#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 2.35 -4.30 2.03 1.16 -1.26 -4.80 117.46 112.64 2g46 n PHE 2 Ca 0.00 0.52 -0.16 0.00 -1.87 0.00 0.00 57.45 55.94 2g46 n PHE 2 Cb 0.00 -2.42 -0.10 0.00 -1.61 0.00 0.00 39.48 35.35 2g46 n PHE 2 CO 0.00 0.00 0.00 0.54 -1.87 0.00 0.00 176.76 175.43 2g46 s ASN 3 N -0.35 1.69 0.61 5.98 4.22 0.70 -4.97 114.94 122.84 2g46 s ASN 3 Ca 0.57 -1.19 0.27 0.00 -2.14 0.00 0.00 52.86 50.37 2g46 s ASN 3 Cb -0.54 0.03 1.36 0.00 1.28 0.00 0.00 41.25 43.38 2g46 s ASN 3 CO 0.61 -0.50 1.77 -0.78 -2.04 0.00 0.00 177.10 176.16 2g46 h ASP 4 N 2.55 0.00 0.08 3.54 3.58 -2.04 -0.03 116.42 124.11 2g46 h ASP 4 Ca -0.38 0.00 -0.17 0.00 0.42 0.00 0.00 57.03 56.91 2g46 h ASP 4 Cb 1.22 0.00 0.02 0.00 1.72 0.00 0.00 39.33 42.28 2g46 h ASP 4 CO 0.64 0.00 -0.70 0.03 -2.88 0.00 0.00 179.24 176.33 2g46 h ARG 5 N 0.00 0.33 0.00 0.28 2.47 -1.98 -3.46 114.38 112.02 2g46 h ARG 5 Ca 0.19 -0.47 -0.04 0.00 -1.26 0.00 0.00 59.98 58.40 2g46 h ARG 5 Cb 1.34 0.16 -0.01 0.00 -1.65 0.00 0.00 29.97 29.81 2g46 h ARG 5 CO -0.00 1.18 0.01 1.33 0.56 0.00 0.00 179.97 183.04 2g46 n VAL 6 N -4.18 0.00 -3.82 2.04 0.24 -0.03 -3.93 118.33 108.66 2g46 n VAL 6 Ca -0.12 -0.31 -0.12 0.00 -2.04 0.00 0.00 64.34 61.74 2g46 n VAL 6 Cb 0.75 0.23 -0.11 0.00 -1.47 0.00 0.00 33.84 33.24 2g46 n VAL 6 CO 0.00 0.00 0.00 -0.51 -2.14 0.00 0.00 176.83 174.18 2g46 s ILE 7 N -2.64 0.03 -0.29 1.34 2.07 -0.79 -0.21 121.20 120.71 2g46 s ILE 7 Ca 0.05 -0.21 -0.21 0.00 -1.41 0.00 0.00 60.65 58.87 2g46 s ILE 7 Cb -0.01 -0.34 -0.01 0.00 0.13 0.00 0.00 42.46 42.24 2g46 s ILE 7 CO 0.04 -0.12 0.65 -0.69 -1.91 0.00 0.00 174.94 172.91 2g46 s VAL 8 N -0.38 4.94 0.04 4.00 1.01 -1.26 -1.21 120.40 127.54 2g46 s VAL 8 Ca -0.05 1.00 0.08 0.00 0.00 0.00 0.00 61.98 63.01 2g46 s VAL 8 Cb -0.03 -3.99 -0.03 0.00 0.00 0.00 0.00 36.38 32.33 2g46 s VAL 8 CO 0.01 -0.09 -0.24 -0.54 0.00 0.00 0.00 175.10 174.24 2g46 s LYS 9 N 2.61 1.65 -0.72 2.72 1.02 -0.97 -4.85 119.74 121.19 2g46 s LYS 9 Ca 0.26 -1.04 -0.04 0.00 0.02 0.00 0.00 55.97 55.18 2g46 s LYS 9 Cb -0.15 -1.80 0.01 0.00 -0.52 0.00 0.00 37.83 35.37 2g46 s LYS 9 CO 0.11 0.46 0.66 1.63 -0.92 0.00 0.00 175.35 177.29 2g46 n LYS 10 N 1.83 -1.53 -2.16 1.68 4.01 -1.11 0.42 118.16 121.30 2g46 n LYS 10 Ca -0.17 1.32 -0.06 0.00 -0.51 0.00 0.00 58.31 58.90 2g46 n LYS 10 Cb 0.52 -4.45 -0.00 0.00 -0.51 0.00 0.00 35.03 30.59 2g46 n LYS 10 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 2g46 n SER 11 N -1.81 1.66 -0.28 4.39 2.88 -1.26 -5.01 113.62 114.20 2g46 n SER 11 Ca -0.09 -1.41 0.07 0.00 -1.33 0.00 0.00 58.87 56.11 2g46 n SER 11 Cb 0.57 0.02 0.31 0.00 -0.75 0.00 0.00 64.21 64.36 2g46 n SER 11 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 2g46 n PRO 12 N -0.60 1.36 0.00 -1.46 -0.04 -1.26 -4.09 135.00 128.91 2g46 n PRO 12 Ca -0.02 -0.54 0.00 0.00 -0.04 0.00 0.00 63.50 62.90 2g46 n PRO 12 Cb 0.13 -1.26 0.00 0.00 -0.04 0.00 0.00 33.50 32.33 2g46 n PRO 12 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2g46 n LEU 13 N -0.17 1.83 0.00 1.53 4.77 -1.26 -5.15 117.00 118.55 2g46 n LEU 13 Ca 0.11 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.09 2g46 n LEU 13 Cb 0.17 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 2g46 n LEU 13 CO 0.08 0.28 0.00 0.61 -1.33 0.00 0.00 177.39 177.04 2g46 n GLY 14 N 2.99 4.32 0.00 -0.72 0.00 -1.26 -5.17 105.19 105.36 2g46 n GLY 14 Ca 0.00 -1.41 0.00 0.00 0.00 0.00 0.00 46.02 44.61 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 -1.75 2.77 