#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2zqb s LEU 4 N 0.00 3.17 0.43 -4.62 1.43 -1.26 -5.00 118.68 112.82 2zqb s LEU 4 Ca 0.00 2.03 -0.25 0.00 -1.03 0.00 0.00 54.13 54.87 2zqb s LEU 4 Cb 0.00 -4.55 -0.08 0.00 0.03 0.00 0.00 46.19 41.59 2zqb s LEU 4 CO 0.00 -2.11 1.32 -0.54 0.23 0.00 0.00 176.35 175.26 2zqb s LYS 5 N -4.43 3.83 -0.39 1.70 1.02 -1.26 -4.63 119.74 115.59 2zqb s LYS 5 Ca 0.66 2.19 -0.21 0.00 0.02 0.00 0.00 55.97 58.63 2zqb s LYS 5 Cb -0.21 -2.68 0.01 0.00 -0.52 0.00 0.00 37.83 34.44 2zqb s LYS 5 CO 0.50 -0.61 0.65 -1.17 -0.92 0.00 0.00 175.35 173.79 2zqb s LEU 6 N -2.61 4.34 -0.03 3.17 2.96 -1.26 -0.71 118.68 124.54 2zqb s LEU 6 Ca 0.59 -0.04 0.07 0.00 -0.22 0.00 0.00 54.13 54.53 2zqb s LEU 6 Cb -0.39 -2.78 -0.01 0.00 0.50 0.00 0.00 46.19 43.51 2zqb s LEU 6 CO 0.49 -0.68 -0.24 -0.63 -1.32 0.00 0.00 176.35 173.98 2zqb s ILE 7 N 2.79 1.89 -0.24 6.68 1.01 -0.65 -4.45 121.20 128.24 2zqb s ILE 7 Ca 0.24 -1.01 -0.07 0.00 0.00 0.00 0.00 60.65 59.82 2zqb s ILE 7 Cb -0.14 -1.58 -0.03 0.00 0.01 0.00 0.00 42.46 40.72 2zqb s ILE 7 CO 0.17 0.53 0.06 -1.00 0.00 0.00 0.00 174.94 174.70 2zqb s HIS 8 N -0.39 3.10 -0.18 3.97 3.76 -0.49 -1.65 115.29 123.40 2zqb s HIS 8 Ca 0.04 -0.37 -0.03 0.00 -0.15 0.00 0.00 55.06 54.55 2zqb s HIS 8 Cb -0.11 -2.20 -0.02 0.00 1.11 0.00 0.00 32.58 31.37 2zqb s HIS 8 CO 0.01 -0.29 -0.06 0.42 -0.85 0.00 0.00 174.74 173.97 2zqb s ILE 9 N 1.40 3.49 -0.10 0.60 1.01 -0.23 -0.80 121.20 126.57 2zqb s ILE 9 Ca 0.05 -0.48 -0.00 0.00 0.00 0.00 0.00 60.65 60.22 2zqb s ILE 9 Cb -0.15 -2.55 -0.03 0.00 0.01 0.00 0.00 42.46 39.75 2zqb s ILE 9 CO 0.03 0.46 -0.07 -0.36 0.00 0.00 0.00 174.94 175.00 2zqb s PHE 10 N 0.89 2.93 0.01 3.97 0.08 -0.13 -0.26 117.98 125.47 2zqb s PHE 10 Ca -0.01 -0.18 0.03 0.00 0.12 0.00 0.00 56.93 56.89 2zqb s PHE 10 Cb -0.15 -1.80 -0.01 0.00 -0.57 0.00 0.00 43.02 40.50 2zqb s PHE 10 CO 0.01 0.14 -0.10 0.95 -0.10 0.00 0.00 175.22 176.12 2zqb s THR 11 N -0.30 0.77 -0.02 0.64 -4.23 -0.34 -2.22 115.64 109.93 2zqb s THR 11 Ca 0.04 -0.59 -0.06 0.00 -1.18 0.00 0.00 61.69 59.90 2zqb s THR 11 Cb -0.13 -0.68 0.01 0.00 1.34 0.00 0.00 72.50 73.04 2zqb s THR 11 CO 0.02 0.09 0.13 -0.62 -0.54 0.00 0.00 174.62 173.70 2zqb s ASP 12 N -0.56 -0.04 0.19 3.99 2.15 0.23 -4.30 116.67 118.32 2zqb s ASP 12 Ca 0.02 0.00 0.08 0.00 0.43 0.00 0.00 52.55 53.08 2zqb s ASP 12 Cb -0.05 0.24 -0.04 0.00 -0.30 0.00 0.00 42.92 42.76 2zqb s ASP 12 CO 0.00 -0.21 -0.16 -0.83 -0.17 0.00 0.00 175.17 173.80 2zqb s GLY 13 N -0.70 1.40 -0.24 2.66 0.00 -1.26 -0.68 107.32 108.51 2zqb s GLY 13 Ca -0.08 -1.59 -0.13 0.00 0.00 0.00 0.00 44.72 42.92 2zqb s GLY 13 CO 0.01 -1.67 0.59 -0.45 0.00 0.00 0.00 173.10 171.58 2zqb s SER 14 N -3.06 -0.79 -0.35 1.64 0.15 -0.24 -4.76 113.70 106.30 2zqb s SER 14 Ca 0.20 1.29 0.03 0.00 0.70 0.00 0.00 55.95 58.16 2zqb s SER 14 Cb -0.03 1.19 0.19 0.00 -1.71 0.00 0.00 66.02 65.66 2zqb s SER 14 CO 0.07 -0.22 0.73 0.00 1.20 0.00 0.00 173.24 175.01 2zqb s LEU 16 N 2.31 4.71 0.00 0.00 0.05 -1.26 -4.34 118.68 120.15 2zqb s LEU 16 Ca 0.15 -1.80 0.00 0.00 0.05 0.00 0.00 54.13 52.53 2zqb s LEU 16 Cb -0.05 -1.75 0.00 0.00 -2.05 0.00 0.00 46.19 42.34 2zqb s LEU 16 CO -0.16 -0.42 0.00 0.61 -0.55 0.00 0.00 176.35 175.83 2zqb n GLY 17 N 4.54 -0.38 2.80 -3.48 0.00 -1.26 -5.04 105.19 102.37 2zqb n GLY 17 Ca -0.05 -0.74 -0.04 0.00 0.00 0.00 0.00 46.02 45.19 2zqb n GLY 17 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2zqb s ASN 18 N 0.00 -1.33 0.67 1.61 3.04 -1.26 -2.48 114.94 115.18 2zqb s ASN 18 Ca 0.00 -1.67 -0.12 0.00 0.04 0.00 0.00 52.86 51.11 2zqb s ASN 18 Cb 0.00 1.81 -0.00 0.00 -1.54 0.00 0.00 41.25 41.52 2zqb s ASN 18 CO 0.00 -0.07 1.06 -2.16 -3.04 0.00 0.00 177.10 172.89 2zqb s PRO 19 N 0.96 3.04 0.00 0.43 0.04 -1.26 -4.93 135.00 133.27 2zqb s PRO 19 Ca 0.28 1.01 0.00 0.00 0.04 0.00 0.00 61.00 62.33 2zqb s PRO 19 Cb -0.00 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.53 2zqb s PRO 19 CO -0.06 -1.02 0.00 0.41 0.04 0.00 0.00 177.00 176.37 2zqb n GLY 20 N -1.76 -1.25 3.77 0.56 0.00 -0.93 -4.94 105.19 100.64 2zqb n GLY 20 Ca 0.08 -1.04 -0.38 0.00 0.00 0.00 0.00 46.02 44.69 2zqb n GLY 20 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2zqb s PRO 21 N -1.17 4.17 0.15 1.61 0.04 -1.08 -0.45 135.00 138.28 2zqb s PRO 21 Ca 0.00 1.66 -0.04 0.00 0.04 0.00 0.00 61.00 62.67 2zqb s PRO 21 Cb 0.00 -2.66 0.01 0.00 0.04 0.00 0.00 34.50 31.89 2zqb s PRO 21 CO 0.00 -0.17 0.26 0.41 0.04 0.00 0.00 177.00 177.54 2zqb n GLY 22 N 0.55 2.11 2.30 0.56 0.00 -0.48 -4.55 105.19 105.69 2zqb n GLY 22 Ca 0.04 -1.28 -0.03 0.00 0.00 0.00 0.00 46.02 44.75 2zqb n GLY 22 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2zqb n GLY 23 N -0.22 1.08 3.17 -0.02 0.00 -0.09 -0.03 105.19 109.07 2zqb n GLY 23 Ca -0.02 -1.10 -0.13 0.00 0.00 0.00 0.00 46.02 44.78 2zqb n GLY 23 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2zqb