#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cgl h VAL 7 N 0.00 0.00 -3.31 -3.33 -1.51 -1.95 -3.42 116.25 102.73 3cgl h VAL 7 Ca 0.00 -0.43 -0.59 0.00 -1.23 0.00 0.00 66.70 64.46 3cgl h VAL 7 Cb 0.00 1.31 -0.08 0.00 -2.13 0.00 0.00 31.29 30.39 3cgl h VAL 7 CO 0.00 0.00 0.61 -0.63 -1.23 0.00 0.00 177.57 176.32 3cgl s ILE 8 N -3.29 4.70 0.32 7.19 -1.09 -1.26 -4.99 121.20 122.78 3cgl s ILE 8 Ca 0.06 1.56 0.07 0.00 -2.23 0.00 0.00 60.65 60.12 3cgl s ILE 8 Cb 0.10 -4.24 -0.02 0.00 -1.58 0.00 0.00 42.46 36.71 3cgl s ILE 8 CO 0.51 -0.27 0.32 -0.54 -1.23 0.00 0.00 174.94 173.73 3cgl s LYS 9 N 3.17 2.85 0.53 2.79 -0.14 -1.26 -5.02 119.74 122.66 3cgl s LYS 9 Ca 0.39 -1.19 0.23 0.00 -1.36 0.00 0.00 55.97 54.04 3cgl s LYS 9 Cb -0.14 -2.57 1.45 0.00 -1.68 0.00 0.00 37.83 34.89 3cgl s LYS 9 CO 0.11 0.13 2.13 0.93 -0.76 0.00 0.00 175.35 177.90 3cgl h GLU 10 N 1.20 0.00 -4.18 1.68 4.39 -1.95 -3.39 114.58 112.33 3cgl h GLU 10 Ca -0.46 0.00 -0.47 0.00 0.34 0.00 0.00 59.36 58.78 3cgl h GLU 10 Cb 1.25 0.00 -0.35 0.00 -0.10 0.00 0.00 28.75 29.55 3cgl h GLU 10 CO 0.58 0.07 -0.79 -1.21 -1.16 0.00 0.00 179.01 176.50 3cgl s GLU 11 N -4.60 1.19 0.06 2.33 0.41 -1.26 -3.86 118.70 112.97 3cgl s GLU 11 Ca -0.04 -0.20 0.02 0.00 -0.41 0.00 0.00 54.97 54.34 3cgl s GLU 11 Cb 0.15 -1.16 -0.03 0.00 -1.78 0.00 0.00 34.13 31.31 3cgl s GLU 11 CO 0.61 -0.11 -0.08 -1.64 -0.49 0.00 0.00 175.26 173.55 3cgl s MET 12 N 1.11 0.65 0.51 1.61 -1.94 -0.50 -4.99 119.30 115.74 3cgl s MET 12 Ca -0.07 -0.94 -0.01 0.00 -1.71 0.00 0.00 55.69 52.96 3cgl s MET 12 Cb -0.14 -0.34 0.01 0.00 2.01 0.00 0.00 34.83 36.37 3cgl s MET 12 CO -0.01 0.05 0.74 -0.51 -0.01 0.00 0.00 175.02 175.28 3cgl s LEU 13 N -1.99 3.46 -0.02 -0.03 1.43 0.06 -0.65 118.68 120.93 3cgl s LEU 13 Ca -0.03 0.27 0.00 0.00 -1.03 0.00 0.00 54.13 53.34 3cgl s LEU 13 Cb -0.06 -3.13 0.02 0.00 0.03 0.00 0.00 46.19 43.05 3cgl s LEU 13 CO -0.01 -0.90 0.00 -0.63 0.23 0.00 0.00 176.35 175.04 3cgl s ILE 14 N -2.70 0.12 -0.11 -0.59 1.01 -0.38 -1.00 121.20 117.56 3cgl s ILE 14 Ca 0.52 0.07 0.01 0.00 0.00 0.00 0.00 60.65 61.25 3cgl s ILE 14 Cb -0.10 -0.20 0.02 0.00 0.01 0.00 0.00 42.46 42.19 3cgl s ILE 14 CO 0.39 0.11 -0.12 -0.62 0.00 0.00 0.00 174.94 174.71 3cgl s ASP 15 N 0.78 2.23 0.01 3.58 3.68 0.49 -0.62 116.67 126.81 3cgl s ASP 15 Ca -0.07 -0.36 0.08 0.00 2.13 0.00 0.00 52.55 54.32 3cgl s ASP 15 Cb -0.11 -0.95 -0.02 0.00 -1.45 0.00 0.00 42.92 40.39 3cgl s ASP 15 CO -0.02 -0.04 -0.23 -0.76 0.13 0.00 0.00 175.17 174.25 3cgl s LEU 16 N 1.26 2.10 -0.05 -1.34 1.02 -0.33 -0.66 118.68 120.69 3cgl s LEU 16 Ca -0.02 -0.48 0.02 0.00 0.02 0.00 0.00 54.13 53.66 3cgl s LEU 16 Cb -0.14 -1.17 0.02 0.00 0.02 0.00 0.00 46.19 44.92 3cgl s LEU 16 CO -0.04 0.25 -0.07 -2.28 0.02 0.00 0.00 176.35 174.23 3cgl s HIS 17 N -0.66 0.99 -0.06 0.29 2.46 0.16 -1.80 115.29 116.66 3cgl s HIS 17 Ca 0.09 -0.31 0.02 0.00 0.47 0.00 0.00 55.06 55.33 3cgl s HIS 17 Cb -0.09 -0.79 0.02 0.00 -0.13 0.00 0.00 32.58 31.58 3cgl s HIS 17 CO 0.00 -0.21 -0.11 -1.17 -2.47 0.00 0.00 174.74 170.79 3cgl s LEU 18 N 0.78 1.57 -0.07 8.88 0.20 -0.07 0.22 118.68 130.19 3cgl s LEU 18 Ca -0.12 -0.27 0.05 0.00 0.69 0.00 0.00 54.13 54.48 3cgl s LEU 18 Cb -0.15 -0.75 -0.01 0.00 -0.43 0.00 0.00 46.19 44.85 3cgl s LEU 18 CO 0.02 0.01 -0.23 -1.61 -0.29 0.00 0.00 176.35 174.24 3cgl s GLU 19 N 0.75 2.65 0.15 1.98 2.02 -0.32 -1.07 118.70 124.86 3cgl s GLU 19 Ca -0.13 -0.87 -0.13 0.00 0.02 0.00 0.00 54.97 53.86 3cgl s GLU 19 Cb -0.15 -2.23 0.01 0.00 0.10 0.00 0.00 34.13 31.86 3cgl s GLU 19 CO 0.03 0.37 0.36 0.20 0.02 0.00 0.00 175.26 176.23 3cgl s GLY 20 N -0.13 0.05 -0.02 -1.39 0.00 -0.08 -0.73 107.32 105.02 3cgl s GLY 20 Ca -0.04 -0.44 0.03 0.00 0.00 0.00 0.00 44.72 44.27 3cgl s GLY 20 CO 0.04 -0.54 -0.10 -1.08 0.00 0.00 0.00 173.10 171.42 3cgl s THR 21 N -3.88 0.86 -0.09 0.90 -1.32 -0.13 -1.07 115.64 110.91 3cgl s THR 21 Ca 0.09 -0.42 -0.01 0.00 -1.21 0.00 0.00 61.69 60.14 3cgl s THR 21 Cb 0.02 -0.75 0.03 0.00 -1.51 0.00 0.00 72.50 70.29 3cgl s THR 21 CO -0.06 0.26 -0.04 0.12 -2.21 0.00 0.00 174.62 172.69 3cgl s PHE 22 N 0.08 1.07 -1.68 9.09 2.19 0.54 -0.53 117.98 128.73 3cgl s PHE 22 Ca -0.01 -0.45 -0.15 0.00 0.33 0.00 0.00 56.93 56.65 3cgl s PHE 22 Cb -0.08 -1.01 0.13 0.00 -1.31 0.00 0.00 43.02 40.75 3cgl s PHE 22 CO 0.00 -0.42 0.60 0.09 1.83 0.00 0.00 175.22 177.32 3cgl n ASN 23 N 5.04 -2.02 0.00 6.13 4.13 -0.43 -0.43 115.26 127.68 3cgl n ASN 23 Ca -0.10 -1.10 0.00 0.00 1.68 0.00 0.00 54.58 55.07 3cgl n ASN 23 Cb 0.50 -2.41 0.00 0.00 -1.54 0.00 0.00 39.78 36.33 3cgl n ASN 23 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3cgl n GLY 24 N -1.55 1.47 3.62 7.41 0.00 -1.26 -5.02 105.19 109.86 3cgl n GLY 24 Ca -0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.60 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 -3.21 3.28 0.24 1.61 5.04 0.43 -5.04 115.29 117.64 3cgl s HIS 25 Ca 0.00 0.60 -0.26 0.00 -1.54 0.00 0.00 55.06 53.86 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 -0.22 0.86 -0.47 -2.34 0.00 0.00 174.74 172.57 3cgl s TYR 26 N 2.08 3.83 0.09 3.88 5.04 -1.26 -0.34 117.35 130.66 3cgl s TYR 26 Ca 0.20 1.72 -0.18 0.00 -2.44 0.00 0.00 57.07 56.37 3cgl s TYR 26 Cb -0.16 -2.85 0.04 0.00 0.35 0.00 0.00 41.96 39.35 3cgl s TYR 26 CO 0.09 0.39 0.42 -0.59 -1.34 0.00 0.00 175.55 174.52 3cgl s PHE 27 N -1.35 -0.26 0.04 4.97 -0.12 -0.23 -4.24 117.98 116.79 3cgl s PHE 27 Ca 0.42 0.09 0.05 0.00 -0.05 0.00 0.00 56.93 57.44 3cgl s PHE 27 Cb -0.22 0.26 -0.02 0.00 -0.63 0.00 0.00 43.02 42.41 3cgl s PHE 27 CO 0.26 -0.65 -0.14 -1.21 -0.05 0.00 0.00 175.22 173.43 3cgl s GLU 28 N -3.16 0.92 -0.02 1.99 2.02 -0.65 -0.90 118.70 118.89 3cgl s GLU 28 Ca -0.01 -0.77 0.01 0.00 0.02 0.00 0.00 54.97 54.22 3cgl s GLU 28 Cb 0.01 -0.93 0.01 0.00 0.10 0.00 0.00 34.13 33.32 3cgl s GLU 28 CO -0.07 0.23 -0.05 0.42 0.02 0.00 0.00 175.26 175.81 3cgl s ILE 29 N -0.88 0.47 0.07 -1.63 1.01 -0.24 -0.67 121.20 119.33 3cgl s ILE 29 Ca 0.01 -0.16 0.05 0.00 0.00 0.00 0.00 60.65 60.55 3cgl s ILE 29 Cb -0.08 -0.46 -0.04 0.00 0.01 0.00 0.00 42.46 41.89 3cgl s ILE 29 CO 0.01 0.18 -0.04 -0.54 0.00 0.00 0.00 174.94 174.55 3cgl s LYS 30 N 0.46 2.45 0.16 2.79 -0.14 0.14 -0.89 119.74 124.71 3cgl s LYS 30 Ca -0.06 -0.85 -0.10 0.00 -1.36 0.00 0.00 55.97 53.61 3cgl s LYS 30 Cb -0.09 -2.48 -0.00 0.00 -1.68 0.00 0.00 37.83 33.57 3cgl s LYS 30 CO -0.00 0.55 0.29 0.20 -0.76 0.00 0.00 175.35 175.63 3cgl s GLY 31 N -2.04 0.39 0.06 -3.33 0.00 -0.75 0.11 107.32 101.77 3cgl s GLY 31 Ca 0.22 -0.80 -0.08 0.00 0.00 0.00 0.00 44.72 44.07 3cgl s GLY 31 CO 0.14 -0.79 0.15 -1.59 0.00 0.00 0.00 173.10 171.02 3cgl s LYS 32 N -3.95 0.73 0.00 2.90 -2.85 -0.22 -1.18 119.74 115.18 3cgl s LYS 32 Ca 0.15 -0.86 0.00 0.00 -1.00 0.00 0.00 55.97 54.27 3cgl s LYS 32 Cb 0.03 0.29 0.00 0.00 -2.06 0.00 0.00 37.83 36.10 3cgl s LYS 32 CO -0.02 -0.21 0.00 0.41 0.10 0.00 0.00 175.35 175.63 3cgl n GLY 33 N 0.32 2.08 3.62 0.59 0.00 0.21 0.19 105.19 112.19 3cgl n GLY 33 Ca -0.17 -0.71 -0.11 0.00 0.00 0.00 0.00 46.02 45.04 3cgl n GLY 33 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3cgl