#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 -0.42 0.20 1.61 1.04 -1.26 -5.19 113.70 109.68 2cqb s SER -5 Ca 0.00 -0.27 -0.05 0.00 0.48 0.00 0.00 55.95 56.11 2cqb s SER -5 Cb 0.00 0.65 -0.03 0.00 0.10 0.00 0.00 66.02 66.74 2cqb s SER -5 CO 0.00 -1.12 0.23 -0.44 0.98 0.00 0.00 173.24 172.90 2cqb s SER -4 N -2.82 0.09 -0.27 7.02 0.01 -1.26 -5.15 113.70 111.32 2cqb s SER -4 Ca 0.06 -1.18 -0.01 0.00 1.31 0.00 0.00 55.95 56.12 2cqb s SER -4 Cb -0.03 0.43 0.12 0.00 0.21 0.00 0.00 66.02 66.76 2cqb s SER -4 CO -0.04 -0.91 0.27 -0.83 0.41 0.00 0.00 173.24 172.13 2cqb s GLY -3 N -3.08 -0.06 -0.19 3.44 0.00 -1.26 -5.11 107.32 101.05 2cqb s GLY -3 Ca 0.30 -0.26 -0.06 0.00 0.00 0.00 0.00 44.72 44.70 2cqb s GLY -3 CO 0.08 2.50 0.39 -1.35 0.00 0.00 0.00 173.10 174.72 2cqb s SER -2 N 2.33 -0.07 0.23 1.64 1.04 -1.26 -5.04 113.70 112.57 2cqb s SER -2 Ca 0.09 0.80 -0.13 0.00 0.48 0.00 0.00 55.95 57.19 2cqb s SER -2 Cb -0.14 1.20 0.29 0.00 0.10 0.00 0.00 66.02 67.47 2cqb s SER -2 CO -0.29 -0.24 1.59 0.28 0.98 0.00 0.00 173.24 175.55 2cqb h SER -1 N 8.19 -0.87 -6.49 7.02 0.02 -2.08 -3.45 113.55 115.89 2cqb h SER -1 Ca -0.16 0.24 -0.41 0.00 -0.84 0.00 0.00 61.79 60.62 2cqb h SER -1 Cb 1.12 0.53 0.01 0.00 0.14 0.00 0.00 62.40 64.19 2cqb h SER -1 CO 0.15 -0.27 -0.88 0.61 -1.14 0.00 0.00 176.83 175.29 2cqb n GLY 0 N -1.50 -1.22 3.76 -3.77 0.00 -1.26 -4.90 105.19 96.30 2cqb n GLY 0 Ca 0.10 0.54 -0.39 0.00 0.00 0.00 0.00 46.02 46.27 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 -5.02 4.76 -0.24 1.61 0.00 -1.26 -5.04 119.30 114.11 2cqb s MET 1 Ca 0.11 1.46 -0.28 0.00 0.00 0.00 0.00 55.69 56.98 2cqb s MET 1 Cb -0.05 -3.13 0.15 0.00 0.00 0.00 0.00 34.83 31.81 2cqb s MET 1 CO 0.88 0.42 1.18 0.00 0.00 0.00 0.00 175.02 177.50 2cqb s ALA 2 N -1.31 -2.04 -0.15 3.16 0.00 -1.26 -4.80 121.76 115.36 2cqb s ALA 2 Ca 0.44 1.74 -0.15 0.00 0.00 0.00 0.00 51.96 53.99 2cqb s ALA 2 Cb -0.24 -1.25 -0.24 0.00 0.00 0.00 0.00 23.12 21.39 2cqb s ALA 2 CO 0.30 -0.24 0.38 1.15 0.00 0.00 0.00 175.76 177.35 2cqb h THR 3 N 2.70 0.87 -3.64 0.00 2.02 -1.96 -3.44 112.91 109.46 2cqb h THR 3 Ca -0.19 -2.30 -0.61 0.00 0.77 0.00 0.00 66.41 64.08 2cqb h THR 3 Cb 1.18 2.48 -0.11 0.00 -1.74 0.00 0.00 68.15 69.95 2cqb h THR 3 CO 0.23 0.62 0.48 -0.89 0.37 0.00 0.00 175.52 176.34 2cqb s THR 4 N -2.46 4.56 -0.65 3.16 2.01 -1.26 -4.92 115.64 116.08 2cqb s THR 4 Ca -0.24 0.64 0.01 0.00 0.31 0.00 0.00 61.69 62.40 2cqb s THR 4 Cb 0.05 -4.38 0.41 0.00 0.01 0.00 0.00 72.50 68.59 2cqb s THR 4 CO 0.70 -0.76 1.75 1.17 -0.69 0.00 0.00 174.62 176.78 2cqb n LYS 5 N 6.95 2.98 -0.00 4.92 4.81 -1.26 -4.46 118.16 132.10 2cqb n LYS 5 Ca 0.05 -3.73 -0.00 0.00 -0.87 0.00 0.00 58.31 53.75 2cqb n LYS 5 Cb 0.48 -2.27 -0.00 0.00 0.02 0.00 0.00 35.03 33.26 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 -0.66 0.21 -2.76 1.64 1.74 -1.26 -4.54 116.66 111.03 2cqb n ARG 6 Ca 0.52 0.00 -0.43 0.00 -0.77 0.00 0.00 57.85 57.18 2cqb n ARG 6 Cb 0.53 -1.01 -0.03 0.00 -1.02 0.00 0.00 32.46 30.93 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 -2.01 4.65 0.01 1.55 1.01 -1.26 -2.65 120.40 121.71 2cqb s VAL 7 Ca -0.01 1.59 -0.02 0.00 0.00 0.00 0.00 61.98 63.55 2cqb s VAL 7 Cb 0.00 -4.29 -0.04 0.00 0.00 0.00 0.00 36.38 32.05 2cqb s VAL 7 CO 0.01 -0.33 0.19 -0.76 0.00 0.00 0.00 175.10 174.21 2cqb s LEU 8 N 3.30 4.37 -0.21 3.92 1.43 0.51 -1.94 118.68 130.05 2cqb s LEU 8 Ca 0.40 0.34 -0.06 0.00 -1.03 0.00 0.00 54.13 53.78 2cqb s LEU 8 Cb -0.13 -2.70 -0.03 0.00 0.03 0.00 0.00 46.19 43.36 2cqb s LEU 8 CO 0.12 0.24 0.02 -0.47 0.23 0.00 0.00 176.35 176.49 2cqb s TYR 9 N -1.37 3.06 -0.14 0.29 6.14 0.11 -0.86 117.35 124.58 2cqb s TYR 9 Ca 0.29 -0.44 -0.02 0.00 0.64 0.00 0.00 57.07 57.53 2cqb s TYR 9 Cb -0.13 -2.12 -0.02 0.00 0.42 0.00 0.00 41.96 40.11 2cqb s TYR 9 CO 0.21 -0.26 -0.06 0.08 0.64 0.00 0.00 175.55 176.16 2cqb s VAL 10 N 1.12 3.69 0.19 3.14 1.01 -0.35 -1.92 120.40 127.28 2cqb s VAL 10 Ca 0.03 -0.44 0.04 0.00 0.00 0.00 0.00 61.98 61.61 2cqb s VAL 10 Cb -0.14 -2.59 -0.05 0.00 0.00 0.00 0.00 36.38 33.60 2cqb s VAL 10 CO 0.02 0.51 -0.04 -0.83 0.00 0.00 0.00 175.10 174.76 2cqb s GLY 11 N 0.20 1.31 -0.66 4.51 0.00 0.01 -1.55 107.32 111.13 2cqb s GLY 11 Ca -0.04 -1.63 -0.02 0.00 0.00 0.00 0.00 44.72 43.04 2cqb s GLY 11 CO 0.03 -1.62 0.24 0.61 0.00 0.00 0.00 173.10 172.37 2cqb n GLY 12 N -0.30 0.16 3.92 0.20 0.00 -0.71 -1.04 105.19 107.43 2cqb n GLY 12 Ca -0.07 -0.41 -0.30 0.00 0.00 0.00 0.00 46.02 45.24 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 -3.07 2.66 0.48 0.99 1.43 -1.18 -4.39 118.68 115.61 2cqb s LEU 13 Ca 0.12 0.25 0.08 0.00 -1.03 0.00 0.00 54.13 53.55 2cqb s LEU 13 Cb -0.05 -2.25 0.04 0.00 0.03 0.00 0.00 46.19 43.95 2cqb s LEU 13 CO 0.15 -2.83 0.61 0.00 0.23 0.00 0.00 176.35 174.51 2cqb s ALA 14 N -3.88 4.53 -0.84 4.21 0.00 -1.26 -4.90 121.76 119.62 2cqb s ALA 14 Ca 0.75 -1.84 0.26 0.00 0.00 0.00 0.00 51.96 51.13 2cqb s ALA 14 Cb -0.04 -1.44 0.99 0.00 0.00 0.00 0.00 23.12 22.64 2cqb s ALA 14 CO 0.53 -0.49 1.81 -0.85 0.00 0.00 0.00 175.76 176.76 2cqb n GLU 15 N -1.95 0.12 -0.01 0.00 0.00 -1.26 -3.03 120.64 114.52 2cqb n GLU 15 Ca 0.10 0.15 0.11 0.00 0.00 0.00 0.00 57.16 57.51 2cqb n GLU 15 Cb 0.61 -1.66 -0.16 0.00 0.00 0.00 0.00 31.44 30.23 2cqb n GLU 15 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 2cqb n GLU 16 N -1.88 0.60 -2.63 3.44 2.13 -1.26 -4.94 120.64 116.10 2cqb n GLU 16 Ca 0.06 -0.17 -0.41 0.00 0.66 0.00 0.00 57.16 57.30 2cqb n GLU 16 Cb 0.35 -1.52 -0.05 0.00 0.27 0.00 0.00 31.44 30.49 2cqb n GLU 16 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 2cqb s VAL 17 N -3.47 4.03 0.31 6.31 1.01 -1.17 -4.90 120.40 122.53 2cqb s VAL 17 Ca -0.06 1.85 -0.12 0.00 0.00 0.00 0.00 61.98 63.64 2cqb s VAL 17 Cb 0.14 -4.18 0.02 0.00 0.00 0.00 0.00 36.38 32.36 2cqb s VAL 17 CO 0.90 0.36 0.59 1.51 0.00 0.00 0.00 175.10 178.47 2cqb s ASP 18 N -0.49 0.15 0.31 3.32 1.47 -1.26 -4.77 116.67 115.39 2cqb s ASP 18 Ca 0.46 -1.06 0.19 0.00 1.18 0.00 0.00 52.55 53.31 2cqb s ASP 18 Cb -0.27 0.69 1.09 0.00 -0.34 0.00 0.00 42.92 44.10 2cqb s ASP 18 CO 0.34 -1.35 1.25 -0.90 0.68 0.00 0.00 175.17 175.18 2cqb n ASP 19 N -0.89 0.25 0.40 2.11 5.75 -1.26 0.41 116.55 123.32 2cqb n ASP 19 Ca -0.03 1.27 -0.17 0.00 -0.01 0.00 0.00 54.79 55.85 2cqb n ASP 19 Cb 0.61 -0.62 -0.08 0.00 -1.03 0.00 0.00 41.12 40.00 2cqb n ASP 19 CO 0.00 0.00 0.00 0.11 -0.11 0.00 0.00 177.20 177.20 2cqb h LYS 20 N 0.00 -1.00 -0.51 0.11 1.57 -1.97 0.35 116.57 115.11 2cqb h LYS 20 Ca 0.68 0.07 0.04 0.00 -1.87 0.00 0.00 60.65 59.57 2cqb h