s TYR 24 N -4.15 0.98 0.02 1.61 1.13 -0.59 -1.07 117.35 115.28 2zqb s TYR 24 Ca 0.12 -0.75 0.00 0.00 -1.41 0.00 0.00 57.07 55.03 2zqb s TYR 24 Cb -0.02 -0.54 -0.02 0.00 -1.10 0.00 0.00 41.96 40.27 2zqb s TYR 24 CO 0.05 -0.06 -0.03 0.20 -2.51 0.00 0.00 175.55 173.20 2zqb s GLY 25 N -2.67 0.26 -0.09 5.49 0.00 0.15 -2.47 107.32 108.00 2zqb s GLY 25 Ca 0.08 -0.60 -0.05 0.00 0.00 0.00 0.00 44.72 44.14 2zqb s GLY 25 CO -0.02 -0.67 0.21 -0.42 0.00 0.00 0.00 173.10 172.20 2zqb s ILE 26 N -1.45 -0.03 -0.10 0.90 1.01 -0.98 -0.60 121.20 119.95 2zqb s ILE 26 Ca -0.15 0.11 0.04 0.00 0.00 0.00 0.00 60.65 60.64 2zqb s ILE 26 Cb -0.10 -0.32 0.00 0.00 0.01 0.00 0.00 42.46 42.05 2zqb s ILE 26 CO -0.01 0.05 -0.22 -0.69 0.00 0.00 0.00 174.94 174.07 2zqb s VAL 27 N 0.90 1.93 -0.11 2.92 1.01 -0.94 -2.26 120.40 123.86 2zqb s VAL 27 Ca -0.07 -0.94 0.03 0.00 0.00 0.00 0.00 61.98 61.01 2zqb s VAL 27 Cb -0.08 -1.68 0.00 0.00 0.00 0.00 0.00 36.38 34.63 2zqb s VAL 27 CO -0.05 0.53 -0.22 -0.04 0.00 0.00 0.00 175.10 175.32 2zqb s MET 28 N 0.42 2.89 -0.13 2.72 -1.94 -0.32 -0.95 119.30 121.99 2zqb s MET 28 Ca -0.17 -0.82 -0.00 0.00 -1.71 0.00 0.00 55.69 52.98 2zqb s MET 28 Cb -0.17 -2.25 -0.02 0.00 2.01 0.00 0.00 34.83 34.40 2zqb s MET 28 CO 0.07 0.10 -0.12 0.15 -0.01 0.00 0.00 175.02 175.22 2zqb s LYS 29 N 0.53 3.40 -0.05 2.03 1.02 0.02 -1.39 119.74 125.31 2zqb s LYS 29 Ca -0.15 -0.67 -0.01 0.00 0.02 0.00 0.00 55.97 55.17 2zqb s LYS 29 Cb -0.17 -2.66 0.03 0.00 -0.52 0.00 0.00 37.83 34.51 2zqb s LYS 29 CO 0.05 0.23 0.00 -0.47 -0.92 0.00 0.00 175.35 174.24 2zqb s TYR 30 N 0.33 0.50 0.00 3.18 5.04 0.81 -1.40 117.35 125.81 2zqb s TYR 30 Ca -0.10 -0.07 0.00 0.00 -2.44 0.00 0.00 57.07 54.46 2zqb s TYR 30 Cb -0.16 -0.63 0.00 0.00 0.35 0.00 0.00 41.96 41.52 2zqb s TYR 30 CO 0.05 -0.23 0.00 0.36 -1.34 0.00 0.00 175.55 174.39 2zqb n LYS 31 N 4.72 0.00 0.08 4.97 2.85 -1.26 0.11 118.16 129.63 2zqb n LYS 31 Ca -0.15 0.00 0.13 0.00 -1.05 0.00 0.00 58.31 57.24 2zqb n LYS 31 Cb 0.50 0.00 0.46 0.00 -0.65 0.00 0.00 35.03 35.34 2zqb n LYS 31 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2zqb n GLY 32 N 0.00 -1.54 3.80 2.58 0.00 -1.26 -4.93 105.19 103.84 2zqb n GLY 32 Ca 0.00 -0.02 -0.39 0.00 0.00 0.00 0.00 46.02 45.61 2zqb n GLY 32 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2zqb s HIS 33 N -3.11 3.78 -0.01 1.61 3.76 0.31 -5.07 115.29 116.55 2zqb s HIS 33 Ca 0.10 1.23 0.02 0.00 -0.15 0.00 0.00 55.06 56.26 2zqb s HIS 33 Cb 0.13 -2.49 0.00 0.00 1.11 0.00 0.00 32.58 31.33 2zqb s HIS 33 CO 0.52 0.55 -0.07 0.99 -0.85 0.00 0.00 174.74 175.88 2zqb s THR 34 N -0.93 0.62 0.23 1.30 2.01 -1.26 -0.13 115.64 117.47 2zqb s THR 34 Ca 0.29 -0.30 0.02 0.00 0.31 0.00 0.00 61.69 62.00 2zqb s THR 34 Cb -0.19 -0.54 -0.05 0.00 0.01 0.00 0.00 72.50 71.73 2zqb s THR 34 CO 0.18 0.19 0.06 -1.59 -0.69 0.00 0.00 174.62 172.77 2zqb s LYS 35 N 0.05 1.31 -0.01 4.92 -2.85 -0.49 -4.98 119.74 117.69 2zqb s LYS 35 Ca -0.00 -1.68 0.03 0.00 -1.00 0.00 0.00 55.97 53.31 2zqb s LYS 35 Cb -0.06 -0.29 -0.01 0.00 -2.06 0.00 0.00 37.83 35.42 2zqb s LYS 35 CO -0.00 -0.23 -0.10 -1.21 0.10 0.00 0.00 175.35 173.92 2zqb s GLU 36 N -3.98 0.80 0.34 1.78 2.02 -1.26 -1.18 118.70 117.22 2zqb s GLU 36 Ca 0.33 -0.34 0.09 0.00 0.02 0.00 0.00 54.97 55.06 2zqb s GLU 36 Cb 0.07 -0.77 -0.07 0.00 0.10 0.00 0.00 34.13 33.47 2zqb s GLU 36 CO 0.10 0.20 -0.07 -1.64 0.02 0.00 0.00 175.26 173.87 2zqb s MET 37 N -0.20 1.78 0.36 1.61 -1.94 -0.96 -5.02 119.30 114.94 2zqb s MET 37 Ca 0.03 -1.93 -0.16 0.00 -1.71 0.00 0.00 55.69 51.93 2zqb s MET 37 Cb -0.04 -1.57 0.05 0.00 2.01 0.00 0.00 34.83 35.28 2zqb s MET 37 CO -0.00 0.09 0.75 -1.54 -0.01 0.00 0.00 175.02 174.31 2zqb s SER 38 N -3.59 0.02 -0.19 3.03 1.04 -1.26 -2.31 113.70 110.44 2zqb s SER 38 Ca 0.32 -1.08 -0.30 0.00 0.48 0.00 0.00 55.95 55.37 2zqb s SER 38 Cb 0.04 0.82 0.15 0.00 0.10 0.00 0.00 66.02 67.12 2zqb s SER 38 CO 0.16 -1.60 1.10 -0.83 0.98 0.00 0.00 173.24 173.04 2zqb s GLY 39 N -3.06 -0.17 0.02 7.32 0.00 -1.03 -4.96 107.32 105.45 2zqb s GLY 39 Ca 0.16 2.24 0.04 0.00 0.00 0.00 0.00 44.72 47.16 2zqb s GLY 39 CO 0.11 1.04 -0.12 -0.32 0.00 0.00 0.00 173.10 173.81 2zqb s GLY 40 N -1.11 0.66 0.03 0.20 0.00 -1.26 -1.54 107.32 104.30 2zqb s GLY 40 Ca 0.01 -0.68 0.05 0.00 0.00 0.00 0.00 44.72 44.11 2zqb s GLY 40 CO -0.01 -0.64 -0.15 -1.36 0.00 0.00 0.00 173.10 170.94 2zqb s PHE 41 N -0.67 1.33 0.41 1.90 0.08 0.96 -4.50 117.98 117.49 2zqb s PHE 41 Ca 0.01 -0.33 0.15 0.00 0.12 0.00 0.00 56.93 56.89 2zqb s PHE 41 Cb -0.07 -0.80 0.95 0.00 -0.57 0.00 0.00 43.02 42.53 2zqb s PHE 41 CO 0.01 0.03 1.94 0.66 -0.10 0.00 0.00 175.22 177.75 2zqb h SER 42 N 5.14 0.00 -2.56 1.36 4.64 -1.32 -1.26 113.55 119.55 2zqb h SER 42 Ca -0.38 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 60.80 2zqb h SER 42 Cb 1.17 0.00 -0.29 0.00 -0.31 0.00 0.00 62.40 62.97 2zqb h SER 42 CO 