3.46 -0.02 0.00 -1.26 -4.80 105.19 103.58 2g46 n GLY 15 Ca 0.00 -1.21 -0.44 0.00 0.00 0.00 0.00 46.02 44.38 2g46 n GLY 15 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2g46 s TYR 16 N 0.00 2.95 0.02 1.61 6.14 -1.26 -2.74 117.35 124.07 2g46 s TYR 16 Ca 0.00 -0.46 0.00 0.00 0.64 0.00 0.00 57.07 57.25 2g46 s TYR 16 Cb 0.00 -3.79 0.00 0.00 0.42 0.00 0.00 41.96 38.59 2g46 s TYR 16 CO 0.00 -1.20 0.03 0.41 0.64 0.00 0.00 175.55 175.43 2g46 n GLY 17 N 5.19 3.26 3.75 8.97 0.00 0.17 -4.43 105.19 122.09 2g46 n GLY 17 Ca -0.05 -1.45 -0.33 0.00 0.00 0.00 0.00 46.02 44.19 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 -2.38 4.54 -0.23 1.61 1.01 -1.09 -2.30 120.40 121.57 2g46 s VAL 18 Ca 0.02 -0.48 -0.05 0.00 0.00 0.00 0.00 61.98 61.48 2g46 s VAL 18 Cb -0.00 -3.06 -0.02 0.00 0.00 0.00 0.00 36.38 33.30 2g46 s VAL 18 CO 0.01 0.36 -0.01 -0.36 0.00 0.00 0.00 175.10 175.10 2g46 s PHE 19 N -1.16 3.00 -0.93 5.22 0.40 -0.35 -0.05 117.98 124.11 2g46 s PHE 19 Ca 0.22 -0.75 -0.19 0.00 -0.60 0.00 0.00 56.93 55.61 2g46 s PHE 19 Cb -0.12 -2.14 0.13 0.00 0.51 0.00 0.00 43.02 41.40 2g46 s PHE 19 CO 0.13 -0.47 1.12 0.00 0.70 0.00 0.00 175.22 176.70 2g46 s ALA 20 N 1.47 3.37 0.60 5.36 0.00 0.63 -1.89 121.76 131.31 2g46 s ALA 20 Ca 0.05 -2.76 0.31 0.00 0.00 0.00 0.00 51.96 49.57 2g46 s ALA 20 Cb -0.15 -4.05 1.83 0.00 0.00 0.00 0.00 23.12 20.76 2g46 s ALA 20 CO -0.01 -2.98 2.19 -0.09 0.00 0.00 0.00 175.76 174.87 2g46 h ARG 21 N 8.84 0.00 -6.96 0.00 9.65 -1.82 -1.82 114.38 122.27 2g46 h ARG 21 Ca 0.15 0.00 -0.48 0.00 -1.10 0.00 0.00 59.98 58.55 2g46 h ARG 21 Cb 1.02 0.00 0.07 0.00 -1.39 0.00 0.00 29.97 29.67 2g46 h ARG 21 CO 1.11 0.00 0.04 0.15 2.80 0.00 0.00 179.97 184.07 2g46 s LYS 22 N -4.54 1.82 0.00 0.20 1.02 -1.25 -3.51 119.74 113.48 2g46 s LYS 22 Ca -0.05 -1.36 0.00 0.00 0.02 0.00 0.00 55.97 54.58 2g46 s LYS 22 Cb 0.15 -2.44 0.00 0.00 -0.52 0.00 0.00 37.83 35.02 2g46 s LYS 22 CO 0.51 -1.30 0.00 0.43 -0.92 0.00 0.00 175.35 174.07 2g46 n SER 23 N -2.66 0.00 -4.66 2.83 7.64 0.35 -2.99 113.62 114.12 2g46 n SER 23 Ca 0.16 0.00 -0.23 0.00 1.01 0.00 0.00 58.87 59.81 2g46 n SER 23 Cb 0.61 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.74 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 2.74 0.00 1.43 0.08 -0.99 -4.96 117.98 114.28 2g46 s PHE 24 Ca 0.00 -0.21 0.00 0.00 0.12 0.00 0.00 56.93 56.84 2g46 s PHE 24 Cb 0.00 -1.22 0.00 0.00 -0.57 0.00 0.00 43.02 41.23 2g46 s PHE 24 CO 0.00 0.61 0.00 -1.91 -0.10 0.00 0.00 175.22 173.82 2g46 n GLU 25 N -0.92 2.46 -3.06 0.44 2.13 -1.26 -2.24 120.64 118.19 2g46 n GLU 25 Ca -0.07 0.00 -0.44 0.00 0.66 0.00 0.00 57.16 57.32 2g46 n GLU 25 Cb 0.59 0.00 0.01 0.00 0.27 0.00 0.00 31.44 32.30 2g46 n GLU 25 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 2g46 n LYS 26 N 0.00 4.09 0.00 5.31 4.81 -1.26 -2.86 118.16 128.25 2g46 n LYS 26 Ca 0.00 -4.43 0.00 0.00 -0.87 0.00 0.00 58.31 53.01 2g46 n LYS 26 Cb 0.00 -2.57 0.00 0.00 0.02 0.00 0.00 35.03 32.48 2g46 n LYS 26 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2g46 n GLY 27 N 1.95 0.78 0.39 3.14 0.00 0.34 -4.83 105.19 106.96 2g46 n GLY 27 Ca 0.27 -0.63 0.01 0.00 0.00 0.00 0.00 46.02 45.67 2g46 n GLY 27 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2g46 n GLU 28 N 0.00 0.13 -1.64 1.61 -0.58 -1.26 -4.88 120.64 114.02 2g46 n GLU 28 Ca 0.00 -1.05 0.00 0.00 -0.42 0.00 0.00 57.16 55.69 2g46 n GLU 28 Cb 0.00 -0.58 0.00 0.00 -0.57 0.00 0.00 31.44 30.29 2g46 n GLU 28 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 