#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 1.08 0.49 1.61 0.01 -1.26 -5.17 113.70 110.46 2cqb s SER -5 Ca 0.00 -1.29 0.07 0.00 1.31 0.00 0.00 55.95 56.03 2cqb s SER -5 Cb 0.00 0.17 0.04 0.00 0.21 0.00 0.00 66.02 66.43 2cqb s SER -5 CO 0.00 -0.67 0.67 -0.55 0.41 0.00 0.00 173.24 173.10 2cqb s SER -4 N -3.23 5.41 0.00 2.44 0.15 -1.26 -5.10 113.70 112.10 2cqb s SER -4 Ca 0.32 -0.44 0.00 0.00 0.70 0.00 0.00 55.95 56.53 2cqb s SER -4 Cb 0.07 -0.46 0.00 0.00 -1.71 0.00 0.00 66.02 63.92 2cqb s SER -4 CO 0.09 -1.01 0.00 0.61 1.20 0.00 0.00 173.24 174.13 2cqb n GLY -3 N -2.07 0.22 2.94 9.45 0.00 -1.26 -5.03 105.19 109.44 2cqb n GLY -3 Ca 0.10 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.96 2cqb n GLY -3 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2cqb n SER -2 N -0.69 -4.46 -0.33 1.61 2.88 -1.26 -4.88 113.62 106.49 2cqb n SER -2 Ca 0.00 -0.40 0.15 0.00 -1.33 0.00 0.00 58.87 57.29 2cqb n SER -2 Cb 0.00 -3.74 0.30 0.00 -0.75 0.00 0.00 64.21 60.01 2cqb n SER -2 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2cqb n SER -1 N -1.89 -0.09 0.00 -3.46 2.88 -1.26 -4.90 113.62 104.89 2cqb n SER -1 Ca -0.04 1.64 0.00 0.00 -1.33 0.00 0.00 58.87 59.14 2cqb n SER -1 Cb 0.56 -0.61 0.00 0.00 -0.75 0.00 0.00 64.21 63.41 2cqb n SER -1 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2cqb n GLY 0 N -1.47 0.82 3.55 0.46 0.00 -1.26 -5.02 105.19 102.26 2cqb n GLY 0 Ca 0.23 -0.75 -0.31 0.00 0.00 0.00 0.00 46.02 45.19 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 0.00 2.07 -0.12 1.61 -2.45 -1.26 -4.92 119.30 114.23 2cqb s MET 1 Ca 0.00 1.01 0.02 0.00 -1.25 0.00 0.00 55.69 55.47 2cqb s MET 1 Cb 0.00 -4.63 -0.00 0.00 1.25 0.00 0.00 34.83 31.45 2cqb s MET 1 CO 0.00 -3.49 -0.19 0.00 1.05 0.00 0.00 175.02 172.39 2cqb s ALA 2 N 12.30 2.36 -0.07 4.11 0.00 -1.26 -5.11 121.76 134.09 2cqb s ALA 2 Ca 0.91 -0.97 -0.05 0.00 0.00 0.00 0.00 51.96 51.86 2cqb s ALA 2 Cb -0.15 -1.01 0.03 0.00 0.00 0.00 0.00 23.12 21.99 2cqb s ALA 2 CO 0.20 0.20 0.17 0.95 0.00 0.00 0.00 175.76 177.28 2cqb s THR 3 N 0.45 -0.02 -0.70 0.00 -4.23 -1.26 -4.91 115.64 104.97 2cqb s THR 3 Ca -0.14 0.08 -0.00 0.00 -1.18 0.00 0.00 61.69 60.46 2cqb s THR 3 Cb -0.17 -0.25 -0.00 0.00 1.34 0.00 0.00 72.50 73.42 2cqb s THR 3 CO 0.06 0.03 0.59 0.41 -0.54 0.00 0.00 174.62 175.17 2cqb n THR 4 N 3.59 -3.56 -1.20 3.99 -1.04 -1.26 -4.90 114.28 109.90 2cqb n THR 4 Ca -0.19 -0.30 -0.19 0.00 -2.04 0.00 0.00 64.05 61.32 2cqb n THR 4 Cb 0.56 -3.98 -0.12 0.00 -1.82 0.00 0.00 70.33 64.96 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 -2.84 2.36 0.00 -2.82 4.76 -1.26 -3.87 118.16 114.49 2cqb n LYS 5 Ca -0.17 -1.56 0.00 0.00 -2.87 0.00 0.00 58.31 53.71 2cqb n LYS 5 Cb 0.60 -2.13 0.00 0.00 -1.84 0.00 0.00 35.03 31.66 2cqb n LYS 5 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2cqb n ARG 6 N 2.12 0.00 -2.69 1.97 1.74 -1.26 -4.15 116.66 114.39 2cqb n ARG 6 Ca 0.48 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 57.14 2cqb n ARG 6 Cb 0.74 -0.39 -0.03 0.00 -1.02 0.00 0.00 32.46 31.76 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 -1.96 4.05 0.12 1.55 1.01 -1.25 -1.76 120.40 122.16 2cqb s VAL 7 Ca 0.00 0.29 -0.18 0.00 0.00 0.00 0.00 61.98 62.09 2cqb s VAL 7 Cb 0.00 -4.75 -0.07 0.00 0.00 0.00 0.00 36.38 