LYS 20 Cb 1.89 0.23 -0.04 0.00 0.08 0.00 0.00 32.23 34.38 2cqb h LYS 20 CO -0.56 -0.66 0.27 0.28 -0.57 0.00 0.00 179.45 178.22 2cqb h VAL 21 N -1.24 0.97 0.00 0.50 2.07 -0.39 -1.16 116.25 117.01 2cqb h VAL 21 Ca -0.11 -0.18 -0.06 0.00 0.82 0.00 0.00 66.70 67.17 2cqb h VAL 21 Cb 0.81 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 30.97 2cqb h VAL 21 CO 0.17 0.10 -0.29 -0.07 0.02 0.00 0.00 177.57 177.50 2cqb h LEU 22 N 0.52 0.00 0.55 2.57 3.38 -0.73 -0.94 115.31 120.66 2cqb h LEU 22 Ca 0.22 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.17 2cqb h LEU 22 Cb 0.11 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.87 2cqb h LEU 22 CO -0.15 0.29 -0.26 -0.74 0.09 0.00 0.00 178.44 177.67 2cqb h HIS 23 N 0.00 -0.68 0.00 1.13 2.76 0.87 -0.79 115.15 118.44 2cqb h HIS 23 Ca -0.00 -0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.15 2cqb h HIS 23 Cb 0.59 0.22 0.00 0.00 1.55 0.00 0.00 27.41 29.77 2cqb h HIS 23 CO 0.00 -0.42 0.00 0.00 -1.30 0.00 0.00 177.93 176.21 2cqb n ALA 24 N -2.64 1.59 0.07 5.26 0.00 -0.68 0.63 120.51 124.74 2cqb n ALA 24 Ca -0.09 -0.01 0.11 0.00 0.00 0.00 0.00 53.44 53.44 2cqb n ALA 24 Cb 0.29 -1.24 -0.05 0.00 0.00 0.00 0.00 19.45 18.45 2cqb n ALA 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2cqb n ALA 25 N -1.56 2.55 0.02 0.00 0.00 -0.36 -4.18 120.51 116.98 2cqb n ALA 25 Ca 0.03 -0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.15 2cqb n ALA 25 Cb 0.16 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.61 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 -2.59 0.00 0.14 0.00 3.01 -0.31 -4.66 117.46 113.05 2cqb n PHE 26 Ca -0.02 0.00 0.06 0.00 1.01 0.00 0.00 57.45 58.51 2cqb n PHE 26 Cb 0.57 0.00 0.55 0.00 -0.01 0.00 0.00 39.48 40.59 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 0.09 1.04 0.15 4.37 6.09 0.03 -2.72 117.51 126.57 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 0.02 0.78 0.00 0.00 0.47 0.00 0.00 36.82 38.09 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 -0.27 2.19 0.11 -1.83 -3.01 132.00 129.25 2cqb h PRO 28 Ca 0.07 0.01 0.04 0.00 0.11 0.00 0.00 66.00 66.24 2cqb h PRO 28 Cb -0.02 0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.13 2cqb h PRO 28 CO -0.01 0.10 0.18 0.74 -0.21 0.00 0.00 178.00 178.79 2cqb h PHE 29 N -0.48 0.16 -1.45 0.65 0.04 -1.83 -3.44 116.94 110.61 2cqb h PHE 29 Ca -0.02 0.00 0.10 0.00 2.80 0.00 0.00 57.97 60.86 2cqb h PHE 29 Cb 0.38 -0.05 -0.28 0.00 2.20 0.00 0.00 35.95 38.19 2cqb h PHE 29 CO 0.02 0.09 0.56 0.20 -0.60 0.00 0.00 178.31 178.57 2cqb s GLY 30 N -3.94 0.02 -0.68 -1.45 0.00 -1.05 -4.72 107.32 95.51 2cqb s GLY 30 Ca -0.06 2.99 -0.28 0.00 0.00 0.00 0.00 44.72 47.37 2cqb s GLY 30 CO 0.70 2.01 1.91 1.22 0.00 0.00 0.00 173.10 178.94 2cqb n ASP 31 N 2.32 1.31 -3.83 1.64 8.00 -1.23 -4.17 116.55 120.60 2cqb n ASP 31 Ca -0.13 -2.51 -0.55 0.00 0.71 0.00 0.00 54.79 52.31 2cqb n ASP 31 Cb 0.56 -1.26 -0.08 0.00 -0.02 0.00 0.00 41.12 40.32 2cqb n ASP 31 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 2cqb n ILE 32 N 8.20 0.00 -0.07 0.53 5.41 -1.26 -4.17 119.36 127.99 2cqb n ILE 32 Ca 0.44 0.00 -0.11 0.00 1.00 0.00 0.00 62.75 64.08 2cqb n ILE 32 Cb 0.45 -0.40 -0.15 0.00 -0.71 0.00 0.00 39.64 38.83 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 3.24 