s LYS 34 N 0.83 0.62 0.31 1.61 2.20 -0.58 -1.25 119.74 123.48 3cgl s LYS 34 Ca 0.00 0.63 -0.03 0.00 -0.36 0.00 0.00 55.97 56.21 3cgl s LYS 34 Cb 0.00 0.30 -0.00 0.00 -1.51 0.00 0.00 37.83 36.62 3cgl s LYS 34 CO 0.00 -0.10 0.43 0.20 -0.36 0.00 0.00 175.35 175.52 3cgl s GLY 35 N 0.06 1.39 -0.46 5.54 0.00 0.17 -1.27 107.32 112.76 3cgl s GLY 35 Ca 0.01 -1.47 0.03 0.00 0.00 0.00 0.00 44.72 43.28 3cgl s GLY 35 CO -0.03 -1.01 0.26 1.20 0.00 0.00 0.00 173.10 173.52 3cgl s GLN 36 N -3.34 1.43 0.32 2.90 1.11 0.14 -1.40 119.66 120.82 3cgl s GLN 36 Ca 0.31 -2.17 0.04 0.00 0.01 0.00 0.00 55.36 53.55 3cgl s GLN 36 Cb 0.00 -2.50 0.66 0.00 -1.01 0.00 0.00 33.01 30.16 3cgl s GLN 36 CO 0.18 -1.17 1.87 -1.35 0.01 0.00 0.00 175.29 174.84 3cgl h PRO 37 N 6.59 0.85 0.00 2.91 0.11 -1.75 -0.03 132.00 140.68 3cgl h PRO 37 Ca -0.00 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 66.06 3cgl h PRO 37 Cb 0.91 -0.19 -0.00 0.00 0.11 0.00 0.00 31.00 31.83 3cgl h PRO 37 CO 0.52 0.56 -0.40 -0.91 -0.21 0.00 0.00 178.00 177.56 3cgl h ASN 38 N 0.87 0.00 1.62 -2.05 -0.26 -1.83 -3.15 115.58 110.78 3cgl h ASN 38 Ca 0.44 0.00 -0.00 0.00 -0.56 0.00 0.00 56.30 56.18 3cgl h ASN 38 Cb 0.49 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 37.75 3cgl h ASN 38 CO -0.20 0.01 -0.38 -0.08 -1.06 0.00 0.00 177.43 175.72 3cgl h GLU 39 N 0.00 0.00 0.00 0.81 4.57 -1.57 -3.40 114.58 114.98 3cgl h GLU 39 Ca -0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 3cgl h GLU 39 Cb 1.01 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.60 3cgl h GLU 39 CO 0.00 0.00 0.00 0.41 -1.18 0.00 0.00 179.01 178.24 3cgl n GLY 40 N 1.13 0.59 3.15 1.92 0.00 -0.14 -4.52 105.19 107.32 3cgl n GLY 40 Ca 0.02 -0.79 -0.20 0.00 0.00 0.00 0.00 46.02 45.05 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 -2.00 1.17 0.01 2.61 -4.23 -1.09 -0.10 115.64 112.01 3cgl s THR 41 Ca 0.00 -1.03 -0.26 0.00 -1.18 0.00 0.00 61.69 59.22 3cgl s THR 41 Cb 0.00 -1.05 0.06 0.00 1.34 0.00 0.00 72.50 72.85 3cgl s THR 41 CO 0.00 0.02 0.60 0.54 -0.54 0.00 0.00 174.62 175.23 3cgl s ASN 42 N -1.17 -0.55 -0.03 3.99 2.20 -0.63 0.25 114.94 119.01 3cgl s ASN 42 Ca 0.02 0.43 0.03 0.00 -0.94 0.00 0.00 52.86 52.40 3cgl s ASN 42 Cb -0.08 0.52 0.00 0.00 -2.00 0.00 0.00 41.25 39.69 3cgl s ASN 42 CO 0.01 -0.67 -0.11 -0.89 -2.94 0.00 0.00 177.10 172.50 3cgl s THR 43 N -1.86 0.95 0.05 0.54 2.01 -0.39 -0.92 115.64 116.02 3cgl s THR 43 Ca -0.08 -0.45 0.06 0.00 0.31 0.00 0.00 61.69 61.53 3cgl s THR 43 Cb -0.01 -0.83 -0.03 0.00 0.01 0.00 0.00 72.50 71.65 3cgl s THR 43 CO 0.03 0.29 -0.16 0.68 -0.69 0.00 0.00 174.62 174.78 3cgl s VAL 44 N 0.16 1.24 -0.16 3.82 -7.23 -0.46 -1.53 120.40 116.24 3cgl s VAL 44 Ca -0.03 -1.15 -0.01 0.00 -1.81 0.00 0.00 61.98 58.97 3cgl s VAL 44 Cb -0.09 -1.13 -0.01 0.00 0.56 0.00 0.00 36.38 35.70 3cgl s VAL 44 CO 0.01 -0.03 -0.10 -0.89 -0.31 0.00 0.00 175.10 173.77 3cgl s THR 45 N -0.98 3.13 0.05 5.32 2.01 0.13 -1.33 115.64 123.97 3cgl s THR 45 Ca 0.02 -0.61 0.04 0.00 0.31 0.00 0.00 61.69 61.44 3cgl s THR 45 Cb -0.09 -2.35 -0.04 0.00 0.01 0.00 0.00 72.50 70.03 3cgl s THR 45 CO 0.02 0.49 -0.00 -0.76 -0.69 0.00 0.00 174.62 173.68 3cgl s LEU 46 N 0.77 3.46 -0.05 4.42 2.01 0.20 -1.05 118.68 128.44 3cgl s LEU 46 Ca -0.04 -0.11 0.01 0.00 0.01 0.00 0.00 54.13 53.99 3cgl s LEU 46 Cb -0.15 -2.11 0.02 0.00 0.01 0.00 0.00 46.19 43.96 3cgl s LEU 46 CO 0.01 0.22 -0.05 -1.61 1.01 0.00 0.00 176.35 175.94 3cgl s GLU 47 N -1.98 0.87 -0.09 1.70 2.02 0.12 -1.84 118.70 119.50 3cgl s GLU 47 Ca 0.23 -0.11 -0.30 0.00 0.02 0.00 0.00 54.97 54.81 3cgl s GLU 47 Cb -0.12 -0.89 -0.03 0.00 0.10 0.00 0.00 34.13 33.19 3cgl s GLU 47 CO 0.15 -0.10 1.34 0.08 0.02 0.00 0.00 175.26 176.76 3cgl s VAL 48 N 0.99 4.03 -0.11 2.63 1.01 -0.27 -0.69 120.40 128.00 3cgl s VAL 48 Ca -0.10 1.31 0.15 0.00 0.00 0.00 0.00 61.98 63.35 3cgl s VAL 48 Cb -0.14 -3.85 -0.23 0.00 0.00 0.00 0.00 36.38 32.16 3cgl s VAL 48 CO -0.00 -0.07 0.38 0.35 0.00 0.00 0.00 175.10 175.76 3cgl n THR 49 N 5.06 0.00 -3.77 3.92 -2.24 0.16 -4.90 114.28 112.51 3cgl n THR 49 Ca 0.14 -0.32 -0.13 0.00 -2.27 0.00 0.00 64.05 61.46 3cgl n THR 49 Cb 0.44 0.27 -0.10 0.00 -2.10 0.00 0.00 70.33 68.84 3cgl n THR 49 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3cgl s LYS 50 N -2.97 0.51 -0.72 -0.78 1.02 -1.13 -4.93 119.74 110.75 3cgl s LYS 50 Ca -0.04 0.09 0.00 0.00 0.02 0.00 0.00 55.97 56.03 3cgl s LYS 50 Cb 0.10 0.23 0.00 0.00 -0.52 0.00 0.00 37.83 37.64 3cgl s LYS 50 CO 0.63 -0.11 0.00 0.41 -0.92 0.00 0.00 175.35 175.36 3cgl n GLY 51 N 2.05 0.81 3.81 -3.33 0.00 -1.26 -1.63 105.19 105.64 3cgl n GLY 51 Ca -0.18 -0.72 -0.22 0.00 0.00 0.00 0.00 46.02 44.91 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 -2.90 1.59 0.52 -0.02 0.00 -1.26 -4.07 107.32 101.18 3cgl s GLY 52 Ca 0.00 -1.55 -0.22 0.00 0.00 0.00 0.00 44.72 42.95 3cgl s GLY 52 CO 0.00 -1.54 1.30 2.56 0.00 0.00 0.00 173.10 175.41 3cgl s PRO 53 N -3.88 3.34 0.33 2.90 0.04 -1.26 -5.10 135.00 131.37 3cgl s PRO 53 Ca 0.36 2.08 -0.29 0.00 0.04 0.00 0.00 61.00 63.20 3cgl s PRO 53 Cb -0.07 -2.31 -0.10 0.00 0.04 0.00 0.00 34.50 32.06 3cgl s PRO 53 CO 0.25 -0.98 1.29 -0.51 0.04 0.00 0.00 177.00 177.09 3cgl s LEU 54 N -3.36 4.44 -0.33 -3.56 1.43 -1.26 -4.93 118.68 111.11 3cgl s LEU 54 Ca 0.69 2.66 -0.01 0.00 -1.03 0.00 0.00 54.13 56.44 3cgl s LEU 54 Cb -0.37 -3.65 0.22 0.00 0.03 0.00 0.00 46.19 42.43 3cgl s LEU 54 CO 0.43 -0.51 2.02 -0.81 0.23 0.00 0.00 176.35 177.71 3cgl n PRO 55 N 0.85 1.84 -3.59 1.29 -0.04 -1.26 -4.83 135.00 129.26 3cgl n PRO 55 Ca 0.00 -1.64 -0.08 0.00 -0.04 0.00 0.00 63.50 61.75 3cgl n PRO 55 Cb 0.42 -1.64 -0.02 0.00 -0.04 0.00 0.00 33.50 32.22 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 -1.90 -0.32 0.26 0.54 -0.71 -1.26 -4.74 117.98 109.85 3cgl s PHE 56 Ca 0.32 0.09 -0.30 0.00 -1.04 0.00 0.00 56.93 56.00 3cgl s PHE 56 Cb 0.25 0.59 -0.10 0.00 -1.21 0.00 0.00 43.02 42.56 3cgl s PHE 56 CO -0.00 -0.76 1.31 0.20 -1.34 0.00 0.00 175.22 174.62 3cgl s GLY 57 N -2.71 2.69 0.28 1.99 0.00 0.17 -4.89 107.32 104.84 3cgl s GLY 57 Ca 0.07 1.18 0.01 0.00 0.00 0.00 0.00 44.72 45.98 3cgl s GLY 57 CO -0.05 2.00 1.78 -0.25 0.00 0.00 0.00 173.10 176.57 3cgl h TRP 58 N 4.45 0.93 -0.19 1.90 2.91 -1.92 -3.34 115.95 120.68 3cgl h TRP 58 Ca -0.47 0.03 0.01 0.00 1.13 0.00 0.00 58.89 59.60 3cgl h TRP 58 Cb 1.22 -0.27 -0.01 0.00 -0.51 0.00 0.00 29.16 29.59 3cgl h TRP 58 CO 0.59 0.25 0.13 0.45 -1.03 0.00 0.00 178.44 178.83 3cgl h HIS 59 N 0.74 0.22 -0.04 2.65 -0.00 -1.92 -0.09 115.15 116.71 3cgl h HIS 59 Ca 0.50 0.01 0.01 0.00 -0.00 0.00 0.00 60.37 60.89 3cgl h HIS 59 Cb 0.69 -0.07 -0.00 0.00 -0.00 0.00 0.00 27.41 28.02 3cgl h HIS 59 CO -0.05 0.14 0.06 -0.84 -0.00 0.00 0.00 177.93 177.24 3cgl h ILE 60 N 0.23 0.31 0.00 2.45 3.07 -1.98 -1.45 117.51 120.13 3cgl h ILE 60 Ca 0.07 0.00 -0.06 0.00 1.55 0.00 0.00 64.86 66.42 3cgl h ILE 60 Cb 0.01 0.94 -0.01 0.00 -0.27 0.00 0.00 36.82 37.49 3cgl h ILE 60 CO -0.02 0.00 -0.29 -0.07 -1.05 0.00 0.00 178.15 176.72 3cgl h LEU 61 N 0.00 0.00 -0.11 0.16 3.38 -1.27 -3.40 115.31 114.07 3cgl h LEU 