#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2g46 n PHE 2 N 0.00 1.19 -3.85 2.03 1.16 -1.26 -4.62 117.46 112.11 2g46 n PHE 2 Ca 0.00 0.69 -0.12 0.00 -1.87 0.00 0.00 57.45 56.15 2g46 n PHE 2 Cb 0.00 -2.24 -0.12 0.00 -1.61 0.00 0.00 39.48 35.51 2g46 n PHE 2 CO 0.00 0.00 0.00 1.21 -1.87 0.00 0.00 176.76 176.10 2g46 s ASN 3 N -0.59 -0.06 0.48 5.98 2.47 0.46 -4.96 114.94 118.73 2g46 s ASN 3 Ca 0.59 0.06 0.29 0.00 0.42 0.00 0.00 52.86 54.23 2g46 s ASN 3 Cb -0.68 0.23 1.37 0.00 -1.45 0.00 0.00 41.25 40.71 2g46 s ASN 3 CO 0.60 -0.15 1.77 -2.24 -3.72 0.00 0.00 177.10 173.35 2g46 h ASP 4 N 5.38 0.20 0.05 -4.21 2.03 -2.02 0.96 116.42 118.81 2g46 h ASP 4 Ca -0.27 0.05 -0.17 0.00 -0.73 0.00 0.00 57.03 55.90 2g46 h ASP 4 Cb 1.20 0.02 0.02 0.00 -0.83 0.00 0.00 39.33 39.73 2g46 h ASP 4 CO 0.42 0.01 -0.71 0.03 -1.03 0.00 0.00 179.24 177.97 2g46 h ARG 5 N 0.16 0.38 -2.56 4.15 2.47 -1.95 -3.45 114.38 113.58 2g46 h ARG 5 Ca 0.61 -0.48 -0.09 0.00 -1.26 0.00 0.00 59.98 58.76 2g46 h ARG 5 Cb 2.04 0.15 -0.20 0.00 -1.65 0.00 0.00 29.97 30.31 2g46 h ARG 5 CO -0.16 1.16 -0.08 0.14 0.56 0.00 0.00 179.97 181.59 2g46 s VAL 6 N -2.94 0.02 0.36 2.04 -7.23 0.33 -4.02 120.40 108.97 2g46 s VAL 6 Ca -0.13 -0.20 0.08 0.00 -1.81 0.00 0.00 61.98 59.92 2g46 s VAL 6 Cb 0.03 -0.76 -0.05 0.00 0.56 0.00 0.00 36.38 36.15 2g46 s VAL 6 CO 0.83 -0.11 0.07 -0.51 -0.31 0.00 0.00 175.10 175.08 2g46 s ILE 7 N -0.88 2.63 -0.22 -0.62 2.07 -0.92 -0.40 121.20 122.86 2g46 s ILE 7 Ca -0.09 -1.86 -0.20 0.00 -1.41 0.00 0.00 60.65 57.09 2g46 s ILE 7 Cb -0.03 -2.88 -0.02 0.00 0.13 0.00 0.00 42.46 39.65 2g46 s ILE 7 CO 0.05 -0.15 0.62 0.54 -1.91 0.00 0.00 174.94 174.09 2g46 s VAL 8 N -2.52 5.02 -0.15 4.00 0.11 -1.26 -1.31 120.40 124.28 2g46 s VAL 8 Ca 0.37 1.14 -0.08 0.00 -2.93 0.00 0.00 61.98 60.48 2g46 s VAL 8 Cb 0.01 -3.93 0.06 0.00 -1.53 0.00 0.00 36.38 30.98 2g46 s VAL 8 CO 0.21 0.09 0.36 -0.54 -3.33 0.00 0.00 175.10 171.88 2g46 s LYS 9 N 2.10 0.33 -1.58 1.54 1.02 -1.07 -4.74 119.74 117.33 2g46 s LYS 9 Ca 0.27 0.74 -0.15 0.00 0.02 0.00 0.00 55.97 56.85 2g46 s LYS 9 Cb -0.16 -0.03 0.11 0.00 -0.52 0.00 0.00 37.83 37.23 2g46 s LYS 9 CO 0.10 -0.17 0.93 1.63 -0.92 0.00 0.00 175.35 176.92 2g46 n LYS 10 N 4.38 -4.88 -0.82 1.68 5.02 -0.56 0.58 118.16 123.56 2g46 n LYS 10 Ca -0.22 0.53 -0.34 0.00 -2.02 0.00 0.00 58.31 56.26 2g46 n LYS 10 Cb 0.54 -5.38 0.11 0.00 -0.02 0.00 0.00 35.03 30.28 2g46 n LYS 10 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2g46 n SER 11 N -2.78 -3.00 0.28 4.39 2.88 -1.24 -4.71 113.62 109.44 2g46 n SER 11 Ca 0.05 0.09 0.17 0.00 -1.33 0.00 0.00 58.87 57.85 2g46 n SER 11 Cb 0.51 -0.92 0.86 0.00 -0.75 0.00 0.00 64.21 63.91 2g46 n SER 11 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 2g46 h PRO 12 N -1.56 0.00 0.03 -1.46 0.11 -1.98 -2.12 132.00 125.03 2g46 h PRO 12 Ca -0.46 0.00 -0.33 0.00 0.11 0.00 0.00 66.00 65.31 2g46 h PRO 12 Cb 1.33 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.40 2g46 h PRO 12 CO 0.32 0.00 -1.84 1.28 -0.21 0.00 0.00 178.00 177.55 2g46 n LEU 13 N -3.15 2.17 0.00 2.35 7.99 -1.26 -5.10 117.00 120.01 2g46 n LEU 13 Ca -0.00 0.30 0.00 0.00 -0.01 0.00 0.00 56.01 56.30 2g46 n LEU 13 Cb 0.37 -0.97 0.00 0.00 -0.11 0.00 0.00 43.42 42.72 2g46 n LEU 13 CO 0.18 0.54 0.00 0.61 -1.51 0.00 0.00 177.39 177.21 2g46 n GLY 14 N 1.60 1.58 0.00 -0.72 0.00 -0.80 -5.15 105.19 101.70 2g46 n GLY 14 Ca -0.39 -1.15 0.00 0.00 0.00 0.00 0.00 46.02 44.48 2g46 n GLY 14 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2g46 n GLY 15 N -1.02 -0.03 2.93 -0.02 0.00 -1.26 -3.64 105.19 102.14 2g46 n GLY 15 Ca 0.00 -2.29 -0.10 0.00 0.00 0.00 0.00 46.02 43.63 2g46 n GLY 15 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2g46 s TYR 16 N -0.91 -0.87 0.00 1.61 1.51 -1.26 -1.50 117.35 115.93 2g46 s TYR 16 Ca 0.00 -0.30 0.00 0.00 -1.01 0.00 0.00 57.07 55.76 2g46 s TYR 16 Cb 0.00 -0.13 0.00 0.00 -0.11 0.00 0.00 41.96 41.72 2g46 s TYR 16 CO 0.00 -1.04 0.00 0.41 -1.11 0.00 0.00 175.55 173.81 2g46 n GLY 17 N 4.47 2.97 3.63 0.71 0.00 0.20 -4.50 105.19 112.66 2g46 n GLY 17 Ca 0.10 -1.28 -0.37 0.00 0.00 0.00 0.00 46.02 44.47 2g46 n GLY 17 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2g46 s VAL 18 N -2.53 5.22 -0.09 1.61 1.01 -1.13 -2.59 120.40 121.90 2g46 s VAL 18 Ca 0.00 0.13 -0.22 0.00 0.00 0.00 0.00 61.98 61.90 2g46 s VAL 18 Cb 0.00 -3.44 -0.04 0.00 0.00 0.00 0.00 36.38 32.91 2g46 s VAL 18 CO 0.00 0.34 0.62 0.12 0.00 0.00 0.00 175.10 176.18 2g46 s PHE 19 N 1.17 3.54 -0.99 5.22 5.36 -0.42 0.43 117.98 132.29 2g46 s PHE 19 Ca 0.07 1.11 -0.13 0.00 -0.96 0.00 0.00 56.93 57.02 2g46 s PHE 19 Cb -0.14 -2.73 0.22 0.00 -0.34 0.00 0.00 43.02 40.04 2g46 s PHE 19 CO 0.05 0.09 1.03 0.00 -1.46 0.00 0.00 175.22 174.93 2g46 s ALA 20 N 0.85 4.21 0.60 11.12 0.00 0.10 -2.16 121.76 136.48 2g46 s ALA 20 Ca 0.33 -3.44 0.29 0.00 0.00 0.00 0.00 51.96 49.14 2g46 s ALA 20 Cb -0.17 -3.69 1.66 0.00 0.00 0.00 0.00 23.12 20.92 2g46 s ALA 20 CO 0.15 -2.41 2.07 0.00 0.00 0.00 0.00 175.76 175.57 2g46 h ARG 21 N 7.45 0.00 0.00 0.00 3.08 -1.84 -1.40 114.38 121.67 2g46 h ARG 21 Ca 0.17 0.00 -0.44 0.00 0.07 0.00 0.00 59.98 59.78 2g46 h ARG 21 Cb 0.96 0.00 0.14 0.00 0.08 0.00 0.00 29.97 31.15 2g46 h ARG 21 CO 0.96 0.00 0.31 1.63 -1.07 0.00 0.00 179.97 181.79 2g46 n LYS 22 N -3.71 -0.85 0.00 0.04 5.02 -1.26 -3.66 118.16 113.73 2g46 n LYS 22 Ca 0.02 -2.30 0.00 0.00 -2.02 0.00 0.00 58.31 54.01 2g46 n LYS 22 Cb 0.36 -1.10 0.00 0.00 -0.02 0.00 0.00 35.03 34.27 2g46 n LYS 22 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 2g46 n SER 23 N -3.50 0.00 -4.68 4.39 7.64 -0.50 -1.67 113.62 115.30 2g46 n SER 23 Ca 0.17 0.00 -0.33 0.00 1.01 0.00 0.00 58.87 59.71 2g46 n SER 23 Cb 0.58 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.69 2g46 n SER 23 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 2g46 s PHE 24 N -2.00 3.10 0.64 1.43 0.08 -0.95 -5.01 117.98 115.27 2g46 s PHE 24 Ca 0.00 0.12 -0.02 0.00 0.12 0.00 0.00 56.93 57.14 2g46 s PHE 24 Cb 0.00 -1.71 0.06 0.00 -0.57 0.00 0.00 43.02 40.79 2g46 s PHE 24 CO 0.00 0.46 0.91 -1.21 -0.10 0.00 0.00 175.22 175.27 2g46 s GLU 25 N -1.28 2.26 -0.56 0.44 2.02 -1.26 -1.25 118.70 119.07 2g46 s GLU 25 Ca 0.17 -0.61 -0.27 0.00 0.02 0.00 0.00 54.97 54.29 2g46 s GLU 25 Cb -0.11 -2.33 -0.03 0.00 0.10 0.00 0.00 34.13 31.75 2g46 s GLU 25 CO 0.07 -1.04 2.00 0.21 0.02 0.00 0.00 175.26 176.52 2g46 s LYS 26 N -5.02 2.54 0.00 1.61 2.20 -1.26 -1.47 119.74 118.33 2g46 s LYS 26 Ca 0.60 0.89 0.00 0.00 -0.36 0.00 0.00 55.97 57.10 2g46 s LYS 26 Cb -0.10 -4.43 0.00 0.00 -1.51 0.00 0.00 37.83 31.80 2g46 s LYS 26 CO 0.42 -2.81 0.00 0.41 -0.36 0.00 0.00 175.35 173.01 2g46 n GLY 27 N 5.76 2.26 3.67 5.54 0.00 -0.25 -4.91 105.19 117.26 2g46 n GLY 27 Ca 0.25 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.76 2g46 n GLY 27 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2g46 n GLU 28 N -0.24 1.80 -1.92 1.61 0.00 -0.54 -4.42 120.64 116.93 2g46 n GLU 28 Ca 0.00 0.65 -0.43 0.00 0.00 0.00 0.00 57.16 57.39 2g46 n GLU 28 Cb 0.00 -2.42 -0.03 0.00 0.00 0.00 0.00 31.44 28.99 2g46 n GLU 28 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.13 175.96 2g46 s LEU 29 N 2.75 3.80 -0.04 4.31 1.98 -1.26 -3.83 118.68 126.38 2g46 s LEU 29 Ca 0.90 1.77 -0.23 0.00 -2.89 0.00 0.00 54.13 53.67 2g46 s LEU 29 Cb -0.81 -3.53 -0.17 0.00 0.66 0.00 0.00 46.19 42.34 2g46 s LEU 29 CO 0.51 -1.46 0.99 0.58 -1.89 0.00 0.00 176.35 175.08 2g46 h VAL 30 N 6.41 1.02 -1.29 1.68 2.07 -0.99 -3.48 116.25 121.67 2g46 h VAL 30 Ca -0.37 -1.16 0.15 0.00 0.82 0.00 0.00 66.70 66.13 2g46 h VAL 30 Cb 1.19 1.68 -0.28 0.00 -1.52 0.00 0.00 31.29 32.36 2g46 h VAL 30 CO 0.99 0.25 0.73 -0.70 0.02 0.00 0.00 177.57 178.86 2g46 s GLU 31 N -3.65 0.27 0.20 1.57 2.12 -1.19 -4.92 118.70 