31.56 2cqb s VAL 7 CO 0.00 -1.52 0.60 -0.76 0.00 0.00 0.00 175.10 173.42 2cqb s LEU 8 N 4.84 4.45 -0.14 3.92 1.43 0.91 -2.43 118.68 131.66 2cqb s LEU 8 Ca 0.32 1.26 -0.04 0.00 -1.03 0.00 0.00 54.13 54.64 2cqb s LEU 8 Cb -0.11 -3.13 -0.03 0.00 0.03 0.00 0.00 46.19 42.94 2cqb s LEU 8 CO 0.17 0.18 0.00 -0.47 0.23 0.00 0.00 176.35 176.46 2cqb s TYR 9 N -1.28 3.13 -0.03 0.29 6.14 0.14 -0.52 117.35 125.23 2cqb s TYR 9 Ca 0.34 -0.05 0.05 0.00 0.64 0.00 0.00 57.07 58.06 2cqb s TYR 9 Cb -0.18 -1.95 -0.03 0.00 0.42 0.00 0.00 41.96 40.23 2cqb s TYR 9 CO 0.20 0.16 -0.18 0.08 0.64 0.00 0.00 175.55 176.45 2cqb s VAL 10 N 0.02 2.78 0.31 3.14 1.01 -0.72 -1.33 120.40 125.61 2cqb s VAL 10 Ca 0.03 -0.90 0.03 0.00 0.00 0.00 0.00 61.98 61.14 2cqb s VAL 10 Cb -0.13 -2.08 -0.04 0.00 0.00 0.00 0.00 36.38 34.13 2cqb s VAL 10 CO 0.02 0.54 0.15 -0.83 0.00 0.00 0.00 175.10 174.98 2cqb s GLY 11 N -0.84 2.08 -1.09 4.51 0.00 0.16 -1.61 107.32 110.53 2cqb s GLY 11 Ca 0.12 -1.74 0.00 0.00 0.00 0.00 0.00 44.72 43.10 2cqb s GLY 11 CO 0.01 -1.62 0.00 0.61 0.00 0.00 0.00 173.10 172.10 2cqb n GLY 12 N -0.60 1.07 2.58 0.20 0.00 -0.71 -1.84 105.19 105.89 2cqb n GLY 12 Ca 0.00 -0.15 -0.20 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.17 0.00 -4.97 0.99 4.77 -1.16 -4.65 117.00 110.81 2cqb n LEU 13 Ca -0.10 -0.57 -0.20 0.00 -0.03 0.00 0.00 56.01 55.11 2cqb n LEU 13 Cb 0.48 -0.74 0.01 0.00 -2.33 0.00 0.00 43.42 40.85 2cqb n LEU 13 CO 0.16 -2.46 0.16 0.00 -1.33 0.00 0.00 177.39 173.92 2cqb s ALA 14 N -2.07 4.46 -0.59 -1.18 0.00 -1.26 -4.90 121.76 116.23 2cqb s ALA 14 Ca 0.43 -1.81 0.25 0.00 0.00 0.00 0.00 51.96 50.83 2cqb s ALA 14 Cb -0.08 -1.31 0.72 0.00 0.00 0.00 0.00 23.12 22.46 2cqb s ALA 14 CO 0.36 -0.47 1.73 1.05 0.00 0.00 0.00 175.76 178.44 2cqb h GLU 15 N 0.61 0.00 -0.29 0.00 4.11 -1.96 -3.10 114.58 113.95 2cqb h GLU 15 Ca -0.37 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.06 2cqb h GLU 15 Cb 1.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.53 2cqb h GLU 15 CO 0.48 0.00 0.00 -1.91 0.07 0.00 0.00 179.01 177.65 2cqb n GLU 16 N -2.54 3.00 -4.23 1.06 4.07 -1.26 -4.98 120.64 115.77 2cqb n GLU 16 Ca 0.05 -2.72 -0.35 0.00 -0.06 0.00 0.00 57.16 54.08 2cqb n GLU 16 Cb 0.43 -1.76 -0.09 0.00 -0.06 0.00 0.00 31.44 29.96 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 -2.49 4.54 0.32 6.31 1.01 -1.17 -4.93 120.40 123.98 2cqb s VAL 17 Ca 0.39 -0.15 -0.05 0.00 0.00 0.00 0.00 61.98 62.18 2cqb s VAL 17 Cb 0.31 -2.96 0.00 0.00 0.00 0.00 0.00 36.38 33.73 2cqb s VAL 17 CO 0.11 0.57 0.47 -1.81 0.00 0.00 0.00 175.10 174.43 2cqb s ASP 18 N -0.50 0.64 0.44 3.32 1.11 -1.26 -4.82 116.67 115.59 2cqb s ASP 18 Ca 0.09 -1.36 0.29 0.00 0.18 0.00 0.00 52.55 51.76 2cqb s ASP 18 Cb -0.12 0.64 1.39 0.00 1.07 0.00 0.00 42.92 45.90 2cqb s ASP 18 CO 0.02 -1.26 1.65 -2.24 1.18 0.00 0.00 175.17 174.52 2cqb h ASP 19 N 2.16 0.26 0.38 0.27 2.03 -1.98 0.18 116.42 119.73 2cqb h ASP 19 Ca -0.28 0.12 -0.02 0.00 -0.73 0.00 0.00 57.03 56.12 2cqb h ASP 19 Cb 1.24 0.10 0.00 0.00 -0.83 0.00 0.00 39.33 39.85 2cqb h ASP 19 CO 0.39 -0.13 -0.18 0.11 -1.03 0.00 0.00 179.24 178.39 2cqb h LYS 20 N 0.12 -0.50 -0.36 4.15 1.57 -1.98 0.46 116.57 120.05 2cqb h LYS 20 Ca 0.78 0.03 0.06 0.00 -1.87 0.00 0.00 60.65 59.66 2cqb h LYS 20 Cb 2.45 0.11 -0.05 