#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 5.00 0.43 2.52 1.09 -1.26 -4.98 121.20 124.00 3cgl s ILE 8 Ca 0.00 1.20 0.08 0.00 -1.10 0.00 0.00 60.65 60.82 3cgl s ILE 8 Cb 0.00 -3.95 -0.00 0.00 -1.06 0.00 0.00 42.46 37.44 3cgl s ILE 8 CO 0.00 0.08 0.46 -0.54 -0.10 0.00 0.00 174.94 174.84 3cgl s LYS 9 N 2.10 2.63 0.36 2.79 -0.14 -1.26 -5.03 119.74 121.18 3cgl s LYS 9 Ca 0.28 -1.44 0.14 0.00 -1.36 0.00 0.00 55.97 53.59 3cgl s LYS 9 Cb -0.16 -2.52 0.68 0.00 -1.68 0.00 0.00 37.83 34.15 3cgl s LYS 9 CO 0.10 -0.25 1.78 1.05 -0.76 0.00 0.00 175.35 177.26 3cgl h GLU 10 N 0.85 0.00 -4.04 1.68 4.11 -1.97 -3.41 114.58 111.81 3cgl h GLU 10 Ca -0.40 0.00 -0.39 0.00 0.07 0.00 0.00 59.36 58.64 3cgl h GLU 10 Cb 1.27 0.00 -0.33 0.00 0.50 0.00 0.00 28.75 30.19 3cgl h GLU 10 CO 0.52 0.41 -0.77 -2.00 0.07 0.00 0.00 179.01 177.25 3cgl s GLU 11 N -3.98 0.72 0.01 1.06 -6.30 -1.26 -3.97 118.70 104.99 3cgl s GLU 11 Ca -0.02 -0.10 0.00 0.00 -2.50 0.00 0.00 54.97 52.35 3cgl s GLU 11 Cb 0.13 -0.74 -0.01 0.00 0.00 0.00 0.00 34.13 33.51 3cgl s GLU 11 CO 0.72 -0.06 -0.03 -1.64 0.02 0.00 0.00 175.26 174.28 3cgl s MET 12 N 0.77 0.24 0.45 4.30 1.00 -0.30 -4.97 119.30 120.79 3cgl s MET 12 Ca -0.10 -0.41 -0.05 0.00 0.00 0.00 0.00 55.69 55.13 3cgl s MET 12 Cb -0.13 0.00 -0.04 0.00 0.00 0.00 0.00 34.83 34.66 3cgl s MET 12 CO 0.00 -0.01 0.75 -0.51 0.00 0.00 0.00 175.02 175.25 3cgl s LEU 13 N -0.93 3.70 -0.08 -0.03 1.43 -0.36 -0.78 118.68 121.63 3cgl s LEU 13 Ca -0.09 0.88 0.03 0.00 -1.03 0.00 0.00 54.13 53.91 3cgl s LEU 13 Cb -0.06 -3.81 0.01 0.00 0.03 0.00 0.00 46.19 42.35 3cgl s LEU 13 CO -0.00 -0.52 -0.16 -0.63 0.23 0.00 0.00 176.35 175.26 3cgl s ILE 14 N -2.64 1.46 -0.13 -0.59 1.01 0.12 -0.29 121.20 120.13 3cgl s ILE 14 Ca 0.47 -0.67 0.02 0.00 0.00 0.00 0.00 60.65 60.47 3cgl s ILE 14 Cb -0.10 -1.31 0.01 0.00 0.01 0.00 0.00 42.46 41.07 3cgl s ILE 14 CO 0.42 0.43 -0.20 -0.62 0.00 0.00 0.00 174.94 174.97 3cgl s ASP 15 N 0.58 2.93 0.05 3.58 2.15 0.86 -0.82 116.67 126.00 3cgl s ASP 15 Ca -0.16 -0.56 0.03 0.00 0.43 0.00 0.00 52.55 52.30 3cgl s ASP 15 Cb -0.16 -1.35 -0.03 0.00 -0.30 0.00 0.00 42.92 41.08 3cgl s ASP 15 CO 0.05 0.06 -0.10 -1.48 -0.17 0.00 0.00 175.17 173.53 3cgl s LEU 16 N 0.89 2.26 -0.03 -1.34 0.05 0.60 -0.95 118.68 120.17 3cgl s LEU 16 Ca -0.06 -0.57 0.01 0.00 0.05 0.00 0.00 54.13 53.56 3cgl s LEU 16 Cb -0.15 -0.28 0.01 0.00 -2.05 0.00 0.00 46.19 43.72 3cgl s LEU 16 CO -0.02 -0.16 -0.04 -2.28 -0.55 0.00 0.00 176.35 173.30 3cgl s HIS 17 N -1.34 0.55 -0.10 3.48 2.46 -0.80 -1.06 115.29 118.48 3cgl s HIS 17 Ca -0.07 -0.11 0.03 0.00 0.47 0.00 0.00 55.06 55.38 3cgl s HIS 17 Cb -0.10 -0.47 0.00 0.00 -0.13 0.00 0.00 32.58 31.88 3cgl s HIS 17 CO 0.01 -0.11 -0.21 -1.17 -2.47 0.00 0.00 174.74 170.79 3cgl s LEU 18 N 0.53 1.98 -0.09 8.88 0.20 0.13 -1.08 118.68 129.24 3cgl s LEU 18 Ca -0.06 -0.50 0.02 0.00 0.69 0.00 0.00 54.13 54.28 3cgl s LEU 18 Cb -0.10 -1.28 -0.02 0.00 -0.43 0.00 0.00 46.19 44.36 3cgl s LEU 18 CO -0.00 0.12 -0.15 -1.61 -0.29 0.00 0.00 176.35 174.41 3cgl s GLU 19 N 0.47 2.92 0.19 1.98 2.02 -0.33 -0.70 118.70 125.25 3cgl s GLU 19 Ca -0.17 -0.72 -0.19 0.00 0.02 0.00 0.00 54.97 53.91 3cgl s GLU 19 Cb -0.17 -2.46 0.04 0.00 0.10 0.00 0.00 34.13 31.64 3cgl s GLU 19 CO 0.07 0.40 0.56 0.20 0.02 0.00 0.00 175.26 176.51 3cgl s GLY 20 N -0.15 -0.26 0.07 -1.39 0.00 -0.32 -0.85 107.32 104.42 3cgl s GLY 20 Ca -0.01 -0.01 0.07 0.00 0.00 0.00 0.00 44.72 44.77 3cgl s GLY 20 CO 0.03 -0.12 -0.19 -0.51 0.00 0.00 0.00 173.10 172.32 3cgl s THR 21 N -3.84 1.52 -0.12 0.90 -4.23 -0.75 -0.97 115.64 108.15 3cgl s THR 21 Ca 0.07 -1.32 -0.01 0.00 -1.18 0.00 0.00 61.69 59.24 3cgl s THR 21 Cb -0.01 -1.37 0.03 0.00 1.34 0.00 0.00 72.50 72.48 3cgl s THR 21 CO -0.05 0.01 -0.04 0.12 -0.54 0.00 0.00 174.62 174.12 3cgl s PHE 22 N -1.02 1.26 -1.64 3.99 5.36 0.05 -0.49 117.98 125.48 3cgl s PHE 22 Ca 0.05 -0.66 -0.09 0.00 -0.96 0.00 0.00 56.93 55.27 3cgl s PHE 22 Cb -0.09 -1.11 0.08 0.00 -0.34 0.00 0.00 43.02 41.56 3cgl s PHE 22 CO 0.03 -0.49 0.29 0.09 -1.46 0.00 0.00 175.22 173.68 3cgl n ASN 23 N 5.00 -0.37 0.00 6.13 3.02 0.42 -1.04 115.26 128.41 3cgl n ASN 23 Ca -0.10 -1.21 0.00 0.00 -0.03 0.00 0.00 54.58 53.23 3cgl n ASN 23 Cb 0.49 -1.87 0.00 0.00 -0.61 0.00 0.00 39.78 37.79 3cgl n ASN 23 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3cgl n GLY 24 N -1.97 1.48 3.58 7.41 0.00 -1.26 -5.02 105.19 109.41 3cgl n GLY 24 Ca -0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.46 3cgl n GLY 24 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3cgl s HIS 25 N -2.52 3.23 0.27 1.61 5.04 -0.21 -5.04 115.29 117.67 3cgl s HIS 25 Ca 0.00 0.28 -0.29 0.00 -1.54 0.00 0.00 55.06 53.51 3cgl s HIS 25 Cb 0.00 -2.66 -0.09 0.00 0.04 0.00 0.00 32.58 29.87 3cgl s HIS 25 CO 0.00 -0.33 0.97 -0.47 -2.34 0.00 0.00 174.74 172.57 3cgl s TYR 26 N 2.12 3.82 0.06 3.88 6.14 -1.26 -0.77 117.35 131.35 3cgl s TYR 26 Ca 0.15 1.84 -0.17 0.00 0.64 0.00 0.00 57.07 59.54 3cgl s TYR 26 Cb -0.16 -3.03 0.03 0.00 0.42 0.00 0.00 41.96 39.23 3cgl s TYR 26 CO 0.11 0.19 0.38 -0.59 0.64 0.00 0.00 175.55 176.28 3cgl s PHE 27 N -1.29 -0.21 0.03 4.97 -0.12 -0.14 -4.34 117.98 116.88 3cgl s PHE 27 Ca 0.44 0.08 0.04 0.00 -0.05 0.00 0.00 56.93 57.44 3cgl s PHE 27 Cb -0.25 0.20 -0.02 0.00 -0.63 0.00 0.00 43.02 42.32 3cgl s PHE 27 CO 0.32 -0.59 -0.12 -1.21 -0.05 0.00 0.00 175.22 173.56 3cgl s GLU 28 N -2.85 0.83 -0.03 1.99 2.02 -0.44 -1.17 118.70 119.05 3cgl s GLU 28 Ca -0.03 -0.69 0.02 0.00 0.02 0.00 0.00 54.97 54.29 3cgl s GLU 28 Cb 0.00 -0.80 0.01 0.00 0.10 0.00 0.00 34.13 33.44 3cgl s GLU 28 CO -0.05 0.20 -0.06 0.42 0.02 0.00 0.00 175.26 175.78 3cgl s ILE 29 N -0.84 0.59 0.05 -1.63 1.01 0.12 -1.09 121.20 119.42 3cgl s ILE 29 Ca 0.00 -0.24 0.08 0.00 0.00 0.00 0.00 60.65 60.49 3cgl s ILE 29 Cb -0.07 -0.55 -0.03 0.00 0.01 0.00 0.00 42.46 41.81 3cgl s ILE 29 CO 0.01 0.20 -0.20 -0.75 0.00 0.00 0.00 174.94 174.20 3cgl s LYS 30 N 0.37 1.97 0.37 2.79 2.47 -0.38 0.20 119.74 127.52 3cgl s LYS 30 Ca -0.05 -1.03 -0.09 0.00 -1.56 0.00 0.00 55.97 53.24 3cgl s LYS 30 Cb -0.09 -2.13 0.03 0.00 -1.46 0.00 0.00 37.83 34.18 3cgl s LYS 30 CO 0.00 0.53 0.64 0.20 0.16 0.00 0.00 175.35 176.88 3cgl s GLY 31 N -1.45 0.94 0.17 5.54 0.00 -0.22 -0.29 107.32 112.01 3cgl s GLY 31 Ca 0.14 -1.14 -0.17 0.00 0.00 0.00 0.00 44.72 43.55 3cgl s GLY 31 CO 0.05 -0.65 0.48 -1.59 0.00 0.00 0.00 173.10 171.39 3cgl s LYS 32 N -2.65 1.28 0.00 2.90 0.00 -0.63 -0.29 119.74 120.36 3cgl s LYS 32 Ca 0.23 -0.82 0.00 0.00 0.00 0.00 0.00 55.97 55.38 3cgl s LYS 32 Cb -0.03 0.50 0.00 0.00 0.00 0.00 0.00 37.83 38.31 3cgl s LYS 32 CO 0.16 -0.53 0.00 0.41 0.00 0.00 0.00 175.35 175.39 3cgl n GLY 33 N -0.31 1.08 3.50 0.59 0.00 0.00 -0.44 105.19 109.61 3cgl n GLY 33 Ca -0.12 -0.48 -0.09 0.00 0.00 0.00 0.00 46.02 45.33 3cgl n GLY 33 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3cgl s LYS 34 N 1.39 0.89 0.31 1.61 -2.85 -0.87 0.11 119.74 120.33 3cgl s LYS 34 Ca 0.00 -0.33 -0.16 0.00 -1.00 0.00 0.00 55.97 54.47 