113.10 2g46 s GLU 31 Ca -0.14 0.20 0.08 0.00 0.36 0.00 0.00 54.97 55.47 2g46 s GLU 31 Cb 0.01 0.13 -0.04 0.00 0.26 0.00 0.00 34.13 34.48 2g46 s GLU 31 CO 0.54 -0.06 -0.17 -1.83 -0.54 0.00 0.00 175.26 173.21 2g46 s GLU 32 N -0.41 1.34 0.07 4.30 -1.05 -1.26 0.75 118.70 122.44 2g46 s GLU 32 Ca 0.05 -1.53 -0.01 0.00 -0.15 0.00 0.00 54.97 53.33 2g46 s GLU 32 Cb -0.03 -1.27 0.00 0.00 -0.44 0.00 0.00 34.13 32.39 2g46 s GLU 32 CO -0.08 0.24 0.10 0.00 0.95 0.00 0.00 175.26 176.47 2g46 s LEU 34 N 0.00 3.78 0.10 0.00 1.43 -1.26 -0.82 118.68 121.91 2g46 s LEU 34 Ca 0.05 -0.33 -0.07 0.00 -1.03 0.00 0.00 54.13 52.75 2g46 s LEU 34 Cb -0.00 -2.65 -0.01 0.00 0.03 0.00 0.00 46.19 43.55 2g46 s LEU 34 CO 0.04 -0.59 0.16 0.00 0.23 0.00 0.00 176.35 176.18 2g46 s ILE 36 N -3.91 4.99 -0.48 0.00 1.01 -1.02 -4.53 121.20 117.25 2g46 s ILE 36 Ca 0.10 0.45 0.03 0.00 0.00 0.00 0.00 60.65 61.23 2g46 s ILE 36 Cb 0.05 -3.64 0.13 0.00 0.01 0.00 0.00 42.46 39.01 2g46 s ILE 36 CO -0.07 0.07 0.24 -0.69 0.00 0.00 0.00 174.94 174.48 2g46 s VAL 37 N -1.65 2.09 0.39 2.92 1.01 -1.26 -1.52 120.40 122.37 2g46 s VAL 37 Ca 0.42 -2.96 0.08 0.00 0.00 0.00 0.00 61.98 59.52 2g46 s VAL 37 Cb -0.12 -2.46 -0.07 0.00 0.00 0.00 0.00 36.38 33.73 2g46 s VAL 37 CO 0.21 -0.83 0.03 -0.13 0.00 0.00 0.00 175.10 174.39 2g46 s ARG 38 N 0.03 2.02 0.54 2.72 1.81 -0.17 -4.99 118.95 120.91 2g46 s ARG 38 Ca 0.17 -1.96 -0.05 0.00 -1.72 0.00 0.00 55.73 52.17 2g46 s ARG 38 Cb -0.25 -1.78 0.12 0.00 -0.45 0.00 0.00 34.95 32.59 2g46 s ARG 38 CO -0.00 -0.01 0.74 1.58 -0.68 0.00 0.00 175.30 176.92 2g46 n HIS 39 N -1.00 -3.48 0.00 -0.53 -0.00 -1.26 -1.33 115.22 107.61 2g46 n HIS 39 Ca -0.04 -0.97 0.00 0.00 0.46 0.00 0.00 57.72 57.17 2g46 n HIS 39 Cb 0.65 -0.55 0.00 0.00 -0.12 0.00 0.00 29.99 29.97 2g46 n HIS 39 CO 0.00 0.00 0.00 0.09 0.46 0.00 0.00 176.34 176.89 2g46 n ASN 40 N -3.20 0.00 0.00 0.26 5.03 -1.26 -4.32 115.26 111.76 2g46 n ASN 40 Ca 0.11 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.56 2g46 n ASN 40 Cb 0.38 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.14 2g46 n ASN 40 CO 0.00 0.00 0.00 -0.67 -1.83 0.00 0.00 177.26 174.76 2g46 n ASP 41 N 0.00 0.00 -0.38 6.41 -0.08 -1.26 -2.96 116.55 118.28 2g46 n ASP 41 Ca 0.00 0.00 0.31 0.00 -1.51 0.00 0.00 54.79 53.59 2g46 n ASP 41 Cb 0.00 0.00 0.61 0.00 2.34 0.00 0.00 41.12 44.07 2g46 n ASP 41 CO 0.00 0.00 0.00 0.44 0.12 0.00 0.00 177.20 177.76 2g46 h ASP 42 N 8.89 0.28 0.12 1.67 3.32 -1.99 -0.53 116.42 128.18 2g46 h ASP 42 Ca 0.00 0.08 0.02 0.00 0.02 0.00 0.00 57.03 57.15 2g46 h ASP 42 Cb 0.00 0.04 -0.05 0.00 0.22 0.00 0.00 39.33 39.55 2g46 h ASP 42 CO 0.00 -0.02 -0.40 -0.25 -1.72 0.00 0.00 179.24 176.85 2g46 h TRP 43 N 0.20 -1.13 -0.13 4.55 2.91 -1.75 0.94 115.95 121.54 2g46 h TRP 43 Ca 0.67 0.03 -0.00 0.00 1.13 0.00 0.00 58.89 60.72 2g46 h TRP 43 Cb 2.09 0.48 -0.01 0.00 -0.51 0.00 0.00 29.16 31.21 2g46 h TRP 43 CO -0.00 -0.50 0.07 0.78 -1.03 0.00 0.00 178.44 177.75 2g46 h GLY 44 N -0.64 0.18 0.27 2.65 0.00 -1.23 0.15 103.07 104.46 2g46 h GLY 44 Ca 0.02 -0.07 -0.01 0.00 0.00 0.00 0.00 47.33 47.27 2g46 h GLY 44 CO -0.24 0.07 -0.13 -0.84 0.00 0.00 0.00 176.54 175.40 2g46 h THR 45 N 0.18 0.00 0.12 4.70 2.02 -0.81 0.16 112.91 119.28 2g46 h THR 45 Ca 0.05 -0.22 -0.01 0.00 0.77 0.00 0.00 66.41 67.00 2g46 h THR 45 Cb 0.01 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.42 2g46 h THR 45 CO -0.01 0.00 -0.06 0.00 0.37 0.00 0.00 175.52 175.82 2g46 h ALA 46 N -1.62 -0.16 -0.59 6.16 0.00 -0.84 -2.65 119.26 119.56 2g46 h ALA 46 Ca -0.04 -0.05 -0.34 0.00 0.00 0.00 0.00 54.91 54.48 2g46 h ALA 46 Cb 0.28 0.06 -0.18 0.00 0.00 0.00 0.00 17.79 17.95 2g46 h ALA 46 CO 0.06 -0.58 0.44 1.28 0.00 0.00 0.00 179.25 180.45 2g46 n LEU 47 N -5.15 5.82 0.26 0.00 7.99 0.53 -4.55 117.00 121.90 2g46 n LEU 47 Ca -0.08 -3.05 0.14 0.00 -0.01 0.00 0.00 56.01 53.01 2g46 n LEU 47 Cb 0.10 -0.84 0.76 0.00 -0.11 0.00 0.00 43.42 43.33 2g46 n LEU 47 CO 0.34 1.01 0.99 -0.08 -1.51 0.00 0.00 177.39 178.14 2g46 h GLU 48 N 0.99 0.00 -6.25 3.23 4.22 -0.31 -3.37 114.58 113.09 2g46 h GLU 48 Ca 0.37 0.00 -0.57 0.00 0.08 0.00 0.00 59.36 59.24 2g46 h GLU 48 Cb 1.61 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 30.78 2g46 h GLU 48 CO 0.77 0.00 -0.61 -0.51 -2.18 0.00 0.00 179.01 176.48 2g46 s ASP 49 N -4.28 5.07 -1.49 1.04 1.11 -1.26 -4.51 116.67 112.35 2g46 s ASP 49 Ca -0.03 -0.34 0.00 0.00 0.18 0.00 0.00 52.55 52.36 2g46 s ASP 49 Cb 0.08 -1.17 0.00 0.00 1.07 0.00 0.00 42.92 42.90 2g46 s ASP 49 CO 0.25 0.05 0.00 -1.22 1.18 0.00 0.00 175.17 175.43 2g46 n TYR 50 N -0.49 -0.87 -3.68 4.23 4.01 -1.26 -4.92 117.16 114.18 2g46 n TYR 50 Ca -0.08 0.00 -0.39 0.00 -0.16 0.00 0.00 57.90 57.27 2g46 n TYR 50 Cb 0.56 -3.15 -0.11 0.00 -0.31 0.00 0.00 39.34 36.34 2g46 n TYR 50 CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 2g46 s LEU 51 N -5.18 4.87 -0.54 7.72 2.96 -1.26 -2.62 118.68 124.64 2g46 s LEU 51 Ca 0.00 -1.46 -0.22 0.00 -0.22 0.00 0.00 54.13 52.23 2g46 s LEU 51 Cb 0.00 -1.92 0.05 0.00 0.50 0.00 0.00 46.19 44.82 2g46 s LEU 51 CO 0.00 -0.47 0.84 -0.36 -1.32 0.00 0.00 176.35 175.04 2g46 s PHE 52 N 1.37 2.87 0.04 5.38 0.40 0.70 -4.82 117.98 123.92 2g46 s PHE 52 Ca 0.02 -0.23 0.01 0.00 -0.60 0.00 0.00 56.93 56.14 2g46 s PHE 52 Cb -0.22 -3.91 -0.04 0.00 0.51 0.00 0.00 43.02 39.37 2g46 s PHE 52 CO 0.01 -1.26 0.07 0.45 0.70 0.00 0.00 175.22 175.19 2g46 s SER 53 N 2.84 5.53 0.00 1.36 0.15 -1.26 -1.98 113.70 120.34 2g46 s SER 53 Ca 0.25 0.05 0.00 0.00 0.70 0.00 0.00 55.95 56.95 2g46 s SER 53 Cb -0.15 -1.52 0.00 0.00 -1.71 0.00 0.00 66.02 62.64 2g46 s SER 53 CO 0.16 0.23 0.00 -2.11 1.20 0.00 0.00 173.24 172.72 2g46 n ARG 54 N 0.87 2.32 -2.50 5.44 1.85 -0.66 -4.95 116.66 119.03 2g46 n ARG 54 Ca -0.11 0.00 -0.43 0.00 -1.00 0.00 0.00 57.85 56.31 2g46 n ARG 54 Cb 0.52 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.93 2g46 n ARG 54 CO 0.00 0.00 0.00 1.17 -0.01 0.00 0.00 177.63 178.79 2g46 n LYS 55 N -0.17 3.21 0.00 2.89 4.81 -1.26 -2.86 118.16 124.77 2g46 n LYS 55 Ca 0.00 -3.30 0.00 0.00 -0.87 0.00 0.00 58.31 54.14 2g46 n LYS 55 Cb 0.00 -3.33 0.00 0.00 0.02 0.00 0.00 35.03 31.72 2g46 n LYS 55 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 2g46 n ASN 56 N 7.10 0.00 -0.44 3.14 5.15 -1.26 -5.15 115.26 123.80 2g46 n ASN 56 Ca 0.46 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.44 2g46 n ASN 56 Cb 0.43 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.68 2g46 n ASN 56 CO 0.00 0.00 0.00 1.15 1.40 0.00 0.00 177.26 179.81 2g46 n MET 57 N 0.00 0.00 -4.53 1.20 0.00 -1.14 -5.00 117.12 107.65 2g46 n MET 57 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 57.70 57.49 2g46 n MET 57 Cb 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 33.22 33.07 2g46 n MET 57 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 2g46 s SER 58 N 0.67 1.52 0.06 3.17 0.15 -0.44 -1.66 113.70 117.17 2g46 s SER 58 Ca 0.00 -0.27 0.04 0.00 0.70 0.00 0.00 55.95 56.42 2g46 s SER 58 Cb 0.00 -0.16 -0.03 0.00 -1.71 0.00 0.00 66.02 64.13 2g46 s SER 58 CO 0.00 0.13 -0.12 0.00 1.20 0.00 0.00 173.24 174.46 2g46 s ALA 59 N -0.40 0.93 0.29 5.45 0.00 -0.84 -1.00 121.76 126.20 2g46 s ALA 59 Ca 0.04 -0.88 -0.03 0.00 0.00 0.00 0.00 51.96 51.09 2g46 s ALA 59 Cb -0.05 -0.05 -0.05 0.00 0.00 0.00 0.00 23.12 22.97 2g46 s ALA 59 CO -0.00 0.10 0.53 1.41 0.00 0.00 0.00 175.76 177.80 2g46 s MET 60 N -1.59 3.58 -0.89 0.00 1.75 -0.58 -0.22 119.30 121.36 2g46 s MET 60 Ca -0.05 -0.11 -0.20 0.00 -1.25 0.00 0.00 55.69 54.08 2g46 s MET 60 Cb -0.10 -2.67 0.10 0.00 2.84 0.00 0.00 34.83 35.01 2g46 s MET 60 CO 0.01 0.22 1.15 0.00 -0.65 0.00 0.00 175.02 175.75 2g46 s ALA 61 N -2.12 3.20 0.00 4.11 0.00 -1.08 -2.45 121.76 123.42 2g46 s ALA 61 Ca 0.42 -2.48 0.00 0.00 0.00 0.00 0.00 51.96 49.90 2g46 s