0.45 0.24 -0.44 -0.22 -0.87 0.00 0.00 176.83 176.00 2zqb s LEU 43 N -8.33 -0.52 0.00 5.97 0.20 -1.26 -2.63 118.68 112.12 2zqb s LEU 43 Ca -0.03 0.75 -0.11 0.00 0.69 0.00 0.00 54.13 55.43 2zqb s LEU 43 Cb 0.15 1.10 0.04 0.00 -0.43 0.00 0.00 46.19 47.05 2zqb s LEU 43 CO 0.70 -0.24 0.57 1.07 -0.29 0.00 0.00 176.35 178.15 2zqb n THR 44 N 5.37 0.00 -4.11 3.68 5.66 0.41 -4.29 114.28 121.00 2zqb n THR 44 Ca -0.07 -0.67 -0.24 0.00 -3.05 0.00 0.00 64.05 60.03 2zqb n THR 44 Cb 0.50 0.68 -0.07 0.00 -1.55 0.00 0.00 70.33 69.89 2zqb n THR 44 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 2zqb s THR 45 N -2.35 2.77 0.28 1.09 -4.23 -1.26 -2.19 115.64 109.74 2zqb s THR 45 Ca 0.12 -1.72 0.05 0.00 -1.18 0.00 0.00 61.69 58.96 2zqb s THR 45 Cb -0.03 -2.96 0.03 0.00 1.34 0.00 0.00 72.50 70.88 2zqb s THR 45 CO 0.08 -0.13 1.68 -1.13 -0.54 0.00 0.00 174.62 174.57 2zqb h ASN 46 N 1.53 0.31 -0.39 3.99 -1.24 -1.92 -2.37 115.58 115.49 2zqb h ASN 46 Ca -0.43 -0.13 -0.11 0.00 0.71 0.00 0.00 56.30 56.34 2zqb h ASN 46 Cb 1.25 -0.09 -0.02 0.00 0.73 0.00 0.00 38.32 40.20 2zqb h ASN 46 CO 0.65 0.70 -0.14 0.78 -1.29 0.00 0.00 177.43 178.13 2zqb h ASN 47 N 0.25 0.86 -0.33 1.15 -0.26 -1.96 -2.40 115.58 112.90 2zqb h ASN 47 Ca 0.02 -0.28 -0.17 0.00 -0.56 0.00 0.00 56.30 55.31 2zqb h ASN 47 Cb 0.84 -0.23 -0.00 0.00 -1.06 0.00 0.00 38.32 37.87 2zqb h ASN 47 CO 0.07 1.01 -0.46 0.03 -1.06 0.00 0.00 177.43 177.02 2zqb h ARG 48 N 0.76 0.89 -0.40 0.81 3.08 -1.94 -2.34 114.38 115.24 2zqb h ARG 48 Ca 0.12 -0.52 -0.06 0.00 0.07 0.00 0.00 59.98 59.60 2zqb h ARG 48 Cb 0.66 0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.74 2zqb h ARG 48 CO 0.05 1.16 0.02 0.52 -1.07 0.00 0.00 179.97 180.64 2zqb h MET 49 N 0.68 0.64 -0.16 0.04 2.86 -1.41 0.43 114.93 118.02 2zqb h MET 49 Ca 0.04 -0.14 -0.17 0.00 -2.06 0.00 0.00 59.70 57.36 2zqb h MET 49 Cb 1.06 -0.09 -0.00 0.00 0.06 0.00 0.00 31.60 32.63 2zqb h MET 49 CO 0.11 0.65 -0.62 0.93 1.06 0.00 0.00 176.91 179.03 2zqb h GLU 50 N 0.61 0.55 0.04 1.72 5.08 -1.35 -2.36 114.58 118.88 2zqb h GLU 50 Ca 0.13 -0.39 -0.19 0.00 -1.00 0.00 0.00 59.36 57.91 2zqb h GLU 50 Cb 0.36 0.06 0.02 0.00 0.50 0.00 0.00 28.75 29.69 2zqb h GLU 50 CO 0.01 1.00 -0.76 1.25 -1.00 0.00 0.00 179.01 179.51 2zqb h LEU 51 N 0.41 0.59 -1.35 1.33 6.46 -1.19 -3.32 115.31 118.24 2zqb h LEU 51 Ca -0.01 -0.81 -0.03 0.00 -0.12 0.00 0.00 57.88 56.91 2zqb h LEU 51 Cb 1.19 -0.18 -0.02 0.00 -0.73 0.00 0.00 40.66 40.92 2zqb h LEU 51 CO 0.12 1.33 0.07 0.25 -0.62 0.00 0.00 178.44 179.58 2zqb h LEU 52 N -0.07 0.46 0.20 2.25 5.85 -0.02 -3.16 115.31 120.82 2zqb h LEU 52 Ca -0.11 -0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.54 2zqb h LEU 52 Cb 1.49 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 42.40 2zqb h LEU 52 CO 0.15 0.49 -0.09 0.00 -0.34 0.00 0.00 178.44 178.64 2zqb h ALA 53 N 1.58 -0.26 -0.56 1.25 0.00 -1.52 0.16 119.26 119.91 2zqb h ALA 53 Ca 0.12 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 2zqb h ALA 53 Cb 0.22 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 2zqb h ALA 53 CO -0.00 -0.63 0.33 -1.00 0.00 0.00 0.00 179.25 177.94 2zqb h PRO 54 N -0.29 0.75 -0.05 0.00 0.13 -1.73 -2.18 132.00 128.63 2zqb h PRO 54 Ca -0.03 -0.06 -0.01 0.00 -0.87 0.00 0.00 66.00 65.03 2zqb h PRO 54 Cb 0.22 -0.16 -0.00 0.00 0.13 0.00 0.00 31.00 31.19 2zqb h PRO 54 CO 0.04 0.53 0.00 0.82 -0.23 0.00 0.00 178.00 179.17 2zqb h ILE 55 N 0.77 1.25 -0.73 -3.56 2.04 -1.34 -0.89 117.51 115.04 2zqb h ILE 55 Ca 0.20 -0.75 0.05 0.00 1.00 0.00 0.00 64.86 65.36 2zqb h ILE 55 Cb -0.02 1.66 -0.05 0.00 -0.74 0.00 0.00 36.82 37.66 2zqb h ILE 55 CO -0.04 0.20 0.45 0.58 0.00 0.00 0.00 178.15 179.34 2zqb h VAL 56 N -0.20 1.05 -0.77 1.67 2.07 -0.62 0.16 116.25 119.60 2zqb h VAL 56 Ca 0.01 -0.29 -0.04 0.00 0.82 0.00 0.00 66.70 67.20 2zqb h VAL 56 Cb 0.32 0.13 -0.03 0.00 -1.52 0.00 0.00 31.29 30.19 2zqb h VAL 56 CO 0.00 0.15 0.33 0.00 0.02 0.00 0.00 177.57 178.07 2zqb h ALA 57 N 1.34 1.00 -0.30 1.67 0.00 -1.36 -2.97 119.26 118.65 2zqb h ALA 57 Ca 0.31 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.93 2zqb h ALA 57 Cb 0.10 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 2zqb h ALA 57 CO -0.14 0.61 -0.25 -0.07 0.00 0.00 0.00 179.25 179.39 2zqb h LEU 58 N 1.11 0.75 -1.59 0.00 3.38 -0.62 -3.07 115.31 115.26 2zqb h LEU 58 Ca 0.26 -0.45 0.00 0.00 0.09 0.00 0.00 57.88 57.78 2zqb h LEU 58 Cb 0.19 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.73 2zqb h LEU 58 CO -0.02 1.04 0.00 -0.33 0.09 0.00 0.00 178.44 179.22 2zqb h GLU 59 N 0.46 0.00 0.00 1.13 5.08 -0.60 -2.49 114.58 118.16 2zqb h GLU 59 Ca 0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 2zqb h GLU 59 Cb 0.81 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.06 2zqb h GLU 59 CO 0.07 0.00 -0.56 0.00 -1.00 0.00 0.00 179.01 177.51 2zqb n ALA 60 N -1.86 3.12 -1.79 3.43 0.00 -1.13 -4.92 120.51 117.36 2zqb n ALA 