3cgl s LYS 34 Cb 0.00 0.41 0.03 0.00 -2.06 0.00 0.00 37.83 36.20 3cgl s LYS 34 CO 0.00 -0.39 0.68 0.20 0.10 0.00 0.00 175.35 175.94 3cgl s GLY 35 N -2.53 0.30 -0.45 0.59 0.00 0.04 -1.35 107.32 103.92 3cgl s GLY 35 Ca 0.05 -0.65 0.03 0.00 0.00 0.00 0.00 44.72 44.15 3cgl s GLY 35 CO -0.09 -0.33 0.20 1.20 0.00 0.00 0.00 173.10 174.08 3cgl s GLN 36 N -3.33 1.67 0.36 2.90 1.11 -0.01 -1.15 119.66 121.21 3cgl s GLN 36 Ca 0.16 -2.26 0.10 0.00 0.01 0.00 0.00 55.36 53.37 3cgl s GLN 36 Cb -0.04 -3.05 0.85 0.00 -1.01 0.00 0.00 33.01 29.76 3cgl s GLN 36 CO 0.10 -1.07 1.86 -1.35 0.01 0.00 0.00 175.29 174.83 3cgl h PRO 37 N 6.89 0.64 0.00 2.91 0.11 -1.78 0.12 132.00 140.88 3cgl h PRO 37 Ca -0.06 -0.04 -0.14 0.00 0.11 0.00 0.00 66.00 65.86 3cgl h PRO 37 Cb 0.93 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 31.88 3cgl h PRO 37 CO 0.60 0.42 -0.69 -0.91 -0.21 0.00 0.00 178.00 177.21 3cgl h ASN 38 N 0.66 0.00 1.51 -2.05 2.35 -1.84 -3.19 115.58 113.02 3cgl h ASN 38 Ca 0.46 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.21 3cgl h ASN 38 Cb 0.80 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.17 3cgl h ASN 38 CO -0.22 0.69 -0.14 -0.33 -1.65 0.00 0.00 177.43 175.78 3cgl h GLU 39 N 0.00 0.00 -0.30 0.81 4.39 -1.39 -3.41 114.58 114.69 3cgl h GLU 39 Ca -0.01 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.63 3cgl h GLU 39 Cb 1.53 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 30.17 3cgl h GLU 39 CO 0.09 0.00 -0.06 0.41 -1.16 0.00 0.00 179.01 178.28 3cgl n GLY 40 N 1.25 0.40 3.31 -3.84 0.00 -0.29 -4.64 105.19 101.37 3cgl n GLY 40 Ca 0.05 -0.84 -0.23 0.00 0.00 0.00 0.00 46.02 44.99 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 -2.13 1.77 -0.09 2.61 -4.23 -1.18 -0.15 115.64 112.24 3cgl s THR 41 Ca 0.00 -1.72 -0.30 0.00 -1.18 0.00 0.00 61.69 58.49 3cgl s THR 41 Cb 0.00 -1.70 0.07 0.00 1.34 0.00 0.00 72.50 72.22 3cgl s THR 41 CO 0.00 -0.18 0.70 0.54 -0.54 0.00 0.00 174.62 175.14 3cgl s ASN 42 N -2.27 -0.67 -0.03 3.99 2.20 -0.64 -0.83 114.94 116.70 3cgl s ASN 42 Ca 0.11 0.84 0.06 0.00 -0.94 0.00 0.00 52.86 52.93 3cgl s ASN 42 Cb -0.08 0.70 -0.01 0.00 -2.00 0.00 0.00 41.25 39.86 3cgl s ASN 42 CO 0.05 -0.53 -0.20 -0.89 -2.94 0.00 0.00 177.10 172.58 3cgl s THR 43 N -0.90 1.64 0.05 0.54 2.01 -0.45 -1.14 115.64 117.39 3cgl s THR 43 Ca -0.09 -0.87 0.05 0.00 0.31 0.00 0.00 61.69 61.10 3cgl s THR 43 Cb -0.01 -1.37 -0.03 0.00 0.01 0.00 0.00 72.50 71.10 3cgl s THR 43 CO 0.08 0.46 -0.14 0.68 -0.69 0.00 0.00 174.62 175.02 3cgl s VAL 44 N -0.32 1.08 -0.12 3.82 -7.23 -0.45 -2.06 120.40 115.12 3cgl s VAL 44 Ca 0.04 -1.14 0.03 0.00 -1.81 0.00 0.00 61.98 59.09 3cgl s VAL 44 Cb -0.10 -1.01 0.01 0.00 0.56 0.00 0.00 36.38 35.84 3cgl s VAL 44 CO 0.00 -0.12 -0.22 -0.89 -0.31 0.00 0.00 175.10 173.56 3cgl s THR 45 N -1.07 2.00 0.03 5.32 2.01 0.42 -1.11 115.64 123.24 3cgl s THR 45 Ca -0.01 -0.96 0.09 0.00 0.31 0.00 0.00 61.69 61.12 3cgl s THR 45 Cb -0.09 -1.76 -0.03 0.00 0.01 0.00 0.00 72.50 70.64 3cgl s THR 45 CO 0.02 0.54 -0.26 -0.76 -0.69 0.00 0.00 174.62 173.47 3cgl s LEU 46 N 0.66 2.14 -0.07 4.42 2.01 0.10 -1.60 118.68 126.34 3cgl s LEU 46 Ca -0.11 -0.55 0.02 0.00 0.01 0.00 0.00 54.13 53.49 3cgl s LEU 46 Cb -0.16 -1.25 0.01 0.00 0.01 0.00 0.00 46.19 44.80 3cgl s LEU 46 CO 0.02 0.26 -0.12 -1.61 1.01 0.00 0.00 176.35 175.91 3cgl s GLU 47 N -1.09 1.67 -0.26 1.70 2.02 0.60 -1.15 118.70 122.18 3cgl s GLU 47 Ca 0.11 -0.40 -0.29 0.00 0.02 0.00 0.00 54.97 54.41 3cgl s GLU 47 Cb -0.10 -1.40 -0.01 0.00 0.10 0.00 0.00 34.13 32.72 3cgl s GLU 47 CO 0.01 0.01 1.41 0.08 0.02 0.00 0.00 175.26 176.79 3cgl s VAL 48 N 0.72 3.99 -2.39 2.63 1.01 -0.37 -1.25 120.40 124.74 3cgl s VAL 48 Ca -0.13 1.13 0.20 0.00 0.00 0.00 0.00 61.98 63.17 3cgl s VAL 48 Cb -0.16 -3.99 0.21 0.00 0.00 0.00 0.00 36.38 32.44 3cgl s VAL 48 CO 0.03 -0.39 1.17 0.35 0.00 0.00 0.00 175.10 176.26 3cgl n THR 49 N 6.22 0.12 -3.56 3.92 -2.24 -0.25 -4.87 114.28 113.62 3cgl n THR 49 Ca 0.16 -0.56 -0.00 0.00 -2.27 0.00 0.00 64.05 61.38 3cgl n THR 49 Cb 0.46 1.30 -0.06 0.00 -2.10 0.00 0.00 70.33 69.94 3cgl n THR 49 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 3cgl s LYS 50 N -1.58 0.28 -0.21 -0.78 2.36 -1.17 -4.90 119.74 113.74 3cgl s LYS 50 Ca 0.25 0.54 0.00 0.00 -2.55 0.00 0.00 55.97 54.21 3cgl s LYS 50 Cb 0.17 0.15 0.00 0.00 -1.05 0.00 0.00 37.83 37.10 3cgl s LYS 50 CO 0.25 -0.07 0.00 0.41 1.55 0.00 0.00 175.35 177.49 3cgl n GLY 51 N 3.94 0.53 3.98 5.54 0.00 -1.26 -1.33 105.19 116.58 3cgl n GLY 51 Ca -0.15 -0.99 -0.19 0.00 0.00 0.00 0.00 46.02 44.68 3cgl n GLY 51 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3cgl s GLY 52 N -2.98 1.58 0.33 -0.02 0.00 -1.26 -4.08 107.32 100.89 3cgl s GLY 52 Ca 0.00 -1.46 -0.29 0.00 0.00 0.00 0.00 44.72 42.97 3cgl s GLY 52 CO 0.00 -1.38 1.47 2.56 0.00 0.00 0.00 173.10 175.74 3cgl s PRO 53 N -4.14 4.18 0.27 2.90 0.04 -1.26 -5.08 135.00 131.92 3cgl s PRO 53 Ca 0.44 2.46 -0.30 0.00 0.04 0.00 0.00 61.00 63.64 3cgl s PRO 53 Cb -0.09 -3.02 -0.11 0.00 0.04 0.00 0.00 34.50 31.32 3cgl s PRO 53 CO 0.30 -0.47 1.60 -0.51 0.04 0.00 0.00 177.00 177.97 3cgl s LEU 54 N -1.47 4.35 -0.07 -3.56 1.43 -1.26 -4.88 118.68 113.22 3cgl s LEU 54 Ca 0.55 2.91 -0.00 0.00 -1.03 0.00 0.00 54.13 56.56 3cgl s LEU 54 Cb -0.45 -3.63 0.06 0.00 0.03 0.00 0.00 46.19 42.20 3cgl s LEU 54 CO 0.55 -0.91 1.83 -0.81 0.23 0.00 0.00 176.35 177.24 3cgl n PRO 55 N 2.48 1.19 -3.55 1.29 -0.04 -1.26 -4.81 135.00 130.29 3cgl n PRO 55 Ca 0.09 -0.38 -0.08 0.00 -0.04 0.00 0.00 63.50 63.09 3cgl n PRO 55 Cb 0.37 -1.15 -0.02 0.00 -0.04 0.00 0.00 33.50 32.67 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 -0.44 -0.33 0.34 0.54 -0.12 -1.26 -4.76 117.98 111.95 3cgl s PHE 56 Ca 0.07 0.13 -0.29 0.00 -0.05 0.00 0.00 56.93 56.80 3cgl s PHE 56 Cb 0.06 0.57 -0.10 0.00 -0.63 0.00 0.00 43.02 42.91 3cgl s PHE 56 CO 0.00 -0.69 1.34 0.20 -0.05 0.00 0.00 175.22 176.02 3cgl s GLY 57 N -2.64 2.99 0.28 1.99 0.00 0.18 -4.92 107.32 105.20 3cgl s GLY 57 Ca 0.06 1.31 -0.00 0.00 0.00 0.00 0.00 44.72 46.09 3cgl s GLY 57 CO -0.07 1.97 1.88 -0.25 0.00 0.00 0.00 173.10 176.64 3cgl h TRP 58 N 3.32 1.13 0.00 1.90 2.91 -1.92 -3.34 115.95 119.96 3cgl h TRP 58 Ca -0.49 0.03 -0.00 0.00 1.13 0.00 0.00 58.89 59.56 3cgl h TRP 58 Cb 1.23 -0.37 -0.00 0.00 -0.51 0.00 0.00 29.16 29.51 3cgl h TRP 58 CO 0.55 0.56 -0.01 0.45 -1.03 0.00 0.00 178.44 178.97 3cgl h HIS 59 N 1.09 0.00 0.00 2.65 -0.00 -1.91 -1.30 115.15 115.68 3cgl h HIS 59 Ca 0.43 0.00 -0.00 0.00 -0.00 0.00 0.00 60.37 60.80 3cgl h HIS 59 Cb 0.24 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 27.65 3cgl h HIS 59 CO -0.00 0.01 -0.00 -0.84 -0.00 0.00 0.00 177.93 177.10 3cgl h ILE 60 N 0.00 0.14 0.00 2.45 3.07 -1.98 -1.62 117.51 119.57 3cgl h ILE 60 Ca -0.00 -0.04 -0.05 0.00 1.55 0.00 0.00 64.86 66.31 3cgl h ILE 60 Cb 0.02 1.04 -0.01 0.00 -0.27 0.00 0.00 36.82 37.60 3cgl h ILE 60 CO 0.00 0.00 -0.43 -0.07 -1.05 0.00 0.00 178.15 176.60 3cgl h LEU 61 N 0.00 0.00 -0.48 0.16 3.38 -1.51 -3.40 115.31 113.45 3cgl h LEU 61 