#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cgl s ILE 8 N 0.00 5.14 0.66 1.55 1.01 -1.26 -5.04 121.20 123.26 3cgl s ILE 8 Ca 0.00 0.60 -0.07 0.00 0.00 0.00 0.00 60.65 61.19 3cgl s ILE 8 Cb 0.00 -3.76 0.04 0.00 0.01 0.00 0.00 42.46 38.75 3cgl s ILE 8 CO 0.00 0.10 0.98 -0.54 0.00 0.00 0.00 174.94 175.48 3cgl s LYS 9 N 2.15 2.50 0.45 2.79 -0.14 -1.26 -4.99 119.74 121.24 3cgl s LYS 9 Ca 0.17 -0.12 0.21 0.00 -1.36 0.00 0.00 55.97 54.86 3cgl s LYS 9 Cb -0.16 -2.20 1.06 0.00 -1.68 0.00 0.00 37.83 34.85 3cgl s LYS 9 CO 0.10 -1.03 1.93 0.93 -0.76 0.00 0.00 175.35 176.52 3cgl h GLU 10 N -0.45 0.00 -4.89 1.68 4.39 -1.97 -3.41 114.58 109.93 3cgl h GLU 10 Ca -0.45 0.00 -0.47 0.00 0.34 0.00 0.00 59.36 58.78 3cgl h GLU 10 Cb 1.29 0.00 -0.31 0.00 -0.10 0.00 0.00 28.75 29.63 3cgl h GLU 10 CO 0.61 0.24 -0.80 -2.00 -1.16 0.00 0.00 179.01 175.89 3cgl s GLU 11 N -4.11 1.22 0.04 2.33 2.56 -1.26 -4.01 118.70 115.46 3cgl s GLU 11 Ca -0.02 -0.42 -0.02 0.00 0.00 0.00 0.00 54.97 54.50 3cgl s GLU 11 Cb 0.13 -1.11 -0.02 0.00 2.00 0.00 0.00 34.13 35.13 3cgl s GLU 11 CO 0.65 0.18 0.02 -1.64 -0.56 0.00 0.00 175.26 173.91 3cgl s MET 12 N 0.07 0.52 0.17 4.30 -1.94 -0.38 -4.99 119.30 117.06 3cgl s MET 12 Ca -0.02 -0.89 0.02 0.00 -1.71 0.00 0.00 55.69 53.09 3cgl s MET 12 Cb -0.09 0.19 -0.04 0.00 2.01 0.00 0.00 34.83 36.91 3cgl s MET 12 CO 0.01 -0.11 0.32 -0.51 -0.01 0.00 0.00 175.02 174.72 3cgl s LEU 13 N -2.25 4.30 -0.10 -0.03 1.43 0.24 -0.20 118.68 122.08 3cgl s LEU 13 Ca -0.03 0.23 0.01 0.00 -1.03 0.00 0.00 54.13 53.30 3cgl s LEU 13 Cb -0.00 -2.98 0.02 0.00 0.03 0.00 0.00 46.19 43.26 3cgl s LEU 13 CO -0.06 0.01 -0.10 -0.63 0.23 0.00 0.00 176.35 175.81 3cgl s ILE 14 N -1.81 1.10 -0.08 -0.59 1.01 0.67 -0.53 121.20 120.97 3cgl s ILE 14 Ca 0.36 -0.38 0.04 0.00 0.00 0.00 0.00 60.65 60.66 3cgl s ILE 14 Cb -0.11 -1.06 -0.01 0.00 0.01 0.00 0.00 42.46 41.29 3cgl s ILE 14 CO 0.29 0.37 -0.22 -0.62 0.00 0.00 0.00 174.94 174.75 3cgl s ASP 15 N 1.26 3.29 0.07 3.58 -1.08 -0.11 0.41 116.67 124.10 3cgl s ASP 15 Ca -0.03 -0.48 0.01 0.00 -0.52 0.00 0.00 52.55 51.53 3cgl s ASP 15 Cb -0.14 -1.15 -0.04 0.00 -1.46 0.00 0.00 42.92 40.13 3cgl s ASP 15 CO -0.03 0.21 -0.06 -1.48 0.52 0.00 0.00 175.17 174.33 3cgl s LEU 16 N 0.05 2.42 -0.07 -1.34 0.05 0.89 -1.32 118.68 119.36 3cgl s LEU 16 Ca -0.09 -0.85 -0.04 0.00 0.05 0.00 0.00 54.13 53.21 3cgl s LEU 16 Cb -0.15 -0.04 0.04 0.00 -2.05 0.00 0.00 46.19 43.98 3cgl s LEU 16 CO 0.06 -0.41 0.17 -2.28 -0.55 0.00 0.00 176.35 173.34 3cgl s HIS 17 N -2.92 -0.20 -0.03 3.48 2.46 -1.07 -1.50 115.29 115.51 3cgl s HIS 17 Ca 0.03 0.53 0.06 0.00 0.47 0.00 0.00 55.06 56.15 3cgl s HIS 17 Cb 0.01 -0.04 -0.01 0.00 -0.13 0.00 0.00 32.58 32.41 3cgl s HIS 17 CO -0.04 -0.17 -0.22 -1.17 -2.47 0.00 0.00 174.74 170.67 3cgl s LEU 18 N 1.01 2.02 -0.06 8.88 0.20 0.12 -1.28 118.68 129.57 3cgl s LEU 18 Ca -0.08 -0.42 0.02 0.00 0.69 0.00 0.00 54.13 54.34 3cgl s LEU 18 Cb -0.10 -1.18 0.02 0.00 -0.43 0.00 0.00 46.19 44.51 3cgl s LEU 18 CO -0.05 0.24 -0.09 -1.61 -0.29 0.00 0.00 176.35 174.55 3cgl s GLU 19 N -0.31 1.39 0.23 1.98 8.01 -0.80 -1.65 118.70 127.55 3cgl s GLU 19 Ca 0.03 -0.29 -0.18 0.00 0.01 0.00 0.00 54.97 54.54 3cgl s GLU 19 Cb -0.11 -1.24 0.02 0.00 -4.31 0.00 0.00 34.13 28.50 3cgl s GLU 19 CO 0.01 -0.04 0.58 0.20 0.01 0.00 0.00 175.26 176.01 3cgl s GLY 20 N 0.87 -0.01 0.14 -1.39 0.00 -0.73 -0.43 107.32 105.77 3cgl s GLY 20 Ca -0.11 -0.32 0.07 0.00 0.00 0.00 0.00 44.72 44.36 3cgl s GLY 20 CO 0.01 -0.25 -0.17 -1.59 0.00 0.00 0.00 173.10 171.10 3cgl s THR 21 N -3.91 1.60 0.00 0.90 2.01 -0.85 -1.31 115.64 114.08 3cgl s THR 21 Ca 0.12 -1.76 0.00 0.00 0.31 0.00 0.00 61.69 60.35 3cgl s THR 21 Cb -0.02 -1.66 0.00 0.00 0.01 0.00 0.00 72.50 70.83 3cgl s THR 21 CO 0.02 -0.31 0.00 0.49 -0.69 0.00 0.00 174.62 174.13 3cgl n PHE 22 N 0.54 0.00 -1.25 4.92 3.01 -1.26 -0.22 117.46 123.20 3cgl n PHE 22 Ca -0.15 0.00 -0.00 0.00 1.01 0.00 0.00 57.45 58.31 3cgl n PHE 22 Cb 0.56 0.00 -0.00 0.00 -0.01 0.00 0.00 39.48 40.03 3cgl n PHE 22 CO 0.00 0.00 0.00 1.58 1.01 0.00 0.00 176.76 179.35 3cgl n HIS 25 N -0.25 -0.43 -2.88 1.38 -0.00 -1.26 -4.96 115.22 106.82 3cgl n HIS 25 Ca 0.00 0.25 -0.40 0.00 -0.00 0.00 0.00 57.72 57.57 3cgl n HIS 25 Cb 0.00 -2.05 -0.06 0.00 -0.00 0.00 0.00 29.99 27.88 3cgl n HIS 25 CO 0.00 0.00 0.00 -0.47 -0.00 0.00 0.00 176.34 175.87 3cgl s TYR 26 N -0.06 3.91 0.01 1.57 6.14 -1.26 -4.97 117.35 122.70 3cgl s TYR 26 Ca -0.01 1.73 -0.13 0.00 0.64 0.00 0.00 57.07 59.30 3cgl s TYR 26 Cb 0.00 -2.87 0.02 0.00 0.42 0.00 0.00 41.96 39.53 3cgl s TYR 26 CO 0.02 0.45 0.28 -0.59 0.64 0.00 0.00 175.55 176.35 3cgl s PHE 27 N -0.97 -0.11 -0.01 4.97 -0.71 -0.43 -4.76 117.98 115.96 3cgl s PHE 27 Ca 0.39 0.09 0.03 0.00 -1.04 0.00 0.00 56.93 56.40 3cgl s PHE 27 Cb -0.24 0.07 -0.01 0.00 -1.21 0.00 0.00 43.02 41.63 3cgl s PHE 27 CO 0.28 -0.41 -0.11 -2.00 -1.34 0.00 0.00 175.22 171.64 3cgl s GLU 28 N -1.78 0.94 -0.01 1.99 2.12 -1.09 -1.77 118.70 119.11 3cgl s GLU 28 Ca -0.11 -0.39 0.01 0.00 0.36 0.00 0.00 54.97 54.85 3cgl s GLU 28 Cb -0.04 -0.90 -0.00 0.00 0.26 0.00 0.00 34.13 33.45 3cgl s GLU 28 CO 0.01 0.22 -0.04 0.42 -0.54 0.00 0.00 175.26 175.34 3cgl s ILE 29 N -0.18 0.30 0.21 -3.70 1.01 -0.66 -0.29 121.20 117.90 3cgl s ILE 29 Ca 0.03 -0.15 0.11 0.00 0.00 0.00 0.00 60.65 60.64 3cgl s ILE 29 Cb -0.05 -0.26 -0.05 0.00 0.01 0.00 0.00 42.46 42.11 3cgl s ILE 29 CO -0.00 0.09 -0.21 -0.54 0.00 0.00 0.00 174.94 174.28 3cgl s LYS 30 N -0.00 1.50 -0.05 2.79 1.02 -0.44 0.13 119.74 124.69 3cgl s LYS 30 Ca 0.00 -1.57 -0.27 0.00 0.02 0.00 0.00 55.97 54.15 3cgl s LYS 30 Cb -0.02 -1.68 0.06 0.00 -0.52 0.00 0.00 37.83 35.66 3cgl s LYS 30 CO -0.00 0.34 0.61 0.20 -0.92 0.00 0.00 175.35 175.58 3cgl s GLY 31 N -2.94 -0.49 0.08 -3.33 0.00 -0.56 -0.75 107.32 99.32 3cgl s GLY 31 Ca 0.22 1.16 0.08 0.00 0.00 0.00 0.00 44.72 46.18 3cgl s GLY 31 CO 0.10 0.83 -0.22 0.54 0.00 0.00 0.00 173.10 174.36 3cgl s LYS 32 N -1.13 1.30 0.34 2.90 -0.14 -0.78 -0.07 119.74 122.16 3cgl s LYS 32 Ca -0.11 -1.09 -0.14 0.00 -1.36 0.00 0.00 55.97 53.27 3cgl s LYS 32 Cb -0.01 -1.52 0.03 0.00 -1.68 0.00 0.00 37.83 34.65 3cgl s LYS 32 CO 0.08 0.37 0.69 0.20 -0.76 0.00 0.00 175.35 175.93 3cgl s GLY 33 N -1.58 0.49 0.01 -3.33 0.00 0.17 -0.77 107.32 102.30 3cgl s GLY 33 Ca 0.08 -0.81 0.02 0.00 0.00 0.00 0.00 44.72 44.01 3cgl s GLY 33 CO 0.03 -0.42 -0.06 0.54 0.00 0.00 0.00 173.10 173.20 3cgl s LYS 34 N -2.95 0.43 0.21 2.90 3.01 -0.60 -0.24 119.74 122.50 3cgl s LYS 34 Ca 0.18 -0.36 -0.00 0.00 -1.01 0.00 0.00 55.97 54.78 3cgl s LYS 34 Cb -0.04 -0.34 -0.04 0.00 -1.01 0.00 0.00 37.83 36.39 3cgl s LYS 34 CO 0.12 0.08 0.11 0.20 0.51 0.00 0.00 175.35 176.37 3cgl s GLY 35 N -0.59 1.47 -0.40 -3.33 0.00 0.72 -0.88 107.32 104.32 3cgl s GLY 35 Ca -0.02 -1.72 0.01 0.00 0.00 0.00 0.00 44.72 42.99 3cgl s GLY 35 CO -0.00 -1.45 0.21 1.20 0.00 0.00 0.00 173.10 173.05 3cgl s GLN 36 N -4.11 1.01 0.28 2.90 1.11 0.87 -1.25 119.66 120.48 3cgl s GLN 36 Ca 0.37 -1.68 0.01 0.00 0.01 0.00 0.00 55.36 54.07 3cgl s GLN 36 Cb 