ALA 61 Cb -0.10 -4.10 0.00 0.00 0.00 0.00 0.00 23.12 18.92 2g46 s ALA 61 CO 0.32 -3.05 0.99 -0.11 0.00 0.00 0.00 175.76 173.90 2g46 n LEU 62 N 7.20 0.00 0.00 0.00 7.94 -0.78 -4.50 117.00 126.86 2g46 n LEU 62 Ca 0.20 0.99 0.00 0.00 -1.11 0.00 0.00 56.01 56.09 2g46 n LEU 62 Cb 0.49 -0.49 0.00 0.00 0.53 0.00 0.00 43.42 43.95 2g46 n LEU 62 CO 0.56 -0.49 0.00 0.61 -1.11 0.00 0.00 177.39 176.96 2g46 n GLY 63 N -0.99 -3.10 2.47 -3.96 0.00 -1.14 -4.76 105.19 93.71 2g46 n GLY 63 Ca 0.00 -1.12 -0.32 0.00 0.00 0.00 0.00 46.02 44.58 2g46 n GLY 63 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2g46 n PHE 64 N -0.49 1.96 0.49 1.61 3.01 -1.26 -4.44 117.46 118.34 2g46 n PHE 64 Ca 0.00 -2.29 0.11 0.00 1.01 0.00 0.00 57.45 56.28 2g46 n PHE 64 Cb 0.00 -1.58 0.04 0.00 -0.01 0.00 0.00 39.48 37.93 2g46 n PHE 64 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2g46 n GLY 65 N 1.28 -1.27 0.67 1.37 0.00 -1.26 -4.14 105.19 101.83 2g46 n GLY 65 Ca 0.54 -0.36 0.11 0.00 0.00 0.00 0.00 46.02 46.31 2g46 n GLY 65 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2g46 n ALA 66 N -1.89 2.50 0.11 4.61 0.00 -1.26 -4.05 120.51 120.53 2g46 n ALA 66 Ca 0.02 -0.61 0.10 0.00 0.00 0.00 0.00 53.44 52.95 2g46 n ALA 66 Cb 0.46 -1.04 0.01 0.00 0.00 0.00 0.00 19.45 18.88 2g46 n ALA 66 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2g46 h ILE 67 N 2.67 0.07 -3.01 0.00 5.03 -1.88 -3.47 117.51 116.93 2g46 h ILE 67 Ca 0.00 -1.14 -0.58 0.00 -0.12 0.00 0.00 64.86 63.02 2g46 h ILE 67 Cb 0.59 1.64 0.13 0.00 -3.03 0.00 0.00 36.82 36.15 2g46 h ILE 67 CO 0.00 0.04 0.15 0.49 -0.68 0.00 0.00 178.15 178.15 2g46 n PHE 68 N -2.77 1.13 -2.59 1.37 3.72 -1.26 -3.92 117.46 113.16 2g46 n PHE 68 Ca -0.01 0.57 0.00 0.00 -0.05 0.00 0.00 57.45 57.96 2g46 n PHE 68 Cb 0.58 -2.22 0.00 0.00 -0.94 0.00 0.00 39.48 36.90 2g46 n PHE 68 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 2g46 n ASN 69 N 0.57 1.20 -4.77 4.37 3.02 -1.26 -4.64 115.26 113.75 2g46 n ASN 69 Ca 0.09 0.00 -0.36 0.00 -0.03 0.00 0.00 54.58 54.29 2g46 n ASN 69 Cb 0.39 0.00 -0.08 0.00 -0.61 0.00 0.00 39.78 39.48 2g46 n ASN 69 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 2g46 s HIS 70 N 1.41 3.41 -0.17 3.10 5.65 -1.26 -2.38 115.29 125.06 2g46 s HIS 70 Ca 0.00 0.34 0.14 0.00 0.25 0.00 0.00 55.06 55.79 2g46 s HIS 70 Cb 0.00 -1.98 0.32 0.00 -1.18 0.00 0.00 32.58 29.74 2g46 s HIS 70 CO 0.00 0.49 1.24 0.43 -0.65 0.00 0.00 174.74 176.24 2g46 n SER 71 N 2.61 -0.24 0.00 9.88 7.64 -1.26 -5.02 113.62 127.22 2g46 n SER 71 Ca -0.18 -2.08 0.00 0.00 1.01 0.00 0.00 58.87 57.62 2g46 n SER 71 Cb 0.54 0.15 0.00 0.00 -1.01 0.00 0.00 64.21 63.89 2g46 n SER 71 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2g46 n LYS 72 N -0.55 0.00 -3.30 1.43 4.76 -1.26 -4.18 118.16 115.06 2g46 n LYS 72 Ca -0.11 0.00 -0.47 0.00 -2.87 0.00 0.00 58.31 54.86 2g46 n LYS 72 Cb 0.86 0.00 -0.03 0.00 -1.84 0.00 0.00 35.03 34.03 2g46 n LYS 72 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2g46 s ASP 73 N -4.00 6.66 -0.35 4.39 1.11 -1.26 -4.94 116.67 118.28 2g46 s ASP 73 Ca 0.00 -2.50 -0.29 0.00 0.18 0.00 0.00 52.55 49.95 2g46 s ASP 73 Cb 0.00 -2.22 -0.07 0.00 1.07 0.00 0.00 42.92 41.70 2g46 s ASP 73 CO 0.00 -0.65 2.30 -0.81 1.18 0.00 0.00 175.17 177.19 2g46 n PRO 74 N 4.35 1.48 0.13 8.23 -0.04 -1.26 -4.79 135.00 143.10 2g46 n PRO 74 Ca 0.10 0.31 0.19 0.00 -0.04 0.00 0.00 63.50 64.06 2g46 n PRO 74 Cb 0.46 -3.14 0.68 0.00 -0.04 0.00 0.00 33.50 31.45 2g46 n PRO 74 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 2g46 h ASN 75 N 16.07 0.00 -5.20 3.54 2.35 -1.82 -3.42 115.58 127.11 2g46 h ASN 75 Ca -0.33 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.32 2g46 h ASN 75 Cb 1.26 0.00 -0.15 0.00 0.05 0.00 0.00 38.32 39.48 2g46 h ASN 75 CO 1.04 0.00 -0.56 0.00 -1.65 0.00 0.00 177.43 176.26 2g46 s ALA 76 N -4.41 0.21 0.14 -0.83 0.00 -1.26 -3.51 121.76 112.10 