60 Ca -0.01 -0.28 -0.35 0.00 0.00 0.00 0.00 53.44 52.80 2zqb n ALA 60 Cb 0.11 -1.16 -0.03 0.00 0.00 0.00 0.00 19.45 18.36 2zqb n ALA 60 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2zqb s LEU 61 N -3.73 3.98 0.00 0.00 1.43 -0.94 -4.99 118.68 114.43 2zqb s LEU 61 Ca 0.08 2.04 0.19 0.00 -1.03 0.00 0.00 54.13 55.41 2zqb s LEU 61 Cb 0.15 -4.37 0.12 0.00 0.03 0.00 0.00 46.19 42.12 2zqb s LEU 61 CO 0.71 -0.71 1.06 0.29 0.23 0.00 0.00 176.35 177.92 2zqb n LYS 62 N -0.56 1.61 -3.90 1.70 5.02 -1.26 -4.94 118.16 115.82 2zqb n LYS 62 Ca 0.07 -1.46 -0.08 0.00 -2.02 0.00 0.00 58.31 54.83 2zqb n LYS 62 Cb 0.51 -1.35 -0.03 0.00 -0.02 0.00 0.00 35.03 34.13 2zqb n LYS 62 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2zqb s GLU 63 N -1.68 1.67 0.41 1.97 8.01 -1.26 -5.17 118.70 122.65 2zqb s GLU 63 Ca 0.20 -1.07 -0.26 0.00 0.01 0.00 0.00 54.97 53.85 2zqb s GLU 63 Cb 0.15 0.55 -0.09 0.00 -4.31 0.00 0.00 34.13 30.44 2zqb s GLU 63 CO 0.28 -0.74 1.41 -1.25 0.01 0.00 0.00 175.26 174.97 2zqb s PRO 64 N -3.95 3.91 0.09 0.39 0.04 -1.26 -5.04 135.00 129.18 2zqb s PRO 64 Ca 0.15 2.39 -0.07 0.00 0.04 0.00 0.00 61.00 63.51 2zqb s PRO 64 Cb -0.04 -2.79 -0.01 0.00 0.04 0.00 0.00 34.50 31.70 2zqb s PRO 64 CO 0.07 -0.63 0.16 0.00 0.04 0.00 0.00 177.00 176.64 2zqb s LYS 66 N -3.89 3.69 -0.14 0.00 2.47 0.11 -1.90 119.74 120.07 2zqb s LYS 66 Ca 0.08 0.08 -0.02 0.00 -1.56 0.00 0.00 55.97 54.55 2zqb s LYS 66 Cb 0.05 -3.81 -0.02 0.00 -1.46 0.00 0.00 37.83 32.59 2zqb s LYS 66 CO -0.09 -0.75 -0.07 0.42 0.16 0.00 0.00 175.35 175.02 2zqb s ILE 67 N 2.75 3.58 -0.45 5.43 1.01 0.66 -1.63 121.20 132.55 2zqb s ILE 67 Ca 0.25 -0.47 -0.16 0.00 0.00 0.00 0.00 60.65 60.27 2zqb s ILE 67 Cb -0.14 -2.54 0.05 0.00 0.01 0.00 0.00 42.46 39.83 2zqb s ILE 67 CO 0.15 0.51 0.39 -0.63 0.00 0.00 0.00 174.94 175.36 2zqb s ILE 68 N 0.31 5.20 -0.20 2.92 1.01 -0.66 -0.26 121.20 129.52 2zqb s ILE 68 Ca -0.06 -0.80 -0.00 0.00 0.00 0.00 0.00 60.65 59.79 2zqb s ILE 68 Cb -0.15 -4.07 0.01 0.00 0.01 0.00 0.00 42.46 38.27 2zqb s ILE 68 CO 0.04 -0.49 -0.15 -0.22 0.00 0.00 0.00 174.94 174.11 2zqb s LEU 69 N 1.79 2.40 -0.11 2.97 0.20 -0.12 -1.07 118.68 124.74 2zqb s LEU 69 Ca 0.06 -0.62 0.03 0.00 0.69 0.00 0.00 54.13 54.29 2zqb s LEU 69 Cb -0.21 -1.55 0.00 0.00 -0.43 0.00 0.00 46.19 44.00 2zqb s LEU 69 CO 0.09 -0.02 -0.22 -0.89 -0.29 0.00 0.00 176.35 175.02 2zqb s THR 70 N 1.33 1.95 0.02 3.68 2.01 0.64 0.32 115.64 125.59 2zqb s THR 70 Ca 0.05 -0.94 -0.06 0.00 0.31 0.00 0.00 61.69 61.04 2zqb s THR 70 Cb -0.14 -1.70 -0.01 0.00 0.01 0.00 0.00 72.50 70.66 2zqb s THR 70 CO -0.10 0.53 0.11 -0.55 -0.69 0.00 0.00 174.62 173.92 2zqb s SER 71 N 0.54 0.12 -0.02 3.53 0.15 -1.02 -1.20 113.70 115.79 2zqb s SER 71 Ca -0.15 -0.40 0.19 0.00 0.70 0.00 0.00 55.95 56.29 2zqb s SER 71 Cb -0.17 0.21 0.55 0.00 -1.71 0.00 0.00 66.02 64.90 2zqb s SER 71 CO 0.05 -0.44 1.46 -0.67 1.20 0.00 0.00 173.24 174.85 2zqb n ASP 72 N 1.10 3.75 -4.47 5.45 2.03 -1.26 -0.83 116.55 122.32 2zqb n ASP 72 Ca -0.21 -2.07 -0.39 0.00 0.52 0.00 0.00 54.79 52.64 2zqb n ASP 72 Cb 0.57 -0.43 -0.11 0.00 -0.72 0.00 0.00 41.12 40.43 2zqb n ASP 72 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 2zqb s SER 73 N -1.01 5.73 0.57 1.67 0.15 -1.26 -4.88 113.70 114.66 2zqb s SER 73 Ca 0.42 -0.50 0.25 0.00 0.70 0.00 0.00 55.95 56.82 2zqb s SER 73 Cb 0.23 -2.05 1.61 0.00 -1.71 0.00 0.00 66.02 64.10 2zqb s SER 73 CO 0.27 -0.21 2.18 1.56 1.20 0.00 0.00 173.24 178.24 2zqb h GLN 74 N 8.40 0.00 0.44 5.44 1.08 -1.94 0.29 115.11 128.82 2zqb h GLN 74 Ca -0.32 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 56.86 2zqb h GLN 74 Cb 1.15 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.58 2zqb h GLN 74 CO 0.62 0.00 -0.21 -0.92 -0.95 0.00 0.00 178.83 177.37 2zqb h TYR 75 N 0.00 -0.55 -0.69 2.96 3.20 -1.98 -2.28 116.97 117.64 2zqb h TYR 75 Ca 0.03 -0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.84 2zqb h TYR 75 Cb 0.16 0.18 -0.03 0.00 1.54 0.00 0.00 36.73 38.58 2zqb h TYR 75 CO 0.00 -0.26 0.25 0.28 -1.64 0.00 0.00 178.16 176.79 2zqb h VAL 76 N -0.78 1.24 -0.46 1.81 2.07 -1.82 -2.77 116.25 115.55 2zqb h VAL 76 Ca -0.06 -0.80 0.01 0.00 0.82 0.00 0.00 66.70 66.66 2zqb h VAL 76 Cb 0.54 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 30.74 2zqb h VAL 76 CO 0.10 0.32 0.30 -0.09 0.02 0.00 0.00 177.57 178.22 2zqb h ARG 77 N 1.01 0.59 -0.08 1.57 2.43 -0.90 -2.00 114.38 117.00 2zqb h ARG 77 Ca 0.23 -0.04 -0.14 0.00 -0.81 0.00 0.00 59.98 59.22 2zqb h ARG 77 Cb 0.24 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.64 2zqb h ARG 77 CO -0.01 0.39 -0.58 1.96 -1.51 0.00 0.00 179.97 180.22 2zqb h GLN 78 N 0.61 0.27 -0.21 0.20 4.20 -1.23 0.11 115.11 119.06 2zqb h GLN 78 Ca 0.17 -0.18 -0.01 0.00 0.06 0.00 0.00 58.65 58.69 2zqb h GLN 78 Cb -0.06 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.73 2zqb h GLN 78 CO -0.04 0.77 0.10 0.78 -0.67 