61 Ca 0.02 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.02 3cgl h LEU 61 Cb 0.15 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.86 3cgl h LEU 61 CO -0.00 0.29 -0.09 0.00 0.09 0.00 0.00 178.44 178.73 3cgl h PRO 63 N -0.10 0.00 -0.06 0.00 0.11 -1.77 -2.59 132.00 127.58 3cgl h PRO 63 Ca 0.07 0.00 -0.22 0.00 0.11 0.00 0.00 66.00 65.97 3cgl h PRO 63 Cb 0.21 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.32 3cgl h PRO 63 CO -0.18 0.00 -0.85 1.96 -0.21 0.00 0.00 178.00 178.72 3cgl h GLN 64 N 0.00 0.55 -3.39 1.05 1.08 -1.35 -3.44 115.11 109.60 3cgl h GLN 64 Ca 0.00 -0.51 -0.40 0.00 -1.45 0.00 0.00 58.65 56.29 3cgl h GLN 64 Cb 0.19 0.12 0.02 0.00 -0.05 0.00 0.00 27.48 27.76 3cgl h GLN 64 CO 0.00 1.14 2.71 1.19 -0.95 0.00 0.00 178.83 182.91 3cgl n PHE 65 N -3.84 1.45 0.00 2.96 0.99 -0.98 -5.04 117.46 113.00 3cgl n PHE 65 Ca -0.07 -2.06 0.00 0.00 -0.00 0.00 0.00 57.45 55.33 3cgl n PHE 65 Cb 0.78 -1.74 0.00 0.00 -1.00 0.00 0.00 39.48 37.52 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 4.13 0.00 -0.42 4.37 5.15 -1.26 -5.05 115.26 122.18 3cgl n ASN 69 Ca 0.47 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.45 3cgl n ASN 69 Cb 0.14 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.39 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 0.92 0.22 1.20 4.76 -1.26 -1.93 118.16 122.07 3cgl n LYS 70 Ca 0.00 0.00 0.07 0.00 -2.87 0.00 0.00 58.31 55.51 3cgl n LYS 70 Cb 0.00 -1.39 0.50 0.00 -1.84 0.00 0.00 35.03 32.30 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 2.07 1.33 -0.38 7.82 0.00 -1.96 -3.27 119.26 124.87 3cgl h ALA 71 Ca 0.00 -0.24 -0.60 0.00 0.00 0.00 0.00 54.91 54.07 3cgl h ALA 71 Cb 0.39 -0.04 -0.09 0.00 0.00 0.00 0.00 17.79 18.05 3cgl h ALA 71 CO 0.00 0.32 1.98 1.19 0.00 0.00 0.00 179.25 182.74 3cgl n PHE 72 N -3.88 2.01 -4.61 0.00 3.01 -0.81 -4.72 117.46 108.45 3cgl n PHE 72 Ca -0.02 -2.53 -0.27 0.00 1.01 0.00 0.00 57.45 55.64 3cgl n PHE 72 Cb 0.34 -1.87 -0.17 0.00 -0.01 0.00 0.00 39.48 37.78 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 -0.31 1.38 0.03 -4.37 1.01 -1.23 -4.21 120.40 112.70 3cgl s VAL 73 Ca 0.61 -0.60 -0.30 0.00 0.00 0.00 0.00 61.98 61.68 3cgl s VAL 73 Cb 0.24 -1.25 -0.08 0.00 0.00 0.00 0.00 36.38 35.29 3cgl s VAL 73 CO -0.10 0.41 1.67 -2.28 0.00 0.00 0.00 175.10 174.80 3cgl s HIS 74 N 0.77 2.24 -0.15 5.22 2.46 -0.66 -4.63 115.29 120.54 3cgl s HIS 74 Ca -0.12 0.25 -0.02 0.00 0.47 0.00 0.00 55.06 55.64 3cgl s HIS 74 Cb -0.16 -3.96 -0.02 0.00 -0.13 0.00 0.00 32.58 28.31 3cgl s HIS 74 CO 0.02 -3.93 -0.09 -1.01 -2.47 0.00 0.00 174.74 167.26 3cgl s HIS 75 N 3.11 2.90 0.95 3.88 3.76 -1.26 -0.22 115.29 128.40 3cgl s HIS 75 Ca 0.74 -0.59 -0.12 0.00 -0.15 0.00 0.00 55.06 54.94 3cgl s HIS 75 Cb -0.38 -1.92 0.16 0.00 1.11 0.00 0.00 32.58 31.55 3cgl s HIS 75 CO 0.32 -0.22 1.09 -1.25 -0.85 0.00 0.00 174.74 173.83 3cgl s PRO 76 N 0.53 0.82 0.56 8.40 0.04 -1.26 -4.92 135.00 139.18 3cgl s PRO 76 Ca -0.06 0.84 0.32 0.00 0.04 0.00 0.00 61.00 62.14 3cgl s PRO 76 Cb -0.15 -1.76 1.65 0.00 0.04 0.00 0.00 34.50 34.28 3cgl s PRO 76 CO 0.03 -2.54 2.12 -0.44 0.04 0.00 0.00 177.00 176.21 3cgl h ASP 77 N -1.77 0.00 -0.53 6.66 3.32 -1.99 -2.74 116.42 119.37 3cgl h ASP 77 Ca -0.51 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.54 3cgl h ASP 77 Cb 1.30 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.85 3cgl h ASP 77 CO 0.53 0.07 0.00 -0.46 -1.72 0.00 0.00 179.24 177.66 3cgl n ASN 78 N -3.41 5.01 -3.96 6.45 6.94 -1.26 -4.73 115.26 120.30 3cgl n ASN 78 Ca -0.02 -2.73 -0.29 0.00 -0.02 0.00 0.00 54.58 51.52 3cgl n ASN 78 Cb 0.21 -0.64 -0.16 0.00 -2.36 0.00 0.00 39.78 36.83 3cgl n ASN 78 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 3cgl s ILE 79 N -2.40 1.39 0.24 1.53 1.01 -1.03 -5.00 121.20 116.93 3cgl s ILE 79 Ca 0.48 -0.71 -0.31 0.00 0.00 0.00 0.00 60.65 60.11 3cgl s ILE 79 Cb 0.35 -1.44 -0.11 0.00 0.01 0.00 0.00 42.46 41.27 3cgl s ILE 79 CO 0.16 0.26 1.64 -2.28 0.00 0.00 0.00 174.94 174.72 3cgl s HIS 80 N 1.53 2.86 -1.07 3.97 5.65 -1.26 -4.71 115.29 122.26 3cgl s HIS 80 Ca 0.02 0.59 -0.11 0.00 0.25 0.00 0.00 55.06 55.80 3cgl s HIS 80 Cb -0.15 -4.08 0.24 0.00 -1.18 0.00 0.00 32.58 27.42 3cgl s HIS 80 CO -0.09 -3.85 1.11 0.34 -0.65 0.00 0.00 174.74 171.60 3cgl s ASP 81 N 0.84 7.14 0.26 9.88 -1.08 -1.26 -4.37 116.67 128.08 3cgl s ASP 81 Ca 0.69 -3.23 -0.02 0.00 -0.52 0.00 0.00 52.55 49.47 3cgl s ASP 81 Cb -0.48 -2.26 0.46 0.00 -1.46 0.00 0.00 42.92 39.18 3cgl s ASP 81 CO 0.39 -0.47 1.83 0.22 0.52 0.00 0.00 175.17 177.67 3cgl h TYR 82 N 7.09 1.02 0.04 -5.34 3.20 -1.90 -1.60 116.97 119.48 3cgl h TYR 82 Ca 0.19 0.03 -0.27 0.00 3.14 0.00 0.00 58.73 61.82 3cgl h TYR 82 Cb 0.91 -0.32 0.02 0.00 1.54 0.00 0.00 36.73 38.88 3cgl h TYR 82 CO 0.90 0.43 -1.07 -0.07 -1.64 0.00 0.00 178.16 176.71 3cgl h LEU 83 N 0.93 0.87 -0.64 2.82 3.38 -1.89 -2.20 115.31 118.58 3cgl h LEU 83 Ca 0.44 -0.77 -0.07 0.00 0.09 0.00 0.00 57.88 57.57 3cgl h LEU 83 Cb 0.38 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 3cgl h LEU 83 CO -0.24 1.53 0.13 0.11 0.09 0.00 0.00 178.44 180.06 3cgl h LYS 84 N 0.30 1.04 0.00 1.13 1.57 -1.84 -2.52 116.57 116.26 3cgl h LYS 84 Ca -0.15 -0.27 0.00 0.00 -1.87 0.00 0.00 60.65 58.37 3cgl h LYS 84 Cb 1.74 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.92 3cgl h LYS 84 CO 0.21 0.95 0.00 1.28 -0.57 0.00 0.00 179.45 181.32 3cgl n LEU 85 N -4.28 0.43 0.21 2.94 4.77 -0.62 -2.23 117.00 118.21 3cgl n LEU 85 Ca 0.04 0.62 0.14 0.00 -0.03 0.00 0.00 56.01 56.78 3cgl n LEU 85 Cb 0.27 -0.57 0.52 0.00 -2.33 0.00 0.00 43.42 41.31 3cgl n LEU 85 CO 0.42 -0.50 0.92 0.77 -1.33 0.00 0.00 177.39 177.66 3cgl h SER 86 N 0.00 0.00 -3.68 -1.43 4.64 -0.92 -3.45 113.55 108.71 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 0.28 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.35 3cgl h SER 86 CO 0.00 0.00 0.08 -0.36 -0.87 0.00 0.00 176.83 175.68 3cgl s PHE 87 N -3.44 3.41 0.07 4.77 0.08 -0.95 -0.37 117.98 121.56 3cgl s PHE 87 Ca 0.04 1.11 0.30 0.00 0.12 0.00 0.00 56.93 58.50 3cgl s PHE 87 Cb 0.09 -2.47 1.16 0.00 -0.57 0.00 0.00 43.02 41.23 3cgl s PHE 87 CO 0.52 0.05 1.91 -1.00 -0.10 0.00 0.00 175.22 176.60 3cgl h PRO 88 N 1.94 0.00 -0.41 0.24 0.13 -1.88 -3.46 132.00 128.56 3cgl h PRO 88 Ca -0.48 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.65 3cgl h PRO 88 Cb 1.18 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.29 3cgl h PRO 88 CO 0.65 0.07 0.24 0.93 -0.23 0.00 0.00 178.00 179.66 3cgl h GLU 89 N 0.00 0.56 0.00 0.86 3.07 -1.89 -3.39 114.58 113.79 3cgl h GLU 89 Ca -0.00 -0.05 0.00 0.00 -0.50 0.00 0.00 59.36 58.80 3cgl h GLU 89 Cb 0.62 -0.12 0.00 0.00 -0.84 0.00 0.00 28.75 28.41 3cgl h GLU 89 CO 0.01 0.43 0.00 0.41 -1.40 0.00 0.00 179.01 178.45 3cgl n GLY 90 N -1.06 -1.44 3.67 -3.84 0.00 0.50 -4.75 105.19 98.27 3cgl n GLY 90 Ca 0.01 -2.08 -0.09 0.00 0.00 0.00 0.00 46.02 43.86 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 -0.11 0.16 1.61 -0.85 -1.13 -1.31 117.35 115.71 3cgl s TYR 91 Ca 0.00 -0.27 0.11 0.00 -0.52 0.00 0.00 57.07 56.39 3cgl s TYR 91 Cb 0.00 0.52 -0.04 0.00 0.38 0.00 