2g46 n LEU 29 N -0.11 -1.84 0.00 -4.62 7.94 -1.26 -4.92 117.00 112.19 2g46 n LEU 29 Ca 0.01 2.98 0.00 0.00 -1.11 0.00 0.00 56.01 57.89 2g46 n LEU 29 Cb 0.66 -3.26 0.00 0.00 0.53 0.00 0.00 43.42 41.35 2g46 n LEU 29 CO 0.00 -0.53 -0.33 0.52 -1.11 0.00 0.00 177.39 175.94 2g46 n VAL 30 N -2.23 0.00 -3.56 1.96 0.31 0.37 -4.78 118.33 110.39 2g46 n VAL 30 Ca 0.00 0.00 -0.06 0.00 -0.01 0.00 0.00 64.34 64.27 2g46 n VAL 30 Cb 0.38 -0.33 -0.02 0.00 -0.91 0.00 0.00 33.84 32.96 2g46 n VAL 30 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 2g46 s GLU 31 N -1.65 0.69 -0.12 5.55 2.56 -1.25 -4.96 118.70 119.52 2g46 s GLU 31 Ca 0.00 -0.28 -0.19 0.00 0.00 0.00 0.00 54.97 54.50 2g46 s GLU 31 Cb 0.00 0.30 0.05 0.00 2.00 0.00 0.00 34.13 36.47 2g46 s GLU 31 CO 0.00 -0.30 0.48 -1.83 -0.56 0.00 0.00 175.26 173.04 2g46 s GLU 32 N -2.89 0.67 0.00 4.30 1.03 -1.26 -1.04 118.70 119.51 2g46 s GLU 32 Ca 0.08 0.41 0.00 0.00 0.03 0.00 0.00 54.97 55.48 2g46 s GLU 32 Cb -0.01 0.32 0.00 0.00 -0.80 0.00 0.00 34.13 33.64 2g46 s GLU 32 CO -0.06 -0.14 0.00 0.00 -1.33 0.00 0.00 175.26 173.73 2g46 s LEU 34 N 0.00 3.19 0.03 0.00 1.02 -1.26 -1.35 118.68 120.31 2g46 s LEU 34 Ca 0.00 -0.78 -0.07 0.00 0.02 0.00 0.00 54.13 53.29 2g46 s LEU 34 Cb 0.00 -1.80 -0.00 0.00 0.02 0.00 0.00 46.19 44.40 2g46 s LEU 34 CO 0.00 -1.23 0.14 0.00 0.02 0.00 0.00 176.35 175.28 2g46 s ILE 36 N -2.29 4.92 -0.36 0.00 1.01 -0.96 -4.80 121.20 118.72 2g46 s ILE 36 Ca -0.07 -1.28 -0.22 0.00 0.00 0.00 0.00 60.65 59.07 2g46 s ILE 36 Cb -0.03 -4.53 0.01 0.00 0.01 0.00 0.00 42.46 37.92 2g46 s ILE 36 CO -0.03 -1.17 0.74 -0.69 0.00 0.00 0.00 174.94 173.79 2g46 s VAL 37 N 2.34 4.78 0.08 2.92 1.01 -1.26 -0.92 120.40 129.35 2g46 s VAL 37 Ca 0.15 0.81 0.07 0.00 0.00 0.00 0.00 61.98 63.01 2g46 s VAL 37 Cb -0.20 -4.17 -0.03 0.00 0.00 0.00 0.00 36.38 31.99 2g46 s VAL 37 CO 0.02 -0.39 -0.20 -0.13 0.00 0.00 0.00 175.10 174.41 2g46 s ARG 38 N 2.97 1.12 0.92 2.72 1.81 0.28 -4.97 118.95 123.80 2g46 s ARG 38 Ca 0.29 -1.07 -0.11 0.00 -1.72 0.00 0.00 55.73 53.13 2g46 s ARG 38 Cb -0.14 -1.31 0.12 0.00 -0.45 0.00 0.00 34.95 33.18 2g46 s ARG 38 CO 0.16 0.31 0.99 0.72 -0.68 0.00 0.00 175.30 176.80 2g46 n HIS 39 N 1.31 0.37 -2.12 -0.53 8.25 -1.26 -2.46 115.22 118.78 2g46 n HIS 39 Ca -0.19 0.36 -0.43 0.00 -0.26 0.00 0.00 57.72 57.20 2g46 n HIS 39 Cb 0.54 -1.96 -0.03 0.00 1.12 0.00 0.00 29.99 29.66 2g46 n HIS 39 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2g46 s ASN 40 N -2.49 6.26 0.00 0.41 2.20 -1.26 -4.49 114.94 115.57 2g46 s ASN 40 Ca 0.65 1.46 0.00 0.00 -0.94 0.00 0.00 52.86 54.03 2g46 s ASN 40 Cb -0.23 -2.53 0.00 0.00 -2.00 0.00 0.00 41.25 36.49 2g46 s ASN 40 CO 0.60 -1.38 0.00 -0.67 -2.94 0.00 0.00 177.10 172.71 2g46 n ASP 41 N 8.90 0.64 0.05 3.54 -0.08 -1.26 -4.93 116.55 123.42 2g46 n ASP 41 Ca 0.19 0.00 0.21 0.00 -1.51 0.00 0.00 54.79 53.69 2g46 n ASP 41 Cb 0.46 0.00 0.69 0.00 2.34 0.00 0.00 41.12 44.61 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 0.00 0.00 0.32 1.67 5.19 -2.00 -0.05 116.42 121.56 2g46 h ASP 42 Ca 0.00 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.39 2g46 h ASP 42 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 2g46 h ASP 42 CO 0.00 0.00 -0.16 -0.25 -3.12 0.00 0.00 179.24 175.71 2g46 h TRP 43 N 0.00 -0.40 -0.58 4.55 2.91 -1.92 0.18 115.95 120.68 2g46 h TRP 43 Ca 0.24 -0.01 0.11 0.00 1.13 0.00 0.00 58.89 60.36 2g46 h TRP 43 Cb 1.40 0.13 -0.03 0.00 -0.51 0.00 0.00 29.16 30.15 2g46 h TRP 43 CO 0.00 -0.09 0.39 