0.07 -2.03 0.58 0.00 -1.01 0.00 0.00 33.01 30.62 3cgl s GLN 36 CO 0.11 -1.14 1.81 -1.35 0.01 0.00 0.00 175.29 174.73 3cgl h PRO 37 N 7.04 0.83 -0.17 2.91 0.11 -1.79 -0.56 132.00 140.37 3cgl h PRO 37 Ca -0.02 -0.05 -0.18 0.00 0.11 0.00 0.00 66.00 65.86 3cgl h PRO 37 Cb 0.95 -0.19 -0.00 0.00 0.11 0.00 0.00 31.00 31.87 3cgl h PRO 37 CO 0.43 0.55 -0.64 -0.91 -0.21 0.00 0.00 178.00 177.22 3cgl h ASN 38 N 0.85 0.72 1.21 -2.05 2.35 -1.85 -3.20 115.58 113.61 3cgl h ASN 38 Ca 0.50 -0.42 0.00 0.00 -0.55 0.00 0.00 56.30 55.83 3cgl h ASN 38 Cb 0.61 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.77 3cgl h ASN 38 CO -0.31 1.18 0.00 -0.62 -1.65 0.00 0.00 177.43 176.03 3cgl n GLU 39 N -3.93 0.13 -2.43 0.81 -0.58 -0.73 -4.51 120.64 109.40 3cgl n GLU 39 Ca -0.05 0.12 -0.11 0.00 -0.42 0.00 0.00 57.16 56.71 3cgl n GLU 39 Cb 0.66 -1.65 0.01 0.00 -0.57 0.00 0.00 31.44 29.88 3cgl n GLU 39 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3cgl n GLY 40 N 1.35 0.02 3.23 0.62 0.00 -0.30 -4.63 105.19 105.48 3cgl n GLY 40 Ca 0.06 -0.39 -0.23 0.00 0.00 0.00 0.00 46.02 45.46 3cgl n GLY 40 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3cgl s THR 41 N -2.69 1.50 -0.04 2.61 -4.23 -1.10 -1.06 115.64 110.64 3cgl s THR 41 Ca 0.08 -1.33 -0.23 0.00 -1.18 0.00 0.00 61.69 59.03 3cgl s THR 41 Cb -0.03 -1.36 0.05 0.00 1.34 0.00 0.00 72.50 72.49 3cgl s THR 41 CO 0.10 -0.01 0.49 0.54 -0.54 0.00 0.00 174.62 175.20 3cgl s ASN 42 N -1.58 -0.43 -0.08 3.99 2.20 -0.86 -0.09 114.94 118.10 3cgl s ASN 42 Ca 0.04 0.42 0.02 0.00 -0.94 0.00 0.00 52.86 52.40 3cgl s ASN 42 Cb -0.09 0.44 0.01 0.00 -2.00 0.00 0.00 41.25 39.61 3cgl s ASN 42 CO 0.03 -0.52 -0.13 -0.89 -2.94 0.00 0.00 177.10 172.65 3cgl s THR 43 N -1.21 1.26 0.07 0.54 2.01 -0.06 -1.26 115.64 116.99 3cgl s THR 43 Ca -0.12 -0.53 0.07 0.00 0.31 0.00 0.00 61.69 61.42 3cgl s THR 43 Cb -0.03 -1.15 -0.03 0.00 0.01 0.00 0.00 72.50 71.30 3cgl s THR 43 CO 0.07 0.39 -0.19 0.68 -0.69 0.00 0.00 174.62 174.87 3cgl s VAL 44 N 0.81 1.56 -0.17 3.82 -7.23 -0.51 -1.56 120.40 117.11 3cgl s VAL 44 Ca -0.11 -1.32 0.00 0.00 -1.81 0.00 0.00 61.98 58.74 3cgl s VAL 44 Cb -0.15 -1.40 0.01 0.00 0.56 0.00 0.00 36.38 35.39 3cgl s VAL 44 CO 0.02 0.03 -0.17 -0.89 -0.31 0.00 0.00 175.10 173.78 3cgl s THR 45 N -0.99 2.41 0.06 5.32 2.01 0.05 -1.21 115.64 123.29 3cgl s THR 45 Ca 0.05 -0.84 0.06 0.00 0.31 0.00 0.00 61.69 61.28 3cgl s THR 45 Cb -0.09 -2.02 -0.04 0.00 0.01 0.00 0.00 72.50 70.36 3cgl s THR 45 CO 0.03 0.52 -0.11 -0.76 -0.69 0.00 0.00 174.62 173.60 3cgl s LEU 46 N 1.10 2.96 -0.05 4.42 2.01 0.11 -1.87 118.68 127.37 3cgl s LEU 46 Ca 0.00 -0.34 0.02 0.00 0.01 0.00 0.00 54.13 53.82 3cgl s LEU 46 Cb -0.14 -1.75 0.01 0.00 0.01 0.00 0.00 46.19 44.32 3cgl s LEU 46 CO -0.06 0.22 -0.08 -1.61 1.01 0.00 0.00 176.35 175.83 3cgl s GLU 47 N -1.83 1.15 -0.29 1.70 2.02 0.07 -1.23 118.70 120.29 3cgl s GLU 47 Ca 0.19 -0.26 -0.29 0.00 0.02 0.00 0.00 54.97 54.63 3cgl s GLU 47 Cb -0.11 -1.03 -0.00 0.00 0.10 0.00 0.00 34.13 33.08 3cgl s GLU 47 CO 0.10 0.01 1.38 0.08 0.02 0.00 0.00 175.26 176.85 3cgl s VAL 48 N 0.64 4.02 0.00 2.63 1.01 -0.63 -1.33 120.40 126.73 3cgl s VAL 48 Ca -0.11 1.14 0.00 0.00 0.00 0.00 0.00 61.98 63.01 3cgl s VAL 48 Cb -0.13 -4.06 0.00 0.00 0.00 0.00 0.00 36.38 32.18 3cgl s VAL 48 CO 0.01 -0.46 0.00 0.41 0.00 0.00 0.00 175.10 175.06 3cgl n THR 49 N 6.34 0.00 -3.09 3.92 -1.04 0.60 -4.83 114.28 116.19 3cgl n THR 49 Ca 0.16 0.00 -0.45 0.00 -2.04 0.00 0.00 64.05 61.72 3cgl n THR 49 Cb 0.46 -0.12 -0.03 0.00 -1.82 0.00 0.00 70.33 68.82 3cgl n THR 49 CO 0.00 0.00 0.00 -1.59 -0.64 0.00 0.00 175.07 172.84 3cgl s LYS 50 N 0.00 3.51 0.06 -2.82 0.00 -1.23 -4.73 119.74 114.52 3cgl s LYS 50 Ca 0.00 -1.92 0.00 0.00 0.00 0.00 0.00 55.97 54.05 3cgl s LYS 50 Cb 0.00 -4.64 0.00 0.00 0.00 0.00 0.00 37.83 33.19 3cgl s LYS 50 CO 0.00 -1.57 0.00 0.41 0.00 0.00 0.00 175.35 174.19 3cgl n GLY 51 N 4.93 -3.96 0.00 0.59 0.00 -1.26 -2.89 105.19 102.59 3cgl n GLY 51 Ca 0.15 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.47 3cgl n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cgl n GLY 52 N 0.25 3.66 0.00 -0.02 0.00 -1.26 -2.66 105.19 105.17 3cgl n GLY 52 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.86 3cgl n GLY 52 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3cgl n PRO 53 N -0.46 0.00 -1.63 1.61 -0.02 -1.26 -4.41 135.00 128.84 3cgl n PRO 53 Ca 0.00 0.00 -0.59 0.00 -2.02 0.00 0.00 63.50 60.89 3cgl n PRO 53 Cb 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 33.50 33.40 3cgl n PRO 53 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3cgl n LEU 54 N 0.00 1.18 -0.62 2.45 4.77 -1.26 -4.85 117.00 118.67 3cgl n LEU 54 Ca 0.00 1.14 0.02 0.00 -0.03 0.00 0.00 56.01 57.14 3cgl n LEU 54 Cb 0.00 -1.02 0.09 0.00 -2.33 0.00 0.00 43.42 40.16 3cgl n LEU 54 CO 0.00 -1.13 0.47 -0.81 -1.33 0.00 0.00 177.39 174.59 3cgl n PRO 55 N 3.16 1.71 -4.15 3.23 -0.04 -1.26 -4.84 135.00 132.82 3cgl n PRO 55 Ca 0.24 -0.71 -0.10 0.00 -0.04 0.00 0.00 63.50 62.89 3cgl n PRO 55 Cb 0.08 -1.45 -0.10 0.00 -0.04 0.00 0.00 33.50 31.99 3cgl n PRO 55 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 3cgl s PHE 56 N -1.57 0.90 0.21 0.54 -0.12 -1.26 -4.71 117.98 111.97 3cgl s PHE 56 Ca 0.13 -1.24 -0.30 0.00 -0.05 0.00 0.00 56.93 55.46 3cgl s PHE 56 Cb 0.08 -0.48 -0.09 0.00 -0.63 0.00 0.00 43.02 41.91 3cgl s PHE 56 CO 0.06 -0.55 1.30 0.20 -0.05 0.00 0.00 175.22 176.18 3cgl s GLY 57 N -3.07 2.51 0.25 1.99 0.00 -1.26 -4.92 107.32 102.82 3cgl s GLY 57 Ca 0.27 1.11 -0.05 0.00 0.00 0.00 0.00 44.72 46.04 3cgl s GLY 57 CO 0.04 2.04 1.87 -0.25 0.00 0.00 0.00 173.10 176.80 3cgl h TRP 58 N 5.22 1.09 -0.53 1.90 2.91 -1.96 -3.32 115.95 121.26 3cgl h TRP 58 Ca -0.45 0.03 0.12 0.00 1.13 0.00 0.00 58.89 59.72 3cgl h TRP 58 Cb 1.21 -0.36 -0.03 0.00 -0.51 0.00 0.00 29.16 29.48 3cgl h TRP 58 CO 0.62 0.59 0.37 0.45 -1.03 0.00 0.00 178.44 179.43 3cgl h HIS 59 N 1.09 0.19 0.00 2.65 -0.00 -1.92 0.18 115.15 117.34 3cgl h HIS 59 Ca 0.38 0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.76 3cgl h HIS 59 Cb 0.09 -0.06 0.00 0.00 -0.00 0.00 0.00 27.41 27.44 3cgl h HIS 59 CO -0.02 0.08 0.04 -0.84 -0.00 0.00 0.00 177.93 177.20 3cgl h ILE 60 N 0.17 0.00 0.00 2.45 3.07 -1.99 -1.89 117.51 119.32 3cgl h ILE 60 Ca 0.25 0.00 -0.09 0.00 1.55 0.00 0.00 64.86 66.57 3cgl h ILE 60 Cb 0.76 0.71 -0.02 0.00 -0.27 0.00 0.00 36.82 38.01 3cgl h ILE 60 CO -0.04 0.00 -1.34 0.18 -1.05 0.00 0.00 178.15 175.90 3cgl n LEU 61 N -2.66 0.74 -0.23 0.16 4.77 0.05 -4.55 117.00 115.29 3cgl n LEU 61 Ca -0.02 0.31 -0.02 0.00 -0.03 0.00 0.00 56.01 56.24 3cgl n LEU 61 Cb 0.09 0.03 0.04 0.00 -2.33 0.00 0.00 43.42 41.25 3cgl n LEU 61 CO 0.14 0.01 0.66 0.00 -1.33 0.00 0.00 177.39 176.87 3cgl n PRO 63 N -5.46 0.03 -0.07 0.00 -0.02 -1.26 -2.62 135.00 125.60 3cgl n PRO 63 Ca 0.07 0.20 -0.13 0.00 -2.02 0.00 0.00 63.50 61.61 3cgl n PRO 63 Cb 0.37 -1.54 -0.06 0.00 -0.02 0.00 0.00 33.50 32.25 3cgl n PRO 63 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 3cgl h GLN 64 N 0.00 0.53 -3.94 -0.52 7.50 -1.12 -3.45 115.11 114.11 3cgl h GLN 64 Ca 0.00 -0.28 -0.60 0.00 0.50 0.00 0.00 58.65 58.26 3cgl h GLN 64 Cb 0.34 0.01 0.02 0.00 0.05 0.00 0.00 27.48 27.90 3cgl h GLN 64 CO 0.00 0.87 2.76 1.19 -1.50 0.00 0.00 178.83 182.15 3cgl n PHE 65 N -4.40 2.22 0.00 2.96 3.01 -1.08 -5.04 117.46 115.13 3cgl n PHE 65 Ca -0.05 -2.28 0.00 0.00 1.01 0.00 0.00 57.45 56.13 3cgl n PHE 65 Cb 0.42 -2.00 0.00 0.00 -0.01 0.00 0.00 39.48 37.90 3cgl n PHE 65 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 3cgl n ASN 69 N 5.90 0.00 -0.11 4.37 5.15 -1.26 -5.05 115.26 124.25 3cgl n ASN 69 Ca 0.52 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.50 3cgl n ASN 69 Cb 0.31 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.56 3cgl n ASN 69 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 3cgl n LYS 70 N 0.00 0.79 0.25 1.20 4.76 -1.26 -0.94 118.16 122.96 3cgl n LYS 70 Ca 0.00 0.00 0.13 0.00 -2.87 0.00 0.00 58.31 55.57 3cgl n LYS 70 Cb 0.00 -1.09 0.61 0.00 -1.84 0.00 0.00 35.03 32.71 3cgl n LYS 70 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3cgl h ALA 71 N 2.41 1.09 -0.60 7.82 0.00 -1.97 -3.16 119.26 124.85 3cgl h ALA 71 Ca 0.00 -0.13 -0.53 0.00 0.00 0.00 0.00 54.91 54.25 3cgl h ALA 71 Cb 0.09 -0.02 -0.19 0.00 0.00 0.00 0.00 17.79 17.67 3cgl h ALA 71 CO 0.00 0.18 0.49 1.19 0.00 0.00 0.00 179.25 181.11 3cgl n PHE 72 N -3.39 1.81 -4.69 0.00 3.01 -0.12 -4.73 117.46 109.35 3cgl n PHE 72 Ca -0.00 -2.01 -0.30 0.00 1.01 0.00 0.00 57.45 56.14 3cgl n PHE 72 Cb 0.34 -1.33 -0.17 0.00 -0.01 0.00 0.00 39.48 38.31 3cgl n PHE 72 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 3cgl s VAL 73 N -2.68 1.75 0.01 -4.37 1.01 -1.19 -4.20 120.40 110.73 3cgl s VAL 73 Ca 0.56 -0.81 -0.30 0.00 0.00 0.00 0.00 61.98 61.43 3cgl s VAL 73 Cb 0.38 -1.56 -0.07 0.00 0.00 0.00 0.00 36.38 35.13 3cgl s VAL 73 CO -0.23 0.49 1.72 -2.28 0.00 0.00 0.00 175.10 174.80 3cgl s HIS 74 N 0.77 1.99 -0.13 5.22 2.46 -0.43 -4.71 115.29 120.45 3cgl s HIS 74 Ca -0.10 0.10 -0.01 0.00 0.47 0.00 0.00 55.06 55.52 3cgl s HIS 74 Cb -0.16 -4.00 -0.02 0.00 -0.13 0.00 0.00 32.58 28.27 3cgl s HIS 74 CO 0.01 -4.22 -0.10 -1.01 -2.47 0.00 0.00 174.74 166.95 3cgl s HIS 75 N 3.63 2.88 0.82 3.88 3.76 -1.26 -0.09 115.29 128.91 3cgl s HIS 75 Ca 0.77 -0.46 -0.11 0.00 -0.15 0.00 0.00 55.06 55.11 3cgl s HIS 75 Cb -0.38 -1.86 0.09 0.00 1.11 0.00 0.00 32.58 31.54 3cgl s HIS 75 CO 0.33 -0.10 1.09 -2.14 -0.85 0.00 0.00 174.74 173.08 3cgl s PRO 76 N 0.21 1.84 0.62 8.40 0.02 -1.26 -4.93 135.00 139.90 3cgl s PRO 76 Ca -0.06 1.00 0.37 0.00 0.02 0.00 0.00 61.00 62.33 3cgl s PRO 76 Cb -0.15 -1.86 2.08 0.00 0.02 0.00 0.00 34.50 34.60 3cgl s PRO 76 CO 0.04 -1.89 2.30 0.38 -0.33 0.00 0.00 177.00 177.50 3cgl h ASP 77 N -1.30 0.00 1.51 2.53 -0.00 -2.00 -2.47 116.42 114.70 3cgl h ASP 77 Ca -0.46 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 56.57 3cgl h ASP 77 Cb 1.25 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.58 3cgl h ASP 77 CO 0.53 0.01 -0.07 -0.55 -0.00 0.00 0.00 179.24 179.16 3cgl h ASN 78 N 0.00 0.00 -3.55 4.15 -0.00 -2.02 -3.43 115.58 110.72 3cgl h ASN 78 Ca -0.00 -0.02 -0.67 0.00 -0.00 0.00 0.00 56.30 55.61 3cgl h ASN 78 Cb 0.03 0.00 -0.27 0.00 -0.00 0.00 0.00 38.32 38.09 3cgl h ASN 78 CO 0.00 0.01 -0.66 -0.63 -0.00 0.00 0.00 177.43 176.15 3cgl s ILE 79 N -3.13 3.75 0.12 6.14 1.01 -0.93 -4.99 121.20 123.17 3cgl s ILE 79 Ca 0.09 -0.62 -0.33 0.00 0.00 0.00 0.00 60.65 59.80 3cgl s ILE 79 Cb 0.11 -2.86 -0.12 0.00 0.01 0.00 0.00 42.46 39.60 3cgl s ILE 79 CO 0.62 0.21 1.75 0.00 0.00 0.00 0.00 174.94 177.52 3cgl n HIS 80 N 4.83 2.51 -2.88 3.97 -0.00 -1.26 -4.68 115.22 117.71 3cgl n HIS 80 Ca -0.16 0.03 -0.44 0.00 -0.00 0.00 0.00 57.72 57.15 3cgl n HIS 80 Cb 0.49 -2.66 -0.01 0.00 -0.00 0.00 0.00 29.99 27.81 3cgl n HIS 80 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.34 176.68 3cgl s ASP 81 N 2.07 6.82 0.21 4.39 3.68 -1.26 -4.37 116.67 128.21 3cgl s ASP 81 Ca 0.81 -2.43 -0.10 0.00 2.13 0.00 0.00 52.55 52.97 3cgl s ASP 81 Cb -0.57 -2.43 0.25 0.00 -1.45 0.00 0.00 42.92 38.72 3cgl s ASP 81 CO 0.38 -0.98 1.77 0.22 0.13 0.00 0.00 175.17 176.70 3cgl h TYR 82 N 8.11 0.50 0.05 -5.34 3.20 -1.90 -2.23 116.97 119.36 3cgl h TYR 82 Ca 0.25 0.03 -0.20 0.00 3.14 0.00 0.00 58.73 61.95 3cgl h TYR 82 Cb 0.95 -0.13 0.02 0.00 1.54 0.00 0.00 36.73 39.10 3cgl h TYR 82 CO 1.17 0.19 -0.82 -0.07 -1.64 0.00 0.00 178.16 176.99 3cgl h LEU 83 N 0.51 0.64 -0.87 2.82 3.38 -1.89 -2.55 115.31 117.35 3cgl h LEU 83 Ca 0.30 -0.81 -0.03 0.00 0.09 0.00 0.00 57.88 57.43 3cgl h LEU 83 Cb 0.30 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.81 3cgl h LEU 83 CO -0.25 1.37 0.42 0.11 0.09 0.00 0.00 178.44 180.18 3cgl h LYS 84 N -0.02 1.24 -0.00 1.13 6.56 -1.86 -2.81 116.57 120.81 3cgl h LYS 84 Ca -0.12 -0.18 0.00 0.00 -1.06 0.00 0.00 60.65 59.30 3cgl h LYS 84 Cb 1.54 -0.22 0.00 0.00 -0.57 0.00 0.00 32.23 32.97 3cgl h LYS 84 CO 0.16 0.94 -0.00 1.28 -2.06 0.00 0.00 179.45 179.77 3cgl n LEU 85 N -4.31 0.01 0.14 2.94 4.32 -0.84 -3.00 117.00 116.27 3cgl n LEU 85 Ca 0.09 0.32 0.13 0.00 -0.02 0.00 0.00 56.01 56.52 3cgl n LEU 85 Cb 0.14 -0.32 0.41 0.00 -1.62 0.00 0.00 43.42 42.03 3cgl n LEU 85 CO 0.40 0.00 0.88 0.77 -1.22 0.00 0.00 177.39 178.22 3cgl h SER 86 N 0.01 0.00 -3.69 -1.43 4.64 -1.17 -3.45 113.55 108.46 3cgl h SER 86 Ca 0.00 0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 60.82 3cgl h SER 86 Cb 0.33 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.42 3cgl h SER 86 CO 0.00 0.00 0.12 -0.36 -0.87 0.00 0.00 176.83 175.72 3cgl s PHE 87 N -3.22 3.48 -0.10 4.77 0.08 -1.16 -1.26 117.98 120.57 3cgl s PHE 87 Ca 0.08 1.03 0.30 0.00 0.12 0.00 0.00 56.93 58.45 3cgl s PHE 87 Cb 0.10 -2.43 0.98 0.00 -0.57 0.00 0.00 43.02 41.10 3cgl s PHE 87 CO 0.55 -0.12 1.84 -1.00 -0.10 0.00 0.00 175.22 176.40 3cgl h PRO 88 N 1.19 0.00 -0.29 0.24 0.13 -1.89 -3.46 132.00 127.93 3cgl h PRO 88 Ca -0.47 0.00 0.07 0.00 -0.87 0.00 0.00 66.00 64.73 3cgl h PRO 88 Cb 1.19 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.25 3cgl h PRO 88 CO 0.64 0.01 -0.19 0.93 -0.23 0.00 0.00 178.00 179.15 3cgl h GLU 89 N 0.00 -0.16 0.00 0.86 3.07 -1.92 -3.39 114.58 113.04 3cgl h GLU 89 Ca -0.00 0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.87 3cgl h GLU 89 Cb 0.70 0.04 0.00 0.00 -0.84 0.00 0.00 28.75 28.64 3cgl h GLU 89 CO 0.00 -0.10 0.00 0.41 -1.40 0.00 0.00 179.01 177.92 3cgl n GLY 90 N -1.35 -0.93 3.75 -3.84 0.00 -0.39 -4.75 105.19 97.68 3cgl n GLY 90 Ca 0.00 -2.15 -0.08 0.00 0.00 0.00 0.00 46.02 43.79 3cgl n GLY 90 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3cgl s TYR 91 N 0.00 0.10 0.12 1.61 -0.85 -1.11 -1.44 117.35 115.79 3cgl s TYR 91 Ca 0.00 -0.55 0.08 0.00 -0.52 0.00 0.00 57.07 56.07 3cgl s TYR 91 Cb 0.00 0.53 -0.04 0.00 0.38 0.00 0.00 41.96 42.83 3cgl s TYR 91 CO 0.00 -1.21 -0.19 0.95 -1.52 0.00 0.00 175.55 173.58 3cgl s THR 92 N -3.64 1.65 0.08 -3.49 -4.23 0.11 -1.13 115.64 104.99 3cgl s THR 92 Ca 0.16 -1.67 0.07 0.00 -1.18 0.00 0.00 61.69 59.07 3cgl s THR 92 Cb -0.04 -1.61 -0.03 0.00 1.34 0.00 0.00 72.50 72.16 