0.00 0.00 178.83 179.77 2zqb h GLY 79 N 1.41 0.33 0.77 3.46 0.00 -1.39 0.70 103.07 108.35 2zqb h GLY 79 Ca -0.00 -0.17 -0.01 0.00 0.00 0.00 0.00 47.33 47.16 2zqb h GLY 79 CO 0.09 0.16 0.01 -2.22 0.00 0.00 0.00 176.54 174.58 2zqb h ILE 80 N 0.21 1.20 -0.00 2.60 1.08 -0.69 0.39 117.51 122.31 2zqb h ILE 80 Ca 0.07 -0.61 -0.16 0.00 -0.39 0.00 0.00 64.86 63.77 2zqb h ILE 80 Cb 0.13 1.53 -0.02 0.00 -3.07 0.00 0.00 36.82 35.38 2zqb h ILE 80 CO -0.01 0.17 -0.76 0.24 -0.69 0.00 0.00 178.15 177.10 2zqb h MET 81 N -0.16 0.00 0.00 2.37 2.86 -0.81 -3.43 114.93 115.76 2zqb h MET 81 Ca 0.01 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 2zqb h MET 81 Cb 0.26 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.92 2zqb h MET 81 CO 0.00 0.76 0.00 -2.37 1.06 0.00 0.00 176.91 176.36 2zqb n THR 82 N -3.64 0.14 -0.13 2.22 5.66 0.23 -4.94 114.28 113.82 2zqb n THR 82 Ca -0.01 0.05 -0.05 0.00 -3.05 0.00 0.00 64.05 60.99 2zqb n THR 82 Cb 0.73 -0.54 0.01 0.00 -1.55 0.00 0.00 70.33 68.98 2zqb n THR 82 CO 0.00 0.00 0.00 -0.50 -3.05 0.00 0.00 175.07 171.52 2zqb h TRP 83 N 0.00 -0.52 -0.27 1.09 6.55 -1.26 -3.03 115.95 118.51 2zqb h TRP 83 Ca 0.00 0.05 0.06 0.00 0.95 0.00 0.00 58.89 59.95 2zqb h TRP 83 Cb 0.00 0.29 -0.08 0.00 -0.86 0.00 0.00 29.16 28.52 2zqb h TRP 83 CO 0.00 -0.29 -0.41 0.82 -1.05 0.00 0.00 178.44 177.51 2zqb h ILE 84 N -0.12 0.14 -0.17 1.49 2.04 -1.15 0.32 117.51 120.06 2zqb h ILE 84 Ca 0.21 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.12 2zqb h ILE 84 Cb 0.44 0.14 -0.07 0.00 -0.74 0.00 0.00 36.82 36.60 2zqb h ILE 84 CO -0.51 0.00 -0.37 -0.74 0.00 0.00 0.00 178.15 176.54 2zqb h HIS 85 N -0.40 -1.03 -0.79 1.37 2.76 -1.77 0.23 115.15 115.52 2zqb h HIS 85 Ca 0.11 0.05 0.07 0.00 -2.20 0.00 0.00 60.37 58.40 2zqb h HIS 85 Cb 0.60 0.48 -0.10 0.00 1.55 0.00 0.00 27.41 29.93 2zqb h HIS 85 CO -0.55 -0.43 -0.51 0.78 -1.30 0.00 0.00 177.93 175.92 2zqb h GLY 86 N -0.42 -1.10 0.98 5.26 0.00 -1.30 -2.53 103.07 103.96 2zqb h GLY 86 Ca 0.10 0.83 -0.02 0.00 0.00 0.00 0.00 47.33 48.24 2zqb h GLY 86 CO -0.40 -0.11 0.24 1.49 0.00 0.00 0.00 176.54 177.76 2zqb h TRP 87 N -0.05 0.77 -0.21 5.60 6.55 0.24 -2.63 115.95 126.23 2zqb h TRP 87 Ca 0.13 -0.05 0.00 0.00 0.95 0.00 0.00 58.89 59.93 2zqb h TRP 87 Cb 0.38 -0.24 -0.01 0.00 -0.86 0.00 0.00 29.16 28.43 2zqb h TRP 87 CO -0.97 0.62 0.14 -0.22 -1.05 0.00 0.00 178.44 176.95 2zqb h LYS 88 N 0.71 0.27 0.00 0.49 3.64 -0.43 0.22 116.57 121.47 2zqb h LYS 88 Ca 0.18 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.54 2zqb h LYS 88 Cb 0.15 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 31.91 2zqb h LYS 88 CO -0.02 0.18 0.00 0.36 -2.27 0.00 0.00 179.45 177.70 2zqb n LYS 89 N -4.95 0.79 -0.53 1.90 2.85 -0.97 -2.22 118.16 115.04 2zqb n LYS 89 Ca -0.03 0.00 0.05 0.00 -1.05 0.00 0.00 58.31 57.28 2zqb n LYS 89 Cb 0.03 -1.49 0.24 0.00 -0.65 0.00 0.00 35.03 33.16 2zqb n LYS 89 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 177.40 175.64 2zqb n ASN 90 N -0.99 3.44 -2.36 -5.58 5.15 0.25 -4.98 115.26 110.20 2zqb n ASN 90 Ca 0.18 -3.23 -0.21 0.00 -0.60 0.00 0.00 54.58 50.73 2zqb n ASN 90 Cb 0.08 -0.57 -0.01 0.00 -0.53 0.00 0.00 39.78 38.76 2zqb n ASN 90 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2zqb n GLY 91 N -0.74 -0.48 2.90 8.20 0.00 -0.75 -2.88 105.19 111.45 2zqb n GLY 91 Ca 0.25 -0.02 -0.18 0.00 0.00 0.00 0.00 46.02 46.08 2zqb n GLY 91 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2zqb n TRP 92 N -4.02 -1.85 -4.49 1.61 7.02 0.52 -5.00 117.44 111.24 2zqb n TRP 92 Ca -0.25 0.59 -0.32 0.00 -1.02 0.00 0.00 57.50 56.50 2zqb n TRP 92 Cb 0.69 -3.87 -0.11 0.00 -2.42 0.00 0.00 31.31 25.60 2zqb n TRP 92 CO 0.00 0.00 0.00 -1.64 -2.02 0.00 0.00 177.69 174.03 2zqb s MET 93 N -5.71 2.52 0.26 -0.99 -1.94 -1.14 -2.29 119.30 110.01 2zqb s MET 93 Ca 0.34 -0.74 -0.03 0.00 -1.71 0.00 0.00 55.69 53.55 2zqb s MET 93 Cb -0.15 -2.48 0.06 0.00 2.01 0.00 0.00 34.83 34.27 2zqb s MET 93 CO 0.42 0.60 0.36 0.25 -0.01 0.00 0.00 175.02 176.64 2zqb n THR 94 N 1.59 0.00 0.24 2.05 -2.24 0.13 -4.79 114.28 111.27 2zqb n THR 94 Ca -0.16 -0.36 0.18 0.00 -2.27 0.00 0.00 64.05 61.44 2zqb n THR 94 Cb 0.52 -1.60 0.88 0.00 -2.10 0.00 0.00 70.33 68.03 2zqb n THR 94 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 2zqb h SER 95 N -0.38 0.00 -0.40 3.42 4.64 -2.00 -1.66 113.55 117.16 2zqb h SER 95 Ca -0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.20 2zqb h SER 95 Cb 0.36 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 2zqb h SER 95 CO 0.10 0.00 0.00 0.59 -0.87 0.00 0.00 176.83 176.65 2zqb n ASN 96 N -3.49 2.44 0.00 4.97 3.02 -1.26 -4.89 115.26 116.04 2zqb n ASN 96 Ca 0.01 -1.93 0.00 0.00 -0.03 0.00 0.00 54.58 52.62 2zqb n ASN 96 Cb 0.32 -0.26 0.00 0.00 -0.61 0.00 0.00 39.78 39.23 2zqb n ASN 96 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2zqb n GLY 97 N 1.25 2.93 3.67 7.41 0.00 -0.62 -5.01 