0.00 41.96 42.82 3cgl s TYR 91 CO 0.00 -1.07 -0.24 0.95 -1.52 0.00 0.00 175.55 173.67 3cgl s THR 92 N -3.91 2.38 0.16 -3.49 -4.23 -0.21 -0.52 115.64 105.82 3cgl s THR 92 Ca 0.11 -1.86 0.07 0.00 -1.18 0.00 0.00 61.69 58.84 3cgl s THR 92 Cb -0.03 -2.10 -0.04 0.00 1.34 0.00 0.00 72.50 71.66 3cgl s THR 92 CO 0.03 -0.01 -0.15 -1.66 -0.54 0.00 0.00 174.62 172.28 3cgl s TRP 93 N -1.36 1.60 -0.02 3.99 1.48 0.07 -0.17 118.94 124.53 3cgl s TRP 93 Ca 0.18 -0.55 0.01 0.00 -1.06 0.00 0.00 56.10 54.68 3cgl s TRP 93 Cb -0.09 -0.80 0.02 0.00 -1.16 0.00 0.00 33.47 31.44 3cgl s TRP 93 CO 0.08 0.25 -0.01 -1.83 -4.06 0.00 0.00 176.95 171.39 3cgl s GLU 94 N -3.04 0.28 -0.02 3.25 -1.05 -0.35 -1.43 118.70 116.35 3cgl s GLU 94 Ca 0.15 0.03 0.01 0.00 -0.15 0.00 0.00 54.97 55.02 3cgl s GLU 94 Cb -0.04 -0.41 0.01 0.00 -0.44 0.00 0.00 34.13 33.25 3cgl s GLU 94 CO 0.05 -0.09 -0.04 0.50 0.95 0.00 0.00 175.26 176.63 3cgl s ARG 95 N 0.75 0.47 -0.02 -4.83 3.52 0.11 -0.34 118.95 118.60 3cgl s ARG 95 Ca -0.07 -0.11 0.03 0.00 -0.13 0.00 0.00 55.73 55.44 3cgl s ARG 95 Cb -0.11 -0.50 -0.03 0.00 -1.56 0.00 0.00 34.95 32.75 3cgl s ARG 95 CO -0.01 0.02 -0.09 -1.54 -0.81 0.00 0.00 175.30 172.87 3cgl s SER 96 N 0.32 4.48 -0.21 -2.12 1.04 -0.08 -0.63 113.70 116.49 3cgl s SER 96 Ca -0.03 -0.14 -0.01 0.00 0.48 0.00 0.00 55.95 56.25 3cgl s SER 96 Cb -0.07 -1.03 0.06 0.00 0.10 0.00 0.00 66.02 65.07 3cgl s SER 96 CO -0.00 0.31 -0.03 -0.04 0.98 0.00 0.00 173.24 174.46 3cgl s MET 97 N -1.13 1.32 -0.28 4.02 1.00 0.41 -0.90 119.30 123.73 3cgl s MET 97 Ca 0.15 -0.72 -0.10 0.00 0.00 0.00 0.00 55.69 55.02 3cgl s MET 97 Cb -0.11 -2.31 -0.04 0.00 0.00 0.00 0.00 34.83 32.37 3cgl s MET 97 CO 0.04 -0.57 0.16 -1.01 0.00 0.00 0.00 175.02 173.65 3cgl s HIS 98 N 1.58 3.19 0.21 -0.03 3.76 -0.21 -1.09 115.29 122.70 3cgl s HIS 98 Ca -0.03 -0.12 -0.02 0.00 -0.15 0.00 0.00 55.06 54.74 3cgl s HIS 98 Cb -0.17 -2.36 -0.05 0.00 1.11 0.00 0.00 32.58 31.11 3cgl s HIS 98 CO -0.07 -0.26 0.42 -0.06 -0.85 0.00 0.00 174.74 173.92 3cgl s PHE 99 N 1.71 3.48 0.62 1.40 0.08 0.33 -0.24 117.98 125.36 3cgl s PHE 99 Ca 0.06 0.43 0.42 0.00 0.12 0.00 0.00 56.93 57.97 3cgl s PHE 99 Cb -0.16 -1.93 2.29 0.00 -0.57 0.00 0.00 43.02 42.65 3cgl s PHE 99 CO 0.09 0.35 2.33 1.05 -0.10 0.00 0.00 175.22 178.94 3cgl h GLU 100 N 2.06 0.00 -0.65 0.44 4.11 -1.62 -1.79 114.58 117.14 3cgl h GLU 100 Ca -0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.95 3cgl h GLU 100 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 3cgl h GLU 100 CO 0.68 0.00 0.00 -0.40 0.07 0.00 0.00 179.01 179.37 3cgl n ASP 101 N -3.17 4.66 0.00 3.06 5.68 -1.26 -4.94 116.55 120.58 3cgl n ASP 101 Ca -0.03 -2.41 0.00 0.00 -0.50 0.00 0.00 54.79 51.85 3cgl n ASP 101 Cb 0.09 -0.56 0.00 0.00 -1.14 0.00 0.00 41.12 39.51 3cgl n ASP 101 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3cgl n GLY 102 N 1.13 1.75 3.66 6.12 0.00 -0.67 -4.71 105.19 112.48 3cgl n GLY 102 Ca 0.25 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.84 3cgl n GLY 102 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cgl n GLY 103 N -2.00 0.48 2.89 -0.02 0.00 -1.19 -4.71 105.19 100.64 3cgl n GLY 103 Ca 0.00 0.39 -0.18 0.00 0.00 0.00 0.00 46.02 46.23 3cgl n GLY 103 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3cgl s LEU 104 N -0.30 1.40 -0.02 0.99 2.96 -0.07 -0.51 118.68 123.14 3cgl s LEU 104 Ca 0.61 -0.10 0.05 0.00 -0.22 0.00 0.00 54.13 54.48 3cgl s LEU 104 Cb -0.63 -0.36 -0.03 0.00 0.50 0.00 0.00 46.19 45.67 3cgl s LEU 104 CO 0.57 -0.04 -0.16 0.00 -1.32 0.00 0.00 176.35 175.39 3cgl s ILE 107 N 1.74 0.71 0.10 0.00 1.09 0.20 -1.20 121.20 123.82 3cgl s ILE 107 Ca 0.05 -0.50 0.06 0.00 -1.10 0.00 0.00 60.65 59.15 3cgl s ILE 107 Cb -0.13 -0.62 -0.03 0.00 -1.06 0.00 0.00 42.46 40.62 3cgl s ILE 107 CO -0.07 0.12 -0.15 0.42 -0.10 0.00 0.00 174.94 175.15 3cgl s THR 108 N -0.38 1.29 -0.03 2.92 -4.23 -0.43 0.06 115.64 114.84 3cgl s THR 108 Ca 0.02 -1.51 0.00 0.00 -1.18 0.00 0.00 61.69 59.03 3cgl s THR 108 Cb -0.04 -1.33 0.02 0.00 1.34 0.00 0.00 72.50 72.49 3cgl s THR 108 CO -0.00 -0.28 -0.00 0.21 -0.54 0.00 0.00 174.62 174.01 3cgl s ASN 109 N -2.05 0.39 -0.31 3.99 3.84 -0.51 -0.89 114.94 119.39 3cgl s ASN 109 Ca 0.04 -0.03 -0.07 0.00 0.21 0.00 0.00 52.86 53.01 3cgl s ASN 109 Cb -0.08 -0.20 0.02 0.00 -0.55 0.00 0.00 41.25 40.43 3cgl s ASN 109 CO 0.03 -0.09 0.11 -0.62 -2.79 0.00 0.00 177.10 173.73 3cgl s ASP 110 N 0.93 5.27 -0.24 -4.21 3.68 -0.88 -0.75 116.67 120.47 3cgl s ASP 110 Ca -0.09 -0.81 -0.09 0.00 2.13 0.00 0.00 52.55 53.69 3cgl s ASP 110 Cb -0.13 -1.90 -0.04 0.00 -1.45 0.00 0.00 42.92 39.39 3cgl s ASP 110 CO -0.02 -0.24 0.13 -0.63 0.13 0.00 0.00 175.17 174.54 3cgl s ILE 111 N 1.50 5.04 0.37 4.11 1.01 0.32 -2.09 121.20 131.45 3cgl s ILE 111 Ca 0.02 0.07 0.05 0.00 0.00 0.00 0.00 60.65 60.79 3cgl s ILE 111 Cb -0.18 -3.35 -0.07 0.00 0.01 0.00 0.00 42.46 38.88 3cgl s ILE 111 CO 0.03 0.35 0.04 -0.94 0.00 0.00 0.00 174.94 174.43 3cgl s SER 112 N 1.12 3.04 -0.04 3.58 1.04 -0.29 -2.86 113.70 119.30 3cgl s SER 112 Ca 0.06 -1.39 0.01 0.00 0.48 0.00 0.00 55.95 55.11 3cgl s SER 112 Cb -0.14 -0.19 0.02 0.00 0.10 0.00 0.00 66.02 65.81 3cgl s SER 112 CO 0.04 -0.55 -0.02 -0.22 0.98 0.00 0.00 173.24 173.47 3cgl s LEU 113 N -3.59 1.25 -0.05 2.42 2.96 -1.26 -0.19 118.68 120.22 3cgl s LEU 113 Ca 0.35 -0.07 -0.00 0.00 -0.22 0.00 0.00 54.13 54.19 3cgl s LEU 113 Cb 0.09 -0.32 0.03 0.00 0.50 0.00 0.00 46.19 46.48 3cgl s LEU 113 CO 0.16 -0.08 -0.00 -0.89 -1.32 0.00 0.00 176.35 174.22 3cgl s THR 114 N 0.96 0.28 0.00 3.68 2.01 -0.60 -4.98 115.64 116.99 3cgl s THR 114 Ca -0.11 0.10 0.00 0.00 0.31 0.00 0.00 61.69 61.99 3cgl s THR 114 Cb -0.14 -0.40 0.00 0.00 0.01 0.00 0.00 72.50 71.97 3cgl s THR 114 CO -0.01 0.20 0.00 0.61 -0.69 0.00 0.00 174.62 174.73 3cgl n GLY 115 N 4.58 3.60 1.05 4.40 0.00 -1.26 -1.93 105.19 115.63 3cgl n GLY 115 Ca -0.17 -0.06 -0.00 0.00 0.00 0.00 0.00 46.02 45.78 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 8.16 2.89 -4.03 1.61 5.15 -1.26 -4.98 115.26 122.80 3cgl n ASN 116 Ca 0.00 -3.52 -0.29 0.00 -0.60 0.00 0.00 54.58 50.17 3cgl n ASN 116 Cb 0.00 -0.60 -0.17 0.00 -0.53 0.00 0.00 39.78 38.48 3cgl n ASN 116 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3cgl s PHE 118 N 1.22 3.44 -0.14 0.00 0.08 -0.17 -1.55 117.98 120.85 3cgl s PHE 118 Ca -0.02 1.65 0.01 0.00 0.12 0.00 0.00 56.93 58.70 3cgl s PHE 118 Cb -0.14 -3.32 -0.00 0.00 -0.57 0.00 0.00 43.02 38.99 3cgl s PHE 118 CO -0.05 -0.77 -0.17 0.71 -0.10 0.00 0.00 175.22 174.83 3cgl s TYR 119 N -1.25 2.73 -0.15 0.36 2.02 0.73 -0.38 117.35 121.41 3cgl s TYR 119 Ca 0.48 -1.04 -0.03 0.00 -0.37 0.00 0.00 57.07 56.11 3cgl s TYR 119 Cb -0.31 -1.84 -0.02 0.00 -0.40 0.00 0.00 41.96 39.38 3cgl s TYR 119 CO 0.40 -0.46 -0.06 0.71 -1.57 0.00 0.00 175.55 174.58 3cgl s TYR 120 N 0.69 2.97 -0.48 2.71 2.02 0.17 -1.13 117.35 124.29 3cgl s TYR 120 Ca -0.08 -0.39 0.00 0.00 -0.37 0.00 0.00 57.07 56.23 3cgl s TYR 120 Cb -0.16 -1.93 0.13 0.00 -0.40 0.00 0.00 41.96 39.60 3cgl s TYR 120 CO 0.02 -0.08 0.25 0.34 -1.57 0.00 0.00 175.55 174.51 3cgl s ASP 121 N 0.35 