3cgl s THR 92 CO 0.09 -0.20 -0.19 -1.66 -0.54 0.00 0.00 174.62 172.12 3cgl s TRP 93 N -1.59 1.62 -0.10 3.99 1.48 -0.11 -0.13 118.94 124.10 3cgl s TRP 93 Ca 0.09 -0.41 0.04 0.00 -1.06 0.00 0.00 56.10 54.76 3cgl s TRP 93 Cb -0.08 -0.91 -0.00 0.00 -1.16 0.00 0.00 33.47 31.32 3cgl s TRP 93 CO 0.05 0.14 -0.23 -2.00 -4.06 0.00 0.00 176.95 170.84 3cgl s GLU 94 N -1.67 3.01 -0.03 3.25 2.12 -0.46 -1.31 118.70 123.60 3cgl s GLU 94 Ca 0.04 -0.87 0.03 0.00 0.36 0.00 0.00 54.97 54.54 3cgl s GLU 94 Cb -0.10 -2.30 0.00 0.00 0.26 0.00 0.00 34.13 31.99 3cgl s GLU 94 CO 0.03 0.21 -0.13 0.50 -0.54 0.00 0.00 175.26 175.33 3cgl s ARG 95 N 0.28 1.32 -0.05 4.30 3.52 0.26 0.04 118.95 128.61 3cgl s ARG 95 Ca -0.17 -0.44 0.05 0.00 -0.13 0.00 0.00 55.73 55.04 3cgl s ARG 95 Cb -0.17 -1.18 -0.02 0.00 -1.56 0.00 0.00 34.95 32.01 3cgl s ARG 95 CO 0.08 0.18 -0.20 -1.54 -0.81 0.00 0.00 175.30 173.01 3cgl s SER 96 N 0.11 3.54 -0.27 -2.12 1.04 0.84 0.12 113.70 116.96 3cgl s SER 96 Ca -0.03 -0.36 0.01 0.00 0.48 0.00 0.00 55.95 56.05 3cgl s SER 96 Cb -0.10 -0.78 0.07 0.00 0.10 0.00 0.00 66.02 65.31 3cgl s SER 96 CO 0.01 0.30 -0.01 -0.04 0.98 0.00 0.00 173.24 174.48 3cgl s MET 97 N -0.46 1.45 -0.34 4.02 -1.94 0.12 -0.81 119.30 121.34 3cgl s MET 97 Ca 0.05 -1.18 -0.15 0.00 -1.71 0.00 0.00 55.69 52.70 3cgl s MET 97 Cb -0.12 -2.61 -0.01 0.00 2.01 0.00 0.00 34.83 34.10 3cgl s MET 97 CO 0.01 -0.73 0.37 -1.01 -0.01 0.00 0.00 175.02 173.65 3cgl s HIS 98 N 1.33 3.21 0.33 -0.03 3.76 -0.29 -1.08 115.29 122.52 3cgl s HIS 98 Ca 0.00 -0.01 -0.01 0.00 -0.15 0.00 0.00 55.06 54.89 3cgl s HIS 98 Cb -0.19 -2.68 -0.04 0.00 1.11 0.00 0.00 32.58 30.78 3cgl s HIS 98 CO -0.10 -0.43 0.56 -0.06 -0.85 0.00 0.00 174.74 173.86 3cgl s PHE 99 N 2.04 3.50 0.35 1.40 0.40 0.04 -0.37 117.98 125.33 3cgl s PHE 99 Ca 0.12 0.46 0.30 0.00 -0.60 0.00 0.00 56.93 57.21 3cgl s PHE 99 Cb -0.16 -1.98 1.46 0.00 0.51 0.00 0.00 43.02 42.84 3cgl s PHE 99 CO 0.12 0.12 2.05 1.05 0.70 0.00 0.00 175.22 179.25 3cgl h GLU 100 N 1.02 0.00 -0.65 0.44 4.11 -1.79 -2.79 114.58 114.92 3cgl h GLU 100 Ca -0.49 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.94 3cgl h GLU 100 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 3cgl h GLU 100 CO 0.63 0.11 0.00 -0.40 0.07 0.00 0.00 179.01 179.42 3cgl n ASP 101 N -3.45 4.16 0.00 3.06 3.85 -1.26 -4.92 116.55 117.98 3cgl n ASP 101 Ca -0.01 -2.29 0.00 0.00 -0.71 0.00 0.00 54.79 51.78 3cgl n ASP 101 Cb 0.26 -0.52 0.00 0.00 -1.35 0.00 0.00 41.12 39.51 3cgl n ASP 101 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3cgl n GLY 102 N 1.22 0.56 3.73 6.12 0.00 -1.05 -4.70 105.19 111.06 3cgl n GLY 102 Ca 0.23 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.84 3cgl n GLY 102 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3cgl s GLY 103 N -1.11 2.88 -0.10 -0.02 0.00 -1.24 -4.60 107.32 103.13 3cgl s GLY 103 Ca 0.00 0.44 0.03 0.00 0.00 0.00 0.00 44.72 45.19 3cgl s GLY 103 CO 0.00 1.38 -0.19 -2.27 0.00 0.00 0.00 173.10 172.03 3cgl s LEU 104 N 0.31 1.90 -0.20 0.66 2.96 -0.12 -0.78 118.68 123.41 3cgl s LEU 104 Ca 0.45 -0.48 -0.03 0.00 -0.22 0.00 0.00 54.13 53.85 3cgl s LEU 104 Cb -0.21 -1.20 -0.01 0.00 0.50 0.00 0.00 46.19 45.26 3cgl s LEU 104 CO 0.26 0.08 -0.06 0.00 -1.32 0.00 0.00 176.35 175.31 3cgl s ILE 107 N 0.93 0.44 0.14 0.00 1.09 0.12 -1.39 121.20 122.53 3cgl s ILE 107 Ca 0.05 -0.07 0.10 0.00 -1.10 0.00 0.00 60.65 59.63 3cgl s ILE 107 Cb -0.14 -0.49 -0.04 0.00 -1.06 0.00 0.00 42.46 40.73 3cgl s ILE 107 CO 0.03 0.21 -0.21 0.42 -0.10 0.00 0.00 174.94 175.29 3cgl s THR 108 N 0.95 2.63 -0.09 2.92 -4.23 -0.63 0.90 115.64 118.08 3cgl s THR 108 Ca -0.11 -1.69 -0.04 0.00 -1.18 0.00 0.00 61.69 58.68 3cgl s THR 108 Cb -0.14 -2.22 0.05 0.00 1.34 0.00 0.00 72.50 71.53 3cgl s THR 108 CO -0.00 0.03 0.20 0.21 -0.54 0.00 0.00 174.62 174.52 3cgl s ASN 109 N -2.29 0.20 -0.22 3.99 3.84 -0.43 -0.97 114.94 119.06 3cgl s ASN 109 Ca 0.18 0.43 -0.12 0.00 0.21 0.00 0.00 52.86 53.56 3cgl s ASN 109 Cb -0.10 0.38 -0.05 0.00 -0.55 0.00 0.00 41.25 40.93 3cgl s ASN 109 CO 0.09 -0.20 0.22 -0.62 -2.79 0.00 0.00 177.10 173.80 3cgl s ASP 110 N 1.78 6.22 -0.23 -4.21 -1.08 -0.96 -0.94 116.67 117.26 3cgl s ASP 110 Ca -0.03 0.25 -0.02 0.00 -0.52 0.00 0.00 52.55 52.22 3cgl s ASP 110 Cb -0.12 -2.14 0.02 0.00 -1.46 0.00 0.00 42.92 39.22 3cgl s ASP 110 CO -0.07 0.05 -0.08 -0.63 0.52 0.00 0.00 175.17 174.96 3cgl s ILE 111 N 0.96 2.88 0.32 4.11 1.01 -0.28 -1.29 121.20 128.91 3cgl s ILE 111 Ca 0.11 -0.86 0.09 0.00 0.00 0.00 0.00 60.65 59.99 3cgl s ILE 111 Cb -0.13 -2.38 -0.05 0.00 0.01 0.00 0.00 42.46 39.91 3cgl s ILE 111 CO 0.04 0.32 0.05 -0.94 0.00 0.00 0.00 174.94 174.41 3cgl s SER 112 N 1.36 4.44 -0.19 3.58 1.04 -0.73 -2.75 113.70 120.45 3cgl s SER 112 Ca 0.03 -0.83 -0.04 0.00 0.48 0.00 0.00 55.95 55.59 3cgl s SER 112 Cb -0.15 -0.67 0.06 0.00 0.10 0.00 0.00 66.02 65.35 3cgl s SER 112 CO -0.06 -0.19 0.06 -0.22 0.98 0.00 0.00 173.24 173.81 3cgl s LEU 113 N -3.75 0.85 -0.11 2.42 2.96 -1.26 -0.51 118.68 119.27 3cgl s LEU 113 Ca 0.35 -0.77 0.03 0.00 -0.22 0.00 0.00 54.13 53.52 3cgl s LEU 113 Cb -0.03 -0.45 0.00 0.00 0.50 0.00 0.00 46.19 46.22 3cgl s LEU 113 CO 0.21 -0.33 -0.22 0.42 -1.32 0.00 0.00 176.35 175.10 3cgl s THR 114 N 1.97 1.97 0.00 3.68 -4.23 -1.06 -4.96 115.64 113.02 3cgl s THR 114 Ca 0.01 -0.95 0.00 0.00 -1.18 0.00 0.00 61.69 59.56 3cgl s THR 114 Cb -0.17 -1.72 0.00 0.00 1.34 0.00 0.00 72.50 71.95 3cgl s THR 114 CO -0.10 0.54 0.00 0.61 -0.54 0.00 0.00 174.62 175.13 3cgl n GLY 115 N 3.73 2.11 2.14 3.99 0.00 -1.26 -2.82 105.19 113.09 3cgl n GLY 115 Ca -0.20 -0.54 -0.24 0.00 0.00 0.00 0.00 46.02 45.04 3cgl n GLY 115 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3cgl n ASN 116 N 2.40 4.45 -3.92 1.61 6.94 -1.26 -4.94 115.26 120.54 3cgl n ASN 116 Ca 0.00 -3.67 -0.25 0.00 -0.02 0.00 0.00 54.58 50.64 3cgl n ASN 116 Cb 0.00 -0.84 -0.17 0.00 -2.36 0.00 0.00 39.78 36.41 3cgl n ASN 116 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3cgl s PHE 118 N 1.39 3.85 -0.18 0.00 0.40 0.31 -2.56 117.98 121.19 3cgl s PHE 118 Ca -0.02 1.83 0.00 0.00 -0.60 0.00 0.00 56.93 58.15 3cgl s PHE 118 Cb -0.14 -3.08 0.01 0.00 0.51 0.00 0.00 43.02 40.33 3cgl s PHE 118 CO -0.04 0.12 -0.18 0.71 0.70 0.00 0.00 175.22 176.54 3cgl s TYR 119 N -0.99 2.79 -0.11 0.36 1.51 0.33 -0.93 117.35 120.31 3cgl s TYR 119 Ca 0.43 -1.45 -0.09 0.00 -1.01 0.00 0.00 57.07 54.95 3cgl s TYR 119 Cb -0.27 -1.93 -0.04 0.00 -0.11 0.00 0.00 41.96 39.60 3cgl s TYR 119 CO 0.34 -0.71 0.20 0.71 -1.11 0.00 0.00 175.55 174.98 3cgl s TYR 120 N 1.21 3.59 -0.54 2.71 4.12 -0.43 -1.77 117.35 126.24 3cgl s TYR 120 Ca 0.02 0.60 0.04 0.00 0.02 0.00 0.00 57.07 57.75 3cgl s TYR 120 Cb -0.14 -2.06 0.14 0.00 -1.52 0.00 0.00 41.96 38.38 3cgl s TYR 120 CO -0.09 0.63 0.31 0.34 0.02 0.00 0.00 175.55 176.76 3cgl s ASP 121 N -0.77 4.19 -0.17 2.29 3.68 -0.41 -2.61 116.67 122.87 3cgl s ASP 121 Ca 0.16 -3.11 -0.12 0.00 2.13 0.00 0.00 52.55 51.61 3cgl s ASP 121 Cb -0.13 -1.47 -0.05 0.00 -1.45 0.00 0.00 42.92 39.82 3cgl s ASP 121 CO 0.05 -0.21 0.23 -0.63 0.13 0.00 0.00 175.17 174.74 3cgl s ILE 122 N -0.39 5.35 -0.12 4.11 1.01 -0.41 -2.26 121.20 128.50 3cgl s ILE 122 Ca 0.19 0.41 0.00 0.00 0.00 0.00 0.00 60.65 61.25 3cgl s ILE 122 Cb -0.20 -3.57 -0.02 0.00 0.01 0.00 0.00 42.46 38.68 3cgl s ILE 122 CO -0.04 0.41 -0.12 -0.54 0.00 0.00 0.00 174.94 174.65 3cgl s LYS 123 N 0.41 3.25 -0.01 2.79 1.02 -0.14 -1.90 119.74 125.16 3cgl s LYS 123 Ca 0.13 -0.66 0.06 0.00 0.02 0.00 0.00 55.97 55.52 3cgl s LYS 123 Cb -0.12 -2.62 -0.01 0.00 -0.52 0.00 0.00 37.83 34.55 3cgl s LYS 123 CO 0.02 0.30 -0.19 0.12 -0.92 0.00 0.00 175.35 174.68 3cgl s PHE 124 N 0.12 1.69 -0.07 3.18 5.36 0.42 -1.61 117.98 127.08 3cgl s PHE 124 Ca -0.06 -0.32 -0.03 0.00 -0.96 0.00 0.00 56.93 55.56 3cgl s PHE 124 Cb -0.15 -1.08 0.04 0.00 -0.34 0.00 0.00 43.02 41.49 3cgl s PHE 124 CO 0.04 -0.02 0.14 0.99 -1.46 0.00 0.00 175.22 174.92 3cgl s THR 125 N -0.46 -0.08 -0.29 0.12 2.01 -0.49 -2.01 115.64 114.44 3cgl s THR 125 Ca 0.07 0.21 -0.00 0.00 0.31 0.00 0.00 61.69 62.28 3cgl s THR 125 Cb -0.07 -0.24 0.09 0.00 0.01 0.00 0.00 72.50 72.28 3cgl s THR 125 CO -0.01 0.09 0.07 -0.83 -0.69 0.00 0.00 174.62 173.25 3cgl s GLY 126 N 1.36 1.16 0.19 4.40 0.00 0.69 -0.94 107.32 114.17 3cgl s GLY 126 Ca -0.07 -1.62 0.11 0.00 0.00 0.00 0.00 44.72 43.14 3cgl s GLY 126 CO -0.06 1.43 -0.21 0.48 0.00 0.00 0.00 173.10 174.74 3cgl s LEU 127 N 1.53 2.57 -0.68 0.66 -0.00 -0.00 -4.07 118.68 118.68 3cgl s LEU 127 Ca 0.07 -0.79 0.00 0.00 -0.00 0.00 0.00 54.13 53.41 3cgl s LEU 127 Cb -0.18 -1.30 0.00 0.00 -0.00 0.00 0.00 46.19 44.72 3cgl s LEU 127 CO -0.19 0.12 0.00 -3.20 -0.00 0.00 0.00 176.35 173.08 3cgl n ASN 128 N 0.24 -4.02 -4.68 1.48 2.85 -1.26 -0.94 115.26 108.93 3cgl n ASN 128 Ca -0.12 0.16 -0.42 0.00 -0.11 0.00 0.00 54.58 54.08 3cgl n ASN 128 Cb 0.56 -2.09 -0.03 0.00 1.24 0.00 0.00 39.78 39.47 3cgl n ASN 128 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 3cgl s PHE 129 N -2.15 3.20 0.44 1.20 0.08 -1.26 -3.71 117.98 115.78 3cgl s PHE 129 Ca 0.00 1.27 -0.24 0.00 0.12 0.00 0.00 56.93 58.08 3cgl s PHE 129 Cb 0.00 -3.38 -0.08 0.00 -0.57 0.00 0.00 43.02 38.99 3cgl s PHE 129 CO 0.00 -1.11 1.16 -1.25 -0.10 0.00 0.00 175.22 173.92 3cgl s PRO 130 N 2.46 3.85 0.09 0.24 0.04 -1.26 -4.98 135.00 135.44 3cgl s PRO 130 Ca 0.53 1.77 -0.26 0.00 0.04 0.00 0.00 61.00 63.09 3cgl s PRO 130 Cb -0.22 -2.48 -0.14 0.00 0.04 0.00 0.00 34.50 31.70 3cgl s PRO 130 CO 0.19 -0.47 1.69 -1.00 0.04 0.00 0.00 177.00 177.45 3cgl h PRO 131 N 2.21 -0.28 -1.86 0.56 0.13 -2.00 -3.10 132.00 127.66 3cgl h PRO 131 Ca -0.49 0.02 -0.48 0.00 -0.87 0.00 0.00 66.00 64.17 3cgl h PRO 131 Cb 1.24 0.06 -0.18 0.00 0.13 0.00 0.00 31.00 32.26 3cgl h PRO 131 CO 0.61 -0.19 0.45 0.27 -0.23 0.00 0.00 178.00 178.91 3cgl n ASN 132 N -5.24 6.58 -4.45 1.44 6.94 -1.26 -4.38 115.26 114.88 3cgl n ASN 132 Ca -0.08 -3.23 -0.24 0.00 -0.02 0.00 0.00 54.58 51.00 3cgl n ASN 132 Cb 0.16 -1.18 -0.10 0.00 -2.36 0.00 0.00 39.78 36.30 3cgl n ASN 132 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 3cgl s GLY 133 N 0.16 1.81 0.56 4.83 0.00 -1.17 -5.00 107.32 108.51 3cgl s GLY 133 Ca 0.53 -1.80 0.27 0.00 0.00 0.00 0.00 44.72 43.72 3cgl s GLY 133 CO -0.18 -1.88 2.00 -0.56 0.00 0.00 0.00 173.10 172.48 3cgl h PRO 134 N 2.52 0.00 -0.00 2.90 0.13 -1.91 0.14 132.00 135.77 3cgl h PRO 134 Ca -0.41 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.69 3cgl h PRO 134 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 3cgl h PRO 134 CO 0.57 0.00 -0.09 -0.39 -0.23 0.00 0.00 178.00 177.86 3cgl h VAL 135 N 0.00 1.61 -0.21 1.56 -1.51 -1.96 0.38 116.25 116.12 3cgl h VAL 135 Ca 0.20 -1.90 -0.09 0.00 -1.23 0.00 0.00 66.70 63.68 3cgl h VAL 135 Cb 0.91 2.86 -0.00 0.00 -2.13 0.00 0.00 31.29 32.93 3cgl h VAL 135 CO -0.00 0.50 -0.22 0.58 -1.23 0.00 0.00 177.57 177.20 3cgl h VAL 136 N -0.69 1.33 0.00 7.19 2.07 -1.72 -0.58 116.25 123.84 3cgl h VAL 136 Ca -0.01 -1.39 0.00 0.00 0.82 0.00 0.00 66.70 66.12 3cgl h VAL 136 Cb 0.87 1.76 0.00 0.00 -1.52 0.00 0.00 31.29 32.40 3cgl h VAL 136 CO 0.02 0.43 0.00 0.00 0.02 0.00 0.00 177.57 178.03 3cgl n GLN 137 N -4.42 0.01 -3.03 1.57 1.13 0.00 -4.50 117.38 108.15 3cgl n GLN 137 Ca -0.05 0.23 -0.12 0.00 -1.94 0.00 0.00 57.00 55.11 3cgl n GLN 137 Cb 0.42 -1.50 0.06 0.00 0.11 0.00 0.00 30.24 29.33 3cgl n GLN 137 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 3cgl n LYS 138 N -1.49 -4.74 -0.00 -1.09 4.76 -0.98 -4.96 118.16 109.65 3cgl n LYS 138 Ca 0.04 0.62 0.08 0.00 -2.87 0.00 0.00 58.31 56.18 3cgl n LYS 138 Cb 0.18 -4.94 -0.10 0.00 -1.84 0.00 0.00 35.03 28.34 3cgl n LYS 138 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 3cgl n LYS 139 N -3.26 1.23 -2.04 1.97 4.76 0.09 -4.97 118.16 115.94 3cgl n LYS 139 Ca -0.21 -0.02 -0.41 0.00 -2.87 0.00 0.00 58.31 54.81 3cgl n LYS 139 Cb 0.62 -1.32 -0.02 0.00 -1.84 0.00 0.00 35.03 32.46 3cgl n LYS 139 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 3cgl s THR 140 N -2.69 2.70 -0.48 -0.18 -4.23 -1.23 -0.89 115.64 108.64 3cgl s THR 140 Ca 0.05 0.60 0.08 0.00 -1.18 0.00 0.00 61.69 61.25 3cgl s THR 140 Cb 0.13 -3.38 -0.07 0.00 1.34 0.00 0.00 72.50 70.52 3cgl s THR 140 CO 0.71 0.10 0.40 0.35 -0.54 0.00 0.00 174.62 175.65 3cgl n THR 141 N 2.09 0.00 -2.98 3.99 -2.24 0.13 -4.84 114.28 110.42 3cgl n THR 141 Ca 0.06 -0.33 0.00 0.00 -2.27 0.00 0.00 64.05 61.50 3cgl n THR 141 Cb 0.41 1.02 0.00 0.00 -2.10 0.00 0.00 70.33 69.66 3cgl n THR 141 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3cgl n GLY 142 N 1.11 -0.85 3.47 3.38 0.00 -1.24 -4.94 105.19 106.11 3cgl n GLY 142 Ca 0.02 -1.39 -0.33 0.00 0.00 0.00 0.00 46.02 44.32 3cgl n GLY 142 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3cgl s TRP 143 N -2.74 2.86 0.58 1.61 0.52 -1.26 -0.43 118.94 120.07 3cgl s TRP 143 Ca 0.00 -0.30 -0.20 0.00 0.02 0.00 0.00 56.10 55.62 3cgl s TRP 143 Cb 0.00 -1.78 -0.04 0.00 -1.15 0.00 0.00 33.47 30.50 3cgl s TRP 143 CO 0.00 0.05 1.26 -1.21 0.02 0.00 0.00 176.95 177.07 3cgl s GLU 144 N -0.18 3.01 0.65 4.98 0.41 -1.09 -4.73 118.70 121.74 3cgl s GLU 144 Ca 0.01 1.98 -0.17 0.00 -0.41 0.00 0.00 54.97 56.38 3cgl s GLU 144 Cb -0.13 -2.04 -0.03 0.00 -1.78 0.00 0.00 34.13 30.14 3cgl s GLU 144 CO 0.03 -1.22 0.86 -0.35 -0.49 0.00 0.00 175.26 174.09 3cgl n PRO 145 N -1.40 0.65 -4.33 0.39 -0.04 -1.26 -4.80 135.00 124.21 3cgl n PRO 145 Ca 0.13 0.26 -0.17 0.00 -0.04 0.00 0.00 63.50 63.68 3cgl n PRO 145 Cb 0.48 -2.09 -0.10 0.00 -0.04 0.00 0.00 33.50 31.75 3cgl n PRO 145 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 3cgl s SER 146 N -1.40 2.05 -0.10 3.54 1.04 0.12 -4.95 113.70 114.01 3cgl s SER 146 Ca 0.73 -1.15 -0.01 0.00 0.48 0.00 0.00 55.95 56.00 3cgl s SER 146 Cb -0.39 -0.04 0.03 0.00 0.10 0.00 0.00 66.02 65.73 3cgl s SER 146 CO 0.50 -0.41 -0.02 -0.89 0.98 0.00 0.00 173.24 173.39 3cgl s THR 147 N -3.29 0.63 -0.18 2.02 2.01 -1.26 -0.84 115.64 114.73 3cgl s THR 147 Ca 0.25 -0.11 -0.10 0.00 0.31 0.00 0.00 61.69 62.04 3cgl s THR 147 Cb 0.04 -0.78 -0.05 0.00 0.01 0.00 0.00 72.50 71.72 3cgl s THR 147 CO 0.07 0.24 0.16 -0.70 -0.69 0.00 