105.19 114.83 2zqb n GLY 97 Ca 0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.75 2zqb n GLY 97 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2zqb n THR 98 N -2.00 1.87 -1.95 2.61 -1.04 -1.26 -4.69 114.28 107.82 2zqb n THR 98 Ca 0.00 -0.47 -0.39 0.00 -2.04 0.00 0.00 64.05 61.15 2zqb n THR 98 Cb 0.00 -1.42 0.01 0.00 -1.82 0.00 0.00 70.33 67.10 2zqb n THR 98 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 2zqb s PRO 99 N -1.63 3.75 0.00 -2.82 0.04 -1.26 0.22 135.00 133.31 2zqb s PRO 99 Ca 0.58 2.22 -0.37 0.00 0.04 0.00 0.00 61.00 63.47 2zqb s PRO 99 Cb -0.61 -2.63 -0.15 0.00 0.04 0.00 0.00 34.50 31.15 2zqb s PRO 99 CO 0.60 -0.69 1.54 0.28 0.04 0.00 0.00 177.00 178.77 2zqb n VAL 100 N -0.18 0.13 -1.68 -0.36 0.31 -0.97 -4.72 118.33 110.87 2zqb n VAL 100 Ca 0.05 -0.02 -0.47 0.00 -0.01 0.00 0.00 64.34 63.89 2zqb n VAL 100 Cb 0.44 -1.18 -0.04 0.00 -0.91 0.00 0.00 33.84 32.14 2zqb n VAL 100 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 2zqb n LYS 101 N 3.80 2.32 -1.09 5.55 3.00 -1.26 -1.29 118.16 129.18 2zqb n LYS 101 Ca 0.20 0.85 -0.03 0.00 -0.00 0.00 0.00 58.31 59.33 2zqb n LYS 101 Cb 0.21 -2.70 -0.01 0.00 0.00 0.00 0.00 35.03 32.52 2zqb n LYS 101 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 2zqb n ASN 102 N 6.26 -3.51 -0.30 3.14 3.02 -1.26 -4.97 115.26 117.64 2zqb n ASN 102 Ca 0.21 0.08 0.13 0.00 -0.03 0.00 0.00 54.58 54.97 2zqb n ASN 102 Cb 0.31 -1.30 0.29 0.00 -0.61 0.00 0.00 39.78 38.48 2zqb n ASN 102 CO 0.00 0.00 0.00 1.62 -2.62 0.00 0.00 177.26 176.26 2zqb h VAL 103 N 0.00 0.34 -0.83 2.41 3.04 -1.56 -0.95 116.25 118.70 2zqb h VAL 103 Ca -0.07 -0.08 0.20 0.00 -1.01 0.00 0.00 66.70 65.75 2zqb h VAL 103 Cb 0.25 0.08 -0.14 0.00 -2.01 0.00 0.00 31.29 29.48 2zqb h VAL 103 CO 0.10 0.04 0.12 -2.24 -1.01 0.00 0.00 177.57 174.58 2zqb h ASP 104 N 0.23 -0.17 0.13 3.17 2.03 -1.93 -1.15 116.42 118.73 2zqb h ASP 104 Ca 0.55 0.20 -0.28 0.00 -0.73 0.00 0.00 57.03 56.77 2zqb h ASP 104 Cb 1.11 0.31 0.02 0.00 -0.83 0.00 0.00 39.33 39.94 2zqb h ASP 104 CO -0.63 -0.17 -1.17 -0.07 -1.03 0.00 0.00 179.24 176.17 2zqb h LEU 105 N 0.16 0.84 -0.90 0.15 3.38 -1.63 -3.14 115.31 114.18 2zqb h LEU 105 Ca 0.49 -0.74 -0.10 0.00 0.09 0.00 0.00 57.88 57.62 2zqb h LEU 105 Cb 0.93 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 2zqb h LEU 105 CO -0.67 1.55 -0.21 -0.50 0.09 0.00 0.00 178.44 178.71 2zqb h TRP 106 N 0.30 0.64 -0.13 1.13 4.06 -0.74 -2.16 115.95 119.05 2zqb h TRP 106 Ca -0.16 -0.13 -0.14 0.00 2.06 0.00 0.00 58.89 60.52 2zqb h TRP 106 Cb 1.83 -0.16 -0.01 0.00 -1.00 0.00 0.00 29.16 29.82 2zqb h TRP 106 CO 0.10 0.75 -0.53 0.87 -3.56 0.00 0.00 178.44 176.07 2zqb h LYS 107 N 0.52 0.37 -0.46 0.49 1.57 -1.34 0.67 116.57 118.38 2zqb h LYS 107 Ca 0.08 -0.22 -0.01 0.00 -1.87 0.00 0.00 60.65 58.62 2zqb h LYS 107 Cb 0.64 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.95 2zqb h LYS 107 CO 0.05 0.81 0.24 0.00 -0.57 0.00 0.00 179.45 179.98 2zqb h ARG 108 N 0.29 0.65 0.07 3.15 3.08 -1.42 -2.25 114.38 117.94 2zqb h ARG 108 Ca 0.01 -0.08 -0.00 0.00 0.07 0.00 0.00 59.98 59.97 2zqb h ARG 108 Cb 1.03 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.95 2zqb h ARG 108 CO 0.09 0.53 -0.03 1.25 -1.07 0.00 0.00 179.97 180.74 2zqb h LEU 109 N 0.61 -0.08 -1.04 3.04 5.85 -1.28 -0.38 115.31 122.03 2zqb h LEU 109 Ca 0.16 -0.07 0.12 0.00 0.84 0.00 0.00 57.88 58.92 2zqb h LEU 109 Cb 0.07 0.02 -0.08 0.00 0.37 0.00 0.00 40.66 41.04 2zqb h LEU 109 CO -0.02 0.03 0.63 -0.78 -0.34 0.00 0.00 178.44 177.95 2zqb h ASP 110 N -0.17 0.91 0.25 1.25 3.58 -0.90 0.33 116.42 121.66 2zqb h ASP 110 Ca -0.01 0.04 -0.01 0.00 0.42 0.00 0.00 57.03 57.47 2zqb h ASP 110 Cb 0.15 -0.14 0.00 0.00 1.72 0.00 0.00 39.33 41.06 2zqb h ASP 110 CO 0.02 0.49 -0.12 0.50 -2.88 0.00 0.00 179.24 177.25 2zqb h LYS 111 N 0.98 -0.32 -0.42 0.28 1.63 -1.14 -2.99 116.57 114.59 2zqb h LYS 111 Ca 0.48 0.02 0.08 0.00 -0.85 0.00 0.00 60.65 60.38 2zqb h LYS 111 Cb 0.48 0.07 -0.02 0.00 -0.60 0.00 0.00 32.23 32.16 2zqb h LYS 111 CO -0.25 0.04 0.29 0.00 -3.45 0.00 0.00 179.45 176.08 2zqb h ALA 112 N -0.24 2.09 -0.22 5.00 0.00 -0.94 -2.67 119.26 122.27 2zqb h ALA 112 Ca -0.03 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.73 2zqb h ALA 112 Cb 0.51 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 2zqb h ALA 112 CO 0.06 -0.18 -0.43 0.00 0.00 0.00 0.00 179.25 178.69 2zqb h ALA 113 N 1.78 0.84 0.00 0.00 0.00 -0.20 -3.07 119.26 118.62 2zqb h ALA 113 Ca 0.19 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.65 2zqb h ALA 113 Cb 0.46 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.14 2zqb h ALA 113 CO -0.04 0.65 0.20 1.96 0.00 0.00 0.00 179.25 182.02 2zqb h GLN 114 N 0.44 0.00 0.00 0.00 1.08 -1.40 -2.74 115.11 112.49 2zqb h GLN 114 Ca 0.03 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.23 2zqb h GLN 114 Cb 0.93 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.36 