4.93 -0.15 2.29 2.15 -0.89 -0.66 116.67 124.69 3cgl s ASP 121 Ca -0.06 -2.53 -0.06 0.00 0.43 0.00 0.00 52.55 50.33 3cgl s ASP 121 Cb -0.15 -1.75 -0.04 0.00 -0.30 0.00 0.00 42.92 40.69 3cgl s ASP 121 CO 0.04 -0.39 0.05 -0.63 -0.17 0.00 0.00 175.17 174.07 3cgl s ILE 122 N 0.41 4.69 -0.14 4.11 1.01 0.13 -2.07 121.20 129.33 3cgl s ILE 122 Ca 0.13 -0.08 0.02 0.00 0.00 0.00 0.00 60.65 60.72 3cgl s ILE 122 Cb -0.22 -3.07 0.01 0.00 0.01 0.00 0.00 42.46 39.19 3cgl s ILE 122 CO -0.04 0.52 -0.21 -0.54 0.00 0.00 0.00 174.94 174.67 3cgl s LYS 123 N -0.09 2.95 -0.08 2.79 -0.14 -0.07 -1.17 119.74 123.94 3cgl s LYS 123 Ca 0.06 -0.83 0.05 0.00 -1.36 0.00 0.00 55.97 53.89 3cgl s LYS 123 Cb -0.12 -2.41 -0.00 0.00 -1.68 0.00 0.00 37.83 33.62 3cgl s LYS 123 CO 0.01 -0.04 -0.24 0.12 -0.76 0.00 0.00 175.35 174.44 3cgl s PHE 124 N 0.88 2.45 -0.11 3.18 2.19 0.09 -1.31 117.98 125.35 3cgl s PHE 124 Ca -0.06 -0.89 -0.00 0.00 0.33 0.00 0.00 56.93 56.31 3cgl s PHE 124 Cb -0.15 -1.63 0.02 0.00 -1.31 0.00 0.00 43.02 39.96 3cgl s PHE 124 CO -0.03 -0.33 -0.08 0.99 1.83 0.00 0.00 175.22 177.59 3cgl s THR 125 N 0.15 1.06 -0.12 0.12 2.01 -0.34 -0.95 115.64 117.56 3cgl s THR 125 Ca -0.12 -0.32 -0.00 0.00 0.31 0.00 0.00 61.69 61.55 3cgl s THR 125 Cb -0.16 -1.07 -0.02 0.00 0.01 0.00 0.00 72.50 71.27 3cgl s THR 125 CO 0.07 0.37 -0.12 -0.83 -0.69 0.00 0.00 174.62 173.42 3cgl s GLY 126 N 1.59 1.56 0.07 4.40 0.00 0.31 -0.86 107.32 114.39 3cgl s GLY 126 Ca 0.03 -0.89 -0.09 0.00 0.00 0.00 0.00 44.72 43.78 3cgl s GLY 126 CO -0.07 -0.23 0.18 0.48 0.00 0.00 0.00 173.10 173.46 3cgl s LEU 127 N 0.24 1.43 -1.78 0.66 0.05 0.74 -1.31 118.68 118.71 3cgl s LEU 127 Ca -0.08 -0.54 0.00 0.00 0.05 0.00 0.00 54.13 53.56 3cgl s LEU 127 Cb -0.15 0.97 0.00 0.00 -2.05 0.00 0.00 46.19 44.96 3cgl s LEU 127 CO 0.05 -0.65 0.00 -3.20 -0.55 0.00 0.00 176.35 172.00 3cgl n ASN 128 N 0.28 -5.37 -4.69 1.48 5.15 -1.26 -0.89 115.26 109.95 3cgl n ASN 128 Ca -0.17 0.19 -0.42 0.00 -0.60 0.00 0.00 54.58 53.58 3cgl n ASN 128 Cb 0.61 -4.47 -0.03 0.00 -0.53 0.00 0.00 39.78 35.36 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 -2.84 3.42 0.51 1.20 0.40 -1.26 -3.20 117.98 116.20 3cgl s PHE 129 Ca 0.00 1.47 -0.21 0.00 -0.60 0.00 0.00 56.93 57.59 3cgl s PHE 129 Cb 0.00 -3.26 -0.06 0.00 0.51 0.00 0.00 43.02 40.21 3cgl s PHE 129 CO 0.00 -0.58 1.19 -2.14 0.70 0.00 0.00 175.22 174.39 3cgl s PRO 130 N 2.02 3.46 0.54 0.24 0.02 -1.26 -4.93 135.00 135.09 3cgl s PRO 130 Ca 0.51 1.82 0.32 0.00 0.02 0.00 0.00 61.00 63.67 3cgl s PRO 130 Cb -0.21 -2.23 1.43 0.00 0.02 0.00 0.00 34.50 33.52 3cgl s PRO 130 CO 0.20 -0.81 2.02 -1.00 -0.33 0.00 0.00 177.00 177.07 3cgl h PRO 131 N 1.60 0.00 -0.53 5.54 0.13 -2.00 -2.41 132.00 134.33 3cgl h PRO 131 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 3cgl h PRO 131 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 3cgl h PRO 131 CO 0.58 0.06 0.00 0.09 -0.23 0.00 0.00 178.00 178.50 3cgl n ASN 132 N -3.22 3.61 -4.79 1.44 5.03 -1.26 -4.39 115.26 111.67 3cgl n ASN 132 Ca -0.00 -1.98 -0.31 0.00 0.87 0.00 0.00 54.58 53.16 3cgl n ASN 132 Cb 0.29 -0.35 0.07 0.00 -1.02 0.00 0.00 39.78 38.77 3cgl n ASN 132 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 3cgl s GLY 133 N -1.20 1.67 0.59 7.41 0.00 -0.91 -4.85 107.32 110.03 3cgl s GLY 133 Ca 0.41 0.16 0.29 0.00 0.00 0.00 0.00 44.72 45.58 3cgl s GLY 133 CO 0.30 0.49 2.25 -0.56 0.00 0.00 0.00 173.10 175.59 3cgl h PRO 134 N -0.95 0.00 0.39 2.90 0.13 -1.94 -0.81 132.00 131.72 3cgl h PRO 134 Ca -0.44 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.67 3cgl h PRO 134 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 3cgl h PRO 134 CO 0.54 0.00 -0.19 0.28 -0.23 0.00 0.00 178.00 178.41 3cgl h VAL 135 N 0.00 0.12 -0.80 1.56 2.07 -1.93 0.34 116.25 117.61 3cgl h VAL 135 Ca -0.00 -0.65 0.00 0.00 0.82 0.00 0.00 66.70 66.87 3cgl h VAL 135 Cb 0.01 0.20 -0.04 0.00 -1.52 0.00 0.00 31.29 29.94 3cgl h VAL 135 CO 0.00 0.03 0.52 0.58 0.02 0.00 0.00 177.57 178.72 3cgl h VAL 136 N -1.11 1.21 0.00 2.57 2.07 -1.80 0.50 116.25 119.70 3cgl h VAL 136 Ca -0.05 -0.41 0.00 0.00 0.82 0.00 0.00 66.70 67.05 3cgl h VAL 136 Cb 0.44 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.26 3cgl h VAL 136 CO 0.09 0.21 0.00 0.00 0.02 0.00 0.00 177.57 177.89 3cgl n GLN 137 N -4.51 0.74 -3.79 1.57 1.13 -0.31 -4.47 117.38 107.74 3cgl n GLN 137 Ca 0.08 0.00 -0.23 0.00 -1.94 0.00 0.00 57.00 54.91 3cgl n GLN 137 Cb 0.03 -1.44 0.01 0.00 0.11 0.00 0.00 30.24 28.95 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 -0.94 -4.33 0.00 -1.09 5.02 -0.65 -4.91 118.16 111.26 3cgl n LYS 138 Ca 0.16 0.54 0.07 0.00 -2.02 0.00 0.00 58.31 57.06 3cgl n LYS 138 Cb 0.07 -4.95 0.04 0.00 -0.02 0.00 0.00 35.03 30.17 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 -4.32 1.35 -2.56 1.97 4.76 0.11 -4.94 118.16 114.54 3cgl n LYS 139 Ca -0.30 -1.14 -0.38 0.00 -2.87 0.00 0.00 58.31 53.62 3cgl n LYS 139 Cb 0.68 -1.26 -0.04 0.00 -1.84 0.00 0.00 35.03 32.57 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 -1.42 3.72 0.00 -0.18 -4.23 -1.21 -0.08 115.64 112.24 3cgl s THR 140 Ca 0.15 1.44 0.00 0.00 -1.18 0.00 0.00 61.69 62.10 3cgl s THR 140 Cb 0.12 -3.80 0.00 0.00 1.34 0.00 0.00 72.50 70.16 3cgl s THR 140 CO 0.25 0.13 0.14 0.35 -0.54 0.00 0.00 174.62 174.94 3cgl n THR 141 N 0.36 0.00 -2.55 3.99 -2.24 0.16 -4.84 114.28 109.16 3cgl n THR 141 Ca 0.03 -0.44 0.00 0.00 -2.27 0.00 0.00 64.05 61.37 3cgl n THR 141 Cb 0.48 1.04 0.00 0.00 -2.10 0.00 0.00 70.33 69.75 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 0.61 -0.87 3.53 3.38 0.00 -1.25 -4.95 105.19 105.64 3cgl n GLY 142 Ca 0.00 -1.43 -0.31 0.00 0.00 0.00 0.00 46.02 44.28 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 -2.60 2.73 0.82 1.61 0.52 -1.26 -0.83 118.94 119.92 3cgl s TRP 143 Ca 0.00 -0.14 -0.10 0.00 0.02 0.00 0.00 56.10 55.87 3cgl s TRP 143 Cb 0.00 -1.54 0.08 0.00 -1.15 0.00 0.00 33.47 30.86 3cgl s TRP 143 CO 0.00 0.31 1.11 -1.21 0.02 0.00 0.00 176.95 177.18 3cgl s GLU 144 N -1.43 1.89 0.88 4.98 0.41 -0.82 -4.83 118.70 119.77 3cgl s GLU 144 Ca 0.16 1.27 -0.11 0.00 -0.41 0.00 0.00 54.97 55.88 3cgl s GLU 144 Cb -0.11 -1.85 0.13 0.00 -1.78 0.00 0.00 34.13 30.52 3cgl s GLU 144 CO 0.07 -1.94 1.17 -2.14 -0.49 0.00 0.00 175.26 171.93 3cgl s PRO 145 N -4.83 1.21 0.13 0.39 0.02 -1.26 -4.77 135.00 125.89 3cgl s PRO 145 Ca 0.63 1.62 0.00 0.00 0.02 0.00 0.00 61.00 63.27 3cgl s PRO 145 Cb -0.19 -1.74 -0.04 0.00 0.02 0.00 0.00 34.50 32.55 3cgl s PRO 145 CO 0.57 -2.50 0.01 -1.54 -0.33 0.00 0.00 177.00 173.20 3cgl s SER 146 N -2.51 0.75 -0.15 2.53 1.04 0.33 -4.92 113.70 110.78 3cgl s SER 146 Ca 0.69 -1.13 -0.01 0.00 0.48 0.00 0.00 55.95 55.97 3cgl s SER 146 Cb -0.25 0.19 0.04 0.00 0.10 0.00 0.00 66.02 66.11 3cgl s SER 146 CO 0.56 -0.62 -0.02 -0.89 0.98 0.00 0.00 173.24 173.24 3cgl s THR 147 N -3.84 0.83 -0.11 2.02 2.01 -1.26 -0.74 115.64 114.56 3cgl s THR 147 Ca 0.19 -0.45 -0.16 0.00 0.31 0.00 0.00 61.69 61.59 3cgl s THR 147 Cb 0.07 -1.07 -0.05 0.00 0.01 0.00 0.00 72.50 71.46 3cgl s THR 147 CO -0.00 0.09 0.40 -0.70 -0.69 0.00 0.00 174.62 173.71 3cgl