1.48 -3.62 1.39 -2.24 -1.11 -4.97 114.28 108.44 2cqb n THR 33 Ca 0.25 -0.80 -0.15 0.00 -2.27 0.00 0.00 64.05 61.08 2cqb n THR 33 Cb -0.05 -0.78 -0.07 0.00 -2.10 0.00 0.00 70.33 67.33 2cqb n THR 33 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2cqb s ASP 34 N -5.84 -0.42 0.02 3.42 1.01 -1.25 -5.07 116.67 108.54 2cqb s ASP 34 Ca -0.11 0.32 0.01 0.00 0.71 0.00 0.00 52.55 53.48 2cqb s ASP 34 Cb 0.07 0.45 -0.02 0.00 1.01 0.00 0.00 42.92 44.43 2cqb s ASP 34 CO 0.80 -0.59 -0.05 -0.63 0.21 0.00 0.00 175.17 174.91 2cqb s ILE 35 N -1.66 0.36 -0.09 0.77 1.01 -1.26 -1.03 121.20 119.30 2cqb s ILE 35 Ca -0.10 -0.76 0.03 0.00 0.00 0.00 0.00 60.65 59.82 2cqb s ILE 35 Cb -0.02 -0.41 0.01 0.00 0.01 0.00 0.00 42.46 42.05 2cqb s ILE 35 CO 0.04 -0.27 -0.17 -1.10 0.00 0.00 0.00 174.94 173.44 2cqb s GLN 36 N -1.10 2.35 -0.14 2.79 1.11 0.25 -5.00 119.66 119.91 2cqb s GLN 36 Ca -0.08 -0.63 0.01 0.00 0.01 0.00 0.00 55.36 54.67 2cqb s GLN 36 Cb -0.07 -1.88 0.02 0.00 -1.01 0.00 0.00 33.01 30.07 2cqb s GLN 36 CO -0.00 0.06 -0.15 0.42 0.01 0.00 0.00 175.29 175.63 2cqb s ILE 37 N 0.64 1.56 -0.35 1.08 -1.09 -1.26 -1.50 121.20 120.28 2cqb s ILE 37 Ca -0.14 -0.64 -0.28 0.00 -2.23 0.00 0.00 60.65 57.36 2cqb s ILE 37 Cb -0.16 -1.45 -0.01 0.00 -1.58 0.00 0.00 42.46 39.25 2cqb s ILE 37 CO 0.04 0.46 1.70 -2.16 -1.23 0.00 0.00 174.94 173.75 2cqb s PRO 38 N 1.33 3.40 0.10 2.79 0.04 -1.26 -4.99 135.00 136.42 2cqb s PRO 38 Ca 0.01 1.31 0.09 0.00 0.04 0.00 0.00 61.00 62.45 2cqb s PRO 38 Cb -0.13 -4.15 -0.04 0.00 0.04 0.00 0.00 34.50 30.22 2cqb s PRO 38 CO -0.08 -1.77 -0.22 -0.51 0.04 0.00 0.00 177.00 174.45 2cqb s LEU 39 N 6.49 2.30 1.02 -3.56 1.43 -1.26 -3.75 118.68 121.35 2cqb s LEU 39 Ca 0.75 -0.69 -0.15 0.00 -1.03 0.00 0.00 54.13 53.01 2cqb s LEU 39 Cb -0.20 -0.97 0.20 0.00 0.03 0.00 0.00 46.19 45.25 2cqb s LEU 39 CO 0.33 0.09 1.16 -1.81 0.23 0.00 0.00 176.35 176.36 2cqb s ASP 40 N -1.90 2.54 0.00 2.29 1.01 -1.14 -4.81 116.67 114.66 2cqb s ASP 40 Ca 0.08 0.75 0.21 0.00 0.71 0.00 0.00 52.55 54.30 2cqb s ASP 40 Cb -0.10 -1.13 0.04 0.00 1.01 0.00 0.00 42.92 42.74 2cqb s ASP 40 CO 0.04 -3.14 1.07 0.00 0.21 0.00 0.00 175.17 173.35 2cqb n TYR 41 N -4.12 0.00 0.00 4.23 4.11 -1.26 -2.81 117.16 117.31 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 0.59 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.93 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 0.29 2.03 -0.01 -3.48 0.28 -1.26 -4.80 120.64 113.70 2cqb n GLU 42 Ca 0.10 0.00 0.04 0.00 -0.16 0.00 0.00 57.16 57.13 2cqb n GLU 42 Cb 0.46 -0.97 -0.07 0.00 1.43 0.00 0.00 31.44 32.29 2cqb n GLU 42 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 2cqb n THR 43 N -2.16 0.09 -3.45 3.84 -2.24 -1.26 -5.01 114.28 104.08 2cqb n THR 43 Ca 0.00 -0.24 -0.25 0.00 -2.27 0.00 0.00 64.05 61.29 2cqb n THR 43 Cb 0.47 0.14 0.03 0.00 -2.10 0.00 0.00 70.33 68.86 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 -1.90 -4.94 -4.31 -0.78 4.71 -1.12 -4.84 120.64 107.44 2cqb n GLU 44 Ca -0.04 0.68 -0.27 0.00 -0.01 0.00 0.00 57.16 57.52 2cqb n GLU 44 Cb 0.33 -5.53 -0.10 0.00 -1.01 0.00 0.00 31.44 25.13 2cqb n GLU 44 CO 0.00 0.00 0.00 0.15 0.09 0.00 0.00 177.13 177.37 2cqb s LYS 45 N -6.13 1.94 0.09 3.49 1.02 -1.26 -4.53 119.74 114.35 2cqb s LYS 45 Ca 0.47 -1.30 0.02 0.00 0.02 0.00 0.00 55.97 55.18 2cqb s LYS 45 Cb -0.23 -2.10 -0.04 0.00 -0.52 0.00 0.00 37.83 34.94 2cqb s LYS 45 CO 0.58 0.43 0.14 -3.38 -0.92 0.00 0.00 175.35 172.20 2cqb s HIS 46 N -1.64 3.32 -0.07 3.18 -3.43 -1.25 -2.87 115.29 112.52 2cqb s HIS 46 Ca 0.23 0.13 -0.17 0.00 -0.80 0.00 0.00 55.06 54.45 2cqb s HIS 46 Cb -0.09 -1.66 -0.13 0.00 -1.43 0.00 0.00 32.58 29.27 2cqb s HIS 46 CO 0.14 0.54 0.65 0.00 -2.00 0.00 0.00 174.74 174.07 2cqb h ARG 47 N 3.07 -0.16 0.00 -0.38 2.47 -2.01 -3.47 114.38 113.90 2cqb h ARG 47 Ca -0.46 0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.27 2cqb h ARG 47 Cb 1.17 0.04 0.00 0.00 -1.65 0.00 0.00 29.97 29.52 2cqb h ARG 47 CO 0.69 0.25 0.00 0.41 0.56 0.00 0.00 179.97 181.88 2cqb n GLY 48 N 1.00 -0.36 3.64 0.04 0.00 -1.26 -4.96 105.19 103.28 2cqb n GLY 48 Ca -0.06 0.14 -0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 -0.07 0.06 1.61 -0.12 -1.26 -1.73 117.98 116.47 2cqb s PHE 49 Ca 0.00 -0.06 -0.25 0.00 -0.05 0.00 0.00 56.93 56.57 2cqb s PHE 49 Cb 0.00 0.56 0.08 0.00 -0.63 0.00 0.00 43.02 43.03 2cqb s PHE 49 CO 0.00 -0.36 1.15 0.00 -0.05 0.00 0.00 175.22 175.96 2cqb n ALA 50 N -0.44 -3.16 -3.44 1.99 0.00 -0.60 -4.41 120.51 110.46 2cqb n ALA 50 Ca -0.07 -0.87 -0.26 0.00 0.00 0.00 0.00 53.44 52.24 2cqb n ALA 50 Cb 0.62 0.31 -0.17 0.00 0.00 0.00 0.00 19.45 20.21 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 -2.11 1.63 -0.09 0.00 0.40 -0.56 -1.21 117.98 116.03 2cqb s PHE 51 Ca 0.27 -0.62 0.01 0.00 -0.60 0.00 0.00 56.93 55.98 2cqb s PHE 51 Cb -0.02 -1.17 -0.02 0.00 0.51 0.00 0.00 43.02 42.32 2cqb s PHE 51 CO 0.02 -0.31 -0.10 0.08 0.70 0.00 0.00 175.22 175.61 2cqb s VAL 52 N 0.64 3.41 -0.24 -0.44 1.01 -0.04 -0.59 120.40 124.16 2cqb s VAL 52 Ca -0.15 -0.57 -0.09 0.00 0.00 0.00 0.00 61.98 61.17 2cqb s VAL 52 Cb -0.16 -2.41 -0.04 0.00 0.00 0.00 0.00 36.38 33.77 2cqb s VAL 52 CO 0.04 0.56 0.12 -0.70 0.00 0.00 0.00 175.10 175.13 2cqb s GLU 53 N -0.32 3.93 0.25 2.72 2.12 -0.19 -0.37 118.70 126.84 2cqb s GLU 53 Ca 0.04 -0.34 -0.02 0.00 0.36 0.00 0.00 54.97 55.00 2cqb s GLU 53 Cb -0.13 -3.45 -0.05 0.00 0.26 0.00 0.00 34.13 30.77 2cqb s GLU 53 CO 0.02 -0.00 0.47 -0.06 -0.54 0.00 0.00 175.26 175.16 2cqb s PHE 54 N 1.18 3.48 0.26 5.30 0.40 -1.08 -2.75 117.98 124.77 2cqb s PHE 54 Ca 0.06 0.47 -0.03 0.00 -0.60 0.00 0.00 56.93 56.84 2cqb s PHE 54 Cb -0.14 -1.96 0.33 0.00 0.51 0.00 0.00 43.02 41.75 2cqb s PHE 54 CO 0.05 0.27 1.77 1.49 0.70 0.00 0.00 175.22 179.50 2cqb h GLU 55 N 1.76 0.85 0.00 0.44 4.57 -1.88 -3.45 114.58 116.88 2cqb h GLU 55 Ca -0.48 -0.21 -0.48 0.00 -1.18 0.00 0.00 59.36 57.01 2cqb h GLU 55 Cb 1.19 -0.11 -0.09 0.00 -0.16 0.00 0.00 28.75 29.58 2cqb h GLU 55 CO 0.67 0.81 -0.36 1.28 -1.18 0.00 0.00 179.01 180.23 2cqb n LEU 56 N -4.24 0.00 -0.14 1.64 4.77 -1.26 -5.09 117.00 112.68 2cqb n LEU 56 Ca 0.03 -2.40 -0.29 0.00 -0.03 0.00 0.00 56.01 53.32 2cqb n LEU 56 Cb 0.27 0.39 -0.10 0.00 -2.33 0.00 0.00 43.42 41.65 2cqb n LEU 56 CO 0.41 -0.35 -1.37 0.00 -1.33 0.00 0.00 177.39 174.75 2cqb n ALA 57 N -1.72 1.16 -0.12 -1.18 0.00 -1.26 -4.14 120.51 113.25 2cqb n ALA 57 Ca -0.15 -1.05 -0.06 0.00 0.00 0.00 0.00 53.44 52.17 2cqb n ALA 57 Cb 0.48 0.07 -0.00 0.00 0.00 0.00 0.00 19.45 20.00 2cqb n ALA 57 