2g46 s ALA 76 Ca -0.04 -0.95 0.03 0.00 0.00 0.00 0.00 51.96 51.00 2g46 s ALA 76 Cb 0.12 0.34 -0.01 0.00 0.00 0.00 0.00 23.12 23.58 2g46 s ALA 76 CO 0.43 -0.41 0.10 -2.13 0.00 0.00 0.00 175.76 173.74 2g46 n ARG 77 N 0.11 0.36 -4.64 0.00 0.63 -0.92 -4.37 116.66 107.83 2g46 n ARG 77 Ca -0.15 -1.36 -0.29 0.00 -0.92 0.00 0.00 57.85 55.13 2g46 n ARG 77 Cb 0.61 0.99 -0.10 0.00 0.45 0.00 0.00 32.46 34.41 2g46 n ARG 77 CO 0.00 0.00 0.00 -3.38 -2.51 0.00 0.00 177.63 171.74 2g46 s HIS 78 N -2.42 2.31 0.04 -0.14 -3.43 -1.26 -0.68 115.29 109.70 2g46 s HIS 78 Ca 0.14 -0.76 -0.04 0.00 -0.80 0.00 0.00 55.06 53.60 2g46 s HIS 78 Cb 0.01 -1.73 -0.02 0.00 -1.43 0.00 0.00 32.58 29.40 2g46 s HIS 78 CO 0.10 0.37 0.05 -2.00 -2.00 0.00 0.00 174.74 171.25 2g46 s GLU 79 N -3.77 0.55 0.03 -0.38 2.56 0.94 -4.75 118.70 113.86 2g46 s GLU 79 Ca 0.26 -0.82 0.07 0.00 0.00 0.00 0.00 54.97 54.48 2g46 s GLU 79 Cb 0.07 0.21 -0.02 0.00 2.00 0.00 0.00 34.13 36.38 2g46 s GLU 79 CO 0.13 -0.12 -0.22 -0.51 -0.56 0.00 0.00 175.26 173.98 2g46 s LEU 80 N -2.17 2.13 -0.02 2.70 1.43 -1.26 -1.98 118.68 119.51 2g46 s LEU 80 Ca -0.04 -0.50 -0.05 0.00 -1.03 0.00 0.00 54.13 52.51 2g46 s LEU 80 Cb -0.01 -1.07 -0.03 0.00 0.03 0.00 0.00 46.19 45.11 2g46 s LEU 80 CO -0.05 0.21 0.42 0.71 0.23 0.00 0.00 176.35 177.87 2g46 h THR 81 N 4.40 0.00 0.00 5.49 1.35 -1.95 -3.49 112.91 118.71 2g46 h THR 81 Ca -0.42 -0.23 0.00 0.00 -0.55 0.00 0.00 66.41 65.21 2g46 h THR 81 Cb 1.15 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.57 2g46 h THR 81 CO 0.45 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.72 2g46 n ALA 82 N -2.26 0.00 -1.22 6.62 0.00 -1.26 -4.95 120.51 117.43 2g46 n ALA 82 Ca -0.02 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.35 2g46 n ALA 82 Cb 0.07 0.00 0.23 0.00 0.00 0.00 0.00 19.45 19.75 2g46 n ALA 82 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2g46 n GLY 83 N -0.44 4.35 2.38 0.00 0.00 -1.26 -4.91 105.19 105.32 2g46 n GLY 83 Ca 0.00 -1.11 -0.12 0.00 0.00 0.00 0.00 46.02 44.79 2g46 n GLY 83 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2g46 n LEU 84 N -0.78 -1.12 -0.10 0.99 4.77 -1.26 -4.80 117.00 114.70 2g46 n LEU 84 Ca 0.39 0.21 -0.15 0.00 -0.03 0.00 0.00 56.01 56.42 2g46 n LEU 84 Cb 1.24 -2.12 -0.14 0.00 -2.33 0.00 0.00 43.42 40.07 2g46 n LEU 84 CO 0.34 -0.19 -1.17 0.29 -1.33 0.00 0.00 177.39 175.32 2g46 n LYS 85 N -2.69 0.67 -5.26 3.23 5.02 -1.26 -4.25 118.16 113.62 2g46 n LYS 85 Ca -0.14 0.12 -0.31 0.00 -2.02 0.00 0.00 58.31 55.96 2g46 n LYS 85 Cb 0.59 -1.56 -0.16 0.00 -0.02 0.00 0.00 35.03 33.87 2g46 n LYS 85 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2g46 s ARG 86 N -2.52 2.51 -0.16 1.97 0.52 -1.26 0.11 118.95 120.12 2g46 s ARG 86 Ca -0.24 -0.90 0.00 0.00 -0.52 0.00 0.00 55.73 54.07 2g46 s ARG 86 Cb 0.08 -2.16 0.04 0.00 0.52 0.00 0.00 34.95 33.43 2g46 s ARG 86 CO 0.71 0.40 -0.09 -1.64 0.02 0.00 0.00 175.30 174.70 2g46 s MET 87 N -0.21 1.79 -0.18 3.54 -1.94 -0.00 -3.01 119.30 119.29 2g46 s MET 87 Ca -0.02 -0.58 -0.08 0.00 -1.71 0.00 0.00 55.69 53.30 2g46 s MET 87 Cb -0.13 -2.08 -0.05 0.00 2.01 0.00 0.00 34.83 34.58 2g46 s MET 87 CO 0.03 -0.37 0.11 1.03 -0.01 0.00 0.00 175.02 175.81 2g46 s ARG 88 N 1.55 3.97 -0.69 2.03 0.52 -0.84 -0.92 118.95 124.57 2g46 s ARG 88 Ca 0.02 -0.25 -0.22 0.00 -0.52 0.00 0.00 55.73 54.76 2g46 s ARG 88 Cb -0.15 -3.30 0.08 0.00 0.52 0.00 0.00 34.95 32.11 2g46 s ARG 88 CO -0.09 0.38 0.95 0.42 0.02 0.00 0.00 175.30 176.99 2g46 s ILE 89 N 0.10 4.45 0.00 1.52 1.01 0.23 -0.04 121.20 128.46 2g46 s ILE 89 Ca 0.08 -0.62 0.00 0.00 0.00 0.00 0.00 60.65 60.11 2g46 s ILE 89 Cb -0.12 -4.67 0.00 0.00 0.01 0.00 0.00 42.46 37.68 2g46 s ILE 89 CO -0.00 -1.42 0.00 0.49 0.00 0.00 0.00 174.94 174.01 2g46 n PHE 90 N 7.36 -3.26 -3.71 3.97 3.72 0.14 -0.38 117.46 125.30 2g46 n PHE 90 Ca -0.01 0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 57.09 