0.00 0.08 0.00 0.00 32.23 34.82 2cqb h LYS 20 CO -0.38 -0.19 0.02 0.28 -0.57 0.00 0.00 179.45 178.62 2cqb h VAL 21 N -0.84 0.76 -0.48 0.50 2.07 -1.08 -1.73 116.25 115.45 2cqb h VAL 21 Ca -0.05 -0.04 -0.14 0.00 0.82 0.00 0.00 66.70 67.29 2cqb h VAL 21 Cb 0.54 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 2cqb h VAL 21 CO 0.09 0.02 -0.23 -0.07 0.02 0.00 0.00 177.57 177.40 2cqb h LEU 22 N 0.13 1.03 -0.78 2.57 3.38 -1.15 -1.51 115.31 118.98 2cqb h LEU 22 Ca 0.17 -0.40 0.13 0.00 0.09 0.00 0.00 57.88 57.87 2cqb h LEU 22 Cb 0.23 -0.28 -0.09 0.00 0.09 0.00 0.00 40.66 40.61 2cqb h LEU 22 CO -0.27 1.20 0.37 -0.74 0.09 0.00 0.00 178.44 179.09 2cqb h HIS 23 N 0.86 0.65 0.00 1.13 2.76 0.55 0.70 115.15 121.81 2cqb h HIS 23 Ca 0.11 0.03 -0.12 0.00 -2.20 0.00 0.00 60.37 58.19 2cqb h HIS 23 Cb 0.81 -0.17 -0.02 0.00 1.55 0.00 0.00 27.41 29.58 2cqb h HIS 23 CO 0.05 0.17 -0.58 0.00 -1.30 0.00 0.00 177.93 176.27 2cqb h ALA 24 N 1.51 0.62 0.00 5.26 0.00 -1.24 -0.04 119.26 125.37 2cqb h ALA 24 Ca 0.41 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2cqb h ALA 24 Cb 0.54 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.24 2cqb h ALA 24 CO -0.34 0.73 -0.20 0.00 0.00 0.00 0.00 179.25 179.44 2cqb n ALA 25 N -2.25 2.49 0.08 0.00 0.00 -0.14 -3.56 120.51 117.12 2cqb n ALA 25 Ca 0.02 -0.09 0.01 0.00 0.00 0.00 0.00 53.44 53.37 2cqb n ALA 25 Cb 0.77 -1.37 0.01 0.00 0.00 0.00 0.00 19.45 18.85 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 -2.22 0.00 0.13 0.00 3.01 0.23 -4.65 117.46 113.96 2cqb n PHE 26 Ca 0.05 -0.01 0.07 0.00 1.01 0.00 0.00 57.45 58.56 2cqb n PHE 26 Cb 0.43 -0.00 0.54 0.00 -0.01 0.00 0.00 39.48 40.44 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 0.37 1.04 0.86 4.37 6.09 -1.05 -3.09 117.51 126.10 2cqb h ILE 27 Ca 0.00 -0.09 -0.04 0.00 -1.37 0.00 0.00 64.86 63.36 2cqb h ILE 27 Cb 0.09 0.75 0.01 0.00 0.47 0.00 0.00 36.82 38.14 2cqb h ILE 27 CO 0.00 0.05 -0.41 -0.65 -3.07 0.00 0.00 178.15 174.07 2cqb h PRO 28 N 0.27 -1.11 -0.05 2.19 0.11 -1.82 -3.29 132.00 128.29 2cqb h PRO 28 Ca 0.08 0.08 0.00 0.00 0.11 0.00 0.00 66.00 66.27 2cqb h PRO 28 Cb 0.01 0.25 -0.01 0.00 0.11 0.00 0.00 31.00 31.36 2cqb h PRO 28 CO -0.02 -0.74 -0.03 1.19 -0.21 0.00 0.00 178.00 178.19 2cqb n PHE 29 N -5.10 -0.02 -1.29 0.65 3.72 -1.17 -4.85 117.46 109.41 2cqb n PHE 29 Ca -0.14 0.06 0.00 0.00 -0.05 0.00 0.00 57.45 57.32 2cqb n PHE 29 Cb 0.45 -0.40 0.00 0.00 -0.94 0.00 0.00 39.48 38.60 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 -1.01 5.07 3.06 1.37 0.00 -1.24 -4.97 105.19 107.47 2cqb n GLY 30 Ca 0.00 -0.92 -0.35 0.00 0.00 0.00 0.00 46.02 44.75 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 1.22 5.51 -0.45 1.61 1.11 -1.26 -4.63 116.67 119.78 2cqb s ASP 31 Ca 0.00 -3.46 -0.46 0.00 0.18 0.00 0.00 52.55 48.82 2cqb s ASP 31 Cb 0.00 -1.84 -0.20 0.00 1.07 0.00 0.00 42.92 41.96 2cqb s ASP 31 CO 0.00 -0.22 1.53 -0.38 1.18 0.00 0.00 175.17 177.27 2cqb n ILE 32 N 2.65 0.00 0.07 0.77 5.41 -1.26 -3.82 119.36 123.18 2cqb n ILE 32 Ca 0.16 0.00 -0.17 0.00 1.00 0.00 0.00 62.75 63.75 2cqb n ILE 32 Cb 0.37 -0.45 -0.14 0.00 -0.71 0.00 0.00 39.64 38.70 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 4.75 1.22 -1.65 1.39 1.35 -0.88 -3.48 112.91 115.62 2cqb h THR 33 Ca -0.44 -2.85 0.14 