0.78 -1.03 0.00 0.00 178.44 178.50 2g46 h GLY 44 N -0.74 0.42 0.06 2.65 0.00 -1.24 0.28 103.07 104.51 2g46 h GLY 44 Ca -0.04 -0.12 -0.00 0.00 0.00 0.00 0.00 47.33 47.16 2g46 h GLY 44 CO 0.07 0.06 -0.03 -0.84 0.00 0.00 0.00 176.54 175.81 2g46 h THR 45 N 0.29 0.00 -0.34 4.70 2.02 -1.27 -2.32 112.91 115.99 2g46 h THR 45 Ca 0.27 -0.61 0.07 0.00 0.77 0.00 0.00 66.41 66.91 2g46 h THR 45 Cb 0.68 0.00 -0.08 0.00 -1.74 0.00 0.00 68.15 67.01 2g46 h THR 45 CO -0.06 0.00 -0.19 0.00 0.37 0.00 0.00 175.52 175.64 2g46 h ALA 46 N -1.35 0.05 -0.56 6.16 0.00 -0.55 0.19 119.26 123.21 2g46 h ALA 46 Ca -0.01 0.12 -0.29 0.00 0.00 0.00 0.00 54.91 54.73 2g46 h ALA 46 Cb 0.06 0.44 -0.17 0.00 0.00 0.00 0.00 17.79 18.12 2g46 h ALA 46 CO 0.01 -0.57 0.37 1.28 0.00 0.00 0.00 179.25 180.34 2g46 n LEU 47 N -5.36 5.10 -0.04 0.00 7.99 0.08 -4.59 117.00 120.18 2g46 n LEU 47 Ca 0.01 -2.68 0.23 0.00 -0.01 0.00 0.00 56.01 53.56 2g46 n LEU 47 Cb 0.27 -0.69 0.54 0.00 -0.11 0.00 0.00 43.42 43.43 2g46 n LEU 47 CO 0.13 0.81 1.21 1.05 -1.51 0.00 0.00 177.39 179.08 2g46 h GLU 48 N 0.56 0.00 -5.97 3.23 -0.00 -0.36 -3.34 114.58 108.71 2g46 h GLU 48 Ca 0.36 0.00 -0.59 0.00 -0.00 0.00 0.00 59.36 59.13 2g46 h GLU 48 Cb 2.04 0.00 -0.03 0.00 -0.00 0.00 0.00 28.75 30.75 2g46 h GLU 48 CO 0.62 0.00 -0.48 0.16 -0.00 0.00 0.00 179.01 179.31 2g46 s ASP 49 N -4.12 6.36 -1.96 3.06 1.47 -1.26 -4.30 116.67 115.91 2g46 s ASP 49 Ca -0.03 0.24 0.00 0.00 1.18 0.00 0.00 52.55 53.94 2g46 s ASP 49 Cb 0.13 -1.95 0.00 0.00 -0.34 0.00 0.00 42.92 40.77 2g46 s ASP 49 CO 0.45 0.12 0.00 -1.22 0.68 0.00 0.00 175.17 175.21 2g46 n TYR 50 N -0.02 0.00 -3.84 2.11 4.01 -1.26 -4.96 117.16 113.20 2g46 n TYR 50 Ca -0.06 0.00 -0.36 0.00 -0.16 0.00 0.00 57.90 57.32 2g46 n TYR 50 Cb 0.52 -3.24 -0.12 0.00 -0.31 0.00 0.00 39.34 36.19 2g46 n TYR 50 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 2g46 s LEU 51 N -4.21 3.61 -0.53 7.72 1.43 -1.25 -2.66 118.68 122.79 2g46 s LEU 51 Ca 0.00 -0.10 -0.22 0.00 -1.03 0.00 0.00 54.13 52.78 2g46 s LEU 51 Cb 0.00 -1.95 0.05 0.00 0.03 0.00 0.00 46.19 44.31 2g46 s LEU 51 CO 0.00 0.03 0.83 -0.36 0.23 0.00 0.00 176.35 177.08 2g46 s PHE 52 N 1.23 2.89 -0.27 0.29 0.40 0.13 -4.85 117.98 117.80 2g46 s PHE 52 Ca 0.05 -0.18 -0.22 0.00 -0.60 0.00 0.00 56.93 55.97 2g46 s PHE 52 Cb -0.14 -3.87 -0.01 0.00 0.51 0.00 0.00 43.02 39.51 2g46 s PHE 52 CO 0.04 -1.22 0.72 -1.54 0.70 0.00 0.00 175.22 173.91 2g46 s SER 53 N 2.75 6.65 0.56 1.36 1.04 -1.26 -1.45 113.70 123.35 2g46 s SER 53 Ca 0.25 0.73 0.07 0.00 0.48 0.00 0.00 55.95 57.49 2g46 s SER 53 Cb -0.15 -2.38 0.10 0.00 0.10 0.00 0.00 66.02 63.69 2g46 s SER 53 CO 0.17 -0.48 0.76 -1.14 0.98 0.00 0.00 173.24 173.53 2g46 n ARG 54 N 5.93 0.53 -2.72 4.02 0.63 0.30 -4.96 116.66 120.38 2g46 n ARG 54 Ca 0.02 -2.79 -0.43 0.00 -0.92 0.00 0.00 57.85 53.73 2g46 n ARG 54 Cb 0.48 -0.28 -0.00 0.00 0.45 0.00 0.00 32.46 33.11 2g46 n ARG 54 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 2g46 s LYS 55 N -4.48 3.97 0.00 -0.14 3.01 -1.26 -2.83 119.74 118.01 2g46 s LYS 55 Ca 0.56 -2.11 0.00 0.00 -1.01 0.00 0.00 55.97 53.42 2g46 s LYS 55 Cb -0.04 -5.32 0.00 0.00 -1.01 0.00 0.00 37.83 31.45 2g46 s LYS 55 CO 0.36 -2.06 0.00 0.27 0.51 0.00 0.00 175.35 174.43 2g46 n ASN 56 N 7.39 0.00 -0.20 2.83 0.23 -1.26 -5.12 115.26 119.12 2g46 n ASN 56 Ca 0.42 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.47 2g46 n ASN 56 Cb 0.46 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.16 2g46 n ASN 56 CO 0.00 0.00 0.00 1.15 -0.93 0.00 0.00 177.26 177.48 2g46 n MET 57 N 0.00 0.00 -3.93 -3.83 0.00 -1.13 -4.62 117.12 103.61 2g46 n MET 57 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 57.70 57.60 2g46 n MET 57 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 33.22 33.12 2g46 n MET 57 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 175.97 174.43 2g46 s SER 58 N 1.40 0.17 0.01 3.17 1.04 -1.03 -0.54 113.70 117.92 2g46 s SER 58 Ca 0.00 -0.48 0.00 0.00 0.48 0.00 0.00 55.95 55.96 2g46 s SER 58 Cb 0.00 0.20 -0.01 0.00 0.10 0.00 0.00 66.02 66.31 2g46 s SER 58 CO 0.00 -0.45 -0.02 0.00 0.98 0.00 0.00 173.24 173.75 2g46 s ALA 59 N -2.21 0.13 0.31 5.32 0.00 -0.52 -0.56 121.76 124.24 2g46 s ALA 59 Ca -0.08 -0.37 -0.09 0.00 0.00 0.00 0.00 51.96 51.42 2g46 s ALA 59 Cb -0.04 0.07 -0.06 0.00 0.00 0.00 0.00 23.12 23.09 2g46 s ALA 59 CO -0.03 -0.08 0.63 1.41 0.00 0.00 0.00 175.76 177.70 2g46 s MET 60 N -0.87 3.76 -0.47 0.00 1.75 -0.10 0.17 119.30 123.54 2g46 s MET 60 Ca -0.09 0.28 -0.23 0.00 -1.25 0.00 0.00 55.69 54.40 2g46 s MET 60 Cb -0.06 -2.55 0.03 0.00 2.84 0.00 0.00 34.83 35.09 2g46 s MET 60 CO -0.00 0.16 0.82 0.00 -0.65 0.00 0.00 175.02 175.35 2g46 s ALA 61 N -2.09 3.26 0.00 4.11 0.00 -1.09 -2.27 121.76 123.69 2g46 s ALA 61 Ca 0.48 -1.05 0.00 0.00 0.00 0.00 0.00 51.96 51.39 2g46 s ALA 61 Cb -0.11 -3.53 0.00 0.00 0.00 0.00 0.00 23.12 19.48 2g46 s ALA 61 CO 0.27 -2.03 0.25 1.47 0.00 0.00 0.00 175.76 175.73 2g46 n LEU 62 N 6.88 0.00 0.00 0.00 -0.00 -0.22 -4.58 117.00 119.09 2g46 n LEU 62 Ca 0.02 0.25 0.00 0.00 -0.00 0.00 0.00 56.01 56.29 2g46 n LEU 62 Cb 0.48 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.90 2g46 n LEU 62 CO 0.60 0.00 0.00 0.61 -0.00 0.00 0.00 177.39 178.60 2g46 n GLY 63 N -0.30 -2.99 2.43 1.47 0.00 -1.26 -4.63 105.19 99.92 2g46 n GLY 63 Ca 0.00 -0.99 -0.20 0.00 0.00 0.00 0.00 46.02 44.83 2g46 n GLY 63 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 2g46 n PHE 64 N -2.56 1.10 0.05 1.61 -1.74 -1.26 -4.18 117.46 110.48 2g46 n PHE 64 Ca 0.00 -1.83 0.04 0.00 -0.56 0.00 0.00 57.45 55.10 2g46 n PHE 64 Cb 0.00 -1.65 -0.07 0.00 1.52 0.00 0.00 39.48 39.29 2g46 n PHE 64 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 2g46 n GLY 65 N 3.40 -1.26 0.60 4.97 0.00 -1.26 -3.99 105.19 107.65 2g46 n GLY 65 Ca 0.45 -0.21 0.12 0.00 0.00 0.00 0.00 46.02 46.38 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 -2.33 2.53 1.07 4.61 0.00 -1.26 -3.87 120.51 121.26 2g46 n ALA 66 Ca -0.07 -0.54 0.12 0.00 0.00 0.00 0.00 53.44 52.95 2g46 n ALA 66 Cb 0.73 -1.08 0.28 0.00 0.00 0.00 0.00 19.45 19.37 2g46 n ALA 66 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 2g46 n ILE 67 N 0.42 0.00 -1.68 0.00 -6.64 -1.26 -4.87 119.36 105.33 2g46 n ILE 67 Ca 0.17 -0.04 -0.45 0.00 -1.77 0.00 0.00 62.75 60.67 2g46 n ILE 67 Cb 0.37 0.31 -0.03 0.00 -1.44 0.00 0.00 39.64 38.85 2g46 n ILE 67 CO 0.00 0.00 0.00 0.49 -1.77 0.00 0.00 176.55 175.27 2g46 n PHE 68 N -1.26 2.35 -2.95 4.28 3.72 -1.25 -3.59 117.46 118.75 2g46 n PHE 68 Ca 0.07 0.29 -0.21 0.00 -0.05 0.00 0.00 57.45 57.56 2g46 n PHE 68 Cb 0.34 -2.54 0.07 0.00 -0.94 0.00 0.00 39.48 36.42 2g46 n PHE 68 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 176.76 175.91 2g46 s ASN 69 N 0.71 4.91 -0.33 4.37 0.01 -1.26 -4.68 114.94 118.66 2g46 s ASN 69 Ca 0.74 -0.79 -0.27 0.00 -0.71 0.00 0.00 52.86 51.82 2g46 s ASN 69 Cb -0.63 0.32 0.01 0.00 0.41 0.00 0.00 41.25 41.36 2g46 s ASN 69 CO 0.42 -1.49 0.97 -2.28 -1.51 0.00 0.00 177.10 173.21 2g46 s HIS 70 N -2.78 