0.00 174.62 173.70 3cgl s GLU 148 N 1.86 4.08 -0.24 4.92 2.12 0.41 -4.40 118.70 127.46 3cgl s GLU 148 Ca 0.04 -0.15 -0.12 0.00 0.36 0.00 0.00 54.97 55.10 3cgl s GLU 148 Cb -0.13 -3.38 -0.05 0.00 0.26 0.00 0.00 34.13 30.83 3cgl s GLU 148 CO -0.07 0.37 0.21 0.50 -0.54 0.00 0.00 175.26 175.74 3cgl s ARG 149 N 0.13 4.08 0.05 4.30 3.00 -0.31 -0.94 118.95 129.26 3cgl s ARG 149 Ca 0.11 -0.18 0.09 0.00 -1.00 0.00 0.00 55.73 54.74 3cgl s ARG 149 Cb -0.12 -3.55 -0.03 0.00 0.00 0.00 0.00 34.95 31.25 3cgl s ARG 149 CO -0.00 0.02 -0.24 -0.51 0.00 0.00 0.00 175.30 174.57 3cgl s LEU 150 N 1.18 2.33 -0.02 -0.88 1.02 0.83 -1.61 118.68 121.53 3cgl s LEU 150 Ca 0.10 -0.55 -0.10 0.00 0.02 0.00 0.00 54.13 53.60 3cgl s LEU 150 Cb -0.14 -1.36 0.01 0.00 0.02 0.00 0.00 46.19 44.72 3cgl s LEU 150 CO 0.06 0.25 0.23 -0.72 0.02 0.00 0.00 176.35 176.18 3cgl s TYR 151 N -0.87 -0.11 0.38 0.29 1.13 -0.48 -1.90 117.35 115.79 3cgl s TYR 151 Ca 0.13 0.18 -0.24 0.00 -1.41 0.00 0.00 57.07 55.74 3cgl s TYR 151 Cb -0.10 0.04 -0.10 0.00 -1.10 0.00 0.00 41.96 40.69 3cgl s TYR 151 CO 0.03 -0.29 0.96 -1.25 -2.51 0.00 0.00 175.55 172.49 3cgl s PRO 152 N -1.04 4.38 -0.28 -3.49 0.04 -1.26 -1.27 135.00 132.07 3cgl s PRO 152 Ca -0.11 1.25 -0.02 0.00 0.04 0.00 0.00 61.00 62.16 3cgl s PRO 152 Cb -0.05 -2.49 0.17 0.00 0.04 0.00 0.00 34.50 32.16 3cgl s PRO 152 CO 0.02 0.09 0.54 0.50 0.04 0.00 0.00 177.00 178.19 3cgl s ARG 153 N -2.61 0.50 -1.33 4.56 6.06 0.59 -4.92 118.95 121.80 3cgl s ARG 153 Ca 0.56 0.91 -0.06 0.00 -2.50 0.00 0.00 55.73 54.64 3cgl s ARG 153 Cb -0.15 0.28 0.01 0.00 0.06 0.00 0.00 34.95 35.16 3cgl s ARG 153 CO 0.19 -0.59 1.07 -0.25 -2.50 0.00 0.00 175.30 173.22 3cgl n ASP 154 N 5.41 -4.45 0.00 -2.12 8.00 -1.26 -2.01 116.55 120.13 3cgl n ASP 154 Ca -0.03 -0.61 0.00 0.00 0.71 0.00 0.00 54.79 54.86 3cgl n ASP 154 Cb 0.51 -4.86 0.00 0.00 -0.02 0.00 0.00 41.12 36.74 3cgl n ASP 154 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3cgl n GLY 155 N -1.67 0.68 3.53 0.44 0.00 -1.26 -5.00 105.19 101.91 3cgl n GLY 155 Ca -0.10 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.68 3cgl n GLY 155 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3cgl s VAL 156 N -3.01 2.85 -0.21 1.61 -7.23 -0.85 -4.71 120.40 108.86 3cgl s VAL 156 Ca 0.00 -2.18 -0.10 0.00 -1.81 0.00 0.00 61.98 57.89 3cgl s VAL 156 Cb 0.00 -2.50 -0.05 0.00 0.56 0.00 0.00 36.38 34.39 3cgl s VAL 156 CO 0.00 -0.37 0.13 -0.22 -0.31 0.00 0.00 175.10 174.33 3cgl s LEU 157 N -3.50 4.13 -0.19 1.32 2.96 -0.59 -0.30 118.68 122.50 3cgl s LEU 157 Ca 0.30 0.18 -0.05 0.00 -0.22 0.00 0.00 54.13 54.34 3cgl s LEU 157 Cb -0.06 -2.08 -0.02 0.00 0.50 0.00 0.00 46.19 44.53 3cgl s LEU 157 CO 0.17 0.15 -0.01 -0.63 -1.32 0.00 0.00 176.35 174.70 3cgl s ILE 158 N 0.54 3.87 -0.06 6.68 -1.09 -0.40 -0.50 121.20 130.25 3cgl s ILE 158 Ca 0.07 -0.34 0.05 0.00 -2.23 0.00 0.00 60.65 58.19 3cgl s ILE 158 Cb -0.12 -2.74 -0.00 0.00 -1.58 0.00 0.00 42.46 38.02 3cgl s ILE 158 CO -0.00 0.44 -0.20 -0.83 -1.23 0.00 0.00 174.94 173.12 3cgl s GLY 159 N 0.90 1.09 -0.03 6.18 0.00 0.94 -1.38 107.32 115.01 3cgl s GLY 159 Ca 0.01 -0.81 0.05 0.00 0.00 0.00 0.00 44.72 43.96 3cgl s GLY 159 CO 0.02 -0.39 -0.17 0.99 0.00 0.00 0.00 173.10 173.55 3cgl s ASP 160 N 0.09 2.08 -0.04 1.64 1.01 -0.64 0.15 116.67 120.96 3cgl s ASP 160 Ca -0.07 -0.33 0.05 0.00 0.71 0.00 0.00 52.55 52.90 3cgl s ASP 160 Cb -0.14 -0.47 -0.00 0.00 1.01 0.00 0.00 42.92 43.32 3cgl s ASP 160 CO 0.04 0.17 -0.18 -0.63 0.21 0.00 0.00 175.17 174.78 3cgl s ILE 161 N -0.09 1.46 -0.46 0.77 1.01 0.72 -1.17 121.20 123.44 3cgl s ILE 161 Ca -0.01 -0.74 -0.18 0.00 0.00 0.00 0.00 60.65 59.73 3cgl s ILE 161 Cb -0.10 -1.25 0.04 0.00 0.01 0.00 0.00 42.46 41.17 3cgl s ILE 161 CO 0.01 0.42 0.49 -1.00 0.00 0.00 0.00 174.94 174.86 3cgl s HIS 162 N -0.03 3.14 0.48 3.97 3.76 -1.26 -0.73 115.29 124.62 3cgl s HIS 162 Ca -0.02 -0.55 0.03 0.00 -0.15 0.00 0.00 55.06 54.37 3cgl s HIS 162 Cb -0.11 -3.17 -0.03 0.00 1.11 0.00 0.00 32.58 30.38 3cgl s HIS 162 CO 0.02 -0.83 0.01 -1.58 -0.85 0.00 0.00 174.74 171.50 3cgl s HIS 163 N 2.20 2.01 -0.27 1.40 5.04 0.99 -4.76 115.29 121.91 3cgl s HIS 163 Ca 0.11 -0.90 -0.24 0.00 -1.54 0.00 0.00 55.06 52.49 3cgl s HIS 163 Cb -0.19 -1.63 0.07 0.00 0.04 0.00 0.00 32.58 30.86 3cgl s HIS 163 CO 0.12 0.26 0.71 0.00 -2.34 0.00 0.00 174.74 173.49 3cgl s ALA 164 N -2.85 -1.76 0.06 1.58 0.00 -1.26 -1.20 121.76 116.32 3cgl s ALA 164 Ca 0.13 2.04 -0.19 0.00 0.00 0.00 0.00 51.96 53.93 3cgl s ALA 164 Cb 0.04 -1.18 -0.06 0.00 0.00 0.00 0.00 23.12 21.91 3cgl s ALA 164 CO 0.07 -0.34 0.56 -0.51 0.00 0.00 0.00 175.76 175.54 3cgl s LEU 165 N 0.49 4.51 0.38 0.00 1.43 -0.45 -2.69 118.68 122.36 3cgl s LEU 165 Ca -0.01 1.23 -0.24 0.00 -1.03 0.00 0.00 54.13 54.08 3cgl s LEU 165 Cb -0.05 -2.88 -0.09 0.00 0.03 0.00 0.00 46.19 43.19 3cgl s LEU 165 CO -0.01 0.25 1.02 0.42 0.23 0.00 0.00 176.35 178.27 3cgl s THR 166 N -0.96 3.85 0.08 5.49 -4.23 0.42 -0.18 115.64 120.11 3cgl s THR 166 Ca 0.29 1.44 0.10 0.00 -1.18 0.00 0.00 61.69 62.33 3cgl s THR 166 Cb -0.19 -3.75 -0.03 0.00 1.34 0.00 0.00 72.50 69.86 3cgl s THR 166 CO 0.18 0.03 -0.26 -0.69 -0.54 0.00 0.00 174.62 173.34 3cgl s VAL 167 N -1.66 2.24 0.38 2.29 1.01 -0.89 0.20 120.40 123.97 3cgl s VAL 167 Ca 0.56 -1.51 0.18 0.00 0.00 0.00 0.00 61.98 61.20 3cgl s VAL 167 Cb -0.21 -1.92 0.38 0.00 0.00 0.00 0.00 36.38 34.63 3cgl s VAL 167 CO 0.26 0.26 1.74 -0.33 0.00 0.00 0.00 175.10 177.03 3cgl h GLU 168 N 4.43 0.38 0.00 2.72 3.07 -1.34 0.11 114.58 123.94 3cgl h GLU 168 Ca -0.48 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.36 3cgl h GLU 168 Cb 1.15 -0.08 0.00 0.00 -0.84 0.00 0.00 28.75 28.98 3cgl h GLU 168 CO 0.42 0.25 0.00 0.41 -1.40 0.00 0.00 179.01 178.69 3cgl n GLY 169 N -1.44 -0.69 1.33 -3.84 0.00 -1.26 -4.83 105.19 94.47 3cgl n GLY 169 Ca 0.27 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.20 3cgl n GLY 169 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cgl n GLY 170 N 0.32 1.29 0.55 -0.02 0.00 0.37 -5.05 105.19 102.64 3cgl n GLY 170 Ca 0.11 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.09 3cgl n GLY 170 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cgl n GLY 171 N -2.00 -1.52 3.22 -0.02 0.00 -1.24 -4.79 105.19 98.84 3cgl n GLY 171 Ca 0.00 -1.62 -0.22 0.00 0.00 0.00 0.00 46.02 44.18 3cgl n GLY 171 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3cgl s HIS 172 N -1.39 1.54 -0.48 1.61 0.09 -1.26 -2.10 115.29 113.30 3cgl s HIS 172 Ca 0.11 -0.39 0.01 0.00 -0.00 0.00 0.00 55.06 54.78 3cgl s HIS 172 Cb -0.00 -0.89 0.13 0.00 -0.00 0.00 0.00 32.58 31.81 3cgl s HIS 172 CO 0.08 0.10 0.25 -0.47 -0.00 0.00 0.00 174.74 174.70 3cgl s TYR 173 N -0.99 3.47 0.70 1.40 6.04 0.74 -4.93 117.35 123.78 3cgl s TYR 173 Ca 0.04 -2.84 -0.15 0.00 0.04 0.00 0.00 57.07 54.16 3cgl s TYR 173 Cb -0.09 -3.04 0.02 0.00 -1.04 0.00 0.00 41.96 37.81 3cgl s TYR 173 CO 0.02 -0.87 1.16 0.00 -1.54 0.00 0.00 175.55 174.32 3cgl s ALA 174 N 0.37 2.28 -0.23 3.97 0.00 -1.26 -1.34 121.76 125.55 3cgl s ALA 174 Ca 0.14 0.72 -0.11 0.00 0.00 