s GLU 148 N 1.75 4.21 -0.19 4.92 2.12 0.11 -4.40 118.70 127.22 3cgl s GLU 148 Ca 0.01 0.32 -0.16 0.00 0.36 0.00 0.00 54.97 55.50 3cgl s GLU 148 Cb -0.15 -3.38 -0.04 0.00 0.26 0.00 0.00 34.13 30.82 3cgl s GLU 148 CO -0.07 0.30 0.38 0.50 -0.54 0.00 0.00 175.26 175.83 3cgl s ARG 149 N 0.19 4.19 0.06 4.30 3.00 -0.10 -1.01 118.95 129.59 3cgl s ARG 149 Ca 0.22 0.19 0.09 0.00 -1.00 0.00 0.00 55.73 55.23 3cgl s ARG 149 Cb -0.15 -3.52 -0.03 0.00 0.00 0.00 0.00 34.95 31.26 3cgl s ARG 149 CO 0.09 0.01 -0.25 -0.51 0.00 0.00 0.00 175.30 174.64 3cgl s LEU 150 N 1.15 2.20 -0.02 -0.88 1.02 0.96 -1.13 118.68 121.99 3cgl s LEU 150 Ca 0.19 -0.61 -0.18 0.00 0.02 0.00 0.00 54.13 53.55 3cgl s LEU 150 Cb -0.14 -1.18 0.03 0.00 0.02 0.00 0.00 46.19 44.92 3cgl s LEU 150 CO 0.07 0.21 0.39 -0.72 0.02 0.00 0.00 176.35 176.32 3cgl s TYR 151 N -0.87 -0.28 0.28 0.29 -0.85 -0.62 -0.93 117.35 114.37 3cgl s TYR 151 Ca 0.11 0.43 -0.19 0.00 -0.52 0.00 0.00 57.07 56.90 3cgl s TYR 151 Cb -0.10 0.16 -0.09 0.00 0.38 0.00 0.00 41.96 42.32 3cgl s TYR 151 CO 0.03 -0.44 0.77 -1.25 -1.52 0.00 0.00 175.55 173.14 3cgl s PRO 152 N -1.37 4.22 -0.24 -3.49 0.04 -1.26 -1.33 135.00 131.58 3cgl s PRO 152 Ca -0.13 0.89 -0.09 0.00 0.04 0.00 0.00 61.00 61.71 3cgl s PRO 152 Cb -0.04 -2.68 0.10 0.00 0.04 0.00 0.00 34.50 31.91 3cgl s PRO 152 CO 0.05 0.28 0.52 0.50 0.04 0.00 0.00 177.00 178.39 3cgl s ARG 153 N -2.37 0.45 -1.48 4.56 6.06 0.15 -4.95 118.95 121.37 3cgl s ARG 153 Ca 0.49 1.16 -0.06 0.00 -2.50 0.00 0.00 55.73 54.82 3cgl s ARG 153 Cb -0.14 0.45 0.01 0.00 0.06 0.00 0.00 34.95 35.32 3cgl s ARG 153 CO 0.20 -0.21 0.81 -0.25 -2.50 0.00 0.00 175.30 173.34 3cgl n ASP 154 N 5.17 -6.22 0.00 -2.12 10.43 -1.26 -0.62 116.55 121.93 3cgl n ASP 154 Ca -0.12 -0.37 0.00 0.00 2.57 0.00 0.00 54.79 56.86 3cgl n ASP 154 Cb 0.51 -4.97 0.00 0.00 1.84 0.00 0.00 41.12 38.50 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 -1.70 0.28 3.65 0.44 0.00 -1.26 -5.00 105.19 101.60 3cgl n GLY 155 Ca -0.07 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.60 1.84 -0.08 1.61 -7.23 0.21 -4.69 120.40 110.47 3cgl s VAL 156 Ca 0.00 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.21 3cgl s VAL 156 Cb 0.00 -2.84 -0.02 0.00 0.56 0.00 0.00 36.38 34.08 3cgl s VAL 156 CO 0.00 0.00 -0.18 -0.22 -0.31 0.00 0.00 175.10 174.39 3cgl s LEU 157 N -3.74 2.49 -0.13 1.32 2.96 -0.83 -0.67 118.68 120.07 3cgl s LEU 157 Ca 0.29 -0.35 0.03 0.00 -0.22 0.00 0.00 54.13 53.88 3cgl s LEU 157 Cb 0.08 -1.50 0.00 0.00 0.50 0.00 0.00 46.19 45.27 3cgl s LEU 157 CO 0.15 0.25 -0.22 -0.63 -1.32 0.00 0.00 176.35 174.59 3cgl s ILE 158 N -0.20 2.15 -0.02 6.68 1.01 -0.44 -0.44 121.20 129.94 3cgl s ILE 158 Ca -0.01 -0.96 0.07 0.00 0.00 0.00 0.00 60.65 59.75 3cgl s ILE 158 Cb -0.13 -1.85 -0.02 0.00 0.01 0.00 0.00 42.46 40.47 3cgl s ILE 158 CO 0.03 0.55 -0.23 -0.83 0.00 0.00 0.00 174.94 174.46 3cgl s GLY 159 N 0.64 1.13 -0.01 6.18 0.00 0.49 -1.59 107.32 114.16 3cgl s GLY 159 Ca -0.11 -1.00 0.03 0.00 0.00 0.00 0.00 44.72 43.65 3cgl s GLY 159 CO 0.02 -0.82 -0.11 0.99 0.00 0.00 0.00 173.10 173.18 3cgl s ASP 160 N -0.53 1.32 -0.03 1.64 1.11 -0.28 -0.34 116.67 119.56 3cgl s ASP 160 Ca 0.09 -0.20 0.03 0.00 0.18 0.00 0.00 52.55 52.64 3cgl s ASP 160 Cb -0.09 -0.17 0.00 0.00 1.07 0.00 0.00 42.92 43.73 3cgl s ASP 160 CO -0.01 0.13 -0.10 -0.63 1.18 0.00 0.00 175.17 175.74 3cgl s ILE 161 N -0.21 0.89 -0.48 0.77 1.01 0.80 -0.92 121.20 123.05 3cgl s ILE 161 Ca 0.03 -0.42 -0.14 0.00 0.00 0.00 0.00 60.65 60.12 3cgl s ILE 161 Cb -0.05 -0.78 0.09 0.00 0.01 0.00 0.00 42.46 41.73 3cgl s ILE 161 CO -0.00 0.27 0.40 -1.00 0.00 0.00 0.00 174.94 174.61 3cgl s HIS 162 N 0.16 3.27 0.50 3.97 3.76 -1.26 -0.84 115.29 124.84 3cgl s HIS 162 Ca -0.03 -1.15 0.02 0.00 -0.15 0.00 0.00 55.06 53.74 3cgl s HIS 162 Cb -0.09 -3.33 -0.02 0.00 1.11 0.00 0.00 32.58 30.26 3cgl s HIS 162 CO 0.01 -0.87 0.01 -1.58 -0.85 0.00 0.00 174.74 171.46 3cgl s HIS 163 N 1.59 1.89 -0.28 1.40 5.04 -0.54 -4.79 115.29 119.59 3cgl s HIS 163 Ca 0.04 -0.97 -0.22 0.00 -1.54 0.00 0.00 55.06 52.37 3cgl s HIS 163 Cb -0.26 -1.58 0.11 0.00 0.04 0.00 0.00 32.58 30.90 3cgl s HIS 163 CO 0.05 0.19 0.90 0.00 -2.34 0.00 0.00 174.74 173.54 3cgl s ALA 164 N -2.90 -1.99 0.26 1.58 0.00 -1.26 -1.58 121.76 115.87 3cgl s ALA 164 Ca 0.09 2.07 -0.20 0.00 0.00 0.00 0.00 51.96 53.92 3cgl s ALA 164 Cb 0.02 -1.45 -0.09 0.00 0.00 0.00 0.00 23.12 21.61 3cgl s ALA 164 CO 0.05 -0.30 0.76 -0.51 0.00 0.00 0.00 175.76 175.76 3cgl s LEU 165 N 0.73 4.27 0.28 0.00 1.43 -0.38 -1.93 118.68 123.08 3cgl s LEU 165 Ca -0.02 1.46 -0.20 0.00 -1.03 0.00 0.00 54.13 54.33 3cgl s LEU 165 Cb -0.05 -3.77 -0.09 0.00 0.03 0.00 0.00 46.19 42.31 3cgl s LEU 165 CO -0.09 -0.04 0.79 0.42 0.23 0.00 0.00 176.35 177.66 3cgl s THR 166 N -1.65 4.51 0.08 5.49 -4.23 -0.01 -0.66 115.64 119.17 3cgl s THR 166 Ca 0.47 1.33 0.09 0.00 -1.18 0.00 0.00 61.69 62.40 3cgl s THR 166 Cb -0.15 -3.81 -0.03 0.00 1.34 0.00 0.00 72.50 69.84 3cgl s THR 166 CO 0.20 0.06 -0.23 -0.69 -0.54 0.00 0.00 174.62 173.42 3cgl s VAL 167 N -1.70 2.43 0.32 2.29 1.01 -0.30 -0.67 120.40 123.78 3cgl s VAL 167 Ca 0.48 -1.47 -0.27 0.00 0.00 0.00 0.00 61.98 60.72 3cgl s VAL 167 Cb -0.15 -2.03 -0.13 0.00 0.00 0.00 0.00 36.38 34.07 3cgl s VAL 167 CO 0.20 0.24 1.08 1.21 0.00 0.00 0.00 175.10 177.83 3cgl n GLU 168 N 1.33 1.56 -0.92 2.72 2.13 0.89 -2.05 120.64 126.30 3cgl n GLU 168 Ca -0.17 0.55 0.00 0.00 0.66 0.00 0.00 57.16 58.20 3cgl n GLU 168 Cb 0.52 -2.00 0.00 0.00 0.27 0.00 0.00 31.44 30.24 3cgl n GLU 168 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3cgl n GLY 169 N 1.10 0.45 0.41 8.31 0.00 -1.26 -4.81 105.19 109.39 3cgl n GLY 169 Ca 0.08 -0.82 0.03 0.00 0.00 0.00 0.00 46.02 45.31 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 -2.92 -2.95 0.00 -0.02 0.00 -0.87 -5.11 105.19 93.32 3cgl n GLY 170 Ca 0.00 -1.28 0.00 0.00 0.00 0.00 0.00 46.02 44.74 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 -2.35 2.40 3.24 -0.02 0.00 -1.26 -4.68 105.19 102.52 3cgl n GLY 171 Ca -0.02 -2.05 -0.21 0.00 0.00 0.00 0.00 46.02 43.75 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 -2.34 1.52 -0.30 1.61 0.09 -1.26 -1.15 115.29 113.46 3cgl s HIS 172 Ca 0.00 -0.47 0.02 0.00 -0.00 0.00 0.00 55.06 54.61 3cgl s HIS 172 Cb 0.00 -0.82 0.09 0.00 -0.00 0.00 0.00 32.58 31.84 3cgl s HIS 172 CO 0.00 0.16 0.02 -0.47 -0.00 0.00 0.00 174.74 174.45 3cgl s TYR 173 N -1.49 2.89 0.36 1.40 5.04 0.17 -4.90 117.35 120.82 3cgl s TYR 173 Ca 0.05 -2.33 -0.21 0.00 -2.44 0.00 0.00 57.07 52.14 3cgl s TYR 173 Cb -0.08 -2.22 -0.10 0.00 0.35 0.00 0.00 41.96 39.91 3cgl s TYR 173 CO 0.04 -0.88 0.88 0.00 -1.34 0.00 0.00 175.55 174.24 3cgl s ALA 174 N 1.21 3.18 -0.01 3.97 0.00 -1.26 -1.25 121.76 127.59 3cgl s ALA 174 Ca 0.05 0.32 -0.06 0.00 0.00 0.00 0.00 51.96 52.27 3cgl s ALA 174 Cb -0.19 -3.04 0.00 0.00 0.00 0.00 0.00 23.12 19.90 3cgl s ALA 174 CO -0.11 0.20 0.12 0.00 0.00 0.00 0.00 175.76 175.98 3cgl s ASP 176 N -0.90 5.46 -0.15 0.00 -1.08 0.67 -1.46 116.67 119.21 3cgl s ASP 176 Ca -0.10 -0.37 -0.02 0.00 -0.52 0.00 0.00 52.55 51.55 3cgl s ASP 176 