3.14 0.00 2.20 2.46 -1.26 -3.31 115.29 115.74 2g46 s HIS 70 Ca 0.63 0.99 0.02 0.00 0.47 0.00 0.00 55.06 57.17 2g46 s HIS 70 Cb -0.05 -3.59 -0.01 0.00 -0.13 0.00 0.00 32.58 28.80 2g46 s HIS 70 CO 0.40 -0.75 -0.07 -1.12 -2.47 0.00 0.00 174.74 170.74 2g46 s SER 71 N 1.72 0.78 0.03 9.88 0.01 -1.25 -5.05 113.70 119.82 2g46 s SER 71 Ca 0.41 -0.18 -0.30 0.00 1.31 0.00 0.00 55.95 57.18 2g46 s SER 71 Cb -0.12 -0.07 -0.08 0.00 0.21 0.00 0.00 66.02 65.95 2g46 s SER 71 CO 0.16 0.04 1.88 -0.75 0.41 0.00 0.00 173.24 174.98 2g46 s LYS 72 N -0.37 4.15 -0.35 12.44 2.47 -1.26 -3.68 119.74 133.13 2g46 s LYS 72 Ca 0.01 2.53 -0.12 0.00 -1.56 0.00 0.00 55.97 56.83 2g46 s LYS 72 Cb -0.04 -4.04 0.02 0.00 -1.46 0.00 0.00 37.83 32.31 2g46 s LYS 72 CO -0.00 -0.91 0.35 -3.47 0.16 0.00 0.00 175.35 171.47 2g46 n ASP 73 N 7.16 -7.63 -4.59 1.43 -0.08 -1.26 -4.78 116.55 106.81 2g46 n ASP 73 Ca 0.19 0.77 -0.41 0.00 -1.51 0.00 0.00 54.79 53.83 2g46 n ASP 73 Cb 0.41 -4.68 -0.03 0.00 2.34 0.00 0.00 41.12 39.16 2g46 n ASP 73 CO 0.00 0.00 0.00 -2.16 0.12 0.00 0.00 177.20 175.16 2g46 s PRO 74 N -2.12 2.98 0.57 -0.67 0.04 -1.24 -4.82 135.00 129.74 2g46 s PRO 74 Ca 0.16 1.55 0.35 0.00 0.04 0.00 0.00 61.00 63.10 2g46 s PRO 74 Cb -0.04 -4.34 1.91 0.00 0.04 0.00 0.00 34.50 32.07 2g46 s PRO 74 CO 0.73 -2.27 2.07 -0.91 0.04 0.00 0.00 177.00 176.65 2g46 h ASN 75 N 14.97 0.00 -3.21 6.66 2.35 -1.86 -3.38 115.58 131.10 2g46 h ASN 75 Ca -0.34 0.00 -0.50 0.00 -0.55 0.00 0.00 56.30 54.91 2g46 h ASN 75 Cb 1.21 0.00 -0.37 0.00 0.05 0.00 0.00 38.32 39.20 2g46 h ASN 75 CO 1.05 0.00 -0.79 0.00 -1.65 0.00 0.00 177.43 176.04 2g46 s ALA 76 N -3.95 1.14 0.03 -0.83 0.00 -1.26 -0.89 121.76 116.00 2g46 s ALA 76 Ca -0.04 -0.44 0.00 0.00 0.00 0.00 0.00 51.96 51.48 2g46 s ALA 76 Cb 0.10 -0.88 0.00 0.00 0.00 0.00 0.00 23.12 22.34 2g46 s ALA 76 CO 0.32 -0.47 0.04 0.54 0.00 0.00 0.00 175.76 176.18 2g46 n ARG 77 N 5.00 1.11 -4.34 0.00 1.74 0.27 -4.27 116.66 116.17 2g46 n ARG 77 Ca -0.11 -0.17 -0.18 0.00 -0.77 0.00 0.00 57.85 56.63 2g46 n ARG 77 Cb 0.50 -0.00 -0.10 0.00 -1.02 0.00 0.00 32.46 31.83 2g46 n ARG 77 CO 0.00 0.00 0.00 -3.38 -1.52 0.00 0.00 177.63 172.73 2g46 s HIS 78 N 0.55 1.61 0.05 -1.55 -3.43 -1.26 -0.86 115.29 110.40 2g46 s HIS 78 Ca 0.03 -0.77 -0.01 0.00 -0.80 0.00 0.00 55.06 53.51 2g46 s HIS 78 Cb -0.00 -0.87 -0.04 0.00 -1.43 0.00 0.00 32.58 30.24 2g46 s HIS 78 CO 0.02 0.13 -0.03 -2.00 -2.00 0.00 0.00 174.74 170.86 2g46 s GLU 79 N -3.77 0.61 0.13 -0.38 2.12 0.04 -4.83 118.70 112.62 2g46 s GLU 79 Ca 0.25 -1.19 0.10 0.00 0.36 0.00 0.00 54.97 54.49 2g46 s GLU 79 Cb 0.03 0.17 -0.04 0.00 0.26 0.00 0.00 34.13 34.55 2g46 s GLU 79 CO 0.07 -0.10 -0.23 -0.51 -0.54 0.00 0.00 175.26 173.95 2g46 s LEU 80 N -2.83 2.49 -0.67 2.70 1.43 -1.26 -0.18 118.68 120.36 2g46 s LEU 80 Ca 0.06 -0.67 -0.18 0.00 -1.03 0.00 0.00 54.13 52.30 2g46 s LEU 80 Cb 0.07 -1.36 -0.15 0.00 0.03 0.00 0.00 46.19 44.78 2g46 s LEU 80 CO -0.09 0.18 1.88 0.35 0.23 0.00 0.00 176.35 178.89 2g46 n THR 81 N 0.83 1.65 -3.99 5.49 -2.24 -0.74 -4.25 114.28 111.04 2g46 n THR 81 Ca -0.17 -1.29 -0.32 0.00 -2.27 0.00 0.00 64.05 60.00 2g46 n THR 81 Cb 0.53 -2.20 0.01 0.00 -2.10 0.00 0.00 70.33 66.57 2g46 n THR 81 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2g46 n ALA 82 N 6.80 -1.26 0.00 6.98 0.00 -1.26 -4.64 120.51 127.12 2g46 n ALA 82 Ca 0.45 0.14 0.00 0.00 0.00 0.00 0.00 53.44 54.03 2g46 n ALA 82 Cb 0.32 -4.18 0.00 0.00 0.00 0.00 0.00 19.45 15.60 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 -1.59 -0.48 2.63 0.00 0.00 -1.26 -5.05 105.19 99.45 2g46 n GLY 83 Ca 0.05 -0.35 -0.29 0.00 0.00 0.00 0.00 46.02 45.44 2g46 n GLY 83 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2g46 s LEU 84 N 0.00 2.44 0.00 0.99 2.96 -1.26 -4.79 118.68 119.02 2g46 s LEU 84 Ca 0.00 -2.81 0.00 0.00 -0.22 0.00 0.00 54.13 51.10 2g46 s LEU 84 Cb 0.00 -0.89 0.00 0.00 0.50 0.00 0.00 46.19 45.80 2g46 s LEU 84 CO 0.00 -0.23 0.00 0.29 -1.32 0.00 0.00 176.35 175.09 2g46 n LYS 85 N 3.28 0.00 -4.33 1.98 5.02 -1.26 -4.76 118.16 118.09 2g46 n LYS 85 Ca 0.15 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 56.15 2g46 n LYS 85 Cb 0.38 -0.01 -0.17 0.00 -0.02 0.00 0.00 35.03 35.21 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 -1.94 2.28 0.23 1.97 0.52 -1.26 -1.78 118.95 118.97 2g46 s ARG 86 Ca 0.00 -0.57 -0.02 0.00 -0.52 0.00 0.00 55.73 54.62 2g46 s ARG 86 Cb 0.00 -1.98 -0.05 0.00 0.52 0.00 0.00 34.95 33.44 2g46 s ARG 86 CO 0.00 -0.12 0.45 -1.64 0.02 0.00 0.00 175.30 174.01 2g46 s MET 87 N 1.14 3.56 0.13 3.54 -1.94 -0.46 -1.79 119.30 123.48 2g46 s MET 87 Ca -0.03 -0.22 -0.00 0.00 -1.71 0.00 0.00 55.69 53.72 2g46 s MET 87 Cb -0.14 -2.77 -0.04 0.00 2.01 0.00 0.00 34.83 33.89 2g46 s MET 87 CO -0.05 0.33 0.03 1.03 -0.01 0.00 0.00 175.02 176.36 2g46 s ARG 88 N -3.42 0.92 -0.33 2.03 0.52 0.75 -1.79 118.95 117.62 2g46 s ARG 88 Ca 0.40 -1.43 0.00 0.00 -0.52 0.00 0.00 55.73 54.19 2g46 s ARG 88 Cb -0.11 0.11 0.11 0.00 0.52 0.00 0.00 34.95 35.58 2g46 s ARG 88 CO 0.29 -0.20 0.12 0.42 0.02 0.00 0.00 175.30 175.95 2g46 s ILE 89 N -3.93 1.13 0.36 1.52 1.01 -0.21 -0.78 121.20 120.30 2g46 s ILE 89 Ca 0.21 -1.70 -0.03 0.00 0.00 0.00 0.00 60.65 59.13 2g46 s ILE 89 Cb 0.07 -1.84 -0.04 0.00 0.01 0.00 0.00 42.46 40.66 2g46 s ILE 89 CO 0.00 -0.71 0.61 -0.36 0.00 0.00 0.00 174.94 174.49 2g46 s PHE 90 N 1.32 3.51 -0.99 3.97 0.08 -0.04 0.14 117.98 125.97 2g46 s PHE 90 Ca 0.11 0.58 -0.09 0.00 0.12 0.00 0.00 56.93 57.65 2g46 s PHE 90 Cb -0.19 -2.08 0.25 0.00 -0.57 0.00 0.00 43.02 40.44 2g46 s PHE 90 CO -0.19 0.04 0.95 0.95 -0.10 0.00 0.00 175.22 176.88 2g46 s THR 91 N -2.33 5.60 0.62 0.64 -4.23 -1.26 -0.57 115.64 114.11 2g46 s THR 91 Ca 0.43 -3.23 0.29 0.00 -1.18 0.00 0.00 61.69 58.00 2g46 s THR 91 Cb -0.10 -4.40 0.34 0.00 1.34 0.00 0.00 72.50 69.68 2g46 s THR 91 CO 0.36 -1.12 1.91 0.16 -0.54 0.00 0.00 174.62 175.38 2g46 h ILE 92 N 4.06 0.22 -3.65 2.99 3.07 -1.73 0.97 117.51 123.45 2g46 h ILE 92 Ca 0.15 0.00 -0.32 0.00 1.55 0.00 0.00 64.86 66.24 2g46 h ILE 92 Cb 0.91 0.64 -0.31 0.00 -0.27 0.00 0.00 36.82 37.79 2g46 h ILE 92 CO 0.91 0.00 -0.75 -0.54 -1.05 0.00 0.00 178.15 176.73 2g46 s LYS 93 N -4.41 0.31 0.27 0.16 -0.14 -0.07 -4.59 119.74 111.28 2g46 s LYS 93 Ca -0.04 -0.02 -0.27 0.00 -1.36 0.00 0.00 55.97 54.27 2g46 s LYS 93 Cb 0.13 -0.39 -0.15 0.00 -1.68 0.00 0.00 37.83 35.73 2g46 s LYS 93 CO 0.43 -0.04 0.80 -2.30 -0.76 0.00 0.00 175.35 173.49 2g46 n PRO 94 N 3.60 0.83 -5.01 -1.68 -0.02 -1.14 -4.69 135.00 126.89 2g46 n PRO 94 Ca -0.20 0.29 -0.31 0.00 -2.02 0.00 0.00 63.50 61.26 2g46 n PRO 94 Cb 0.54 -1.53 -0.14 0.00 -0.02 0.00 0.00 33.50 32.34 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 -1.08 2.44 0.56 4.25 1.01 -0.95 -4.96 121.20 122.46 2g46 s ILE 95 Ca 0.61 -1.09 -0.03 0.00 0.00 0.00 0.00 60.65 60.14 2g46 s ILE 95 Cb -0.76 -1.93 0.02 0.00 0.01 0.00 0.00 42.46 39.80 2g46 s ILE 95 CO 0.58 0.50 0.82 0.00 0.00 0.00 0.00 174.94 176.84 2g46 s ALA 96 N -0.74 3.53 0.03 9.38 0.00 -1.25 0.13 121.76 132.85 