2g46 n PHE 90 Cb 0.45 0.00 -0.15 0.00 -0.94 0.00 0.00 39.48 38.85 2g46 n PHE 90 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 2g46 s THR 91 N 0.05 0.84 0.64 4.37 -4.23 -1.25 -2.17 115.64 113.89 2g46 s THR 91 Ca 0.00 -1.50 0.31 0.00 -1.18 0.00 0.00 61.69 59.32 2g46 s THR 91 Cb 0.00 -1.63 0.34 0.00 1.34 0.00 0.00 72.50 72.55 2g46 s THR 91 CO 0.00 -0.72 2.00 0.16 -0.54 0.00 0.00 174.62 175.52 2g46 h ILE 92 N 6.28 0.16 -3.85 2.99 3.07 -1.86 -0.65 117.51 123.65 2g46 h ILE 92 Ca -0.12 0.00 -0.09 0.00 1.55 0.00 0.00 64.86 66.20 2g46 h ILE 92 Cb 1.00 0.73 -0.14 0.00 -0.27 0.00 0.00 36.82 38.14 2g46 h ILE 92 CO 0.46 0.00 -0.38 -1.59 -1.05 0.00 0.00 178.15 175.60 2g46 s LYS 93 N -4.30 0.90 0.83 0.16 -2.85 -1.23 -4.79 119.74 108.46 2g46 s LYS 93 Ca -0.04 -1.02 -0.14 0.00 -1.00 0.00 0.00 55.97 53.77 2g46 s LYS 93 Cb 0.12 0.34 0.02 0.00 -2.06 0.00 0.00 37.83 36.25 2g46 s LYS 93 CO 0.39 -0.29 0.65 -2.30 0.10 0.00 0.00 175.35 173.89 2g46 n PRO 94 N -0.09 0.05 -3.92 1.78 -0.02 -1.26 -4.46 135.00 127.08 2g46 n PRO 94 Ca -0.13 0.07 -0.15 0.00 -2.02 0.00 0.00 63.50 61.27 2g46 n PRO 94 Cb 0.63 -1.99 -0.15 0.00 -0.02 0.00 0.00 33.50 31.97 2g46 n PRO 94 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2g46 s ILE 95 N -2.14 0.12 0.45 4.25 1.01 -0.38 -4.90 121.20 119.61 2g46 s ILE 95 Ca 0.64 0.03 0.04 0.00 0.00 0.00 0.00 60.65 61.36 2g46 s ILE 95 Cb -0.28 -0.17 0.01 0.00 0.01 0.00 0.00 42.46 42.03 2g46 s ILE 95 CO 0.60 0.08 0.64 0.00 0.00 0.00 0.00 174.94 176.26 2g46 s ALA 96 N 0.50 4.10 -0.03 9.38 0.00 -1.26 -1.42 121.76 133.03 2g46 s ALA 96 Ca -0.05 -1.38 -0.30 0.00 0.00 0.00 0.00 51.96 50.23 2g46 s ALA 96 Cb -0.07 -1.90 -0.07 0.00 0.00 0.00 0.00 23.12 21.08 2g46 s ALA 96 CO -0.01 -0.41 1.77 0.42 0.00 0.00 0.00 175.76 177.53 2g46 s ILE 97 N -2.50 3.38 0.00 0.00 1.09 -0.67 -2.76 121.20 119.74 2g46 s ILE 97 Ca 0.52 0.45 0.00 0.00 -1.10 0.00 0.00 60.65 60.53 2g46 s ILE 97 Cb -0.10 -3.30 0.00 0.00 -1.06 0.00 0.00 42.46 38.00 2g46 s ILE 97 CO 0.35 -0.05 0.00 0.61 -0.10 0.00 0.00 174.94 175.76 2g46 n GLY 98 N 4.32 1.93 3.77 6.18 0.00 -0.54 -4.93 105.19 115.90 2g46 n GLY 98 Ca 0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 2g46 n GLY 98 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2g46 s GLU 99 N -0.85 3.15 -0.23 1.61 0.41 -1.10 -4.92 118.70 116.77 2g46 s GLU 99 Ca 0.00 -0.33 -0.21 0.00 -0.41 0.00 0.00 54.97 54.01 2g46 s GLU 99 Cb 0.00 -2.93 -0.02 0.00 -1.78 0.00 0.00 34.13 29.40 2g46 s GLU 99 CO 0.00 0.72 0.68 -2.00 -0.49 0.00 0.00 175.26 174.16 2g46 s GLU 100 N -1.10 4.17 -0.19 1.61 -6.30 -1.26 0.00 118.70 115.63 2g46 s GLU 100 Ca 0.16 0.67 -0.21 0.00 -2.50 0.00 0.00 54.97 53.09 2g46 s GLU 100 Cb -0.12 -3.62 -0.03 0.00 0.00 0.00 0.00 34.13 30.37 2g46 s GLU 100 CO 0.05 -0.37 0.63 0.42 0.02 0.00 0.00 175.26 176.02 2g46 s ILE 101 N 2.34 5.02 0.24 -3.70 1.01 0.17 -4.64 121.20 121.63 2g46 s ILE 101 Ca 0.29 1.19 0.01 0.00 0.00 0.00 0.00 60.65 62.15 2g46 s ILE 101 Cb -0.16 -3.95 -0.00 0.00 0.01 0.00 0.00 42.46 38.36 2g46 s ILE 101 CO 0.09 0.11 0.29 0.35 0.00 0.00 0.00 174.94 175.78 2g46 n THR 102 N 4.67 0.00 -3.71 2.92 -2.24 -1.26 -2.85 114.28 111.82 2g46 n THR 102 Ca -0.01 -1.40 -0.10 0.00 -2.27 0.00 0.00 64.05 60.27 2g46 n THR 102 Cb 0.50 0.79 -0.05 0.00 -2.10 0.00 0.00 70.33 69.47 2g46 n THR 102 CO 0.00 0.00 0.00 0.27 -0.57 0.00 0.00 175.07 174.77 2g46 s ILE 103 N -2.78 0.09 0.22 2.28 -4.36 -1.00 -4.06 121.20 111.58 2g46 s ILE 103 Ca 0.23 -0.77 0.01 0.00 -0.26 0.00 0.00 60.65 59.86 2g46 s ILE 103 Cb 0.00 -1.25 0.04 0.00 1.25 0.00 0.00 42.46 42.51 2g46 s ILE 103 CO 0.16 -0.40 0.30 -0.24 0.24 0.00 0.00 174.94 175.00 2g46 n SER 104 N -0.18 0.49 0.04 4.36 2.88 -1.26 -4.34 113.62 115.61 2g46 n SER 104 Ca -0.15 -1.39 0.00 0.00 -1.33 0.00 0.00 58.87 55.99 2g46 n SER 104 Cb 0.63 -0.18 0.00 0.00 -0.75 0.00 0.00 64.21 63.91 2g46 n SER 104 