0.00 -0.55 0.00 0.00 66.41 62.72 2cqb h THR 33 Cb 1.35 2.80 -0.21 0.00 -1.73 0.00 0.00 68.15 70.36 2cqb h THR 33 CO 0.94 0.83 0.64 1.51 -0.25 0.00 0.00 175.52 179.18 2cqb s ASP 34 N -7.02 -0.28 0.01 5.36 1.47 -1.22 -5.02 116.67 109.97 2cqb s ASP 34 Ca -0.08 0.18 0.05 0.00 1.18 0.00 0.00 52.55 53.88 2cqb s ASP 34 Cb 0.07 0.26 -0.01 0.00 -0.34 0.00 0.00 42.92 42.89 2cqb s ASP 34 CO 0.86 -0.35 -0.14 -0.63 0.68 0.00 0.00 175.17 175.59 2cqb s ILE 35 N -1.84 1.14 -0.09 2.11 1.01 -1.26 -0.23 121.20 122.04 2cqb s ILE 35 Ca 0.03 -0.75 0.02 0.00 0.00 0.00 0.00 60.65 59.96 2cqb s ILE 35 Cb -0.01 -0.97 -0.02 0.00 0.01 0.00 0.00 42.46 41.47 2cqb s ILE 35 CO -0.03 0.22 -0.15 -1.10 0.00 0.00 0.00 174.94 173.87 2cqb s GLN 36 N -0.61 2.91 -0.31 2.79 1.11 0.43 -5.01 119.66 120.98 2cqb s GLN 36 Ca 0.04 -0.72 -0.02 0.00 0.01 0.00 0.00 55.36 54.67 2cqb s GLN 36 Cb -0.06 -2.46 0.10 0.00 -1.01 0.00 0.00 33.01 29.58 2cqb s GLN 36 CO 0.00 0.40 0.11 0.42 0.01 0.00 0.00 175.29 176.23 2cqb s ILE 37 N -0.15 0.61 -0.10 1.08 -1.09 -1.26 -2.04 121.20 118.24 2cqb s ILE 37 Ca -0.01 -1.25 -0.29 0.00 -2.23 0.00 0.00 60.65 56.87 2cqb s ILE 37 Cb -0.14 -1.47 -0.04 0.00 -1.58 0.00 0.00 42.46 39.23 2cqb s ILE 37 CO 0.03 -0.70 1.52 -2.16 -1.23 0.00 0.00 174.94 172.41 2cqb s PRO 38 N 1.72 4.18 0.19 2.79 0.04 -1.26 -5.01 135.00 137.66 2cqb s PRO 38 Ca 0.10 1.99 0.02 0.00 0.04 0.00 0.00 61.00 63.15 2cqb s PRO 38 Cb -0.17 -3.92 -0.05 0.00 0.04 0.00 0.00 34.50 30.40 2cqb s PRO 38 CO -0.28 -0.82 0.01 -0.51 0.04 0.00 0.00 177.00 175.44 2cqb s LEU 39 N 3.92 2.05 0.00 -3.56 1.43 -1.26 -4.49 118.68 116.78 2cqb s LEU 39 Ca 0.67 -1.21 -0.04 0.00 -1.03 0.00 0.00 54.13 52.52 2cqb s LEU 39 Cb -0.29 -0.08 0.10 0.00 0.03 0.00 0.00 46.19 45.95 2cqb s LEU 39 CO 0.25 -0.58 0.62 -0.67 0.23 0.00 0.00 176.35 176.20 2cqb n ASP 40 N -0.30 0.43 -0.07 2.29 2.03 -1.26 -4.85 116.55 114.82 2cqb n ASP 40 Ca -0.05 -1.46 -0.05 0.00 0.52 0.00 0.00 54.79 53.75 2cqb n ASP 40 Cb 0.64 -0.44 -0.13 0.00 -0.72 0.00 0.00 41.12 40.47 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 -2.54 0.00 0.01 -0.67 4.19 -1.26 -2.71 117.16 114.17 2cqb n TYR 41 Ca 0.09 0.00 -0.22 0.00 3.31 0.00 0.00 57.90 61.08 2cqb n TYR 41 Cb 0.32 -0.72 -0.14 0.00 0.49 0.00 0.00 39.34 39.29 2cqb n TYR 41 CO 0.00 0.00 0.00 0.93 0.91 0.00 0.00 176.86 178.70 2cqb h GLU 42 N 0.00 0.27 0.00 2.98 5.08 -2.02 -3.40 114.58 117.48 2cqb h GLU 42 Ca -0.36 -0.46 -0.02 0.00 -1.00 0.00 0.00 59.36 57.52 2cqb h GLU 42 Cb 1.78 0.17 -0.00 0.00 0.50 0.00 0.00 28.75 31.20 2cqb h GLU 42 CO 0.02 1.22 -1.43 0.25 -1.00 0.00 0.00 179.01 178.07 2cqb n THR 43 N -3.56 0.09 -2.94 1.13 -2.24 -1.26 -4.99 114.28 100.51 2cqb n THR 43 Ca -0.31 -0.22 -0.10 0.00 -2.27 0.00 0.00 64.05 61.15 2cqb n THR 43 Cb 1.03 0.13 -0.02 0.00 -2.10 0.00 0.00 70.33 69.37 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 -1.88 -2.52 -4.09 -0.78 0.28 -1.10 -4.82 120.64 105.72 2cqb n GLU 44 Ca -0.03 0.07 -0.36 0.00 -0.16 0.00 0.00 57.16 56.68 2cqb n GLU 44 Cb 0.31 -4.60 -0.08 0.00 1.43 0.00 0.00 31.44 28.50 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 -5.49 3.41 0.29 3.44 1.02 -1.26 -4.47 119.74 116.67 2cqb s LYS 45 Ca 0.18 -0.29 -0.28 0.00 0.02 0.00 0.00 55.97 55.61 2cqb s LYS 45 Cb -0.11 -3.05 -0.09 0.00 -0.52 0.00 0.00 