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 2cqb h GLU 58 N -0.99 -0.19 -0.54 0.00 4.11 -1.99 -0.80 114.58 114.17 2cqb h GLU 58 Ca -0.68 0.01 0.09 0.00 0.07 0.00 0.00 59.36 58.86 2cqb h GLU 58 Cb 1.59 0.04 -0.08 0.00 0.50 0.00 0.00 28.75 30.81 2cqb h GLU 58 CO -0.41 -0.13 0.11 0.38 0.07 0.00 0.00 179.01 179.03 2cqb h ASP 59 N -0.20 0.00 -0.28 3.06 2.03 -1.87 -2.09 116.42 117.07 2cqb h ASP 59 Ca 0.19 0.10 0.07 0.00 -0.73 0.00 0.00 57.03 56.65 2cqb h ASP 59 Cb 0.50 0.13 -0.08 0.00 -0.83 0.00 0.00 39.33 39.06 2cqb h ASP 59 CO -0.53 0.02 -0.27 0.00 -1.03 0.00 0.00 179.24 177.44 2cqb h ALA 60 N 1.42 -0.14 -0.80 4.15 0.00 -1.32 -0.28 119.26 122.29 2cqb h ALA 60 Ca 0.27 0.08 0.10 0.00 0.00 0.00 0.00 54.91 55.37 2cqb h ALA 60 Cb 0.38 0.56 -0.08 0.00 0.00 0.00 0.00 17.79 18.66 2cqb h ALA 60 CO -0.35 -0.68 0.44 0.00 0.00 0.00 0.00 179.25 178.65 2cqb h ALA 61 N 0.79 1.14 -0.46 0.00 0.00 -0.80 -0.55 119.26 119.38 2cqb h ALA 61 Ca 0.15 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 2cqb h ALA 61 Cb 0.49 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 2cqb h ALA 61 CO -0.43 0.03 0.15 0.00 0.00 0.00 0.00 179.25 179.00 2cqb h ALA 62 N 1.47 1.40 -0.46 0.00 0.00 -0.61 -2.31 119.26 118.74 2cqb h ALA 62 Ca 0.40 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 55.11 2cqb h ALA 62 Cb 0.41 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 2cqb h ALA 62 CO -0.27 0.44 0.09 0.00 0.00 0.00 0.00 179.25 179.52 2cqb h ALA 63 N 1.51 0.61 0.44 0.00 0.00 0.50 -3.02 119.26 119.30 2cqb h ALA 63 Ca 0.16 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 2cqb h ALA 63 Cb 0.19 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2cqb h ALA 63 CO -0.01 0.32 -0.21 0.82 0.00 0.00 0.00 179.25 180.16 2cqb h ILE 64 N 0.62 0.56 0.00 0.00 2.04 -1.07 0.78 117.51 120.44 2cqb h ILE 64 Ca 0.14 -0.20 0.00 0.00 1.00 0.00 0.00 64.86 65.80 2cqb h ILE 64 Cb 0.35 0.65 0.00 0.00 -0.74 0.00 0.00 36.82 37.09 2cqb h ILE 64 CO 0.01 0.04 0.52 -0.78 0.00 0.00 0.00 178.15 177.93 2cqb h ASP 65 N -0.71 0.00 0.00 1.72 3.58 -1.43 -0.21 116.42 119.36 2cqb h ASP 65 Ca -0.06 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.39 2cqb h ASP 65 Cb 0.52 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.57 2cqb h ASP 65 CO 0.10 0.00 0.00 0.59 -2.88 0.00 0.00 179.24 177.05 2cqb n ASN 66 N -2.78 0.00 -0.27 2.28 3.02 -0.84 -4.64 115.26 112.04 2cqb n ASN 66 Ca -0.01 0.00 0.23 0.00 -0.03 0.00 0.00 54.58 54.76 2cqb n ASN 66 Cb 0.55 -0.20 0.42 0.00 -0.61 0.00 0.00 39.78 39.95 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 -1.95 -0.05 -1.33 3.52 2.81 0.27 -4.43 117.12 115.96 2cqb n MET 67 Ca 0.00 1.15 -0.58 0.00 -1.81 0.00 0.00 57.70 56.46 2cqb n MET 67 Cb 0.00 -2.00 -0.10 0.00 -0.71 0.00 0.00 33.22 30.40 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 -4.92 0.85 -3.06 7.83 5.15 -0.10 0.19 115.26 121.20 2cqb n ASN 68 Ca 0.28 0.80 -0.20 0.00 -0.60 0.00 0.00 54.58 54.86 2cqb n ASN 68 Cb 0.95 -0.83 0.06 0.00 -0.53 0.00 0.00 39.78 39.43 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 5.82 -6.49 -2.16 1.20 1.02 -0.49 -4.92 120.64 114.61 2cqb n GLU 69 Ca 0.43 0.71 -0.28 0.00 -0.02 0.00 0.00 57.16 58.01 2cqb n GLU 69 Cb -0.04 -5.37 0.16 0.00 -0.02 0.00 0.00 31.44 26.17 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 -3.21 3.47 -0.23 1.62 1.04 0.50 -4.79 113.70 112.09 2cqb s SER 70 Ca 0.47 0.01 -0.02 0.00 0.48 0.00 0.00 55.95 56.89 2cqb s SER 70 Cb -0.21 -0.14 0.01 0.00 0.10 0.00 0.00 66.02 65.78 2cqb s SER 70 CO 0.58 -2.48 -0.06 -0.70 0.98 0.00 0.00 173.24 171.56 2cqb s GLU 71 N -5.65 3.09 -0.01 4.02 2.12 -1.26 -2.37 118.70 118.64 2cqb s GLU 71 Ca 0.72 -0.81 0.02 0.00 0.36 0.00 0.00 54.97 55.26 2cqb s GLU 71 Cb -0.04 -2.96 -0.00 0.00 0.26 0.00 0.00 34.13 31.39 2cqb s GLU 71 CO 0.50 -0.30 -0.05 -1.17 -0.54 0.00 0.00 175.26 173.70 2cqb s LEU 72 N 1.39 1.92 -0.77 2.70 2.96 0.40 -4.81 118.68 122.49 2cqb s LEU 72 Ca 0.03 -0.10 -0.03 0.00 -0.22 0.00 0.00 54.13 53.81 2cqb s LEU 72 Cb -0.15 -0.30 0.03 0.00 0.50 0.00 0.00 46.19 46.27 2cqb s LEU 72 CO -0.05 0.05 0.14 0.49 -1.32 0.00 0.00 176.35 175.66 2cqb n PHE 73 N 3.07 -1.69 -2.71 5.38 3.01 -1.26 0.66 117.46 123.92 2cqb n PHE 73 Ca -0.14 0.14 -0.10 0.00 1.01 0.00 0.00 57.45 58.36 2cqb n PHE 73 Cb 0.57 -2.10 0.02 0.00 -0.01 0.00 0.00 39.48 37.96 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 -0.78 0.22 3.48 1.37 0.00 -1.26 -5.03 105.19 103.19 2cqb n GLY 74 Ca -0.05 -0.36 -0.10 0.00 0.00 0.00 0.00 46.02 45.51 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 -5.20 1.49 -0.21 1.61 1.70 0.21 -5.15 118.95 113.39 2cqb s ARG 75 Ca 0.17 -1.39 -0.07 0.00 -0.47 0.00 0.00 55.73 53.97 2cqb s ARG 75 Cb -0.07 0.42 -0.03 0.00 -0.57 0.00 0.00 34.95 34.69 2cqb s ARG 75 CO 0.21 -0.59 0.06 0.99 -1.08 0.00 0.00 175.30 174.89 2cqb s THR 76 N -3.98 4.49 0.08 4.99 2.01 -1.26 -0.45 115.64 121.52 2cqb s THR 76 Ca 0.27 -0.13 0.08 0.00 0.31 0.00 0.00 61.69 62.22 2cqb s THR 76 Cb 0.01 -3.06 -0.04 0.00 0.01 0.00 0.00 72.50 69.43 2cqb s THR 76 CO 0.11 0.40 -0.17 0.27 -0.69 0.00 0.00 174.62 174.53 2cqb s ILE 77 N 0.96 2.85 -0.02 1.82 -4.36 -1.00 -4.76 121.20 116.69 2cqb s ILE 77 Ca 0.04 -1.32 -0.02 0.00 -0.26 0.00 0.00 60.65 59.09 2cqb s ILE 77 Cb -0.14 -2.26 -0.04 0.00 1.25 0.00 0.00 42.46 41.28 2cqb s ILE 77 CO 0.03 0.23 0.11 -0.13 0.24 0.00 0.00 174.94 175.41 2cqb s ARG 78 N -1.78 3.19 -0.02 0.37 0.52 -0.20 -1.39 118.95 119.64 2cqb s ARG 78 Ca 0.16 -0.40 0.02 0.00 -0.52 0.00 0.00 55.73 54.99 2cqb s ARG 78 Cb -0.11 -2.95 0.01 0.00 0.52 0.00 0.00 34.95 32.42 2cqb s ARG 78 CO 0.08 0.67 -0.05 0.08 0.02 0.00 0.00 175.30 176.10 2cqb s VAL 79 N -1.19 0.49 0.12 3.52 1.01 -1.26 -0.81 120.40 122.28 2cqb s VAL 79 Ca 0.22 -0.20 -0.25 0.00 0.00 0.00 0.00 61.98 61.76 2cqb s VAL 79 Cb -0.12 -0.46 0.07 0.00 0.00 0.00 0.00 36.38 35.87 2cqb s VAL 79 CO 0.13 0.17 0.80 0.21 0.00 0.00 0.00 175.10 176.41 2cqb s ASN 80 N 0.28 -0.36 0.32 3.32 3.04 -0.81 -4.60 114.94 116.13 2cqb s ASN 80 Ca -0.03 -0.18 -0.29 0.00 0.04 0.00 0.00 52.86 52.40 2cqb s ASN 80 Cb -0.07 0.52 -0.12 0.00 -1.54 0.00 0.00 41.25 40.03 2cqb s ASN 80 CO -0.00 -0.89 1.38 0.18 -3.04 0.00 0.00 177.10 174.74 2cqb n LEU 81 N -0.37 3.78 -4.69 3.21 4.77 -1.26 0.08 117.00 122.53 2cqb n LEU 81 Ca -0.10 1.19 -0.44 0.00 -0.03 0.00 0.00 56.01 56.63 2cqb n LEU 81 Cb 0.62 -1.51 -0.03 0.00 -2.33 0.00 0.00 43.42 40.17 2cqb n LEU 81 CO 0.12 -0.29 1.18 0.00 -1.33 0.00 0.00 177.39 177.07 2cqb n ALA 82 N 0.87 1.69 -1.78 -1.18 0.00 -0.82 -4.66 120.51 114.63 2cqb n ALA 82 Ca 0.06 0.42 -0.36 0.00 0.00 0.00 0.00 53.44 53.55 2cqb