Cb -0.06 -1.99 -0.02 0.00 -1.46 0.00 0.00 42.92 39.40 3cgl s ASP 176 CO 0.01 -0.13 -0.10 -0.63 0.52 0.00 0.00 175.17 174.85 3cgl s ILE 177 N 1.63 3.28 -0.11 4.11 1.01 -0.02 -1.04 121.20 130.06 3cgl s ILE 177 Ca 0.05 -0.57 0.03 0.00 0.00 0.00 0.00 60.65 60.16 3cgl s ILE 177 Cb -0.16 -2.41 -0.01 0.00 0.01 0.00 0.00 42.46 39.89 3cgl s ILE 177 CO 0.06 0.50 -0.20 -0.75 0.00 0.00 0.00 174.94 174.55 3cgl s LYS 178 N 0.55 3.11 -0.06 2.79 2.20 -0.08 -0.14 119.74 128.12 3cgl s LYS 178 Ca -0.06 -0.81 0.03 0.00 -0.36 0.00 0.00 55.97 54.77 3cgl s LYS 178 Cb -0.15 -2.41 0.01 0.00 -1.51 0.00 0.00 37.83 33.76 3cgl s LYS 178 CO 0.03 0.22 -0.15 0.99 -0.36 0.00 0.00 175.35 176.09 3cgl s THR 179 N 0.27 1.29 -0.17 3.43 2.01 0.54 -0.90 115.64 122.10 3cgl s THR 179 Ca -0.14 -0.60 -0.03 0.00 0.31 0.00 0.00 61.69 61.23 3cgl s THR 179 Cb -0.17 -1.14 -0.02 0.00 0.01 0.00 0.00 72.50 71.19 3cgl s THR 179 CO 0.07 0.38 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.63 3cgl s VAL 180 N 0.36 3.45 -0.21 3.82 1.01 0.53 -0.38 120.40 128.99 3cgl s VAL 180 Ca -0.10 -0.50 -0.04 0.00 0.00 0.00 0.00 61.98 61.34 3cgl s VAL 180 Cb -0.14 -2.52 -0.02 0.00 0.00 0.00 0.00 36.38 33.71 3cgl s VAL 180 CO 0.03 0.48 -0.02 -0.31 0.00 0.00 0.00 175.10 175.28 3cgl s TYR 181 N 0.74 2.99 -0.25 5.22 1.51 0.42 -1.21 117.35 126.77 3cgl s TYR 181 Ca -0.03 -0.68 0.03 0.00 -1.01 0.00 0.00 57.07 55.38 3cgl s TYR 181 Cb -0.15 -2.09 0.06 0.00 -0.11 0.00 0.00 41.96 39.67 3cgl s TYR 181 CO 0.02 -0.38 -0.12 1.03 -1.11 0.00 0.00 175.55 174.99 3cgl s ARG 182 N 1.21 2.29 0.31 -0.62 0.52 0.76 -1.96 118.95 121.46 3cgl s ARG 182 Ca 0.03 -1.30 -0.29 0.00 -0.52 0.00 0.00 55.73 53.65 3cgl s ARG 182 Cb -0.14 -2.86 -0.13 0.00 0.52 0.00 0.00 34.95 32.34 3cgl s ARG 182 CO -0.00 -0.54 1.35 0.00 0.02 0.00 0.00 175.30 176.13 3cgl n ALA 183 N 4.45 1.35 0.17 2.13 0.00 -1.26 -1.04 120.51 126.32 3cgl n ALA 183 Ca -0.15 0.38 0.03 0.00 0.00 0.00 0.00 53.44 53.71 3cgl n ALA 183 Cb 0.43 -2.28 0.29 0.00 0.00 0.00 0.00 19.45 17.89 3cgl n ALA 183 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3cgl h LYS 184 N 3.19 0.00 -6.55 0.00 1.57 -1.50 -3.43 116.57 109.85 3cgl h LYS 184 Ca -0.46 0.00 -0.69 0.00 -1.87 0.00 0.00 60.65 57.63 3cgl h LYS 184 Cb 1.28 0.00 -0.25 0.00 0.08 0.00 0.00 32.23 33.33 3cgl h LYS 184 CO 0.67 0.44 -0.83 0.15 -0.57 0.00 0.00 179.45 179.32 3cgl s LYS 185 N -3.64 2.14 0.05 3.15 3.01 -1.26 -5.07 119.74 118.12 3cgl s LYS 185 Ca -0.00 -0.92 -0.37 0.00 -1.01 0.00 0.00 55.97 53.67 3cgl s LYS 185 Cb 0.12 -2.16 -0.16 0.00 -1.01 0.00 0.00 37.83 34.61 3cgl s LYS 185 CO 0.71 0.56 1.41 0.00 0.51 0.00 0.00 175.35 178.54 3cgl n ALA 186 N 2.02 -0.67 -1.77 5.17 0.00 -1.26 -4.91 120.51 119.09 3cgl n ALA 186 Ca -0.16 0.49 -0.37 0.00 0.00 0.00 0.00 53.44 53.40 3cgl n ALA 186 Cb 0.52 -2.12 -0.01 0.00 0.00 0.00 0.00 19.45 17.84 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 0.89 2.91 -0.31 0.00 0.00 -1.26 -4.94 121.76 119.05 3cgl s ALA 187 Ca 0.86 0.93 0.23 0.00 0.00 0.00 0.00 51.96 53.97 3cgl s ALA 187 Cb -0.94 -3.39 0.02 0.00 0.00 0.00 0.00 23.12 18.82 3cgl s ALA 187 CO 0.48 -0.71 1.03 1.28 0.00 0.00 0.00 175.76 177.84 3cgl n LEU 188 N -0.66 0.73 -3.74 0.00 4.32 -1.26 -4.92 117.00 111.48 3cgl n LEU 188 Ca 0.08 0.25 -0.10 0.00 -0.02 0.00 0.00 56.01 56.22 3cgl n LEU 188 Cb 0.48 -0.07 -0.05 0.00 -1.62 0.00 0.00 43.42 42.16 3cgl n LEU 188 CO 0.47 -0.13 0.15 -1.59 -1.22 0.00 0.00 177.39 175.07 3cgl s LYS 189 N -3.33 1.17 0.06 3.23 -2.85 -1.26 -5.18 119.74 111.58 3cgl s LYS 189 Ca 0.00 -0.85 0.07 0.00 -1.00 0.00 0.00 55.97 54.19 3cgl s LYS 189 Cb 0.11 0.46 -0.03 0.00 -2.06 0.00 0.00 37.83 36.31 3cgl s LYS 189 CO 0.79 -0.47 -0.19 -1.64 0.10 0.00 0.00 175.35 173.94 3cgl s MET 190 N -3.86 1.19 0.89 1.78 -1.94 -1.26 -4.88 119.30 111.22 3cgl s MET 190 Ca 0.07 -0.99 -0.12 0.00 -1.71 0.00 0.00 55.69 52.95 3cgl s MET 190 Cb 0.01 -1.33 0.12 0.00 2.01 0.00 0.00 34.83 35.65 3cgl s MET 190 CO -0.07 0.33 1.11 -1.25 -0.01 0.00 0.00 175.02 175.13 3cgl s PRO 191 N -1.45 1.33 0.00 2.03 0.04 -1.26 -4.84 135.00 130.85 3cgl s PRO 191 Ca 0.06 0.48 0.00 0.00 0.04 0.00 0.00 61.00 61.57 3cgl s PRO 191 Cb -0.09 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.60 3cgl s PRO 191 CO 0.03 -2.11 0.00 0.41 0.04 0.00 0.00 177.00 175.37 3cgl n GLY 192 N -1.91 0.60 3.67 0.56 0.00 -1.26 -4.37 105.19 102.49 3cgl n GLY 192 Ca 0.06 -1.84 -0.42 0.00 0.00 0.00 0.00 46.02 43.82 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 1.01 2.18 0.12 1.61 6.14 -1.26 -4.56 117.35 122.58 3cgl s TYR 193 Ca 0.00 0.31 -0.03 0.00 0.64 0.00 0.00 57.07 57.98 3cgl s TYR 193 Cb 0.00 -3.88 0.01 0.00 0.42 0.00 0.00 41.96 38.51 3cgl s TYR 193 CO 0.00 -3.64 0.22 -2.39 0.64 0.00 0.00 175.55 170.38 3cgl n HIS 194 N 6.63 -1.24 -4.17 4.97 1.44 -0.11 -4.79 115.22 117.96 3cgl n HIS 194 Ca 0.16 -0.61 -0.12 0.00 -2.01 0.00 0.00 57.72 55.15 3cgl n HIS 194 Cb 0.42 0.25 -0.10 0.00 0.12 0.00 0.00 29.99 30.68 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 -6.26 0.97 -0.07 -1.40 1.51 0.12 -0.02 117.35 112.19 3cgl s TYR 195 Ca 0.06 -0.79 0.01 0.00 -1.01 0.00 0.00 57.07 55.34 3cgl s TYR 195 Cb -0.01 -0.54 0.02 0.00 -0.11 0.00 0.00 41.96 41.32 3cgl s TYR 195 CO 0.04 -0.07 -0.08 0.08 -1.11 0.00 0.00 175.55 174.41 3cgl s VAL 196 N -3.10 0.91 -0.13 0.71 1.01 -0.18 -1.04 120.40 118.57 3cgl s VAL 196 Ca 0.09 -0.31 -0.12 0.00 0.00 0.00 0.00 61.98 61.65 3cgl s VAL 196 Cb 0.02 -0.88 -0.05 0.00 0.00 0.00 0.00 36.38 35.47 3cgl s VAL 196 CO -0.02 0.32 0.25 -1.81 0.00 0.00 0.00 175.10 173.83 3cgl s ASP 197 N 1.04 6.44 0.03 3.32 1.01 -0.34 0.10 116.67 128.27 3cgl s ASP 197 Ca -0.08 0.52 0.03 0.00 0.71 0.00 0.00 52.55 53.73 3cgl s ASP 197 Cb -0.14 -2.15 -0.02 0.00 1.01 0.00 0.00 42.92 41.62 3cgl s ASP 197 CO -0.00 0.22 -0.08 -0.89 0.21 0.00 0.00 175.17 174.62 3cgl s THR 198 N -0.11 0.62 -0.08 -1.27 2.01 0.08 -1.26 115.64 115.62 3cgl s THR 198 Ca 0.16 -0.77 -0.01 0.00 0.31 0.00 0.00 61.69 61.38 3cgl s THR 198 Cb -0.13 -0.60 0.03 0.00 0.01 0.00 0.00 72.50 71.80 3cgl s THR 198 CO 0.04 -0.13 -0.00 -0.75 -0.69 0.00 0.00 174.62 173.09 3cgl s LYS 199 N -0.99 0.65 -0.09 4.92 2.20 0.04 -0.51 119.74 125.96 3cgl s LYS 199 Ca -0.03 0.08 0.03 0.00 -0.36 0.00 0.00 55.97 55.69 3cgl s LYS 199 Cb -0.07 -1.02 -0.01 0.00 -1.51 0.00 0.00 37.83 35.22 3cgl s LYS 199 CO 0.00 -0.31 -0.19 -1.17 -0.36 0.00 0.00 175.35 173.32 3cgl s LEU 200 N 1.96 2.37 0.03 5.43 0.20 -1.26 -1.04 118.68 126.37 3cgl s LEU 200 Ca 0.05 -0.43 0.02 0.00 0.69 0.00 0.00 54.13 54.46 3cgl s LEU 200 Cb -0.12 -1.48 -0.02 0.00 -0.43 0.00 0.00 46.19 44.13 3cgl s LEU 200 CO -0.05 0.20 -0.07 0.68 -0.29 0.00 0.00 176.35 176.82 3cgl s VAL 201 N 0.10 0.46 -0.23 1.68 -7.23 -0.12 -4.55 120.40 110.52 3cgl s VAL 201 Ca -0.09 -0.98 -0.26 0.00 -1.81 0.00 0.00 61.98 58.85 3cgl s VAL 201 Cb -0.15 -0.53 -0.00 0.00 0.56 0.00 0.00 36.38 36.25 3cgl s VAL 201 CO 0.06 -0.35 0.87 -0.63 -0.31 0.00 0.00 175.10 174.73 3cgl s ILE 202 N -1.28 4.81 0.01 -0.62 -1.09 -1.26 -0.44 121.20 121.34 3cgl s ILE 202 Ca -0.10 1.67 -0.13 0.00 -2.23 0.00 0.00 60.65 59.86 3cgl s ILE 202 Cb -0.09 -4.16 -0.34 0.00 -1.58 0.00 0.00 42.46 36.29 3cgl s ILE 202 CO 0.00 -0.08 0.91 -0.50 -1.23 0.00 0.00 174.94 174.05 3cgl h TRP 203 N 7.57 0.87 -2.58 3.97 4.06 -0.30 -3.48 115.95 126.07 3cgl h TRP 203 Ca -0.23 -0.64 -0.09 0.00 2.06 0.00 0.00 58.89 59.98 3cgl h TRP 203 Cb 1.09 -0.03 -0.21 0.00 -1.00 0.00 0.00 29.16 29.01 3cgl h TRP 203 CO 0.75 1.58 -0.10 -0.80 -3.56 0.00 0.00 178.44 176.31 3cgl s ASN 204 N -7.47 -0.43 -0.05 -3.49 0.01 -0.93 -4.99 114.94 97.60 3cgl s ASN 204 Ca -0.11 0.54 -0.26 0.00 -0.71 0.00 0.00 52.86 52.32 3cgl s ASN 204 Cb 0.05 0.59 0.06 0.00 0.41 0.00 0.00 41.25 42.35 3cgl s ASN 204 CO 0.92 -0.42 0.57 0.54 -1.51 0.00 0.00 177.10 177.21 3cgl s ASN 205 N -0.82 -0.53 0.67 -1.22 4.22 -1.26 0.26 114.94 116.26 3cgl s ASN 205 Ca -0.09 0.56 -0.11 0.00 -2.14 0.00 0.00 52.86 51.08 3cgl s ASN 205 Cb -0.03 0.50 -0.01 0.00 1.28 0.00 0.00 41.25 42.99 3cgl s ASN 205 CO 0.05 -0.55 1.05 1.51 -2.04 0.00 0.00 177.10 177.12 3cgl s ASP 206 N -1.17 5.69 0.38 3.54 -4.77 -0.59 -4.93 116.67 114.83 3cgl s ASP 206 Ca -0.11 1.47 0.16 0.00 -3.30 0.00 0.00 52.55 50.77 3cgl s ASP 206 Cb -0.02 -2.41 1.03 0.00 -1.09 0.00 0.00 42.92 40.43 3cgl s ASP 206 CO 0.08 -1.22 1.79 0.07 0.70 0.00 0.00 175.17 176.59 3cgl h LYS 207 N -0.57 0.45 -0.01 2.11 5.09 -2.02 0.24 116.57 121.87 3cgl h LYS 207 Ca -0.44 -0.03 0.00 0.00 0.09 0.00 0.00 60.65 60.27 3cgl h LYS 207 Cb 1.21 -0.10 0.00 0.00 0.10 0.00 0.00 32.23 33.44 3cgl h LYS 207 CO 0.60 0.30 -0.10 -0.85 -2.09 0.00 0.00 179.45 177.31 3cgl n GLU 208 N -4.63 1.19 -3.91 0.07 0.00 -1.26 -4.94 120.64 107.16 3cgl n GLU 208 Ca 0.24 -0.62 -0.29 0.00 0.00 0.00 0.00 57.16 56.48 3cgl n GLU 208 Cb 0.78 -1.49 0.02 0.00 0.00 0.00 0.00 31.44 30.75 3cgl n GLU 208 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.13 178.32 3cgl n PHE 209 N -0.36 -2.20 0.09 -1.84 3.01 0.84 -4.66 117.46 112.34 3cgl n PHE 209 Ca 0.17 0.89 0.06 0.00 1.01 0.00 0.00 57.45 59.58 3cgl n PHE 209 Cb 0.32 -3.96 -0.01 0.00 -0.01 0.00 0.00 39.48 35.82 3cgl n PHE 209 CO 0.00 0.00 0.00 0.52 1.01 0.00 0.00 176.76 178.29 3cgl h MET 210 N -2.02 0.00 -3.60 -1.08 2.86 -1.92 -3.45 114.93 105.71 3cgl h MET 210 Ca -0.59 0.00 -0.39 0.00 -2.06 0.00 0.00 59.70 56.66 3cgl h MET 210 Cb 1.37 0.00 -0.37 0.00 0.06 0.00 0.00 31.60 32.66 3cgl h MET 210 CO 0.66 0.16 -0.75 0.15 1.06 0.00 0.00 176.91 178.19 3cgl s LYS 211 N -3.15 0.33 -0.02 1.72 1.02 -1.26 -1.11 119.74 117.28 3cgl s LYS 211 Ca -0.00 0.17 0.01 0.00 0.02 0.00 0.00 55.97 56.17 3cgl s LYS 211 Cb 0.09 -0.69 0.01 0.00 -0.52 0.00 0.00 37.83 36.71 3cgl s LYS 211 CO 0.78 -0.25 -0.03 0.08 -0.92 0.00 0.00 175.35 175.01 3cgl s VAL 212 N 1.72 0.28 -0.18 3.17 1.01 -0.76 -1.54 120.40 124.08 3cgl s VAL 212 Ca 0.00 -0.08 -0.02 0.00 0.00 0.00 0.00 61.98 61.89 3cgl s VAL 212 Cb -0.13 -0.29 -0.01 0.00 0.00 0.00 0.00 36.38 35.96 3cgl s VAL 212 CO -0.03 0.12 -0.10 -0.70 0.00 0.00 0.00 175.10 174.39 3cgl s GLU 213 N 0.37 3.32 0.09 2.72 2.12 0.14 -0.63 118.70 126.83 3cgl s GLU 213 Ca -0.04 -0.68 0.04 0.00 0.36 0.00 0.00 54.97 54.66 3cgl s GLU 213 Cb -0.07 -2.82 -0.03 0.00 0.26 0.00 0.00 34.13 31.47 3cgl s GLU 213 CO -0.01 -0.06 -0.12 -1.83 -0.54 0.00 0.00 175.26 172.70 3cgl s GLU 214 N 1.07 0.83 -0.02 4.30 -1.05 -0.44 0.50 118.70 123.89 3cgl s GLU 214 Ca 0.00 -1.06 0.03 0.00 -0.15 0.00 0.00 54.97 53.79 3cgl s GLU 214 Cb -0.15 -0.67 -0.00 0.00 -0.44 0.00 0.00 34.13 32.88 3cgl s GLU 214 CO -0.02 0.13 -0.11 -1.58 0.95 0.00 0.00 175.26 174.63 3cgl s HIS 215 N -1.88 1.09 -0.05 4.83 5.65 0.42 -1.35 115.29 123.99 3cgl s HIS 215 Ca 0.02 -0.26 0.04 0.00 0.25 0.00 0.00 55.06 55.11 3cgl s HIS 215 Cb -0.06 -0.75 -0.00 0.00 -1.18 0.00 0.00 32.58 30.58 3cgl s HIS 215 CO 0.01 -0.09 -0.18 -2.00 -0.65 0.00 0.00 174.74 171.83 3cgl s GLU 216 N 0.04 2.00 -0.06 2.88 2.12 -0.10 -0.94 118.70 124.64 3cgl s GLU 216 Ca -0.01 -0.65 0.05 0.00 0.36 0.00 0.00 54.97 54.72 3cgl s GLU 216 Cb -0.08 -1.69 -0.01 0.00 0.26 0.00 0.00 34.13 32.61 3cgl s GLU 216 CO 0.00 0.23 -0.22 -1.50 -0.54 0.00 0.00 175.26 173.23 3cgl s ILE 217 N 0.10 2.29 -0.12 -3.70 2.07 -0.21 -1.61 121.20 120.03 3cgl s ILE 217 Ca -0.06 -0.98 -0.11 0.00 -1.41 0.00 0.00 60.65 58.08 3cgl s ILE 217 Cb -0.13 -1.85 0.03 0.00 0.13 0.00 0.00 42.46 40.64 3cgl s ILE 217 CO 0.03 0.57 0.32 0.00 -1.91 0.00 0.00 174.94 173.95 3cgl s ALA 218 N -0.20 -0.78 -0.02 1.50 0.00 0.86 -0.78 121.76 122.34 3cgl s ALA 218 Ca -0.02 0.87 -0.01 0.00 0.00 0.00 0.00 51.96 52.81 3cgl s ALA 218 Cb -0.13 -0.50 0.02 0.00 0.00 0.00 0.00 23.12 22.50 3cgl s ALA 218 CO 0.03 -0.15 0.04 0.08 0.00 0.00 0.00 175.76 175.76 3cgl s VAL 219 N 0.13 -0.03 0.17 0.00 1.01 -0.39 -1.65 120.40 119.64 3cgl s VAL 219 Ca -0.00 0.11 -0.10 0.00 0.00 0.00 0.00 61.98 61.99 3cgl s VAL 219 Cb -0.02 -0.09 -0.07 0.00 0.00 0.00 0.00 36.38 36.21 3cgl s VAL 219 CO 0.01 0.04 0.49 0.00 0.00 0.00 0.00 175.10 175.64 3cgl s ALA 220 N 0.57 3.64 0.23 5.51 0.00 0.69 -1.19 121.76 131.21 3cgl s ALA 220 Ca -0.05 -0.31 -0.21 0.00 0.00 0.00 0.00 51.96 51.39 3cgl s ALA 220 Cb -0.07 -2.37 0.04 0.00 0.00 0.00 0.00 23.12 20.72 3cgl s ALA 220 CO -0.02 0.54 0.66 -0.98 0.00 0.00 0.00 175.76 175.96 3cgl s ARG 221 N -2.46 1.59 0.68 0.00 1.70 -0.20 -4.41 118.95 115.84 3cgl s ARG 221 Ca 0.42 -0.82 -0.08 0.00 -0.47 0.00 0.00 55.73 54.78 3cgl s ARG 221 Cb -0.13 0.59 0.04 0.00 -0.57 0.00 0.00 34.95 34.89 3cgl s ARG 221 CO 0.21 -0.71 1.01 -1.01 -1.08 0.00 0.00 175.30 173.72 3cgl s HIS 222 N -3.86 3.07 0.51 5.89 3.76 -1.26 -0.71 115.29 122.69 3cgl s HIS 222 Ca 0.08 0.62 -0.23 0.00 -0.15 0.00 0.00 55.06 55.38 3cgl s HIS 222 Cb -0.04 -3.08 -0.06 0.00 1.11 0.00 0.00 32.58 30.51 3cgl s HIS 222 CO -0.00 -1.26 1.40 -1.58 -0.85 0.00 0.00 174.74 172.45 3cgl s HIS 223 N -3.23 2.31 0.63 1.40 2.46 -1.26 -4.82 115.29 112.77 3cgl s HIS 223 Ca 0.58 1.31 0.33 0.00 0.47 0.00 0.00 55.06 57.75 3cgl s HIS 223 Cb -0.11 -3.88 1.83 0.00 -0.13 0.00 0.00 32.58 30.29 3cgl s HIS 223 CO 0.46 -3.02 2.12 -1.00 -2.47 0.00 0.00 174.74 170.83 3cgl h PRO 224 N 1.77 0.00 -0.55 2.88 0.13 -2.04 -1.89 132.00 132.31 3cgl h PRO 224 Ca -0.51 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 3cgl h PRO 224 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 3cgl h PRO 224 CO 0.59 0.00 0.00 1.19 -0.23 0.00 0.00 178.00 179.55 3cgl n PHE 225 N -3.43 1.27 -1.55 1.56 3.72 -1.26 -5.02 117.46 112.76 3cgl n PHE 225 Ca -0.00 -0.64 -0.38 0.00 -0.05 0.00 0.00 57.45 56.38 3cgl n PHE 225 Cb 0.29 -0.23 0.04 0.00 -0.94 0.00 0.00 39.48 38.64 3cgl n PHE 225 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 176.76 177.69 3cgl n TYR 226 N 0.80 0.17 -3.98 1.38 9.36 -0.71 -5.06 117.16 119.12 3cgl n TYR 226 Ca 0.23 0.46 -0.16 0.00 3.32 0.00 0.00 57.90 61.75 3cgl n TYR 226 Cb 0.83 -2.06 -0.15 0.00 -0.63 0.00 0.00 39.34 37.32 3cgl n TYR 226 CO 0.00 0.00 0.00 -1.83 0.22 0.00 0.00 176.86 175.25 3cgl s GLU 227 N -2.33 0.30 0.00 2.98 4.04 -1.26 -5.04 118.70 117.39 3cgl s GLU 227 Ca 0.71 -0.00 0.30 0.00 0.04 0.00 0.00 54.97 56.01 3cgl s GLU 227 Cb -0.45 -0.40 1.41 0.00 0.02 0.00 0.00 34.13 34.71 3cgl s GLU 227 CO 0.52 -0.06 1.95 -0.35 -1.84 0.00 0.00 175.26 175.48