0.00 0.00 51.96 52.70 3cgl s ALA 174 Cb -0.22 -3.40 0.08 0.00 0.00 0.00 0.00 23.12 19.59 3cgl s ALA 174 CO -0.04 -1.60 0.55 0.00 0.00 0.00 0.00 175.76 174.67 3cgl s ASP 176 N 1.98 5.85 -0.19 0.00 3.68 0.50 -0.01 116.67 128.48 3cgl s ASP 176 Ca -0.08 -1.06 -0.06 0.00 2.13 0.00 0.00 52.55 53.48 3cgl s ASP 176 Cb -0.09 -2.06 -0.03 0.00 -1.45 0.00 0.00 42.92 39.29 3cgl s ASP 176 CO -0.16 -0.44 0.04 -0.63 0.13 0.00 0.00 175.17 174.10 3cgl s ILE 177 N 1.57 4.43 -0.12 4.11 1.01 0.09 -1.14 121.20 131.16 3cgl s ILE 177 Ca 0.03 -0.16 0.02 0.00 0.00 0.00 0.00 60.65 60.55 3cgl s ILE 177 Cb -0.20 -3.00 -0.00 0.00 0.01 0.00 0.00 42.46 39.27 3cgl s ILE 177 CO 0.07 0.44 -0.20 -0.75 0.00 0.00 0.00 174.94 174.50 3cgl s LYS 178 N 0.64 3.15 -0.06 2.79 2.20 0.01 -0.20 119.74 128.26 3cgl s LYS 178 Ca 0.02 -0.82 0.03 0.00 -0.36 0.00 0.00 55.97 54.84 3cgl s LYS 178 Cb -0.13 -2.43 0.00 0.00 -1.51 0.00 0.00 37.83 33.76 3cgl s LYS 178 CO 0.02 0.15 -0.15 0.99 -0.36 0.00 0.00 175.35 176.00 3cgl s THR 179 N 0.44 1.33 -0.27 3.43 2.01 0.12 -0.11 115.64 122.60 3cgl s THR 179 Ca -0.14 -0.62 -0.04 0.00 0.31 0.00 0.00 61.69 61.19 3cgl s THR 179 Cb -0.17 -1.18 0.01 0.00 0.01 0.00 0.00 72.50 71.18 3cgl s THR 179 CO 0.06 0.39 0.01 -0.69 -0.69 0.00 0.00 174.62 173.71 3cgl s VAL 180 N 0.36 3.48 -0.24 3.82 1.01 0.11 -0.04 120.40 128.90 3cgl s VAL 180 Ca -0.10 -0.81 -0.15 0.00 0.00 0.00 0.00 61.98 60.92 3cgl s VAL 180 Cb -0.14 -2.77 -0.04 0.00 0.00 0.00 0.00 36.38 33.43 3cgl s VAL 180 CO 0.04 0.16 0.35 -0.31 0.00 0.00 0.00 175.10 175.33 3cgl s TYR 181 N 1.43 3.31 -0.26 5.22 1.51 0.35 -1.36 117.35 127.55 3cgl s TYR 181 Ca 0.02 0.46 0.03 0.00 -1.01 0.00 0.00 57.07 56.57 3cgl s TYR 181 Cb -0.17 -2.50 0.06 0.00 -0.11 0.00 0.00 41.96 39.24 3cgl s TYR 181 CO -0.01 -0.09 -0.11 1.03 -1.11 0.00 0.00 175.55 175.26 3cgl s ARG 182 N 1.59 2.24 0.30 -0.62 0.52 0.81 -1.54 118.95 122.25 3cgl s ARG 182 Ca 0.15 -1.35 -0.30 0.00 -0.52 0.00 0.00 55.73 53.71 3cgl s ARG 182 Cb -0.15 -2.90 -0.11 0.00 0.52 0.00 0.00 34.95 32.31 3cgl s ARG 182 CO 0.08 -0.57 1.56 0.00 0.02 0.00 0.00 175.30 176.39 3cgl s ALA 183 N 1.10 3.71 0.16 2.13 0.00 -1.26 -0.71 121.76 126.89 3cgl s ALA 183 Ca -0.09 1.54 -0.12 0.00 0.00 0.00 0.00 51.96 53.29 3cgl s ALA 183 Cb -0.20 -3.63 0.05 0.00 0.00 0.00 0.00 23.12 19.34 3cgl s ALA 183 CO -0.05 -0.96 1.67 0.87 0.00 0.00 0.00 175.76 177.29 3cgl h LYS 184 N 4.67 0.88 -6.06 0.00 1.57 -1.56 -3.42 116.57 112.65 3cgl h LYS 184 Ca -0.47 -0.21 -0.67 0.00 -1.87 0.00 0.00 60.65 57.43 3cgl h LYS 184 Cb 1.22 -0.12 -0.13 0.00 0.08 0.00 0.00 32.23 33.29 3cgl h LYS 184 CO 0.77 0.83 -0.62 0.15 -0.57 0.00 0.00 179.45 180.02 3cgl s LYS 185 N -5.30 2.92 0.52 3.15 1.02 -1.26 -5.07 119.74 115.71 3cgl s LYS 185 Ca -0.13 -0.52 -0.22 0.00 0.02 0.00 0.00 55.97 55.12 3cgl s LYS 185 Cb 0.12 -2.76 -0.06 0.00 -0.52 0.00 0.00 37.83 34.61 3cgl s LYS 185 CO 0.81 0.65 1.29 0.00 -0.92 0.00 0.00 175.35 177.17 3cgl n ALA 186 N 1.50 1.34 -2.78 5.17 0.00 -1.26 -4.99 120.51 119.49 3cgl n ALA 186 Ca -0.15 0.15 -0.36 0.00 0.00 0.00 0.00 53.44 53.08 3cgl n ALA 186 Cb 0.53 -2.30 -0.07 0.00 0.00 0.00 0.00 19.45 17.61 3cgl n ALA 186 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3cgl s ALA 187 N -1.29 3.75 0.00 0.00 0.00 -1.26 -5.11 121.76 117.85 3cgl s ALA 187 Ca 0.69 -0.65 0.00 0.00 0.00 0.00 0.00 51.96 52.00 3cgl s ALA 187 Cb -0.44 -2.12 0.00 0.00 0.00 0.00 0.00 23.12 20.56 3cgl s ALA 187 CO 0.51 0.31 0.00 -0.11 0.00 0.00 0.00 175.76 176.48 3cgl n LEU 188 N 2.98 0.00 0.00 0.00 7.94 -1.26 -4.82 117.00 121.83 3cgl n LEU 188 Ca -0.17 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.73 3cgl n LEU 188 Cb 0.53 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.48 3cgl n LEU 188 CO 0.35 0.00 0.00 2.29 -1.11 0.00 0.00 177.39 178.92 3cgl n LYS 189 N 0.00 0.00 -4.59 1.96 0.00 0.00 -4.97 118.16 110.57 3cgl n LYS 189 Ca 0.00 0.00 -0.28 0.00 -0.00 0.00 0.00 58.31 58.03 3cgl n LYS 189 Cb 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 35.03 34.89 3cgl n LYS 189 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.40 175.76 3cgl s MET 190 N 0.00 1.48 0.79 -1.58 1.00 -1.26 -4.89 119.30 114.83 3cgl s MET 190 Ca 0.00 -1.16 -0.11 0.00 0.00 0.00 0.00 55.69 54.42 3cgl s MET 190 Cb 0.00 -1.76 0.06 0.00 0.00 0.00 0.00 34.83 33.14 3cgl s MET 190 CO 0.00 0.43 1.09 -1.25 0.00 0.00 0.00 175.02 175.29 3cgl s PRO 191 N -1.59 2.16 0.00 2.03 0.04 -1.26 -4.79 135.00 131.59 3cgl s PRO 191 Ca 0.11 0.80 0.00 0.00 0.04 0.00 0.00 61.00 61.94 3cgl s PRO 191 Cb -0.10 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.53 3cgl s PRO 191 CO 0.04 -1.60 0.00 0.41 0.04 0.00 0.00 177.00 175.88 3cgl n GLY 192 N -1.82 1.58 3.66 0.56 0.00 -1.26 -4.33 105.19 103.58 3cgl n GLY 192 Ca 0.07 -1.83 -0.43 0.00 0.00 0.00 0.00 46.02 43.83 3cgl n GLY 192 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3cgl s TYR 193 N 2.12 2.97 0.38 1.61 5.04 -1.26 -4.47 117.35 123.74 3cgl s TYR 193 Ca 0.00 1.11 -0.14 0.00 -2.44 0.00 0.00 57.07 55.60 3cgl s TYR 193 Cb 0.00 -3.45 0.06 0.00 0.35 0.00 0.00 41.96 38.91 3cgl s TYR 193 CO 0.00 -1.44 0.76 -2.39 -1.34 0.00 0.00 175.55 171.14 3cgl n HIS 194 N 6.39 -2.31 -4.22 4.97 1.44 -0.80 -4.76 115.22 115.93 3cgl n HIS 194 Ca 0.13 -1.79 -0.17 0.00 -2.01 0.00 0.00 57.72 53.88 3cgl n HIS 194 Cb 0.45 0.89 -0.11 0.00 0.12 0.00 0.00 29.99 31.34 3cgl n HIS 194 CO 0.00 0.00 0.00 0.71 -2.81 0.00 0.00 176.34 174.24 3cgl s TYR 195 N -2.44 1.30 -0.13 -1.40 1.51 0.65 -0.12 117.35 116.73 3cgl s TYR 195 Ca 0.15 -0.57 0.01 0.00 -1.01 0.00 0.00 57.07 55.66 3cgl s TYR 195 Cb -0.05 -0.69 0.02 0.00 -0.11 0.00 0.00 41.96 41.13 3cgl s TYR 195 CO 0.12 0.10 -0.14 0.08 -1.11 0.00 0.00 175.55 174.60 3cgl s VAL 196 N -2.11 1.48 -0.17 0.71 1.01 -0.12 -0.96 120.40 120.24 3cgl s VAL 196 Ca 0.07 -0.60 -0.17 0.00 0.00 0.00 0.00 61.98 61.29 3cgl s VAL 196 Cb -0.05 -1.38 -0.04 0.00 0.00 0.00 0.00 36.38 34.91 3cgl s VAL 196 CO 0.02 0.44 0.42 -1.81 0.00 0.00 0.00 175.10 174.18 3cgl s ASP 197 N 1.29 6.54 0.07 3.32 -0.00 0.14 -0.44 116.67 127.59 3cgl s ASP 197 Ca -0.00 0.64 0.07 0.00 -0.00 0.00 0.00 52.55 53.26 3cgl s ASP 197 Cb -0.14 -2.25 -0.03 0.00 -0.00 0.00 0.00 42.92 40.50 3cgl s ASP 197 CO -0.06 -0.04 -0.18 -0.89 -0.00 0.00 0.00 175.17 174.00 3cgl s THR 198 N 0.99 1.48 -0.11 -1.27 2.01 -0.02 -1.14 115.64 117.58 3cgl s THR 198 Ca 0.22 -1.33 -0.02 0.00 0.31 0.00 0.00 61.69 60.87 3cgl s THR 198 Cb -0.15 -1.34 0.04 0.00 0.01 0.00 0.00 72.50 71.06 3cgl s THR 198 CO 0.08 -0.03 0.00 -0.75 -0.69 0.00 0.00 174.62 173.24 3cgl s LYS 199 N -1.59 0.75 -0.16 4.92 2.20 -0.17 0.15 119.74 125.85 3cgl s LYS 199 Ca 0.04 -0.09 -0.02 0.00 -0.36 0.00 0.00 55.97 55.53 3cgl s LYS 199 Cb -0.09 -1.38 -0.02 0.00 -1.51 0.00 0.00 37.83 34.83 3cgl s LYS 199 CO 0.03 -0.39 -0.07 -1.17 -0.36 0.00 0.00 175.35 173.39 3cgl s LEU 200 N 1.90 3.02 0.00 5.43 0.20 -1.26 -1.52 118.68 126.45 3cgl s LEU 200 Ca 0.03 -0.23 0.02 0.00 0.69 0.00 0.00 54.13 54.64 3cgl s LEU 200 Cb -0.14 -1.72 -0.01 0.00 -0.43 0.00 0.00 46.19 43.90 3cgl s LEU 200 CO -0.06 0.14 -0.07 