Ca -0.00 0.00 0.10 0.00 0.09 0.00 0.00 57.88 58.07 3cgl h LEU 61 Cb 0.04 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 40.70 3cgl h LEU 61 CO 0.00 0.24 -0.08 0.00 0.09 0.00 0.00 178.44 178.69 3cgl h PRO 63 N 0.03 0.00 0.07 0.00 0.11 -1.78 -2.57 132.00 127.86 3cgl h PRO 63 Ca 0.24 0.00 -0.24 0.00 0.11 0.00 0.00 66.00 66.10 3cgl h PRO 63 Cb 0.36 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.46 3cgl h PRO 63 CO -0.47 0.00 -1.10 1.96 -0.21 0.00 0.00 178.00 178.18 3cgl h GLN 64 N 0.00 0.18 -3.04 1.05 1.08 -1.20 -3.45 115.11 109.74 3cgl h GLN 64 Ca 0.00 -0.29 -0.40 0.00 -1.45 0.00 0.00 58.65 56.51 3cgl h GLN 64 Cb 0.31 0.10 0.00 0.00 -0.05 0.00 0.00 27.48 27.84 3cgl h GLN 64 CO 0.00 1.11 2.32 1.19 -0.95 0.00 0.00 178.83 182.49 3cgl n PHE 65 N -3.51 1.34 0.00 2.96 0.99 -0.97 -5.03 117.46 113.24 3cgl n PHE 65 Ca -0.05 -2.08 0.00 0.00 -0.00 0.00 0.00 57.45 55.32 3cgl n PHE 65 Cb 0.96 -1.81 0.00 0.00 -1.00 0.00 0.00 39.48 37.63 3cgl n PHE 65 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.76 175.05 3cgl n ASN 69 N 3.65 0.00 -0.34 4.37 5.15 -1.26 -5.05 115.26 121.78 3cgl n ASN 69 Ca 0.51 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.49 3cgl n ASN 69 Cb 0.29 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.54 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 0.63 0.20 1.20 4.76 -1.26 -1.54 118.16 122.15 3cgl n LYS 70 Ca 0.00 0.00 0.14 0.00 -2.87 0.00 0.00 58.31 55.58 3cgl n LYS 70 Cb 0.00 -1.21 0.49 0.00 -1.84 0.00 0.00 35.03 32.46 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 1.83 1.00 -0.80 7.82 0.00 -1.96 -3.26 119.26 123.89 3cgl h ALA 71 Ca 0.00 0.00 -0.62 0.00 0.00 0.00 0.00 54.91 54.29 3cgl h ALA 71 Cb 0.21 0.00 -0.23 0.00 0.00 0.00 0.00 17.79 17.77 3cgl h ALA 71 CO 0.00 0.00 0.76 1.19 0.00 0.00 0.00 179.25 181.20 3cgl n PHE 72 N -2.71 2.47 -5.09 0.00 3.01 -0.59 -4.67 117.46 109.88 3cgl n PHE 72 Ca 0.02 -2.33 -0.30 0.00 1.01 0.00 0.00 57.45 55.86 3cgl n PHE 72 Cb 0.35 -1.27 -0.17 0.00 -0.01 0.00 0.00 39.48 38.38 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 -3.89 1.83 -0.11 -4.37 1.01 -1.23 -4.05 120.40 109.59 3cgl s VAL 73 Ca 0.54 -0.92 -0.29 0.00 0.00 0.00 0.00 61.98 61.31 3cgl s VAL 73 Cb 0.41 -1.57 -0.03 0.00 0.00 0.00 0.00 36.38 35.19 3cgl s VAL 73 CO -0.22 0.51 1.38 -2.28 0.00 0.00 0.00 175.10 174.49 3cgl s HIS 74 N 0.13 2.63 -0.19 5.22 2.46 -0.21 -4.68 115.29 120.65 3cgl s HIS 74 Ca -0.10 0.77 -0.03 0.00 0.47 0.00 0.00 55.06 56.17 3cgl s HIS 74 Cb -0.15 -3.63 -0.01 0.00 -0.13 0.00 0.00 32.58 28.66 3cgl s HIS 74 CO 0.05 -2.35 -0.06 -1.01 -2.47 0.00 0.00 174.74 168.90 3cgl s HIS 75 N 3.45 2.94 0.99 3.88 3.76 -1.26 -0.47 115.29 128.58 3cgl s HIS 75 Ca 0.61 -0.76 -0.12 0.00 -0.15 0.00 0.00 55.06 54.64 3cgl s HIS 75 Cb -0.26 -2.02 0.18 0.00 1.11 0.00 0.00 32.58 31.59 3cgl s HIS 75 CO 0.20 -0.39 1.08 -1.25 -0.85 0.00 0.00 174.74 173.54 3cgl s PRO 76 N 1.05 0.51 0.58 8.40 0.04 -1.26 -4.90 135.00 139.42 3cgl s PRO 76 Ca 0.01 0.90 0.28 0.00 0.04 0.00 0.00 61.00 62.23 3cgl s PRO 76 Cb -0.15 -1.72 1.52 0.00 0.04 0.00 0.00 34.50 34.20 3cgl s PRO 76 CO -0.00 -2.77 1.98 -0.44 0.04 0.00 0.00 177.00 175.80 3cgl h ASP 77 N -1.94 0.00 -0.28 6.66 3.45 -2.00 -2.81 116.42 119.49 3cgl h ASP 77 Ca -0.52 0.00 0.00 0.00 0.43 0.00 0.00 57.03 56.94 3cgl h ASP 77 Cb 1.30 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.07 3cgl h ASP 77 CO 0.52 0.00 0.00 -0.46 -1.57 0.00 0.00 179.24 177.73 3cgl n ASN 78 N -3.86 3.14 -4.13 6.45 2.04 -1.26 -4.76 115.26 112.88 3cgl n ASN 78 Ca 0.07 -1.96 -0.34 0.00 -0.44 0.00 0.00 54.58 51.91 3cgl n ASN 78 Cb 0.55 -0.18 -0.14 0.00 -2.53 0.00 0.00 39.78 37.48 3cgl n ASN 78 CO 0.00 0.00 0.00 -0.63 -0.44 0.00 0.00 177.26 176.19 3cgl s ILE 79 N -1.64 2.66 0.08 1.53 1.01 -1.06 -5.01 121.20 118.76 3cgl s ILE 79 Ca 0.36 -1.51 -0.35 0.00 0.00 0.00 0.00 60.65 59.15 3cgl s ILE 79 Cb 0.22 -2.55 -0.14 0.00 0.01 0.00 0.00 42.46 39.99 3cgl s ILE 79 CO 0.31 -0.09 1.59 1.57 0.00 0.00 0.00 174.94 178.32 3cgl n HIS 80 N 4.54 2.12 -3.19 3.97 -0.00 -1.26 -4.72 115.22 116.68 3cgl n HIS 80 Ca -0.13 0.31 -0.45 0.00 -0.00 0.00 0.00 57.72 57.45 3cgl n HIS 80 Cb 0.43 -2.52 0.00 0.00 -0.00 0.00 0.00 29.99 27.90 3cgl n HIS 80 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.34 172.87 3cgl n ASP 81 N 3.91 5.43 -0.23 0.26 4.64 -1.26 -4.44 116.55 124.86 3cgl n ASP 81 Ca 0.19 -3.02 0.03 0.00 -1.38 0.00 0.00 54.79 50.61 3cgl n ASP 81 Cb 0.26 -1.45 0.13 0.00 -1.04 0.00 0.00 41.12 39.03 3cgl n ASP 81 CO 0.00 0.00 0.00 0.22 -0.82 0.00 0.00 177.20 176.60 3cgl h TYR 82 N 6.79 -0.03 -0.09 -0.67 3.20 -1.89 -1.76 116.97 122.52 3cgl h TYR 82 Ca 0.23 0.05 -0.21 0.00 3.14 0.00 0.00 58.73 61.95 3cgl h TYR 82 Cb 0.87 0.12 0.00 0.00 1.54 0.00 0.00 36.73 39.26 3cgl h TYR 82 CO 0.88 -0.20 -0.78 -0.07 -1.64 0.00 0.00 178.16 176.35 3cgl h LEU 83 N 0.12 0.66 -0.55 2.82 3.38 -1.89 -1.84 115.31 118.00 3cgl h LEU 83 Ca 0.37 -0.45 -0.14 0.00 0.09 0.00 0.00 57.88 57.76 3cgl h LEU 83 Cb 0.63 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 3cgl h LEU 83 CO -0.60 1.21 -0.32 0.11 0.09 0.00 0.00 178.44 178.94 3cgl h LYS 84 N 0.36 0.82 0.00 1.13 1.57 -1.83 -3.16 116.57 115.45 3cgl h LYS 84 Ca -0.05 -0.39 0.00 0.00 -1.87 0.00 0.00 60.65 58.35 3cgl h LYS 84 Cb 1.39 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.69 3cgl h LYS 84 CO 0.14 1.02 0.00 1.28 -0.57 0.00 0.00 179.45 181.32 3cgl n LEU 85 N -4.07 0.00 0.23 2.94 4.77 -0.68 -2.45 117.00 117.73 3cgl n LEU 85 Ca -0.01 0.31 0.12 0.00 -0.03 0.00 0.00 56.01 56.40 3cgl n LEU 85 Cb 0.50 -0.31 0.37 0.00 -2.33 0.00 0.00 43.42 41.65 3cgl n LEU 85 CO 0.46 -0.06 0.81 0.77 -1.33 0.00 0.00 177.39 178.05 3cgl h SER 86 N 0.00 0.00 -3.83 -1.43 4.64 -1.30 -3.46 113.55 108.18 3cgl h SER 86 Ca 0.00 0.00 -0.48 0.00 -0.47 0.00 0.00 61.79 60.84 3cgl h SER 86 Cb 0.25 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.33 3cgl h SER 86 CO 0.00 0.13 0.18 -0.36 -0.87 0.00 0.00 176.83 175.91 3cgl s PHE 87 N -3.42 3.39 -0.29 4.77 0.08 -1.03 -1.57 117.98 119.92 3cgl s PHE 87 Ca 0.03 1.27 0.27 0.00 0.12 0.00 0.00 56.93 58.63 3cgl s PHE 87 Cb 0.08 -2.60 0.84 0.00 -0.57 0.00 0.00 43.02 40.77 3cgl s PHE 87 CO 0.64 -0.04 1.78 -1.00 -0.10 0.00 0.00 175.22 176.49 3cgl h PRO 88 N 1.80 0.00 -0.92 0.24 0.13 -1.88 -3.46 132.00 127.90 3cgl h PRO 88 Ca -0.48 0.00 0.06 0.00 -0.87 0.00 0.00 66.00 64.71 3cgl h PRO 88 Cb 1.18 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.25 3cgl h PRO 88 CO 0.64 0.00 0.59 0.93 -0.23 0.00 0.00 178.00 179.93 3cgl h GLU 89 N 0.00 1.06 0.00 0.86 3.07 -1.90 -3.37 114.58 114.30 3cgl h GLU 89 Ca 0.00 -0.06 0.00 0.00 -0.50 0.00 0.00 59.36 58.80 3cgl h GLU 89 Cb 0.72 -0.24 0.00 0.00 -0.84 0.00 0.00 28.75 28.39 3cgl h GLU 89 CO 0.00 0.70 0.00 0.41 -1.40 0.00 0.00 179.01 178.72 3cgl n GLY 90 N -1.35 -1.79 3.46 -3.84 0.00 -0.61 -4.77 105.19 96.29 3cgl n GLY 90 Ca 0.13 -2.08 -0.09 0.00 0.00 0.00 0.00 46.02 43.98 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 -0.08 0.19 0.10 1.61 -0.85 -1.14 -1.87 117.35 115.31 