n ALA 82 Cb 0.36 -2.37 -0.02 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 0.38 3.88 -0.55 0.00 -2.85 -1.26 -4.94 119.74 114.40 2cqb s LYS 83 Ca 0.73 1.64 -0.27 0.00 -1.00 0.00 0.00 55.97 57.07 2cqb s LYS 83 Cb -0.62 -2.40 -0.02 0.00 -2.06 0.00 0.00 37.83 32.73 2cqb s LYS 83 CO 0.42 -0.42 1.82 -1.25 0.10 0.00 0.00 175.35 176.02 2cqb s PRO 84 N -2.71 2.82 0.43 1.78 0.04 -1.26 -4.98 135.00 131.12 2cqb s PRO 84 Ca 0.62 0.78 -0.16 0.00 0.04 0.00 0.00 61.00 62.28 2cqb s PRO 84 Cb -0.25 -4.33 -0.09 0.00 0.04 0.00 0.00 34.50 29.87 2cqb s PRO 84 CO 0.31 -2.49 0.88 1.41 0.04 0.00 0.00 177.00 177.15 2cqb s MET 85 N 6.64 4.01 -0.01 4.56 1.75 -1.26 -5.08 119.30 129.91 2cqb s MET 85 Ca 0.69 0.85 0.04 0.00 -1.25 0.00 0.00 55.69 56.02 2cqb s MET 85 Cb -0.14 -2.26 -0.01 0.00 2.84 0.00 0.00 34.83 35.26 2cqb s MET 85 CO 0.24 -0.07 -0.12 0.50 -0.65 0.00 0.00 175.02 174.92 2cqb s ARG 86 N -3.55 0.93 -0.20 4.11 3.52 -1.26 -5.12 118.95 117.37 2cqb s ARG 86 Ca 0.57 -0.42 -0.01 0.00 -0.13 0.00 0.00 55.73 55.74 2cqb s ARG 86 Cb -0.10 -0.90 0.06 0.00 -1.56 0.00 0.00 34.95 32.45 2cqb s ARG 86 CO 0.23 0.25 -0.02 0.96 -0.81 0.00 0.00 175.30 175.91 2cqb s ILE 87 N -0.29 1.02 0.00 4.11 -4.36 -1.26 -4.82 121.20 115.59 2cqb s ILE 87 Ca 0.04 -0.82 0.00 0.00 -0.26 0.00 0.00 60.65 59.62 2cqb s ILE 87 Cb -0.05 -1.37 0.00 0.00 1.25 0.00 0.00 42.46 42.30 2cqb s ILE 87 CO -0.00 -0.10 0.00 1.17 0.24 0.00 0.00 174.94 176.25 2cqb n LYS 88 N 4.87 -2.63 -2.42 0.37 3.00 -1.26 -4.73 118.16 115.36 2cqb n LYS 88 Ca -0.11 0.00 -0.38 0.00 -0.00 0.00 0.00 58.31 57.82 2cqb n LYS 88 Cb 0.46 -3.80 -0.02 0.00 0.00 0.00 0.00 35.03 31.67 2cqb n LYS 88 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 2cqb s GLU 89 N -4.15 3.48 0.18 1.64 -6.30 -1.26 -4.88 118.70 107.41 2cqb s GLU 89 Ca 0.00 -1.58 0.03 0.00 -2.50 0.00 0.00 54.97 50.92 2cqb s GLU 89 Cb 0.00 -5.42 -0.01 0.00 0.00 0.00 0.00 34.13 28.70 2cqb s GLU 89 CO 0.00 -2.74 0.10 0.43 0.02 0.00 0.00 175.26 173.07 2cqb n SER 90 N 10.26 0.44 -4.32 -1.70 7.64 -1.26 -5.11 113.62 119.57 2cqb n SER 90 Ca 0.45 -2.04 -0.46 0.00 1.01 0.00 0.00 58.87 57.84 2cqb n SER 90 Cb 0.47 0.63 -0.05 0.00 -1.01 0.00 0.00 64.21 64.24 2cqb n SER 90 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2cqb s GLY 91 N -2.15 2.09 0.04 0.23 0.00 -1.26 -4.93 107.32 101.34 2cqb s GLY 91 Ca 0.14 -2.50 -0.20 0.00 0.00 0.00 0.00 44.72 42.16 2cqb s GLY 91 CO 0.10 1.19 1.35 -0.56 0.00 0.00 0.00 173.10 175.17 2cqb h PRO 92 N 8.87 0.37 -1.50 2.90 0.13 -1.99 -3.45 132.00 137.34 2cqb h PRO 92 Ca -0.30 -0.20 0.11 0.00 -0.87 0.00 0.00 66.00 64.74 2cqb h PRO 92 Cb 1.10 0.01 -0.21 0.00 0.13 0.00 0.00 31.00 32.03 2cqb h PRO 92 CO 1.02 0.75 -0.08 0.45 -0.23 0.00 0.00 178.00 179.92 2cqb s SER 93 N -6.15 -1.05 -0.23 1.44 0.15 -1.26 -5.15 113.70 101.45 2cqb s SER 93 Ca -0.14 1.20 -0.08 0.00 0.70 0.00 0.00 55.95 57.64 2cqb s SER 93 Cb 0.05 2.10 -0.04 0.00 -1.71 0.00 0.00 66.02 66.43 2cqb s SER 93 CO 0.76 -0.20 0.08 -0.55 1.20 0.00 0.00 173.24 174.52 2cqb s SER 94 N 2.81 5.39 0.00 5.45 0.15 -1.26 -5.28 113.70 120.95 2cqb s SER 94 Ca 0.01 -0.09 0.00 0.00 0.70 0.00 0.00 55.95 56.57 2cqb s SER 94 Cb -0.11 -1.95 0.00 0.00 -1.71 0.00 0.00 66.02 62.24 2cqb s SER 94 CO -0.19 0.04 0.00 0.61 1.20 0.00 0.00 173.24 174.90