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 2g46 n TYR 105 N -1.72 -0.40 -4.43 0.66 4.01 -1.26 -5.10 117.16 108.92 2g46 n TYR 105 Ca 0.05 0.07 0.00 0.00 -0.16 0.00 0.00 57.90 57.86 2g46 n TYR 105 Cb 0.19 0.15 0.00 0.00 -0.31 0.00 0.00 39.34 39.37 2g46 n TYR 105 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2g46 n GLY 106 N 2.95 -0.49 5.15 2.72 0.00 -1.26 -4.82 105.19 109.45 2g46 n GLY 106 Ca 0.00 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 44.91 2g46 n GLY 106 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2g46 n ASP 107 N -1.26 0.00 0.00 1.61 8.00 -1.26 -2.17 116.55 121.48 2g46 n ASP 107 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 2g46 n ASP 107 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 2g46 n ASP 107 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 2g46 n ASP 108 N 1.90 2.35 -4.51 -2.24 -0.08 -1.26 -5.00 116.55 107.71 2g46 n ASP 108 Ca 0.00 0.00 -0.40 0.00 -1.51 0.00 0.00 54.79 52.88 2g46 n ASP 108 Cb 0.00 0.12 -0.10 0.00 2.34 0.00 0.00 41.12 43.48 2g46 n ASP 108 CO 0.00 0.00 0.00 -1.22 0.12 0.00 0.00 177.20 176.10 2g46 n TYR 109 N -1.70 1.00 -1.69 -0.67 4.02 -0.92 -4.80 117.16 112.40 2g46 n TYR 109 Ca 0.00 0.28 -0.50 0.00 -0.01 0.00 0.00 57.90 57.67 2g46 n TYR 109 Cb 0.26 -2.49 -0.05 0.00 -0.02 0.00 0.00 39.34 37.04 2g46 n TYR 109 CO 0.00 0.00 0.00 -2.67 -1.01 0.00 0.00 176.86 173.18 2g46 n TRP 110 N 12.53 2.29 -0.17 -0.72 4.27 -1.26 -4.12 117.44 130.26 2g46 n TRP 110 Ca 0.52 0.08 0.00 0.00 -3.89 0.00 0.00 57.50 54.22 2g46 n TRP 110 Cb 0.25 -2.63 0.00 0.00 -1.36 0.00 0.00 31.31 27.57 2g46 n TRP 110 CO 0.00 0.00 0.00 -0.11 -2.29 0.00 0.00 177.69 175.29 2g46 n LEU 111 N 6.34 0.00 -3.96 5.67 7.94 -1.26 -5.01 117.00 126.71 2g46 n LEU 111 Ca 0.23 0.00 -0.31 0.00 -1.11 0.00 0.00 56.01 54.82 2g46 n LEU 111 Cb 0.27 0.00 -0.11 0.00 0.53 0.00 0.00 43.42 44.11 2g46 n LEU 111 CO 0.74 0.00 0.02 -0.55 -1.11 0.00 0.00 177.39 176.49 2g46 s SER 112 N -1.00 5.01 -1.29 1.96 0.15 -1.26 -4.82 113.70 112.45 2g46 s SER 112 Ca 0.00 -3.63 -0.04 0.00 0.70 0.00 0.00 55.95 52.97 2g46 s SER 112 Cb 0.00 -1.71 -0.00 0.00 -1.71 0.00 0.00 66.02 62.60 2g46 s SER 112 CO 0.00 -0.15 0.65 -1.14 1.20 0.00 0.00 173.24 173.80 2g46 n ARG 113 N 2.32 -3.63 0.26 5.44 0.63 -1.26 -4.91 116.66 115.51 2g46 n ARG 113 Ca 0.17 0.54 -0.11 0.00 -0.92 0.00 0.00 57.85 57.53 2g46 n ARG 113 Cb 0.35 -4.82 -0.05 0.00 0.45 0.00 0.00 32.46 28.39 2g46 n ARG 113 CO 0.00 0.00 0.00 -1.00 -2.51 0.00 0.00 177.63 174.12 2g46 h PRO 114 N -1.83 -0.66 0.00 -0.14 0.13 -2.01 -3.45 132.00 124.05 2g46 h PRO 114 Ca -0.63 0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.55 2g46 h PRO 114 Cb 1.36 0.15 0.00 0.00 0.13 0.00 0.00 31.00 32.64 2g46 h PRO 114 CO 0.56 -0.44 0.00 -2.13 -0.23 0.00 0.00 178.00 175.76 2g46 n ARG 115 N -4.42 0.00 -3.88 0.86 0.63 -1.26 -4.70 116.66 103.90 2g46 n ARG 115 Ca -0.09 0.00 -0.28 0.00 -0.92 0.00 0.00 57.85 56.56 2g46 n ARG 115 Cb 0.27 0.00 0.03 0.00 0.45 0.00 0.00 32.46 33.21 2g46 n ARG 115 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 2g46 n LEU 116 N 0.00 -2.64 -4.66 6.15 7.99 -1.26 -4.91 117.00 117.67 2g46 n LEU 116 Ca 0.00 -0.79 -0.33 0.00 -0.01 0.00 0.00 56.01 54.88 2g46 n LEU 116 Cb 0.00 -2.56 0.14 0.00 -0.11 0.00 0.00 43.42 40.89 2g46 n LEU 116 CO 0.00 0.46 0.67 0.41 -1.51 0.00 0.00 177.39 177.41 2g46 n THR 117 N -4.60 1.16 -1.91 -5.08 -1.04 -1.26 -4.91 114.28 96.63 2g46 n THR 117 Ca -0.03 -0.13 -0.36 0.00 -2.04 0.00 0.00 64.05 61.49 2g46 n THR 117 Cb 0.56 -1.08 0.04 0.00 -1.82 0.00 0.00 70.33 68.03 2g46 n THR 117 CO 0.00 0.00 0.00 1.67 -0.64 0.00 0.00 175.07 176.10 2g46 n GLN 118 N -3.49 2.90 0.00 -2.82 7.27 -1.26 -5.30 117.38 114.69 2g46 n GLN 118 Ca 0.13 -3.68 0.00 0.00 0.07 0.00 0.00 57.00 53.52 2g46 n GLN 118 Cb 0.51 -2.27 0.00 0.00 2.41 0.00 0.00 30.24 30.89 2g46 n GLN 118 CO 0.00 0.00 0.00 -1.71 0.07 0.00 0.00 177.06 175.42