3cgl s TYR 91 Ca 0.00 -0.54 0.10 0.00 -0.52 0.00 0.00 57.07 56.10 3cgl s TYR 91 Cb 0.00 0.17 -0.04 0.00 0.38 0.00 0.00 41.96 42.47 3cgl s TYR 91 CO 0.00 -0.85 -0.23 0.95 -1.52 0.00 0.00 175.55 173.90 3cgl s THR 92 N -3.94 2.49 0.20 -3.49 -4.23 -0.52 -1.25 115.64 104.90 3cgl s THR 92 Ca 0.15 -1.54 0.09 0.00 -1.18 0.00 0.00 61.69 59.21 3cgl s THR 92 Cb 0.01 -2.08 -0.04 0.00 1.34 0.00 0.00 72.50 71.72 3cgl s THR 92 CO 0.01 0.18 -0.17 -1.66 -0.54 0.00 0.00 174.62 172.43 3cgl s TRP 93 N -1.02 1.84 -0.02 3.99 1.48 0.35 -0.45 118.94 125.12 3cgl s TRP 93 Ca 0.15 -0.49 0.00 0.00 -1.06 0.00 0.00 56.10 54.70 3cgl s TRP 93 Cb -0.10 -0.87 0.03 0.00 -1.16 0.00 0.00 33.47 31.36 3cgl s TRP 93 CO 0.06 0.39 0.01 -1.83 -4.06 0.00 0.00 176.95 171.53 3cgl s GLU 94 N -3.22 0.11 0.00 3.25 -1.05 -0.79 -0.99 118.70 116.00 3cgl s GLU 94 Ca 0.20 0.12 0.01 0.00 -0.15 0.00 0.00 54.97 55.15 3cgl s GLU 94 Cb -0.04 -0.32 -0.00 0.00 -0.44 0.00 0.00 34.13 33.33 3cgl s GLU 94 CO 0.08 -0.14 -0.02 0.50 0.95 0.00 0.00 175.26 176.63 3cgl s ARG 95 N 0.94 0.19 0.02 -4.83 3.52 0.17 -1.29 118.95 117.67 3cgl s ARG 95 Ca -0.08 -0.14 0.08 0.00 -0.13 0.00 0.00 55.73 55.45 3cgl s ARG 95 Cb -0.12 -0.15 -0.03 0.00 -1.56 0.00 0.00 34.95 33.10 3cgl s ARG 95 CO -0.02 0.04 -0.22 -1.54 -0.81 0.00 0.00 175.30 172.75 3cgl s SER 96 N -0.21 3.47 -0.25 -2.12 1.04 -0.23 -0.56 113.70 114.84 3cgl s SER 96 Ca -0.01 -0.47 -0.01 0.00 0.48 0.00 0.00 55.95 55.94 3cgl s SER 96 Cb -0.02 -0.47 0.08 0.00 0.10 0.00 0.00 66.02 65.70 3cgl s SER 96 CO -0.00 0.28 0.03 -0.04 0.98 0.00 0.00 173.24 174.48 3cgl s MET 97 N -1.17 1.05 -0.31 4.02 -1.94 0.71 -1.44 119.30 120.22 3cgl s MET 97 Ca 0.13 -0.92 -0.14 0.00 -1.71 0.00 0.00 55.69 53.04 3cgl s MET 97 Cb -0.10 -2.31 -0.03 0.00 2.01 0.00 0.00 34.83 34.40 3cgl s MET 97 CO 0.03 -0.76 0.34 -1.01 -0.01 0.00 0.00 175.02 173.61 3cgl s HIS 98 N 1.56 3.22 0.25 -0.03 3.76 -0.07 -0.98 115.29 123.01 3cgl s HIS 98 Ca 0.02 0.16 0.03 0.00 -0.15 0.00 0.00 55.06 55.12 3cgl s HIS 98 Cb -0.18 -2.59 -0.03 0.00 1.11 0.00 0.00 32.58 30.89 3cgl s HIS 98 CO -0.13 -0.32 0.40 -0.06 -0.85 0.00 0.00 174.74 173.78 3cgl s PHE 99 N 2.00 3.47 -0.28 1.40 0.40 -0.07 -0.87 117.98 124.02 3cgl s PHE 99 Ca 0.12 0.11 0.27 0.00 -0.60 0.00 0.00 56.93 56.83 3cgl s PHE 99 Cb -0.16 -1.68 1.13 0.00 0.51 0.00 0.00 43.02 42.82 3cgl s PHE 99 CO 0.11 0.37 1.80 1.05 0.70 0.00 0.00 175.22 179.24 3cgl h GLU 100 N 1.25 0.00 -0.55 0.44 4.11 -1.69 -2.01 114.58 116.13 3cgl h GLU 100 Ca -0.51 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.92 3cgl h GLU 100 Cb 1.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 3cgl h GLU 100 CO 0.62 0.00 0.00 -0.40 0.07 0.00 0.00 179.01 179.30 3cgl n ASP 101 N -2.47 4.33 0.00 3.06 3.85 -1.26 -4.95 116.55 119.11 3cgl n ASP 101 Ca 0.01 -2.44 0.00 0.00 -0.71 0.00 0.00 54.79 51.65 3cgl n ASP 101 Cb 0.23 -0.52 0.00 0.00 -1.35 0.00 0.00 41.12 39.48 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 0.81 1.36 3.76 6.12 0.00 -0.76 -4.71 105.19 111.78 3cgl n GLY 102 Ca 0.23 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.28 2.91 -0.02 -0.02 0.00 -1.20 -4.71 107.32 101.99 3cgl s GLY 103 Ca 0.00 1.41 0.01 0.00 0.00 0.00 0.00 44.72 46.14 3cgl s GLY 103 CO 0.00 1.99 -0.01 -2.27 0.00 0.00 0.00 173.10 172.82 3cgl s LEU 104 N -2.98 1.35 -0.05 0.66 2.96 -0.26 -0.89 118.68 119.47 3cgl s LEU 104 Ca 0.64 -0.04 0.04 0.00 -0.22 0.00 0.00 54.13 54.56 3cgl s LEU 104 Cb -0.42 -0.21 -0.02 0.00 0.50 0.00 0.00 46.19 46.03 3cgl s LEU 104 CO 0.53 -0.07 -0.16 0.00 -1.32 0.00 0.00 176.35 175.33 3cgl s ILE 107 N 1.41 0.35 0.15 0.00 1.09 0.27 -1.30 121.20 123.17 3cgl s ILE 107 Ca 0.01 -0.26 0.08 0.00 -1.10 0.00 0.00 60.65 59.37 3cgl s ILE 107 Cb -0.13 -0.31 -0.04 0.00 -1.06 0.00 0.00 42.46 40.92 3cgl s ILE 107 CO -0.06 0.05 -0.17 0.42 -0.10 0.00 0.00 174.94 175.08 3cgl s THR 108 N -0.22 1.67 -0.06 2.92 -4.23 -0.35 0.42 115.64 115.80 3cgl s THR 108 Ca 0.00 -1.88 -0.03 0.00 -1.18 0.00 0.00 61.69 58.61 3cgl s THR 108 Cb -0.02 -1.77 0.03 0.00 1.34 0.00 0.00 72.50 72.08 3cgl s THR 108 CO -0.00 -0.36 0.13 0.21 -0.54 0.00 0.00 174.62 174.05 3cgl s ASN 109 N -2.65 -0.09 -0.25 3.99 3.84 -0.16 -1.27 114.94 118.35 3cgl s ASN 109 Ca 0.14 0.26 -0.06 0.00 0.21 0.00 0.00 52.86 53.41 3cgl s ASN 109 Cb -0.05 0.16 -0.01 0.00 -0.55 0.00 0.00 41.25 40.80 3cgl s ASN 109 CO 0.06 -0.13 0.03 -0.62 -2.79 0.00 0.00 177.10 173.64 3cgl s ASP 110 N 1.03 4.79 -0.17 -4.21 -1.08 -0.99 -0.49 116.67 115.54 3cgl s ASP 110 Ca -0.08 -0.47 -0.03 0.00 -0.52 0.00 0.00 52.55 51.45 3cgl s ASP 110 Cb -0.10 -1.83 -0.02 0.00 -1.46 0.00 0.00 42.92 39.51 3cgl s ASP 110 CO -0.05 -0.08 -0.05 -0.63 0.52 0.00 0.00 175.17 174.87 3cgl s ILE 111 N 1.51 3.60 0.31 4.11 1.01 -0.38 -1.80 121.20 129.57 3cgl s ILE 111 Ca 0.05 -0.45 0.07 0.00 0.00 0.00 0.00 60.65 60.32 3cgl s ILE 111 Cb -0.16 -2.59 -0.06 0.00 0.01 0.00 0.00 42.46 39.67 3cgl s ILE 111 CO 0.00 0.47 -0.05 -0.94 0.00 0.00 0.00 174.94 174.42 3cgl s SER 112 N 0.72 3.05 -0.14 3.58 1.04 -0.76 -2.88 113.70 118.31 3cgl s SER 112 Ca -0.03 -1.22 -0.00 0.00 0.48 0.00 0.00 55.95 55.18 3cgl s SER 112 Cb -0.15 -0.22 0.03 0.00 0.10 0.00 0.00 66.02 65.78 3cgl s SER 112 CO 0.02 -0.34 -0.09 -0.22 0.98 0.00 0.00 173.24 173.59 3cgl s LEU 113 N -3.51 1.48 -0.16 2.42 2.96 -1.26 -1.43 118.68 119.18 3cgl s LEU 113 Ca 0.31 -0.47 0.01 0.00 -0.22 0.00 0.00 54.13 53.76 3cgl s LEU 113 Cb 0.04 -0.97 0.02 0.00 0.50 0.00 0.00 46.19 45.78 3cgl s LEU 113 CO 0.14 -0.12 -0.18 -0.89 -1.32 0.00 0.00 176.35 173.98 3cgl s THR 114 N 1.62 1.85 0.00 3.68 2.01 -1.11 -4.97 115.64 118.71 3cgl s THR 114 Ca 0.04 -0.82 0.00 0.00 0.31 0.00 0.00 61.69 61.22 3cgl s THR 114 Cb -0.13 -1.68 0.00 0.00 0.01 0.00 0.00 72.50 70.69 3cgl s THR 114 CO -0.09 0.51 0.00 0.61 -0.69 0.00 0.00 174.62 174.96 3cgl n GLY 115 N 4.54 3.01 0.97 4.40 0.00 -1.26 -1.90 105.19 114.94 3cgl n GLY 115 Ca -0.19 0.29 0.12 0.00 0.00 0.00 0.00 46.02 46.24 3cgl n GLY 115 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3cgl n ASN 116 N 7.65 2.94 -4.00 1.61 2.85 -1.26 -4.95 115.26 120.10 3cgl n ASN 116 Ca 0.00 -1.93 -0.28 0.00 -0.11 0.00 0.00 54.58 52.26 3cgl n ASN 116 Cb 0.00 -0.12 -0.17 0.00 1.24 0.00 0.00 39.78 40.73 3cgl n ASN 116 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3cgl s PHE 118 N 1.24 3.52 -0.20 0.00 0.40 0.60 -2.76 117.98 120.79 3cgl s PHE 118 Ca -0.02 1.64 0.01 0.00 -0.60 0.00 0.00 56.93 57.97 3cgl s PHE 118 Cb -0.14 -3.33 0.03 0.00 0.51 0.00 0.00 43.02 40.09 3cgl s PHE 118 CO -0.05 -0.72 -0.16 0.71 0.70 0.00 0.00 175.22 175.70 3cgl s TYR 119 N -1.00 2.76 -0.18 0.36 1.51 -0.52 -0.10 117.35 120.19 3cgl s TYR 119 Ca 0.46 -1.74 -0.11 0.00 -1.01 0.00 0.00 57.07 54.67 3cgl s TYR 119 Cb -0.33 -1.85 -0.05 0.00 -0.11 0.00 0.00 41.96 39.63 3cgl s TYR 119 CO 0.41 -0.80 0.18 0.71 -1.11 0.00 0.00 175.55 174.95 3cgl s TYR 120 N 1.29 3.44 -0.45 2.71 4.12 -0.12 -1.83 117.35 126.51 3cgl s TYR 120 Ca 0.01 0.43 0.03 0.00 0.02 0.00 0.00 57.07 57.56 3cgl s TYR 120 Cb -0.15 -2.20 0.12 0.00 -1.52 0.00 