37.83 34.06 2cqb s LYS 45 CO 0.23 0.62 0.99 -3.38 -0.92 0.00 0.00 175.35 172.88 2cqb s HIS 46 N -0.61 3.73 0.21 3.18 -3.43 -1.26 -4.32 115.29 112.79 2cqb s HIS 46 Ca 0.11 1.80 0.02 0.00 -0.80 0.00 0.00 55.06 56.19 2cqb s HIS 46 Cb -0.12 -3.05 0.16 0.00 -1.43 0.00 0.00 32.58 28.14 2cqb s HIS 46 CO 0.02 0.04 1.50 -0.09 -2.00 0.00 0.00 174.74 174.22 2cqb h ARG 47 N 3.60 0.32 0.00 -0.38 2.43 -1.98 -3.46 114.38 114.91 2cqb h ARG 47 Ca -0.46 -0.24 0.00 0.00 -0.81 0.00 0.00 59.98 58.47 2cqb h ARG 47 Cb 1.20 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.79 2cqb h ARG 47 CO 0.66 0.86 0.00 0.41 -1.51 0.00 0.00 179.97 180.40 2cqb n GLY 48 N 0.39 -0.09 3.70 2.80 0.00 -1.26 -4.95 105.19 105.78 2cqb n GLY 48 Ca -0.03 -0.03 -0.01 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.08 0.12 1.61 -0.71 -1.26 -1.74 117.98 115.92 2cqb s PHE 49 Ca 0.00 -0.14 -0.14 0.00 -1.04 0.00 0.00 56.93 55.61 2cqb s PHE 49 Cb 0.00 0.60 0.05 0.00 -1.21 0.00 0.00 43.02 42.46 2cqb s PHE 49 CO 0.00 -0.57 0.69 0.00 -1.34 0.00 0.00 175.22 174.00 2cqb n ALA 50 N -0.50 -1.79 -3.69 1.99 0.00 -0.64 -4.75 120.51 111.13 2cqb n ALA 50 Ca -0.07 -0.68 -0.21 0.00 0.00 0.00 0.00 53.44 52.48 2cqb n ALA 50 Cb 0.62 0.38 -0.18 0.00 0.00 0.00 0.00 19.45 20.27 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 -3.41 0.24 -0.14 0.00 0.40 -0.87 -1.75 117.98 112.46 2cqb s PHE 51 Ca 0.15 0.09 -0.05 0.00 -0.60 0.00 0.00 56.93 56.53 2cqb s PHE 51 Cb -0.02 -0.59 -0.04 0.00 0.51 0.00 0.00 43.02 42.89 2cqb s PHE 51 CO 0.04 -0.25 0.03 0.08 0.70 0.00 0.00 175.22 175.81 2cqb s VAL 52 N 2.11 4.54 -0.37 -0.44 1.01 0.32 -0.43 120.40 127.14 2cqb s VAL 52 Ca 0.05 -0.14 -0.13 0.00 0.00 0.00 0.00 61.98 61.76 2cqb s VAL 52 Cb -0.12 -2.98 0.01 0.00 0.00 0.00 0.00 36.38 33.28 2cqb s VAL 52 CO -0.04 0.53 0.24 -0.70 0.00 0.00 0.00 175.10 175.13 2cqb s GLU 53 N -0.18 3.16 0.22 2.72 2.12 0.68 -0.06 118.70 127.37 2cqb s GLU 53 Ca 0.06 -0.87 -0.16 0.00 0.36 0.00 0.00 54.97 54.36 2cqb s GLU 53 Cb -0.12 -3.81 -0.08 0.00 0.26 0.00 0.00 34.13 30.38 2cqb s GLU 53 CO 0.02 -0.59 0.67 -0.06 -0.54 0.00 0.00 175.26 174.75 2cqb s PHE 54 N 1.66 3.56 0.13 5.30 0.40 -0.72 -0.19 117.98 128.13 2cqb s PHE 54 Ca 0.05 1.22 -0.21 0.00 -0.60 0.00 0.00 56.93 57.39 2cqb s PHE 54 Cb -0.18 -2.51 -0.01 0.00 0.51 0.00 0.00 43.02 40.83 2cqb s PHE 54 CO 0.09 0.31 1.68 1.49 0.70 0.00 0.00 175.22 179.49 2cqb h GLU 55 N 3.15 -0.08 0.00 0.44 4.57 -1.90 -3.45 114.58 117.31 2cqb h GLU 55 Ca -0.48 0.01 -0.55 0.00 -1.18 0.00 0.00 59.36 57.16 2cqb h GLU 55 Cb 1.19 0.02 -0.08 0.00 -0.16 0.00 0.00 28.75 29.71 2cqb h GLU 55 CO 0.66 -0.05 -0.35 1.28 -1.18 0.00 0.00 179.01 179.37 2cqb n LEU 56 N -5.26 0.00 -0.10 1.64 4.77 -1.26 -5.07 117.00 111.72 2cqb n LEU 56 Ca -0.02 -2.68 -0.23 0.00 -0.03 0.00 0.00 56.01 53.05 2cqb n LEU 56 Cb 0.18 0.17 -0.12 0.00 -2.33 0.00 0.00 43.42 41.32 2cqb n LEU 56 CO 0.22 -0.46 -0.68 0.00 -1.33 0.00 0.00 177.39 175.14 2cqb n ALA 57 N -1.76 0.85 -0.08 -1.18 0.00 -1.26 -3.94 120.51 113.15 2cqb n ALA 57 Ca -0.17 -0.58 -0.05 0.00 0.00 0.00 0.00 53.44 52.64 2cqb n ALA 57 Cb 0.56 -0.48 -0.04 0.00 0.00 0.00 0.00 19.45 19.50 2cqb n ALA 57 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2cqb h GLU 58 N -0.91 -0.11 -0.87 0.00 5.08 -1.99 0.65 114.58 116.44 2cqb h GLU 