0.68 -0.29 0.00 0.00 176.35 176.75 3cgl s VAL 201 N 0.51 0.54 -0.10 1.68 -7.23 -0.04 -4.48 120.40 111.27 3cgl s VAL 201 Ca -0.05 -0.39 -0.30 0.00 -1.81 0.00 0.00 61.98 59.43 3cgl s VAL 201 Cb -0.15 -0.47 -0.02 0.00 0.56 0.00 0.00 36.38 36.30 3cgl s VAL 201 CO 0.03 0.08 1.11 -0.63 -0.31 0.00 0.00 175.10 175.38 3cgl s ILE 202 N -0.31 4.52 -0.21 -0.62 -1.09 -1.26 -0.53 121.20 121.69 3cgl s ILE 202 Ca 0.01 1.81 -0.21 0.00 -2.23 0.00 0.00 60.65 60.04 3cgl s ILE 202 Cb -0.03 -4.17 -0.19 0.00 -1.58 0.00 0.00 42.46 36.49 3cgl s ILE 202 CO -0.00 -0.03 0.20 0.79 -1.23 0.00 0.00 174.94 174.66 3cgl n TRP 203 N 5.36 0.99 -3.98 3.97 7.02 0.15 -4.96 117.44 126.00 3cgl n TRP 203 Ca 0.10 0.42 -0.10 0.00 -1.02 0.00 0.00 57.50 56.90 3cgl n TRP 203 Cb 0.47 -1.10 -0.12 0.00 -2.42 0.00 0.00 31.31 28.14 3cgl n TRP 203 CO 0.00 0.00 0.00 -0.80 -2.02 0.00 0.00 177.69 174.87 3cgl s ASN 204 N -6.89 0.29 0.02 -0.99 -0.87 -1.04 -4.99 114.94 100.47 3cgl s ASN 204 Ca -0.29 -0.40 -0.23 0.00 -1.57 0.00 0.00 52.86 50.37 3cgl s ASN 204 Cb 0.06 0.07 0.05 0.00 -0.02 0.00 0.00 41.25 41.41 3cgl s ASN 204 CO 0.59 -0.22 0.53 0.54 -2.57 0.00 0.00 177.10 175.97 3cgl s ASN 205 N -1.16 -0.46 0.29 -1.22 4.22 -1.26 -0.59 114.94 114.76 3cgl s ASN 205 Ca -0.12 0.27 0.03 0.00 -2.14 0.00 0.00 52.86 50.90 3cgl s ASN 205 Cb -0.08 0.48 -0.03 0.00 1.28 0.00 0.00 41.25 42.90 3cgl s ASN 205 CO -0.01 -0.68 0.45 1.51 -2.04 0.00 0.00 177.10 176.34 3cgl s ASP 206 N -1.77 6.31 0.24 3.54 -4.77 -1.01 -5.02 116.67 114.19 3cgl s ASP 206 Ca -0.07 0.26 -0.09 0.00 -3.30 0.00 0.00 52.55 49.35 3cgl s ASP 206 Cb -0.01 -1.95 0.38 0.00 -1.09 0.00 0.00 42.92 40.26 3cgl s ASP 206 CO 0.01 -0.17 1.63 0.50 0.70 0.00 0.00 175.17 177.83 3cgl h LYS 207 N 1.00 0.06 0.00 2.11 3.11 -2.02 0.05 116.57 120.88 3cgl h LYS 207 Ca -0.51 -0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.33 3cgl h LYS 207 Cb 1.22 -0.01 0.00 0.00 -1.00 0.00 0.00 32.23 32.44 3cgl h LYS 207 CO 0.61 0.04 0.00 0.93 -2.81 0.00 0.00 179.45 178.23 3cgl h GLU 208 N 0.06 0.00 -2.24 1.90 5.08 -1.98 -3.47 114.58 113.93 3cgl h GLU 208 Ca 0.39 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.67 3cgl h GLU 208 Cb 0.65 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.93 3cgl h GLU 208 CO -0.68 0.00 -0.14 1.19 -1.00 0.00 0.00 179.01 178.37 3cgl n PHE 209 N -2.34 -0.52 -0.10 4.33 0.99 0.00 -4.61 117.46 115.21 3cgl n PHE 209 Ca 0.04 0.20 -0.11 0.00 -0.00 0.00 0.00 57.45 57.58 3cgl n PHE 209 Cb 0.36 -2.10 -0.15 0.00 -1.00 0.00 0.00 39.48 36.59 3cgl n PHE 209 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 176.76 175.43 3cgl n MET 210 N -1.48 0.81 -4.04 -1.08 2.81 -1.26 -4.80 117.12 108.08 3cgl n MET 210 Ca -0.02 0.01 -0.31 0.00 -1.81 0.00 0.00 57.70 55.57 3cgl n MET 210 Cb 0.52 -1.50 -0.16 0.00 -0.71 0.00 0.00 33.22 31.37 3cgl n MET 210 CO 0.00 0.00 0.00 -1.59 1.51 0.00 0.00 175.97 175.89 3cgl s LYS 211 N -2.47 2.41 -0.04 0.03 0.00 -1.26 -1.61 119.74 116.80 3cgl s LYS 211 Ca -0.13 -0.78 0.01 0.00 0.00 0.00 0.00 55.97 55.06 3cgl s LYS 211 Cb 0.06 -2.39 0.02 0.00 0.00 0.00 0.00 37.83 35.52 3cgl s LYS 211 CO 0.76 -0.31 -0.02 0.08 0.00 0.00 0.00 175.35 175.85 3cgl s VAL 212 N 1.37 0.36 -0.18 1.79 1.01 -0.36 -2.39 120.40 122.00 3cgl s VAL 212 Ca 0.02 -0.02 -0.04 0.00 0.00 0.00 0.00 61.98 61.95 3cgl s VAL 212 Cb -0.14 -0.43 -0.02 0.00 0.00 0.00 0.00 36.38 35.79 3cgl s VAL 212 CO -0.10 0.19 -0.03 -0.70 0.00 0.00 0.00 175.10 174.45 3cgl s GLU 213 N 1.01 3.59 0.07 2.72 2.12 0.24 0.05 118.70 128.49 3cgl s GLU 213 Ca -0.10 -0.55 0.05 0.00 0.36 0.00 0.00 54.97 54.73 3cgl s GLU 213 Cb -0.14 -2.95 -0.03 0.00 0.26 0.00 0.00 34.13 31.27 3cgl s GLU 213 CO -0.01 0.11 -0.14 -1.83 -0.54 0.00 0.00 175.26 172.85 3cgl s GLU 214 N 0.72 0.83 -0.03 4.30 -1.05 -0.35 0.32 118.70 123.44 3cgl s GLU 214 Ca -0.02 -0.93 0.04 0.00 -0.15 0.00 0.00 54.97 53.91 3cgl s GLU 214 Cb -0.14 -0.84 -0.01 0.00 -0.44 0.00 0.00 34.13 32.70 3cgl s GLU 214 CO 0.02 0.19 -0.16 -1.58 0.95 0.00 0.00 175.26 174.68 3cgl s HIS 215 N -1.22 1.52 -0.01 4.83 5.65 0.31 -1.43 115.29 124.93 3cgl s HIS 215 Ca -0.02 -0.38 0.04 0.00 0.25 0.00 0.00 55.06 54.96 3cgl s HIS 215 Cb -0.10 -1.01 -0.01 0.00 -1.18 0.00 0.00 32.58 30.28 3cgl s HIS 215 CO 0.02 -0.10 -0.13 -1.83 -0.65 0.00 0.00 174.74 172.05 3cgl s GLU 216 N -0.10 1.10 -0.08 2.88 -1.05 -0.39 -0.86 118.70 120.20 3cgl s GLU 216 Ca 0.00 -0.46 0.04 0.00 -0.15 0.00 0.00 54.97 54.40 3cgl s GLU 216 Cb -0.09 -1.05 0.00 0.00 -0.44 0.00 0.00 34.13 32.55 3cgl s GLU 216 CO 0.01 0.26 -0.20 -1.50 0.95 0.00 0.00 175.26 174.78 3cgl s ILE 217 N -0.23 1.76 -0.00 1.83 2.07 -0.57 -2.03 121.20 124.02 3cgl s ILE 217 Ca 0.04 -0.86 0.00 0.00 -1.41 0.00 0.00 60.65 58.42 3cgl s ILE 217 Cb -0.06 -1.53 0.01 0.00 0.13 0.00 0.00 42.46 41.00 3cgl s ILE 217 CO -0.00 0.49 0.01 0.00 -1.91 0.00 0.00 174.94 173.53 3cgl s ALA 218 N 0.34 0.02 -0.02 1.50 0.00 -0.22 -1.00 121.76 122.38 3cgl s ALA 218 Ca -0.15 0.06 0.00 0.00 0.00 0.00 0.00 51.96 51.87 3cgl s ALA 218 Cb -0.16 -0.05 0.02 0.00 0.00 0.00 0.00 23.12 22.93 3cgl s ALA 218 CO 0.06 -0.02 0.01 0.08 0.00 0.00 0.00 175.76 175.89 3cgl s VAL 219 N 0.20 0.06 0.23 0.00 1.01 -0.29 -1.32 120.40 120.29 3cgl s VAL 219 Ca -0.02 0.10 -0.11 0.00 0.00 0.00 0.00 61.98 61.95 3cgl s VAL 219 Cb -0.02 -0.15 -0.08 0.00 0.00 0.00 0.00 36.38 36.14 3cgl s VAL 219 CO -0.01 0.09 0.59 0.00 0.00 0.00 0.00 175.10 175.77 3cgl s ALA 220 N 0.76 3.52 0.08 5.51 0.00 0.86 -0.68 121.76 131.81 3cgl s ALA 220 Ca -0.07 -0.19 -0.26 0.00 0.00 0.00 0.00 51.96 51.45 3cgl s ALA 220 Cb -0.10 -2.52 0.08 0.00 0.00 0.00 0.00 23.12 20.59 3cgl s ALA 220 CO -0.02 0.47 0.73 -0.98 0.00 0.00 0.00 175.76 175.96 3cgl s ARG 221 N -2.71 1.07 0.80 0.00 1.70 -0.13 -4.46 118.95 115.21 3cgl s ARG 221 Ca 0.47 -0.37 -0.10 0.00 -0.47 0.00 0.00 55.73 55.26 3cgl s ARG 221 Cb -0.12 0.49 0.10 0.00 -0.57 0.00 0.00 34.95 34.86 3cgl s ARG 221 CO 0.20 -0.46 1.14 -1.01 -1.08 0.00 0.00 175.30 174.08 3cgl s HIS 222 N -3.38 2.54 0.38 5.89 3.76 -1.26 -0.26 115.29 122.96 3cgl s HIS 222 Ca 0.02 0.46 -0.27 0.00 -0.15 0.00 0.00 55.06 55.12 3cgl s HIS 222 Cb -0.01 -3.48 -0.11 0.00 1.11 0.00 0.00 32.58 30.09 3cgl s HIS 222 CO -0.11 -1.83 1.37 1.58 -0.85 0.00 0.00 174.74 174.91 3cgl n HIS 223 N -3.23 2.55 0.00 1.40 -0.00 -1.26 -4.78 115.22 109.89 3cgl n HIS 223 Ca 0.10 0.50 0.22 0.00 0.46 0.00 0.00 57.72 59.00 3cgl n HIS 223 Cb 0.60 -2.45 0.73 0.00 -0.12 0.00 0.00 29.99 28.75 3cgl n HIS 223 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 3cgl h PRO 224 N 2.59 0.00 -0.07 1.57 0.13 -1.93 0.81 132.00 135.10 3cgl h PRO 224 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 3cgl h PRO 224 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 3cgl h PRO 224 CO 0.62 0.00 0.00 1.19 -0.23 0.00 0.00 178.00 179.58 3cgl n PHE 225 N -4.00 0.08 0.36 1.56 3.72 -1.26 -5.02 117.46 112.90 3cgl n PHE 225 Ca 0.11 -0.04 0.03 0.00 -0.05 0.00 0.00 57.45 57.50 3cgl n PHE 225 Cb 0.71 0.00 0.17 0.00 -0.94 0.00 0.00 39.48 39.42 3cgl n PHE 225 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37