0.00 41.96 38.21 3cgl s TYR 120 CO -0.10 0.30 0.18 0.34 0.02 0.00 0.00 175.55 176.29 3cgl s ASP 121 N 0.29 4.58 -0.16 2.29 3.68 -0.74 -1.91 116.67 124.70 3cgl s ASP 121 Ca 0.11 -2.62 -0.06 0.00 2.13 0.00 0.00 52.55 52.11 3cgl s ASP 121 Cb -0.12 -1.65 -0.04 0.00 -1.45 0.00 0.00 42.92 39.66 3cgl s ASP 121 CO 0.00 -0.31 0.06 -0.63 0.13 0.00 0.00 175.17 174.42 3cgl s ILE 122 N 0.26 4.77 -0.14 4.11 1.01 -0.24 -2.35 121.20 128.61 3cgl s ILE 122 Ca 0.14 -0.05 0.02 0.00 0.00 0.00 0.00 60.65 60.77 3cgl s ILE 122 Cb -0.23 -3.12 0.01 0.00 0.01 0.00 0.00 42.46 39.13 3cgl s ILE 122 CO -0.04 0.50 -0.22 -0.54 0.00 0.00 0.00 174.94 174.65 3cgl s LYS 123 N 0.01 3.03 -0.04 2.79 -0.14 -0.40 -1.19 119.74 123.80 3cgl s LYS 123 Ca 0.06 -0.85 0.06 0.00 -1.36 0.00 0.00 55.97 53.87 3cgl s LYS 123 Cb -0.12 -2.44 -0.01 0.00 -1.68 0.00 0.00 37.83 33.57 3cgl s LYS 123 CO 0.01 -0.01 -0.21 0.12 -0.76 0.00 0.00 175.35 174.50 3cgl s PHE 124 N 0.81 1.96 -0.08 3.18 5.36 -0.03 -1.21 117.98 127.99 3cgl s PHE 124 Ca -0.07 -0.51 -0.00 0.00 -0.96 0.00 0.00 56.93 55.39 3cgl s PHE 124 Cb -0.16 -1.29 0.02 0.00 -0.34 0.00 0.00 43.02 41.26 3cgl s PHE 124 CO -0.02 -0.13 -0.04 0.99 -1.46 0.00 0.00 175.22 174.56 3cgl s THR 125 N -0.20 0.65 -0.15 0.12 2.01 -0.42 -1.82 115.64 115.84 3cgl s THR 125 Ca 0.00 -0.10 0.02 0.00 0.31 0.00 0.00 61.69 61.92 3cgl s THR 125 Cb -0.11 -0.72 0.01 0.00 0.01 0.00 0.00 72.50 71.68 3cgl s THR 125 CO 0.02 0.29 -0.19 -0.83 -0.69 0.00 0.00 174.62 173.21 3cgl s GLY 126 N 1.55 1.40 0.05 4.40 0.00 0.36 -0.82 107.32 114.26 3cgl s GLY 126 Ca -0.00 -1.08 0.00 0.00 0.00 0.00 0.00 44.72 43.64 3cgl s GLY 126 CO -0.04 0.00 -0.04 0.48 0.00 0.00 0.00 173.10 173.50 3cgl s LEU 127 N 0.83 2.40 -1.72 0.66 0.05 0.10 -0.44 118.68 120.56 3cgl s LEU 127 Ca -0.06 -0.81 0.00 0.00 0.05 0.00 0.00 54.13 53.31 3cgl s LEU 127 Cb -0.15 0.07 0.00 0.00 -2.05 0.00 0.00 46.19 44.06 3cgl s LEU 127 CO -0.01 -0.44 0.00 -3.20 -0.55 0.00 0.00 176.35 172.14 3cgl n ASN 128 N 0.65 -5.38 -4.70 1.48 5.15 -1.26 -1.11 115.26 110.08 3cgl n ASN 128 Ca -0.17 0.12 -0.41 0.00 -0.60 0.00 0.00 54.58 53.51 3cgl n ASN 128 Cb 0.59 -4.46 -0.04 0.00 -0.53 0.00 0.00 39.78 35.33 3cgl n ASN 128 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 3cgl s PHE 129 N -2.87 3.56 0.57 1.20 0.08 -1.26 -3.26 117.98 115.99 3cgl s PHE 129 Ca 0.00 1.46 -0.17 0.00 0.12 0.00 0.00 56.93 58.33 3cgl s PHE 129 Cb 0.00 -3.02 -0.05 0.00 -0.57 0.00 0.00 43.02 39.39 3cgl s PHE 129 CO 0.00 -0.07 1.07 -1.25 -0.10 0.00 0.00 175.22 174.88 3cgl s PRO 130 N 1.37 3.37 0.30 0.24 0.04 -1.26 -4.95 135.00 134.10 3cgl s PRO 130 Ca 0.44 1.35 0.02 0.00 0.04 0.00 0.00 61.00 62.86 3cgl s PRO 130 Cb -0.19 -2.03 0.46 0.00 0.04 0.00 0.00 34.50 32.79 3cgl s PRO 130 CO 0.20 -0.79 1.78 -1.35 0.04 0.00 0.00 177.00 176.88 3cgl h PRO 131 N 0.81 0.53 -0.02 0.56 0.11 -2.00 -2.73 132.00 129.27 3cgl h PRO 131 Ca -0.48 -0.16 0.00 0.00 0.11 0.00 0.00 66.00 65.47 3cgl h PRO 131 Cb 1.23 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3cgl h PRO 131 CO 0.57 0.66 -0.02 0.09 -0.21 0.00 0.00 178.00 179.10 3cgl n ASN 132 N -4.18 1.72 -4.77 -2.05 3.02 -1.26 -4.17 115.26 103.57 3cgl n ASN 132 Ca 0.01 -1.55 -0.30 0.00 -0.03 0.00 0.00 54.58 52.70 3cgl n ASN 132 Cb 0.34 0.01 0.10 0.00 -0.61 0.00 0.00 39.78 39.62 3cgl n ASN 132 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 3cgl s GLY 133 N -2.03 1.63 0.53 7.41 0.00 -1.03 -4.81 107.32 109.02 3cgl s GLY 133 Ca 0.36 -0.06 0.30 0.00 0.00 0.00 0.00 44.72 45.31 3cgl s GLY 133 CO 0.34 0.36 2.05 -0.56 0.00 0.00 0.00 173.10 175.30 3cgl h PRO 134 N -1.23 0.00 0.30 2.90 0.13 -1.92 -1.27 132.00 130.91 3cgl h PRO 134 Ca -0.47 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.64 3cgl h PRO 134 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 3cgl h PRO 134 CO 0.56 0.11 -0.14 0.28 -0.23 0.00 0.00 178.00 178.58 3cgl h VAL 135 N 0.00 0.51 -0.53 1.56 2.07 -1.92 0.33 116.25 118.27 3cgl h VAL 135 Ca -0.00 -0.81 -0.01 0.00 0.82 0.00 0.00 66.70 66.70 3cgl h VAL 135 Cb 0.39 0.82 -0.03 0.00 -1.52 0.00 0.00 31.29 30.95 3cgl h VAL 135 CO 0.01 0.12 0.30 0.58 0.02 0.00 0.00 177.57 178.60 3cgl h VAL 136 N -0.95 1.17 0.00 2.57 2.07 -1.78 0.51 116.25 119.85 3cgl h VAL 136 Ca -0.04 -0.42 0.00 0.00 0.82 0.00 0.00 66.70 67.06 3cgl h VAL 136 Cb 0.50 0.49 0.00 0.00 -1.52 0.00 0.00 31.29 30.76 3cgl h VAL 136 CO 0.07 0.18 0.00 0.00 0.02 0.00 0.00 177.57 177.84 3cgl n GLN 137 N -4.65 0.14 -3.20 1.57 1.13 -0.49 -4.47 117.38 107.43 3cgl n GLN 137 Ca 0.03 0.15 -0.15 0.00 -1.94 0.00 0.00 57.00 55.08 3cgl n GLN 137 Cb 0.07 -1.50 0.06 0.00 0.11 0.00 0.00 30.24 28.98 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 -1.38 -5.32 -0.12 -1.09 5.02 -0.73 -4.94 118.16 109.61 3cgl n LYS 138 Ca 0.07 0.58 0.10 0.00 -2.02 0.00 0.00 58.31 57.04 3cgl n LYS 138 Cb 0.17 -4.84 0.16 0.00 -0.02 0.00 0.00 35.03 30.49 3cgl n LYS 138 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3cgl n LYS 139 N -3.52 2.19 -2.60 1.97 4.01 0.11 -4.92 118.16 115.40 3cgl n LYS 139 Ca -0.04 -2.02 -0.39 0.00 -0.51 0.00 0.00 58.31 55.35 3cgl n LYS 139 Cb 0.56 -1.43 -0.05 0.00 -0.51 0.00 0.00 35.03 33.60 3cgl n LYS 139 CO 0.00 0.00 0.00 0.95 -1.11 0.00 0.00 177.40 177.24 3cgl s THR 140 N -1.47 3.79 0.00 -0.18 -4.23 -1.22 -0.56 115.64 111.77 3cgl s THR 140 Ca 0.31 1.64 0.00 0.00 -1.18 0.00 0.00 61.69 62.46 3cgl s THR 140 Cb 0.19 -3.98 0.00 0.00 1.34 0.00 0.00 72.50 70.05 3cgl s THR 140 CO 0.27 0.27 0.42 0.35 -0.54 0.00 0.00 174.62 175.39 3cgl n THR 141 N 0.86 0.00 -1.62 3.99 -2.24 -0.57 -4.86 114.28 109.84 3cgl n THR 141 Ca 0.01 -0.48 0.00 0.00 -2.27 0.00 0.00 64.05 61.30 3cgl n THR 141 Cb 0.47 1.03 0.00 0.00 -2.10 0.00 0.00 70.33 69.73 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 0.13 -0.28 3.47 3.38 0.00 -1.26 -4.94 105.19 105.69 3cgl n GLY 142 Ca 0.00 -1.59 -0.30 0.00 0.00 0.00 0.00 46.02 44.13 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 -2.32 2.53 0.70 1.61 0.52 -1.26 -1.61 118.94 119.11 3cgl s TRP 143 Ca 0.00 -0.27 -0.13 0.00 0.02 0.00 0.00 56.10 55.72 3cgl s TRP 143 Cb 0.00 -1.39 0.02 0.00 -1.15 0.00 0.00 33.47 30.95 3cgl s TRP 143 CO 0.00 0.32 1.09 -1.21 0.02 0.00 0.00 176.95 177.18 3cgl s GLU 144 N -1.84 2.62 1.01 4.98 0.41 -0.85 -4.83 118.70 120.21 3cgl s GLU 144 Ca 0.16 1.25 -0.11 0.00 -0.41 0.00 0.00 54.97 55.86 3cgl s GLU 144 Cb -0.10 -1.94 0.20 0.00 -1.78 0.00 0.00 34.13 30.51 3cgl s GLU 144 CO 0.08 -1.37 1.09 -1.25 -0.49 0.00 0.00 175.26 173.32 3cgl s PRO 145 N -4.50 0.29 0.11 0.39 0.04 -1.26 -4.72 135.00 125.35 3cgl s PRO 145 Ca 0.64 1.17 0.02 0.00 0.04 0.00 0.00 61.00 62.87 3cgl s PRO 145 Cb -0.18 -1.67 -0.04 0.00 0.04 0.00 0.00 34.50 32.64 3cgl s PRO 145 CO 0.48 -3.01 -0.07 -1.54 0.04 0.00 0.00 177.00 172.91 3cgl s SER 146 N -2.72 1.24 -0.17 6.66 1.04 0.54 -4.90 113.70 115.40 3cgl s SER 146 Ca 0.67 -1.02 -0.01 0.00 0.48 0.00 0.00 55.95 56.07 3cgl s SER 146 Cb -0.23 0.08 0.04 0.00 0.10 0.00 0.00 66.02 66.02 3cgl s SER 146 CO 0.60 -0.45 -0.04 -0.89 0.98 0.00 0.00 173.24 173.44 