58 Ca -0.41 0.01 0.22 0.00 -1.00 0.00 0.00 59.36 58.19 2cqb h GLU 58 Cb 1.41 0.03 -0.13 0.00 0.50 0.00 0.00 28.75 30.55 2cqb h GLU 58 CO -0.22 -0.07 0.26 0.38 -1.00 0.00 0.00 179.01 178.36 2cqb h ASP 59 N -0.12 0.07 0.08 1.42 2.03 -1.94 -0.15 116.42 117.82 2cqb h ASP 59 Ca 0.04 0.18 0.02 0.00 -0.73 0.00 0.00 57.03 56.54 2cqb h ASP 59 Cb 0.21 0.23 -0.03 0.00 -0.83 0.00 0.00 39.33 38.91 2cqb h ASP 59 CO -0.26 -0.11 -0.20 0.00 -1.03 0.00 0.00 179.24 177.64 2cqb h ALA 60 N 1.75 -0.31 -0.72 4.15 0.00 -1.12 -1.21 119.26 121.80 2cqb h ALA 60 Ca 0.54 -0.02 0.13 0.00 0.00 0.00 0.00 54.91 55.55 2cqb h ALA 60 Cb 1.06 0.32 -0.09 0.00 0.00 0.00 0.00 17.79 19.08 2cqb h ALA 60 CO -0.61 -0.72 0.28 0.00 0.00 0.00 0.00 179.25 178.20 2cqb h ALA 61 N 0.47 0.99 -0.82 0.00 0.00 0.87 -0.36 119.26 120.40 2cqb h ALA 61 Ca 0.03 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 2cqb h ALA 61 Cb 0.40 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.22 2cqb h ALA 61 CO -0.13 -0.20 0.42 0.00 0.00 0.00 0.00 179.25 179.35 2cqb h ALA 62 N 1.51 1.19 -0.90 0.00 0.00 -0.90 -2.05 119.26 118.12 2cqb h ALA 62 Ca 0.38 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.16 2cqb h ALA 62 Cb 0.55 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 2cqb h ALA 62 CO -0.38 0.63 0.58 0.00 0.00 0.00 0.00 179.25 180.08 2cqb h ALA 63 N 1.30 1.14 0.51 0.00 0.00 0.13 -2.70 119.26 119.65 2cqb h ALA 63 Ca 0.29 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 2cqb h ALA 63 Cb 0.07 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.50 2cqb h ALA 63 CO -0.04 0.56 -0.24 0.82 0.00 0.00 0.00 179.25 180.35 2cqb h ILE 64 N 1.23 0.31 -0.96 0.00 2.04 -0.97 0.24 117.51 119.39 2cqb h ILE 64 Ca 0.33 -0.46 0.28 0.00 1.00 0.00 0.00 64.86 66.00 2cqb h ILE 64 Cb -0.11 0.44 -0.04 0.00 -0.74 0.00 0.00 36.82 36.37 2cqb h ILE 64 CO -0.07 0.05 0.93 0.44 0.00 0.00 0.00 178.15 179.50 2cqb h ASP 65 N -1.03 0.00 0.00 1.72 5.19 -1.33 0.42 116.42 121.39 2cqb h ASP 65 Ca -0.07 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.34 2cqb h ASP 65 Cb 0.60 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.11 2cqb h ASP 65 CO 0.11 0.00 0.00 0.59 -3.12 0.00 0.00 179.24 176.82 2cqb n ASN 66 N -3.62 0.00 -0.05 6.45 3.02 -1.02 -4.37 115.26 115.66 2cqb n ASN 66 Ca 0.21 0.07 0.21 0.00 -0.03 0.00 0.00 54.58 55.04 2cqb n ASN 66 Cb 1.24 -0.24 0.42 0.00 -0.61 0.00 0.00 39.78 40.59 2cqb n ASN 66 CO 0.00 0.00 0.00 0.24 -2.62 0.00 0.00 177.26 174.88 2cqb h MET 67 N 0.00 0.00 -6.13 3.52 2.86 -0.39 -3.39 114.93 111.41 2cqb h MET 67 Ca 0.00 0.00 -0.64 0.00 -2.06 0.00 0.00 59.70 57.00 2cqb h MET 67 Cb 0.00 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.66 2cqb h MET 67 CO 0.00 0.00 1.24 -1.71 1.06 0.00 0.00 176.91 177.50 2cqb n ASN 68 N -3.16 2.90 -3.84 1.22 2.85 0.15 -1.07 115.26 114.31 2cqb n ASN 68 Ca 0.16 0.70 -0.28 0.00 -0.11 0.00 0.00 54.58 55.05 2cqb n ASN 68 Cb 1.26 -1.34 0.03 0.00 1.24 0.00 0.00 39.78 40.98 2cqb n ASN 68 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 2cqb n GLU 69 N 7.32 -5.60 -2.70 1.20 1.02 -0.67 -4.94 120.64 116.26 2cqb n GLU 69 Ca 0.30 0.62 -0.22 0.00 -0.02 0.00 0.00 57.16 57.84 2cqb n GLU 69 Cb 0.28 -5.45 0.09 0.00 -0.02 0.00 0.00 31.44 26.33 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 -3.57 4.67 -0.33 1.62 0.01 -0.23 -4.82 113.70 111.05 2cqb s SER 70 Ca 0.50 -0.43 -0.07 0.00 1.31 0.00 0.00 55.95 57.26 2cqb s SER 70 Cb -0.25 -0.08 0.03 0.00 0.21 0.00 0.00 66.02 65.93 2cqb s SER 70 CO 0.82 -1.62 0.11 -0.70 0.41 0.00 0.00 173.24 172.26 2cqb s GLU 71 N -4.97 2.82 -0.02 12.44 2.12 -1.26 -2.26 118.70 127.58 2cqb s GLU 71 Ca 0.64 -1.05 0.01 0.00 0.36 0.00 0.00 54.97 54.92 2cqb s GLU 71 Cb -0.06 -3.48 0.02 0.00 0.26 0.00 0.00 34.13 30.87 2cqb s GLU 71 CO 0.42 -0.60 -0.01 -1.17 -0.54 0.00 0.00 175.26 173.37 2cqb s LEU 72 N 1.46 1.44 -1.49 2.70 2.96 0.11 -4.80 118.68 121.07 2cqb s LEU 72 Ca 0.00 -0.04 0.00 0.00 -0.22 0.00 0.00 54.13 53.88 2cqb s LEU 72 Cb -0.19 -0.20 0.00 0.00 0.50 0.00 0.00 46.19 46.31 2cqb s LEU 72 CO 0.03 -0.06 0.00 0.49 -1.32 0.00 0.00 176.35 175.50 2cqb n PHE 73 N 3.77 -0.37 -1.21 5.38 3.01 -1.26 -1.80 117.46 124.99 2cqb n PHE 73 Ca -0.22 0.00 -0.04 0.00 1.01 0.00 0.00 57.45 58.19 2cqb n PHE 73 Cb 0.53 -2.97 -0.02 0.00 -0.01 0.00 0.00 39.48 37.02 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 -1.04 0.66 3.40 1.37 0.00 -1.26 -5.01 105.19 103.31 2cqb n GLY 74 Ca -0.17 -0.86 -0.10 0.00 0.00 0.00 0.00 46.02 44.89 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 -2.52 1.29 0.12 1.61 3.03 -0.74 -5.15 118.95 116.59 2cqb s ARG 75 Ca 0.00 -1.24 -0.15 0.00 2.03 0.00 0.00 55.73 56.37 2cqb s ARG 75 Cb 0.00 0.40 -0.07 0.00 -1.03 0.00 0.00 34.95 34.25 2cqb s ARG 75 CO 0.00 -0.49 0.53 0.99 -1.13 0.00 0.00 175.30 175.19 2cqb s THR 76 N -4.00 4.88 0.08 4.99 2.01 -1.26 0.09 115.64 122.43 2cqb s THR 76 Ca 0.21 0.84 0.06 0.00 0.31 0.00 0.00 61.69 63.12 2cqb s THR 76 Cb 0.02 -3.75 -0.03 0.00 0.01 0.00 0.00 72.50 68.76 2cqb s THR 76 CO 0.04 0.32 -0.17 0.27 -0.69 0.00 0.00 174.62 174.39 2cqb s ILE 77 N -1.38 1.34 -0.18 1.82 -4.36 -0.96 -4.72 121.20 112.76 2cqb s ILE 77 Ca 0.35 -1.38 -0.06 0.00 -0.26 0.00 0.00 60.65 59.30 2cqb s ILE 77 Cb -0.16 -1.25 -0.04 0.00 1.25 0.00 0.00 42.46 42.26 2cqb s ILE 77 CO 0.19 -0.15 0.03 -0.13 0.24 0.00 0.00 174.94 175.12 2cqb s ARG 78 N -1.76 3.85 -0.04 0.37 0.52 -0.77 -1.66 118.95 119.46 2cqb s ARG 78 Ca 0.01 -0.41 0.05 0.00 -0.52 0.00 0.00 55.73 54.86 2cqb s ARG 78 Cb -0.10 -3.13 -0.01 0.00 0.52 0.00 0.00 34.95 32.24 2cqb s ARG 78 CO 0.03 0.23 -0.20 0.08 0.02 0.00 0.00 175.30 175.46 2cqb s VAL 79 N 0.47 1.64 -0.10 3.52 1.01 -1.26 0.40 120.40 126.08 2cqb s VAL 79 Ca 0.01 -0.84 -0.32 0.00 0.00 0.00 0.00 61.98 60.83 2cqb s VAL 79 Cb -0.13 -1.40 0.12 0.00 0.00 0.00 0.00 36.38 34.98 2cqb s VAL 79 CO 0.01 0.47 1.17 0.21 0.00 0.00 0.00 175.10 176.96 2cqb s ASN 80 N -0.07 -0.15 0.38 3.32 2.47 -0.44 -4.68 114.94 115.77 2cqb s ASN 80 Ca -0.03 -0.06 -0.25 0.00 0.42 0.00 0.00 52.86 52.94 2cqb s ASN 80 Cb -0.12 0.20 -0.12 0.00 -1.45 0.00 0.00 41.25 39.77 2cqb s ASN 80 CO 0.02 -0.34 0.97 0.18 -3.72 0.00 0.00 177.10 174.21 2cqb n LEU 81 N -0.24 2.13 -4.77 3.21 4.77 -1.26 0.26 117.00 121.10 2cqb n LEU 81 Ca -0.04 1.07 -0.41 0.00 -0.03 0.00 0.00 56.01 56.60 2cqb n LEU 81 Cb 0.60 -1.31 0.01 0.00 -2.33 0.00 0.00 43.42 40.39 2cqb n LEU 81 CO 0.10 -1.58 1.11 0.00 -1.33 0.00 0.00 177.39 175.68 2cqb n ALA 82 N -0.32 2.21 -1.72 -1.18 0.00 -1.02 -4.60 120.51 113.89 2cqb n ALA 82 Ca 0.10 0.29 -0.33 0.00 0.00 0.00 0.00 53.44 53.50 2cqb n ALA 82 Cb 0.37 -2.41 -0.01 0.00 0.00 0.00 0.00 19.45 17.41 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 -2.28 3.52 -0.56 0.00 -2.85 -1.26 -4.95 119.74 111.36 2cqb s LYS 83 Ca 0.57 1.26 -0.27 0.00 -1.00 0.00 0.00 55.97 56.53 2cqb s LYS 83 Cb -0.46 -2.06 -0.02 0.00 -2.06 0.00 0.00 37.83 33.23 2cqb s LYS 83 CO 0.61 -0.65 1.83 -1.25 0.10 0.00 0.00 175.35 175.98 2cqb s PRO 84 N -3.75 2.78 0.80 1.78 0.04 -1.26 -4.97 135.00 130.41 2cqb s PRO 84 Ca 0.65 0.75 -0.13 0.00 0.04 0.00 0.00 61.00 62.31 2cqb s PRO 84 Cb -0.16 -4.34 0.08 0.00 0.04 0.00 0.00 34.50 30.12 2cqb s PRO 84 CO 0.30 -2.54 1.18 0.00 0.04 0.00 0.00 177.00 175.98 2cqb s MET 85 N 6.73 1.73 0.14 4.56 0.23 -1.26 -5.04 119.30 126.38 2cqb s MET 85 Ca 0.69 1.66 0.09 0.00 -1.03 0.00 0.00 55.69 57.09 2cqb s MET 85 Cb -0.14 -1.80 -0.04 0.00 -1.53 0.00 0.00 34.83 31.32 2cqb s MET 85 CO 0.23 -2.13 -0.20 1.03 -2.03 0.00 0.00 175.02 171.93 2cqb s ARG 86 N -4.24 1.25 0.09 3.16 1.81 -1.26 -5.15 118.95 114.61 2cqb s ARG 86 Ca 0.71 -1.33 0.10 0.00 -1.72 0.00 0.00 55.73 53.49 2cqb s ARG 86 Cb -0.26 -1.42 -0.03 0.00 -0.45 0.00 0.00 34.95 32.79 2cqb s ARG 86 CO 0.51 0.31 -0.25 0.96 -0.68 0.00 0.00 175.30 176.14 2cqb s ILE 87 N -1.67 2.08 -0.01 1.52 -4.36 -1.26 -5.03 121.20 112.47 2cqb s ILE 87 Ca 0.13 -1.55 0.09 0.00 -0.26 0.00 0.00 60.65 59.06 2cqb s ILE 87 Cb -0.08 -1.82 -0.14 0.00 1.25 0.00 0.00 42.46 41.67 2cqb s ILE 87 CO 0.06 0.17 0.20 1.17 0.24 0.00 0.00 174.94 176.78 2cqb n LYS 88 N 1.31 0.34 -3.94 0.37 3.00 -1.26 -4.99 118.16 112.99 2cqb n LYS 88 Ca -0.18 -0.08 -0.36 0.00 -0.00 0.00 0.00 58.31 57.69 2cqb n LYS 88 Cb 0.53 -1.22 -0.07 0.00 0.00 0.00 0.00 35.03 34.27 2cqb n LYS 88 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 2cqb s GLU 89 N -2.63 3.58 0.05 1.64 2.02 -1.26 -4.98 118.70 117.11 2cqb s GLU 89 Ca -0.03 -0.22 0.00 0.00 0.02 0.00 0.00 54.97 54.74 2cqb s GLU 89 Cb 0.06 -3.17 0.00 0.00 0.10 0.00 0.00 34.13 31.11 2cqb s GLU 89 CO 0.38 0.62 0.00 0.45 0.02 0.00 0.00 175.26 176.73 2cqb n SER 90 N 2.49 0.35 -0.97 -0.19 2.88 -1.26 -5.15 113.62 111.78 2cqb n SER 90 Ca -0.19 0.07 0.00 0.00 -1.33 0.00 0.00 58.87 57.43 2cqb n SER 90 Cb 0.54 -0.09 0.00 0.00 -0.75 0.00 0.00 64.21 63.91 2cqb n SER 90 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2cqb n GLY 91 N 2.96 -2.40 3.77 0.46 0.00 -1.26 -5.04 105.19 103.68 2cqb n GLY 91 Ca 0.00 -0.59 -0.31 0.00 0.00 0.00 0.00 46.02 45.11 2cqb n GLY 91 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2cqb s PRO 92 N -1.67 2.32 -0.07 1.61 0.04 -1.26 -5.06 135.00 130.91 2cqb s PRO 92 Ca 0.00 1.20 0.01 0.00 0.04 0.00 0.00 61.00 62.25 2cqb s PRO 92 Cb 0.00 -1.90 0.02 0.00 0.04 0.00 0.00 34.50 32.66 2cqb s PRO 92 CO 0.00 -1.60 -0.07 -1.54 0.04 0.00 0.00 177.00 173.83 2cqb s SER 93 N -3.28 1.57 0.02 6.66 1.04 -1.26 -5.03 113.70 113.42 2cqb s SER 93 Ca 0.62 -0.22 -0.04 0.00 0.48 0.00 0.00 55.95 56.79 2cqb s SER 93 Cb -0.18 -0.65 -0.01 0.00 0.10 0.00 0.00 66.02 65.28 2cqb s SER 93 CO 0.54 -0.06 -0.08 -1.20 0.98 0.00 0.00 173.24 173.42 2cqb n SER 94 N 4.33 1.21 0.00 7.02 7.64 -1.26 -5.36 113.62 127.20 2cqb n SER 94 Ca -0.19 0.17 0.00 0.00 1.01 0.00 0.00 58.87 59.86 2cqb n SER 94 Cb 0.51 -0.42 0.00 0.00 -1.01 0.00 0.00 64.21 63.29 2cqb n SER 94 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64