2zqb h GLN 114 CO 0.08 0.00 -0.46 1.28 -0.95 0.00 0.00 178.83 178.78 2zqb n LEU 115 N -2.92 0.56 -4.20 1.46 4.77 -1.16 -4.91 117.00 110.60 2zqb n LEU 115 Ca -0.02 0.21 -0.18 0.00 -0.03 0.00 0.00 56.01 55.99 2zqb n LEU 115 Cb 0.25 -0.25 -0.11 0.00 -2.33 0.00 0.00 43.42 40.97 2zqb n LEU 115 CO 0.16 0.00 -0.45 -1.00 -1.33 0.00 0.00 177.39 174.77 2zqb s HIS 116 N -3.09 1.27 -0.91 -1.77 3.76 -1.04 -4.29 115.29 109.23 2zqb s HIS 116 Ca 0.09 -0.52 -0.22 0.00 -0.15 0.00 0.00 55.06 54.26 2zqb s HIS 116 Cb 0.15 -0.69 0.08 0.00 1.11 0.00 0.00 32.58 33.23 2zqb s HIS 116 CO 0.68 0.08 1.24 -1.14 -0.85 0.00 0.00 174.74 174.76 2zqb s GLN 117 N -2.23 3.49 -0.18 1.40 0.74 -0.80 -4.98 119.66 117.10 2zqb s GLN 117 Ca 0.03 -1.23 -0.14 0.00 0.05 0.00 0.00 55.36 54.07 2zqb s GLN 117 Cb -0.07 -4.92 -0.04 0.00 1.10 0.00 0.00 33.01 29.08 2zqb s GLN 117 CO 0.02 -1.99 0.32 0.42 -0.55 0.00 0.00 175.29 173.52 2zqb s ILE 118 N 4.08 5.27 -0.29 -2.34 1.01 -1.26 -0.24 121.20 127.42 2zqb s ILE 118 Ca 0.37 0.57 -0.04 0.00 0.00 0.00 0.00 60.65 61.55 2zqb s ILE 118 Cb -0.05 -3.66 0.03 0.00 0.01 0.00 0.00 42.46 38.79 2zqb s ILE 118 CO -0.04 0.33 0.03 -0.62 0.00 0.00 0.00 174.94 174.64 2zqb s ASP 119 N 0.75 4.89 -0.21 3.58 -1.08 0.64 -4.97 116.67 120.27 2zqb s ASP 119 Ca 0.17 -0.92 -0.21 0.00 -0.52 0.00 0.00 52.55 51.06 2zqb s ASP 119 Cb -0.14 -1.79 -0.02 0.00 -1.46 0.00 0.00 42.92 39.51 2zqb s ASP 119 CO 0.06 -0.21 0.65 0.26 0.52 0.00 0.00 175.17 176.44 2zqb s TRP 120 N 1.39 3.35 -0.19 -5.34 0.52 -1.26 -0.95 118.94 116.46 2zqb s TRP 120 Ca -0.00 0.93 -0.07 0.00 0.02 0.00 0.00 56.10 56.97 2zqb s TRP 120 Cb -0.18 -2.83 -0.04 0.00 -1.15 0.00 0.00 33.47 29.27 2zqb s TRP 120 CO -0.00 -0.22 0.06 1.03 0.02 0.00 0.00 176.95 177.84 2zqb s ARG 121 N 2.10 3.91 -0.26 4.98 1.81 0.15 -4.92 118.95 126.72 2zqb s ARG 121 Ca 0.29 -0.37 -0.05 0.00 -1.72 0.00 0.00 55.73 53.87 2zqb s ARG 121 Cb -0.16 -3.22 -0.00 0.00 -0.45 0.00 0.00 34.95 31.12 2zqb s ARG 121 CO 0.10 0.19 0.03 -1.58 -0.68 0.00 0.00 175.30 173.35 2zqb s TRP 122 N 0.59 3.06 0.26 -0.53 0.52 -1.26 -2.44 118.94 119.14 2zqb s TRP 122 Ca 0.03 -0.89 -0.01 0.00 0.02 0.00 0.00 56.10 55.25 2zqb s TRP 122 Cb -0.13 -2.18 -0.04 0.00 -1.15 0.00 0.00 33.47 29.96 2zqb s TRP 122 CO 0.01 -0.53 0.46 0.14 0.02 0.00 0.00 176.95 177.05 2zqb s VAL 123 N 1.50 5.14 0.09 4.03 -7.23 -0.01 -4.99 120.40 118.93 2zqb s VAL 123 Ca 0.04 -0.33 0.04 0.00 -1.81 0.00 0.00 61.98 59.93 2zqb s VAL 123 Cb -0.16 -3.77 -0.23 0.00 0.56 0.00 0.00 36.38 32.78 2zqb s VAL 123 CO 0.00 -0.30 1.16 0.11 -0.31 0.00 0.00 175.10 175.76 2zqb h LYS 124 N 1.60 0.08 0.00 4.82 1.79 -1.93 -3.42 116.57 119.51 2zqb h LYS 124 Ca -0.49 -0.14 0.00 0.00 -2.18 0.00 0.00 60.65 57.85 2zqb h LYS 124 Cb 1.20 0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.90 2zqb h LYS 124 CO 0.66 1.01 0.00 0.41 -1.08 0.00 0.00 179.45 180.45 2zqb n GLY 128 N 1.43 0.81 0.00 3.86 0.00 -1.26 -5.10 105.19 104.94 2zqb n GLY 128 Ca -0.05 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.25 2zqb n GLY 128 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2zqb n HIS 129 N 0.00 0.00 -0.42 1.61 -0.00 -1.26 -5.06 115.22 110.09 2zqb n HIS 129 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 2zqb n HIS 129 Cb 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 29.87 2zqb n HIS 129 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2zqb n ALA 130 N 0.00 0.00 0.00 1.57 0.00 -1.26 -4.54 120.51 116.28 2zqb n ALA 130 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2zqb n ALA 130 Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.56 2zqb n ALA 130 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2zqb n GLU 131 N -2.00 2.57 -0.04 0.00 4.71 -1.26 -4.30 120.64 120.32 2zqb n GLU 131 Ca 0.00 0.00 -0.16 0.00 -0.01 0.00 0.00 57.16 56.99 2zqb n GLU 131 Cb 0.00 -0.83 -0.07 0.00 -1.01 0.00 0.00 31.44 29.53 2zqb n GLU 131 CO 0.00 0.00 0.00 -0.91 0.09 0.00 0.00 177.13 176.31 2zqb h ASN 132 N 0.00 0.88 -0.17 1.62 4.21 -1.94 -1.28 115.58 118.90 2zqb h ASN 132 Ca 0.00 -0.61 0.00 0.00 1.21 0.00 0.00 56.30 56.90 2zqb h ASN 132 Cb 0.59 -0.26 -0.01 0.00 -1.12 0.00 0.00 38.32 37.52 2zqb h ASN 132 CO 0.00 1.34 0.11 -0.08 -1.29 0.00 0.00 177.43 177.51 2zqb h GLU 133 N 0.48 0.23 -1.02 0.81 4.57 -1.91 -1.29 114.58 116.45 2zqb h GLU 133 Ca -0.03 -0.02 0.25 0.00 -1.18 0.00 0.00 59.36 58.38 2zqb h GLU 133 Cb 1.28 -0.05 -0.11 0.00 -0.16 0.00 0.00 28.75 29.71 2zqb h GLU 133 CO 0.14 0.18 0.63 -0.09 -1.18 0.00 0.00 179.01 178.68 2zqb h ARG 134 N 0.21 0.50 -0.45 1.92 9.65 -1.73 -1.59 114.38 122.89 2zqb h ARG 134 Ca 0.06 -0.03 -0.10 0.00 -1.10 0.00 0.00 59.98 58.82 2zqb h ARG 134 Cb 0.00 -0.11 -0.01 0.00 -1.39 0.00 0.00 29.97 28.46 2zqb h ARG 134 CO -0.01 0.33 -0.10 0.00 2.80 0.00 0.00 179.97 182.99 2zqb h HIS 136 N 0.69 0.80 -0.19 0.00 -0.00 -0.40 0.11 115.15 116.16 2zqb h HIS 136 Ca 0.11 -0.07 0.01 0.00 -0.00 