3cgl s THR 147 N -3.58 1.06 -0.12 2.02 2.01 -1.26 -1.18 115.64 114.58 3cgl s THR 147 Ca 0.13 -0.64 -0.16 0.00 0.31 0.00 0.00 61.69 61.34 3cgl s THR 147 Cb 0.05 -1.27 -0.05 0.00 0.01 0.00 0.00 72.50 71.24 3cgl s THR 147 CO -0.03 0.08 0.38 -0.70 -0.69 0.00 0.00 174.62 173.66 3cgl s GLU 148 N 1.65 4.24 -0.17 4.92 2.12 0.19 -4.43 118.70 127.23 3cgl s GLU 148 Ca 0.00 0.27 -0.15 0.00 0.36 0.00 0.00 54.97 55.45 3cgl s GLU 148 Cb -0.16 -3.40 -0.04 0.00 0.26 0.00 0.00 34.13 30.79 3cgl s GLU 148 CO -0.08 0.26 0.35 0.50 -0.54 0.00 0.00 175.26 175.76 3cgl s ARG 149 N 0.34 4.25 0.03 4.30 3.00 -0.50 -1.01 118.95 129.35 3cgl s ARG 149 Ca 0.21 0.18 0.06 0.00 -1.00 0.00 0.00 55.73 55.19 3cgl s ARG 149 Cb -0.14 -3.46 -0.02 0.00 0.00 0.00 0.00 34.95 31.32 3cgl s ARG 149 CO 0.08 0.14 -0.19 -0.51 0.00 0.00 0.00 175.30 174.81 3cgl s LEU 150 N 0.77 2.13 0.02 -0.88 1.02 0.13 -0.99 118.68 120.87 3cgl s LEU 150 Ca 0.19 -0.46 -0.09 0.00 0.02 0.00 0.00 54.13 53.79 3cgl s LEU 150 Cb -0.14 -0.92 0.01 0.00 0.02 0.00 0.00 46.19 45.16 3cgl s LEU 150 CO 0.06 0.16 0.19 -0.72 0.02 0.00 0.00 176.35 176.07 3cgl s TYR 151 N -0.70 0.02 0.26 0.29 1.13 -0.40 -1.13 117.35 116.82 3cgl s TYR 151 Ca 0.07 -0.16 -0.19 0.00 -1.41 0.00 0.00 57.07 55.38 3cgl s TYR 151 Cb -0.08 -0.02 -0.09 0.00 -1.10 0.00 0.00 41.96 40.67 3cgl s TYR 151 CO 0.01 -0.38 0.76 -1.25 -2.51 0.00 0.00 175.55 172.18 3cgl s PRO 152 N -2.01 4.23 -0.23 -3.49 0.04 -1.26 -1.38 135.00 130.90 3cgl s PRO 152 Ca -0.09 0.88 -0.16 0.00 0.04 0.00 0.00 61.00 61.67 3cgl s PRO 152 Cb -0.04 -2.76 0.07 0.00 0.04 0.00 0.00 34.50 31.81 3cgl s PRO 152 CO -0.01 0.32 0.58 0.50 0.04 0.00 0.00 177.00 178.43 3cgl s ARG 153 N -2.23 0.61 -1.46 4.56 3.52 0.03 -4.95 118.95 119.04 3cgl s ARG 153 Ca 0.47 0.96 -0.02 0.00 -0.13 0.00 0.00 55.73 57.00 3cgl s ARG 153 Cb -0.15 0.17 0.01 0.00 -1.56 0.00 0.00 34.95 33.41 3cgl s ARG 153 CO 0.20 -0.13 0.18 -0.25 -0.81 0.00 0.00 175.30 174.50 3cgl n ASP 154 N 3.73 -5.13 -0.10 -2.12 10.43 -1.26 -0.82 116.55 121.28 3cgl n ASP 154 Ca -0.19 -0.05 -0.01 0.00 2.57 0.00 0.00 54.79 57.11 3cgl n ASP 154 Cb 0.57 -4.26 -0.01 0.00 1.84 0.00 0.00 41.12 39.27 3cgl n ASP 154 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3cgl n GLY 155 N -1.08 0.46 3.57 0.44 0.00 -1.26 -5.03 105.19 102.30 3cgl n GLY 155 Ca -0.16 -0.16 -0.26 0.00 0.00 0.00 0.00 46.02 45.43 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 -1.82 1.89 -0.13 1.61 -7.23 0.00 -4.71 120.40 110.01 3cgl s VAL 156 Ca 0.00 -2.04 -0.00 0.00 -1.81 0.00 0.00 61.98 58.13 3cgl s VAL 156 Cb 0.00 -2.89 -0.02 0.00 0.56 0.00 0.00 36.38 34.03 3cgl s VAL 156 CO 0.00 -0.04 -0.12 -0.22 -0.31 0.00 0.00 175.10 174.41 3cgl s LEU 157 N -3.65 2.77 -0.14 1.32 2.96 -0.70 -0.79 118.68 120.45 3cgl s LEU 157 Ca 0.35 -0.30 -0.01 0.00 -0.22 0.00 0.00 54.13 53.95 3cgl s LEU 157 Cb 0.08 -1.63 -0.01 0.00 0.50 0.00 0.00 46.19 45.13 3cgl s LEU 157 CO 0.17 0.17 -0.12 -0.63 -1.32 0.00 0.00 176.35 174.63 3cgl s ILE 158 N 0.31 3.13 -0.02 6.68 1.01 -0.48 -0.40 121.20 131.42 3cgl s ILE 158 Ca -0.10 -0.63 0.05 0.00 0.00 0.00 0.00 60.65 59.98 3cgl s ILE 158 Cb -0.16 -2.33 -0.01 0.00 0.01 0.00 0.00 42.46 39.97 3cgl s ILE 158 CO 0.05 0.51 -0.18 -0.83 0.00 0.00 0.00 174.94 174.50 3cgl s GLY 159 N 0.47 0.89 -0.02 6.18 0.00 0.80 -1.27 107.32 114.37 3cgl s GLY 159 Ca -0.09 -0.75 0.03 0.00 0.00 0.00 0.00 44.72 43.91 3cgl s GLY 159 CO 0.04 -0.57 -0.11 0.99 0.00 0.00 0.00 173.10 173.45 3cgl s ASP 160 N -0.31 1.35 -0.05 1.64 1.01 -0.17 -0.19 116.67 119.95 3cgl s ASP 160 Ca 0.04 -0.21 0.02 0.00 0.71 0.00 0.00 52.55 53.11 3cgl s ASP 160 Cb -0.08 -0.29 0.01 0.00 1.01 0.00 0.00 42.92 43.57 3cgl s ASP 160 CO 0.00 0.10 -0.10 -0.63 0.21 0.00 0.00 175.17 174.75 3cgl s ILE 161 N 0.02 0.95 -0.73 0.77 1.01 0.12 -1.41 121.20 121.93 3cgl s ILE 161 Ca -0.01 -0.40 -0.19 0.00 0.00 0.00 0.00 60.65 60.05 3cgl s ILE 161 Cb -0.07 -0.87 0.11 0.00 0.01 0.00 0.00 42.46 41.64 3cgl s ILE 161 CO 0.00 0.31 0.91 -1.00 0.00 0.00 0.00 174.94 175.16 3cgl s HIS 162 N 0.54 3.02 0.52 3.97 3.76 -1.26 -0.69 115.29 125.14 3cgl s HIS 162 Ca -0.10 -1.08 0.07 0.00 -0.15 0.00 0.00 55.06 53.80 3cgl s HIS 162 Cb -0.13 -4.15 0.03 0.00 1.11 0.00 0.00 32.58 29.43 3cgl s HIS 162 CO 0.02 -1.42 0.47 -1.58 -0.85 0.00 0.00 174.74 171.38 3cgl s HIS 163 N 2.83 1.87 -0.22 1.40 2.46 0.15 -4.81 115.29 118.97 3cgl s HIS 163 Ca 0.21 -0.73 -0.26 0.00 0.47 0.00 0.00 55.06 54.75 3cgl s HIS 163 Cb -0.15 -2.04 0.07 0.00 -0.13 0.00 0.00 32.58 30.33 3cgl s HIS 163 CO 0.01 -0.52 0.73 0.00 -2.47 0.00 0.00 174.74 172.49 3cgl s ALA 164 N -2.67 -1.79 0.11 1.58 0.00 -1.26 -1.80 121.76 115.93 3cgl s ALA 164 Ca 0.43 1.87 -0.10 0.00 0.00 0.00 0.00 51.96 54.16 3cgl s ALA 164 Cb -0.03 -0.94 -0.06 0.00 0.00 0.00 0.00 23.12 22.08 3cgl s ALA 164 CO 0.26 -0.34 0.43 -0.51 0.00 0.00 0.00 175.76 175.61 3cgl s LEU 165 N 0.03 4.32 0.53 0.00 1.43 -0.10 -2.01 118.68 122.88 3cgl s LEU 165 Ca -0.02 0.82 -0.13 0.00 -1.03 0.00 0.00 54.13 53.78 3cgl s LEU 165 Cb -0.04 -3.12 -0.06 0.00 0.03 0.00 0.00 46.19 43.01 3cgl s LEU 165 CO 0.02 0.13 0.94 0.42 0.23 0.00 0.00 176.35 178.10 3cgl s THR 166 N -1.47 4.67 0.04 5.49 -4.23 -0.63 -0.32 115.64 119.20 3cgl s THR 166 Ca 0.36 0.91 0.04 0.00 -1.18 0.00 0.00 61.69 61.82 3cgl s THR 166 Cb -0.14 -3.78 -0.02 0.00 1.34 0.00 0.00 72.50 69.90 3cgl s THR 166 CO 0.19 -0.82 -0.12 -0.69 -0.54 0.00 0.00 174.62 172.64 3cgl s VAL 167 N -2.77 0.92 0.27 2.29 1.01 -0.85 -1.52 120.40 119.76 3cgl s VAL 167 Ca 0.55 -1.03 -0.31 0.00 0.00 0.00 0.00 61.98 61.19 3cgl s VAL 167 Cb -0.10 -0.88 -0.12 0.00 0.00 0.00 0.00 36.38 35.27 3cgl s VAL 167 CO 0.40 -0.13 1.51 -0.62 0.00 0.00 0.00 175.10 176.26 3cgl n GLU 168 N 1.72 2.41 0.00 2.72 1.02 0.28 -1.45 120.64 127.34 3cgl n GLU 168 Ca -0.19 0.86 0.00 0.00 -0.02 0.00 0.00 57.16 57.80 3cgl n GLU 168 Cb 0.55 -2.59 0.00 0.00 -0.02 0.00 0.00 31.44 29.38 3cgl n GLU 168 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3cgl n GLY 169 N 2.17 1.32 0.00 0.62 0.00 -1.26 -4.91 105.19 103.13 3cgl n GLY 169 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 -2.00 1.49 0.59 -0.02 0.00 -0.53 -5.14 105.19 99.58 3cgl n GLY 170 Ca 0.00 -2.09 0.00 0.00 0.00 0.00 0.00 46.02 43.93 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 0.57 -2.32 3.24 -0.02 0.00 -1.26 -4.46 105.19 100.94 3cgl n GLY 171 Ca 0.00 -1.55 -0.14 0.00 0.00 0.00 0.00 46.02 44.33 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 -0.91 1.25 -0.26 1.61 0.09 -1.26 -2.00 115.29 113.81 3cgl s HIS 172 Ca 0.00 -0.75 0.00 0.00 -0.00 0.00 0.00 55.06 54.31 3cgl s HIS 172 Cb 0.00 -0.64 0.07 0.00 -0.00 0.00 0.00 32.58 32.02 3cgl s HIS 172 CO 0.00 0.07 -0.00 -0.47 -0.00 0.00 0.00 174.74 174.34 3cgl s TYR 173 N -3.25 2.29 0.36 1.40 6.04 0.57 -4.90 117.35 119.85 3cgl s TYR 173 Ca 0.16 -1.81 -0.16 0.00 0.04 0.00 0.00 57.07 55.29 3cgl s TYR 173 Cb 0.02 -1.72 -0.09 0.00 -1.04 0.00 0.00 41.96 39.13 3cgl s TYR 173 CO 0.00 -0.80 0.80 0.00 -1.54 0.00 0.00 175.55 174.01 3cgl s ALA 174 N 1.43 3.25 -0.02 3.97 0.00 -1.26 -0.92 121.76 128.21 3cgl s ALA 174 Ca -0.00 0.10 -0.08 0.00 0.00 0.00 0.00 51.96 51.98 3cgl s ALA 174 Cb -0.18 -2.86 0.01 0.00 0.00 0.00 0.00 23.12 20.09 3cgl s ALA 174 CO -0.10 0.24 0.18 0.00 0.00 0.00 0.00 175.76 176.07 3cgl s ASP 176 N -1.05 4.29 -0.13 0.00 3.68 -0.05 -0.67 116.67 122.74 3cgl s ASP 176 Ca -0.11 -0.38 0.02 0.00 2.13 0.00 0.00 52.55 54.21 3cgl s ASP 176 Cb -0.06 -1.73 -0.00 0.00 -1.45 0.00 0.00 42.92 39.68 3cgl s ASP 176 CO 0.02 -0.00 -0.19 -0.63 0.13 0.00 0.00 175.17 174.50 3cgl s ILE 177 N 1.37 2.45 -0.09 4.11 1.01 0.14 -0.89 121.20 129.29 3cgl s ILE 177 Ca 0.04 -0.87 0.04 0.00 0.00 0.00 0.00 60.65 59.87 3cgl s ILE 177 Cb -0.14 -1.99 -0.01 0.00 0.01 0.00 0.00 42.46 40.33 3cgl s ILE 177 CO -0.03 0.54 -0.23 -0.75 0.00 0.00 0.00 174.94 174.47 3cgl s LYS 178 N 0.54 2.91 -0.05 2.79 2.20 -0.52 0.13 119.74 127.73 3cgl s LYS 178 Ca -0.12 -0.86 0.04 0.00 -0.36 0.00 0.00 55.97 54.67 3cgl s LYS 178 Cb -0.16 -2.30 0.00 0.00 -1.51 0.00 0.00 37.83 33.86 3cgl s LYS 178 CO 0.04 0.26 -0.16 0.99 -0.36 0.00 0.00 175.35 176.12 3cgl s THR 179 N 0.15 1.40 -0.20 3.43 2.01 0.73 -1.07 115.64 122.09 3cgl s THR 179 Ca -0.12 -0.68 -0.03 0.00 0.31 0.00 0.00 61.69 61.16 3cgl s THR 179 Cb -0.16 -1.22 -0.01 0.00 0.01 0.00 0.00 72.50 71.12 3cgl s THR 179 CO 0.07 0.41 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.65 3cgl s VAL 180 N 0.19 3.36 -0.20 3.82 1.01 -0.41 -0.14 120.40 128.03 3cgl s VAL 180 Ca -0.07 -0.51 -0.05 0.00 0.00 0.00 0.00 61.98 61.34 3cgl s VAL 180 Cb -0.13 -2.50 -0.03 0.00 0.00 0.00 0.00 36.38 33.72 3cgl s VAL 180 CO 0.03 0.45 0.01 -0.31 0.00 0.00 0.00 175.10 175.28 3cgl s TYR 181 N 1.15 3.07 -0.27 5.22 1.51 0.47 -1.89 117.35 126.61 3cgl s TYR 181 Ca 0.02 -0.37 0.03 0.00 -1.01 0.00 0.00 57.07 55.73 3cgl s TYR 181 Cb -0.14 -2.09 0.07 0.00 -0.11 0.00 0.00 41.96 39.68 3cgl s TYR 181 CO -0.01 -0.18 -0.07 1.03 -1.11 0.00 0.00 175.55 175.21 3cgl s ARG 182 N 0.93 1.95 0.42 -0.62 0.52 0.41 -1.72 118.95 120.84 3cgl s ARG 182 Ca 0.02 -1.36 -0.26 0.00 -0.52 0.00 0.00 55.73 53.60 3cgl s ARG 182 Cb -0.14 -2.86 -0.09 0.00 0.52 0.00 0.00 34.95 32.38 3cgl s ARG 182 CO 0.02 -0.65 1.38 0.00 0.02 0.00 0.00 175.30 176.07 3cgl s ALA 183 N 1.14 3.29 0.11 2.13 0.00 -1.26 -1.44 121.76 125.73 3cgl s ALA 183 Ca -0.04 1.38 -0.07 0.00 0.00 0.00 0.00 51.96 53.23 3cgl s ALA 183 Cb -0.20 -3.55 -0.14 0.00 0.00 0.00 0.00 23.12 19.23 3cgl s ALA 183 CO -0.06 -1.02 1.26 0.87 0.00 0.00 0.00 175.76 176.81 3cgl h LYS 184 N 2.56 0.48 -5.54 0.00 1.57 -1.67 -3.42 116.57 110.55 3cgl h LYS 184 Ca -0.50 -0.53 -0.64 0.00 -1.87 0.00 0.00 60.65 57.10 3cgl h LYS 184 Cb 1.25 0.16 -0.09 0.00 0.08 0.00 0.00 32.23 33.63 3cgl h LYS 184 CO 0.62 1.17 -0.47 0.15 -0.57 0.00 0.00 179.45 180.36 3cgl s LYS 185 N -3.23 3.71 0.25 3.15 1.02 -1.26 -5.07 119.74 118.32 3cgl s LYS 185 Ca -0.07 -0.13 -0.31 0.00 0.02 0.00 0.00 55.97 55.49 3cgl s LYS 185 Cb 0.08 -3.27 -0.13 0.00 -0.52 0.00 0.00 37.83 33.99 3cgl s LYS 185 CO 0.88 0.61 1.36 0.00 -0.92 0.00 0.00 175.35 177.28 3cgl n ALA 186 N 2.49 0.94 -2.70 5.17 0.00 -1.26 -4.94 120.51 120.21 3cgl n ALA 186 Ca -0.18 0.41 -0.40 0.00 0.00 0.00 0.00 53.44 53.27 3cgl n ALA 186 Cb 0.54 -2.24 -0.05 0.00 0.00 0.00 0.00 19.45 17.70 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 -0.25 3.41 -2.16 0.00 0.00 -1.26 -4.94 121.76 116.56 3cgl s ALA 187 Ca 0.66 0.02 0.27 0.00 0.00 0.00 0.00 51.96 52.92 3cgl s ALA 187 Cb -0.65 -2.97 1.43 0.00 0.00 0.00 0.00 23.12 20.92 3cgl s ALA 187 CO 0.52 -0.25 1.94 1.47 0.00 0.00 0.00 175.76 179.44 3cgl n LEU 188 N 4.20 0.55 -3.70 0.00 -0.00 -1.26 -4.77 117.00 112.02 3cgl n LEU 188 Ca -0.01 -0.20 -0.11 0.00 -0.00 0.00 0.00 56.01 55.69 3cgl n LEU 188 Cb 0.51 -0.01 -0.12 0.00 -0.00 0.00 0.00 43.42 43.80 3cgl n LEU 188 CO 0.46 0.10 -0.01 -1.59 -0.00 0.00 0.00 177.39 176.35 3cgl s LYS 189 N -1.98 0.32 0.02 1.47 0.00 -1.26 -5.16 119.74 113.15 3cgl s LYS 189 Ca 0.40 0.71 0.07 0.00 0.00 0.00 0.00 55.97 57.16 3cgl s LYS 189 Cb 0.20 -0.05 -0.03 0.00 0.00 0.00 0.00 37.83 37.95 3cgl s LYS 189 CO 0.32 -0.17 -0.21 -1.64 0.00 0.00 0.00 175.35 173.66 3cgl s MET 190 N 1.43 2.07 0.86 1.78 -1.94 -1.26 -4.85 119.30 117.39 3cgl s MET 190 Ca -0.09 -0.97 -0.12 0.00 -1.71 0.00 0.00 55.69 52.81 3cgl s MET 190 Cb -0.09 -2.14 0.11 0.00 2.01 0.00 0.00 34.83 34.71 3cgl s MET 190 CO -0.11 0.55 1.13 -1.25 -0.01 0.00 0.00 175.02 175.32 3cgl s PRO 191 N -1.17 1.55 0.00 2.03 0.04 -1.26 -4.88 135.00 131.31 3cgl s PRO 191 Ca 0.13 0.39 0.00 0.00 0.04 0.00 0.00 61.00 61.55 3cgl s PRO 191 Cb -0.10 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.56 3cgl s PRO 191 CO 0.03 -1.94 0.00 0.41 0.04 0.00 0.00 177.00 175.54 3cgl n GLY 192 N -2.29 1.37 3.70 0.56 0.00 -1.26 -4.34 105.19 102.94 3cgl n GLY 192 Ca 0.07 -1.94 -0.42 0.00 0.00 0.00 0.00 46.02 43.73 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 1.65 2.70 0.12 1.61 5.04 -1.26 -4.47 117.35 122.74 3cgl s TYR 193 Ca 0.00 0.45 -0.11 0.00 -2.44 0.00 0.00 57.07 54.96 3cgl s TYR 193 Cb 0.00 -3.95 0.04 0.00 0.35 0.00 0.00 41.96 38.40 3cgl s TYR 193 CO 0.00 -3.69 0.56 -2.39 -1.34 0.00 0.00 175.55 168.69 3cgl n HIS 194 N 4.87 -1.11 -4.21 4.97 1.44 -0.28 -4.82 115.22 116.07 3cgl n HIS 194 Ca 0.15 -0.75 -0.17 0.00 -2.01 0.00 0.00 57.72 54.94 3cgl n HIS 194 Cb 0.40 0.37 -0.11 0.00 0.12 0.00 0.00 29.99 30.76 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 -4.02 1.25 -0.11 -1.40 1.51 0.73 0.18 117.35 115.48 3cgl s TYR 195 Ca 0.12 -0.58 0.02 0.00 -1.01 0.00 0.00 57.07 55.62 3cgl s TYR 195 Cb -0.02 -0.67 0.01 0.00 -0.11 0.00 0.00 41.96 41.18 3cgl s TYR 195 CO 0.04 0.08 -0.17 0.08 -1.11 0.00 0.00 175.55 174.47 3cgl s VAL 196 N -2.14 1.65 -0.20 0.71 1.01 -0.18 -0.67 120.40 120.59 3cgl s VAL 196 Ca 0.06 -0.74 -0.13 0.00 0.00 0.00 0.00 61.98 61.17 3cgl s VAL 196 Cb -0.05 -1.49 -0.04 0.00 0.00 0.00 0.00 36.38 34.80 3cgl s VAL 196 CO 0.02 0.47 0.28 -1.81 0.00 0.00 0.00 175.10 174.06 3cgl s ASP 197 N 0.90 6.33 0.05 3.32 -0.00 0.43 -0.63 116.67 127.07 3cgl s ASP 197 Ca -0.08 0.38 0.06 0.00 -0.00 0.00 0.00 52.55 52.91 3cgl s ASP 197 Cb -0.15 -2.17 -0.02 0.00 -0.00 0.00 0.00 42.92 40.57 3cgl s ASP 197 CO -0.01 0.03 -0.17 -0.89 -0.00 0.00 0.00 175.17 174.13 3cgl s THR 198 N 0.94 1.36 -0.11 -1.27 2.01 -0.32 -1.05 115.64 117.20 3cgl s THR 198 Ca 0.14 -1.15 -0.01 0.00 0.31 0.00 0.00 61.69 60.99 3cgl s THR 198 Cb -0.14 -1.22 0.03 0.00 0.01 0.00 0.00 72.50 71.18 3cgl s THR 198 CO 0.05 0.05 -0.05 -0.75 -0.69 0.00 0.00 174.62 173.22 3cgl s LYS 199 N -1.28 1.31 -0.13 4.92 2.36 -0.38 -0.34 119.74 126.20 3cgl s LYS 199 Ca 0.04 -0.22 0.02 0.00 -2.55 0.00 0.00 55.97 53.26 3cgl s LYS 199 Cb -0.09 -1.53 -0.00 0.00 -1.05 0.00 0.00 37.83 35.16 3cgl s LYS 199 CO 0.02 -0.31 -0.18 -1.17 1.55 0.00 0.00 175.35 175.26 3cgl s LEU 200 N 1.76 2.38 -0.01 5.43 0.20 -1.26 -1.97 118.68 125.20 3cgl s LEU 200 Ca 0.04 -0.47 0.04 0.00 0.69 0.00 0.00 54.13 54.44 3cgl s LEU 200 Cb -0.13 -1.51 -0.01 0.00 -0.43 0.00 0.00 46.19 44.11 3cgl s LEU 200 CO -0.08 0.13 -0.15 -0.69 -0.29 0.00 