 119.74 120.49 2cqb s LYS 88 Ca 0.40 0.32 0.08 0.00 -0.36 0.00 0.00 55.97 56.40 2cqb s LYS 88 Cb 0.15 0.39 0.01 0.00 -1.51 0.00 0.00 37.83 36.88 2cqb s LYS 88 CO -0.01 -0.21 0.47 -1.21 -0.36 0.00 0.00 175.35 174.03 2cqb s GLU 89 N -0.75 2.49 0.04 4.03 0.41 -1.26 -5.15 118.70 118.51 2cqb s GLU 89 Ca -0.08 -1.60 -0.10 0.00 -0.41 0.00 0.00 54.97 52.78 2cqb s GLU 89 Cb -0.03 -2.42 0.01 0.00 -1.78 0.00 0.00 34.13 29.91 2cqb s GLU 89 CO 0.06 -0.38 0.21 -1.54 -0.49 0.00 0.00 175.26 173.12 2cqb s SER 90 N -4.27 0.00 0.00 -0.19 1.04 -1.26 -5.08 113.70 103.94 2cqb s SER 90 Ca 0.49 -0.33 0.00 0.00 0.48 0.00 0.00 55.95 56.59 2cqb s SER 90 Cb -0.04 0.30 0.00 0.00 0.10 0.00 0.00 66.02 66.37 2cqb s SER 90 CO 0.29 -0.56 0.00 0.61 0.98 0.00 0.00 173.24 174.56 2cqb n GLY 91 N 0.70 0.54 0.00 7.32 0.00 -1.26 -4.93 105.19 107.56 2cqb n GLY 91 Ca -0.19 -0.75 0.05 0.00 0.00 0.00 0.00 46.02 45.13 2cqb n GLY 91 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2cqb n PRO 92 N 0.35 0.49 -2.33 1.61 -0.04 -1.26 -4.82 135.00 129.00 2cqb n PRO 92 Ca 0.00 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.42 2cqb n PRO 92 Cb 0.00 -1.34 0.02 0.00 -0.04 0.00 0.00 33.50 32.15 2cqb n PRO 92 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2cqb n SER 93 N -0.84 -2.12 -3.55 3.54 2.88 -1.26 -5.06 113.62 107.20 2cqb n SER 93 Ca 0.08 -0.16 -0.09 0.00 -1.33 0.00 0.00 58.87 57.37 2cqb n SER 93 Cb 0.04 -1.70 -0.03 0.00 -0.75 0.00 0.00 64.21 61.76 2cqb n SER 93 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2cqb s SER 94 N -3.33 -0.33 0.00 -3.46 1.04 -1.26 -5.35 113.70 101.01 2cqb s SER 94 Ca 0.01 0.18 0.00 0.00 0.48 0.00 0.00 55.95 56.63 2cqb s SER 94 Cb -0.00 0.31 0.00 0.00 0.10 0.00 0.00 66.02 66.43 2cqb s SER 94 CO 0.19 -0.43 0.00 0.61 0.98 0.00 0.00 173.24 174.59