0.00 0.00 60.37 60.43 2zqb h HIS 136 Cb 0.64 -0.24 -0.02 0.00 -0.00 0.00 0.00 27.41 27.79 2zqb h HIS 136 CO 0.05 0.67 0.08 1.96 -0.00 0.00 0.00 177.93 180.69 2zqb h GLN 137 N 0.76 0.17 -0.46 5.26 4.20 -1.25 -1.10 115.11 122.68 2zqb h GLN 137 Ca 0.17 -0.01 0.01 0.00 0.06 0.00 0.00 58.65 58.88 2zqb h GLN 137 Cb 0.27 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.99 2zqb h GLN 137 CO -0.00 0.11 0.30 -0.07 -0.67 0.00 0.00 178.83 178.50 2zqb h LEU 138 N 0.17 0.51 -0.11 1.46 3.38 -0.86 -1.95 115.31 117.92 2zqb h LEU 138 Ca 0.08 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 2zqb h LEU 138 Cb 0.03 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.66 2zqb h LEU 138 CO -0.07 0.37 0.00 0.00 0.09 0.00 0.00 178.44 178.83 2zqb h ALA 139 N 1.17 0.15 -0.78 1.53 0.00 -0.74 -2.68 119.26 117.91 2zqb h ALA 139 Ca 0.17 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.91 2zqb h ALA 139 Cb -0.06 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 2zqb h ALA 139 CO -0.04 -0.16 0.51 0.00 0.00 0.00 0.00 179.25 179.56 2zqb h ARG 140 N -0.08 1.02 -0.66 0.00 2.47 -1.11 -0.56 114.38 115.46 2zqb h ARG 140 Ca 0.03 -0.06 -0.07 0.00 -1.26 0.00 0.00 59.98 58.62 2zqb h ARG 140 Cb 0.35 -0.23 -0.03 0.00 -1.65 0.00 0.00 29.97 28.42 2zqb h ARG 140 CO 0.01 0.67 0.14 0.00 0.56 0.00 0.00 179.97 181.35 2zqb h ALA 141 N 1.29 1.01 -0.16 0.04 0.00 -1.37 -0.66 119.26 119.42 2zqb h ALA 141 Ca 0.29 -0.25 -0.18 0.00 0.00 0.00 0.00 54.91 54.77 2zqb h ALA 141 Cb -0.11 -0.25 0.01 0.00 0.00 0.00 0.00 17.79 17.43 2zqb h ALA 141 CO -0.06 0.64 -0.62 0.00 0.00 0.00 0.00 179.25 179.21 2zqb h ALA 142 N 1.15 0.29 0.00 0.00 0.00 -1.23 -1.72 119.26 117.76 2zqb h ALA 142 Ca 0.21 -0.54 -0.02 0.00 0.00 0.00 0.00 54.91 54.55 2zqb h ALA 142 Cb 0.37 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 2zqb h ALA 142 CO 0.00 0.55 -0.12 0.00 0.00 0.00 0.00 179.25 179.69 2zqb h ALA 143 N 0.55 1.66 -0.01 0.00 0.00 -0.80 -2.60 119.26 118.06 2zqb h ALA 143 Ca -0.03 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2zqb h ALA 143 Cb 1.25 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.02 2zqb h ALA 143 CO 0.13 0.15 -0.37 0.39 0.00 0.00 0.00 179.25 179.54 2zqb n GLU 144 N -4.19 1.14 -0.78 0.00 1.02 -0.28 -4.43 120.64 113.11 2zqb n GLU 144 Ca -0.03 -0.86 -0.15 0.00 -0.02 0.00 0.00 57.16 56.10 2zqb n GLU 144 Cb 0.20 -1.48 0.07 0.00 -0.02 0.00 0.00 31.44 30.21 2zqb n GLU 144 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2zqb n ALA 145 N -0.18 4.63 -3.86 0.62 0.00 -0.67 -4.87 120.51 116.18 2zqb n ALA 145 Ca 0.11 -1.69 -0.31 0.00 0.00 0.00 0.00 53.44 51.54 2zqb n ALA 145 Cb 0.43 -1.32 0.01 0.00 0.00 0.00 0.00 19.45 18.57 2zqb n ALA 145 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2zqb n ASN 146 N -0.15 -4.72 -4.77 0.00 3.02 -1.26 -4.94 115.26 102.44 2zqb n ASN 146 Ca 0.33 -1.05 -0.37 0.00 -0.03 0.00 0.00 54.58 53.45 2zqb n ASN 146 Cb 0.91 -1.82 -0.01 0.00 -0.61 0.00 0.00 39.78 38.24 2zqb n ASN 146 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2zqb s PRO 147 N -5.72 3.83 -0.05 3.52 0.04 -1.26 -4.93 135.00 130.43 2zqb s PRO 147 Ca 0.17 1.79 0.05 0.00 0.04 0.00 0.00 61.00 63.06 2zqb s PRO 147 Cb -0.09 -2.48 -0.07 0.00 0.04 0.00 0.00 34.50 31.90 2zqb s PRO 147 CO 0.92 -0.50 0.03 0.25 0.04 0.00 0.00 177.00 177.74 2zqb n THR 148 N -0.34 0.32 -1.42 1.26 -2.24 -1.26 -3.75 114.28 106.83 2zqb n THR 148 Ca 0.06 -0.21 -0.51 0.00 -2.27 0.00 0.00 64.05 61.12 2zqb n THR 148 Cb 0.48 -0.71 -0.05 0.00 -2.10 0.00 0.00 70.33 67.95 2zqb n THR 148 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 2zqb n GLN 149 N -2.13 0.00 -3.11 -0.78 7.27 -1.26 -4.28 117.38 113.09 2zqb n GLN 149 Ca -0.08 0.00 -0.39 0.00 0.07 0.00 0.00 57.00 56.60 2zqb n GLN 149 Cb 0.61 -1.15 -0.05 0.00 2.41 0.00 0.00 30.24 32.05 2zqb n GLN 149 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 2zqb s ILE 150 N -0.67 4.90 -0.74 1.69 1.01 -1.26 -1.40 121.20 124.73 2zqb s ILE 150 Ca 0.72 1.38 -0.26 0.00 0.00 0.00 0.00 60.65 62.49 2zqb s ILE 150 Cb -1.03 -4.00 0.01 0.00 0.01 0.00 0.00 42.46 37.45 2zqb s ILE 150 CO 0.56 0.36 1.54 -0.62 0.00 0.00 0.00 174.94 176.78 2zqb s ASP 151 N 0.10 5.83 0.23 3.58 -1.08 -1.26 -4.89 116.67 119.17 2zqb s ASP 151 Ca 0.34 -0.30 -0.01 0.00 -0.52 0.00 0.00 52.55 52.06 2zqb s ASP 151 Cb -0.19 -2.55 0.23 0.00 -1.46 0.00 0.00 42.92 38.95 2zqb s ASP 151 CO 0.19 -2.05 1.60 0.71 0.52 0.00 0.00 175.17 176.14 2zqb h THR 152 N 6.48 1.30 0.00 1.71 1.35 -1.96 -2.19 112.91 119.60 2zqb h THR 152 Ca -0.20 -1.54 0.00 0.00 -0.55 0.00 0.00 66.41 64.12 2zqb h THR 152 Cb 1.08 1.53 0.00 0.00 -1.73 0.00 0.00 68.15 69.03 2zqb h THR 152 CO 1.27 0.49 0.00 0.61 -0.25 0.00 0.00 175.52 177.64 2zqb n GLY 153 N -0.05 -1.42 0.13 5.82 0.00 -1.26 -5.22 105.19 103.18 2zqb n GLY 153 Ca -0.01 -0.11 0.15 0.00 0.00 0.00 0.00 46.02 46.05 2zqb n GLY 153 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30