0.00 176.35 175.28 3cgl s VAL 201 N 0.52 1.15 -0.27 1.68 1.01 -0.74 -4.44 120.40 119.30 3cgl s VAL 201 Ca -0.12 -0.63 -0.29 0.00 0.00 0.00 0.00 61.98 60.94 3cgl s VAL 201 Cb -0.16 -0.96 0.01 0.00 0.00 0.00 0.00 36.38 35.26 3cgl s VAL 201 CO 0.05 0.32 1.17 -0.63 0.00 0.00 0.00 175.10 176.00 3cgl s ILE 202 N -0.35 4.40 -0.04 2.22 -1.09 -1.26 -1.62 121.20 123.45 3cgl s ILE 202 Ca 0.06 1.63 -0.05 0.00 -2.23 0.00 0.00 60.65 60.06 3cgl s ILE 202 Cb -0.06 -4.25 -0.28 0.00 -1.58 0.00 0.00 42.46 36.30 3cgl s ILE 202 CO -0.01 -0.36 0.68 -0.25 -1.23 0.00 0.00 174.94 173.78 3cgl h TRP 203 N 8.32 0.51 -2.40 3.97 -0.00 -1.04 -3.49 115.95 121.83 3cgl h TRP 203 Ca -0.23 -0.38 -0.05 0.00 -0.00 0.00 0.00 58.89 58.23 3cgl h TRP 203 Cb 1.08 -0.02 -0.17 0.00 -0.00 0.00 0.00 29.16 30.05 3cgl h TRP 203 CO 0.82 1.53 0.16 1.21 -0.00 0.00 0.00 178.44 182.17 3cgl s ASN 204 N -7.03 -0.59 0.03 2.65 3.04 -1.11 -5.00 114.94 106.94 3cgl s ASN 204 Ca -0.14 0.43 -0.21 0.00 0.04 0.00 0.00 52.86 52.98 3cgl s ASN 204 Cb 0.06 0.54 0.05 0.00 -1.54 0.00 0.00 41.25 40.36 3cgl s ASN 204 CO 0.84 -0.72 0.49 0.54 -3.04 0.00 0.00 177.10 175.21 3cgl s ASN 205 N -1.72 -0.40 0.75 -4.21 4.22 -1.26 -1.21 114.94 111.11 3cgl s ASN 205 Ca -0.07 0.17 -0.09 0.00 -2.14 0.00 0.00 52.86 50.73 3cgl s ASN 205 Cb -0.00 0.46 0.07 0.00 1.28 0.00 0.00 41.25 43.06 3cgl s ASN 205 CO 0.02 -0.67 1.08 1.51 -2.04 0.00 0.00 177.10 177.00 3cgl s ASP 206 N -1.85 4.67 0.36 3.54 3.84 -1.09 -4.95 116.67 121.20 3cgl s ASP 206 Ca -0.07 0.58 0.12 0.00 -0.00 0.00 0.00 52.55 53.18 3cgl s ASP 206 Cb -0.01 -1.16 0.92 0.00 -1.38 0.00 0.00 42.92 41.29 3cgl s ASP 206 CO -0.00 -1.73 1.81 0.07 -0.00 0.00 0.00 175.17 175.31 3cgl h LYS 207 N -0.79 0.57 -0.57 2.11 2.10 -2.02 -1.20 116.57 116.77 3cgl h LYS 207 Ca -0.45 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.17 3cgl h LYS 207 Cb 1.32 -0.13 0.00 0.00 -0.90 0.00 0.00 32.23 32.52 3cgl h LYS 207 CO 0.62 0.37 0.00 0.39 -2.00 0.00 0.00 179.45 178.84 3cgl n GLU 208 N -4.65 2.63 -3.74 0.07 4.71 -1.26 -4.97 120.64 113.44 3cgl n GLU 208 Ca 0.22 -2.44 -0.27 0.00 -0.01 0.00 0.00 57.16 54.66 3cgl n GLU 208 Cb 0.66 -1.51 0.06 0.00 -1.01 0.00 0.00 31.44 29.64 3cgl n GLU 208 CO 0.00 0.00 0.00 1.19 0.09 0.00 0.00 177.13 178.41 3cgl n PHE 209 N 1.44 -2.61 0.12 -0.32 3.72 -0.45 -4.59 117.46 114.75 3cgl n PHE 209 Ca 0.21 0.97 0.07 0.00 -0.05 0.00 0.00 57.45 58.64 3cgl n PHE 209 Cb 0.58 -4.57 0.02 0.00 -0.94 0.00 0.00 39.48 34.57 3cgl n PHE 209 CO 0.00 0.00 0.00 0.52 -0.05 0.00 0.00 176.76 177.23 3cgl h MET 210 N -2.42 0.00 -3.67 -1.08 2.86 -1.94 -3.45 114.93 105.24 3cgl h MET 210 Ca -0.58 0.00 -0.38 0.00 -2.06 0.00 0.00 59.70 56.68 3cgl h MET 210 Cb 1.37 0.00 -0.36 0.00 0.06 0.00 0.00 31.60 32.67 3cgl h MET 210 CO 0.61 0.19 -0.75 0.21 1.06 0.00 0.00 176.91 178.22 3cgl s LYS 211 N -3.13 0.38 -0.02 1.72 2.20 -1.26 -1.24 119.74 118.40 3cgl s LYS 211 Ca 0.01 0.12 0.01 0.00 -0.36 0.00 0.00 55.97 55.76 3cgl s LYS 211 Cb 0.08 -0.68 0.01 0.00 -1.51 0.00 0.00 37.83 35.73 3cgl s LYS 211 CO 0.76 -0.22 -0.04 0.08 -0.36 0.00 0.00 175.35 175.57 3cgl s VAL 212 N 1.52 0.39 -0.11 4.02 1.01 -0.30 -2.65 120.40 124.27 3cgl s VAL 212 Ca -0.03 -0.14 0.00 0.00 0.00 0.00 0.00 61.98 61.82 3cgl s VAL 212 Cb -0.13 -0.38 -0.02 0.00 0.00 0.00 0.00 36.38 35.85 3cgl s VAL 212 CO -0.03 0.15 -0.12 -0.70 0.00 0.00 0.00 175.10 174.39 3cgl s GLU 213 N 0.34 3.19 0.02 2.72 2.12 -0.35 0.01 118.70 126.74 3cgl s GLU 213 Ca -0.04 -0.67 0.01 0.00 0.36 0.00 0.00 54.97 54.64 3cgl s GLU 213 Cb -0.07 -2.59 -0.02 0.00 0.26 0.00 0.00 34.13 31.71 3cgl s GLU 213 CO -0.00 0.33 -0.06 -1.83 -0.54 0.00 0.00 175.26 173.16 3cgl s GLU 214 N 0.06 0.42 0.06 4.30 -1.05 -0.27 -0.33 118.70 121.89 3cgl s GLU 214 Ca -0.05 -0.51 0.08 0.00 -0.15 0.00 0.00 54.97 54.35 3cgl s GLU 214 Cb -0.14 -0.23 -0.03 0.00 -0.44 0.00 0.00 34.13 33.28 3cgl s GLU 214 CO 0.04 0.05 -0.21 -1.58 0.95 0.00 0.00 175.26 174.51 3cgl s HIS 215 N -0.92 2.46 -0.04 4.83 5.65 -0.64 -1.35 115.29 125.29 3cgl s HIS 215 Ca -0.07 -0.31 0.01 0.00 0.25 0.00 0.00 55.06 54.94 3cgl s HIS 215 Cb -0.07 -1.41 0.02 0.00 -1.18 0.00 0.00 32.58 29.94 3cgl s HIS 215 CO -0.00 0.24 -0.04 -2.00 -0.65 0.00 0.00 174.74 172.29 3cgl s GLU 216 N -1.51 0.72 -0.07 2.88 2.12 -0.29 -1.79 118.70 120.76 3cgl s GLU 216 Ca 0.14 -0.08 0.04 0.00 0.36 0.00 0.00 54.97 55.43 3cgl s GLU 216 Cb -0.10 -0.75 -0.02 0.00 0.26 0.00 0.00 34.13 33.52 3cgl s GLU 216 CO 0.05 -0.07 -0.19 -1.50 -0.54 0.00 0.00 175.26 173.00 3cgl s ILE 217 N 0.86 2.58 -0.10 -3.70 2.07 -0.83 -1.62 121.20 120.45 3cgl s ILE 217 Ca -0.11 -0.87 -0.07 0.00 -1.41 0.00 0.00 60.65 58.19 3cgl s ILE 217 Cb -0.14 -2.00 0.03 0.00 0.13 0.00 0.00 42.46 40.49 3cgl s ILE 217 CO -0.00 0.57 0.25 0.00 -1.91 0.00 0.00 174.94 173.84 3cgl s ALA 218 N -0.24 -0.59 -0.02 1.50 0.00 0.79 -1.25 121.76 121.94 3cgl s ALA 218 Ca -0.00 0.83 0.02 0.00 0.00 0.00 0.00 51.96 52.81 3cgl s ALA 218 Cb -0.13 -0.51 0.01 0.00 0.00 0.00 0.00 23.12 22.49 3cgl s ALA 218 CO 0.03 -0.15 -0.06 0.08 0.00 0.00 0.00 175.76 175.66 3cgl s VAL 219 N 0.63 0.56 0.23 0.00 1.01 -0.22 -1.04 120.40 121.57 3cgl s VAL 219 Ca -0.04 -0.22 -0.12 0.00 0.00 0.00 0.00 61.98 61.60 3cgl s VAL 219 Cb -0.05 -0.53 -0.07 0.00 0.00 0.00 0.00 36.38 35.72 3cgl s VAL 219 CO -0.04 0.19 0.59 0.00 0.00 0.00 0.00 175.10 175.84 3cgl s ALA 220 N 0.37 3.52 0.10 5.51 0.00 0.38 -0.43 121.76 131.21 3cgl s ALA 220 Ca -0.05 -0.17 -0.25 0.00 0.00 0.00 0.00 51.96 51.49 3cgl s ALA 220 Cb -0.09 -2.52 0.08 0.00 0.00 0.00 0.00 23.12 20.59 3cgl s ALA 220 CO 0.00 0.46 0.71 -0.98 0.00 0.00 0.00 175.76 175.95 3cgl s ARG 221 N -2.62 1.11 0.74 0.00 1.70 0.16 -4.54 118.95 115.50 3cgl s ARG 221 Ca 0.46 -0.41 -0.11 0.00 -0.47 0.00 0.00 55.73 55.20 3cgl s ARG 221 Cb -0.12 0.51 0.04 0.00 -0.57 0.00 0.00 34.95 34.81 3cgl s ARG 221 CO 0.20 -0.48 1.09 -1.01 -1.08 0.00 0.00 175.30 174.01 3cgl s HIS 222 N -3.51 3.06 0.47 5.89 3.76 -1.26 -0.19 115.29 123.50 3cgl s HIS 222 Ca 0.03 1.18 -0.23 0.00 -0.15 0.00 0.00 55.06 55.88 3cgl s HIS 222 Cb -0.01 -3.04 -0.09 0.00 1.11 0.00 0.00 32.58 30.55 3cgl s HIS 222 CO -0.11 -1.46 1.06 1.58 -0.85 0.00 0.00 174.74 174.96 3cgl n HIS 223 N -3.23 1.31 -0.11 1.40 -0.00 -1.26 -4.81 115.22 108.52 3cgl n HIS 223 Ca 0.07 0.51 0.23 0.00 0.46 0.00 0.00 57.72 59.00 3cgl n HIS 223 Cb 0.56 -2.24 0.67 0.00 -0.12 0.00 0.00 29.99 28.86 3cgl n HIS 223 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 3cgl h PRO 224 N 1.40 0.07 -0.62 1.57 0.11 -2.05 -1.58 132.00 130.91 3cgl h PRO 224 Ca -0.46 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3cgl h PRO 224 Cb 1.33 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.43 3cgl h PRO 224 CO 0.56 0.04 0.00 1.19 -0.21 0.00 0.00 178.00 179.58 3cgl n PHE 225 N -4.35 1.82 0.18 0.65 3.72 -1.26 -5.32 117.46 112.90 3cgl n PHE 225 Ca 0.15 -0.66 0.01 0.00 -0.05 0.00 0.00 57.45 56.91 3cgl n PHE 225 Cb 0.77 -0.41 0.09 0.00 -0.94 0.00 0.00 39.48 38.98 3cgl n PHE 225 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 176.76 177.69