2g46 s ALA 96 Ca 0.12 -0.96 -0.30 0.00 0.00 0.00 0.00 51.96 50.81 2g46 s ALA 96 Cb -0.10 -2.36 -0.06 0.00 0.00 0.00 0.00 23.12 20.60 2g46 s ALA 96 CO 0.01 -0.74 1.34 0.42 0.00 0.00 0.00 175.76 176.79 2g46 s ILE 97 N -2.85 3.75 0.00 0.00 1.01 -1.16 -3.02 121.20 118.93 2g46 s ILE 97 Ca 0.54 1.19 0.00 0.00 0.00 0.00 0.00 60.65 62.38 2g46 s ILE 97 Cb -0.10 -3.76 0.00 0.00 0.01 0.00 0.00 42.46 38.60 2g46 s ILE 97 CO 0.42 0.04 0.00 0.61 0.00 0.00 0.00 174.94 176.00 2g46 n GLY 98 N 3.50 1.14 2.33 6.18 0.00 -0.72 -4.95 105.19 112.67 2g46 n GLY 98 Ca 0.12 -0.23 -0.12 0.00 0.00 0.00 0.00 46.02 45.79 2g46 n GLY 98 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2g46 n GLU 99 N -1.79 0.77 -4.33 1.61 0.00 -1.01 -4.90 120.64 110.99 2g46 n GLU 99 Ca 0.00 -1.87 -0.28 0.00 0.00 0.00 0.00 57.16 55.01 2g46 n GLU 99 Cb 0.04 -0.14 -0.17 0.00 0.00 0.00 0.00 31.44 31.18 2g46 n GLU 99 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.13 175.13 2g46 s GLU 100 N -3.56 2.07 -0.09 5.31 2.12 -1.26 -0.27 118.70 123.02 2g46 s GLU 100 Ca 0.36 -0.50 -0.20 0.00 0.36 0.00 0.00 54.97 54.99 2g46 s GLU 100 Cb -0.03 -1.82 -0.04 0.00 0.26 0.00 0.00 34.13 32.50 2g46 s GLU 100 CO 0.23 -0.10 0.56 0.42 -0.54 0.00 0.00 175.26 175.82 2g46 s ILE 101 N 1.12 5.11 0.00 -3.70 1.01 0.93 -4.82 121.20 120.84 2g46 s ILE 101 Ca -0.04 1.14 0.00 0.00 0.00 0.00 0.00 60.65 61.75 2g46 s ILE 101 Cb -0.14 -3.90 0.00 0.00 0.01 0.00 0.00 42.46 38.43 2g46 s ILE 101 CO -0.03 0.32 0.00 0.35 0.00 0.00 0.00 174.94 175.58 2g46 n THR 102 N 3.55 0.00 -3.29 2.92 -2.24 -1.26 -2.66 114.28 111.30 2g46 n THR 102 Ca -0.05 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 2g46 n THR 102 Cb 0.51 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.74 2g46 n THR 102 CO 0.00 0.00 0.00 2.30 -0.57 0.00 0.00 175.07 176.80 2g46 n ILE 103 N 0.00 0.00 -0.94 2.28 -6.64 -1.21 -4.15 119.36 108.70 2g46 n ILE 103 Ca 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 62.75 60.98 2g46 n ILE 103 Cb 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 39.64 38.20 2g46 n ILE 103 CO 0.00 0.00 0.00 -0.24 -1.77 0.00 0.00 176.55 174.54 2g46 n SER 104 N -1.54 0.00 0.00 7.28 2.88 -1.26 -3.96 113.62 117.02 2g46 n SER 104 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2g46 n SER 104 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 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 0.00 0.00 0.00 0.66 4.01 -1.26 -4.96 117.16 115.61 2g46 n TYR 105 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 2g46 n TYR 105 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 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 0.81 0.61 0.45 2.72 0.00 -1.26 -4.95 105.19 103.57 2g46 n GLY 106 Ca 0.00 0.27 0.06 0.00 0.00 0.00 0.00 46.02 46.36 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 0.00 1.89 0.00 1.61 8.00 -1.26 -4.30 116.55 122.49 2g46 n ASP 107 Ca 0.00 -1.44 0.00 0.00 0.71 0.00 0.00 54.79 54.06 2g46 n ASP 107 Cb 0.00 0.11 0.00 0.00 -0.02 0.00 0.00 41.12 41.21 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 0.50 0.58 -4.58 -2.24 -0.08 -1.26 -4.72 116.55 104.76 2g46 n ASP 108 Ca 0.07 0.00 -0.40 0.00 -1.51 0.00 0.00 54.79 52.94 2g46 n ASP 108 Cb 0.30 0.00 -0.03 0.00 2.34 0.00 0.00 41.12 43.73 2g46 n ASP 108 CO 0.00 0.00 0.00 -0.31 0.12 0.00 0.00 177.20 177.01 2g46 s TYR 109 N -1.18 1.53 0.00 -0.67 1.51 -1.26 -4.59 117.35 112.69 2g46 s TYR 109 Ca 0.00 0.85 0.00 0.00 -1.01 0.00 0.00 57.07 56.91 2g46 s TYR 109 Cb 0.00 -3.98 0.00 0.00 -0.11 0.00 0.00 41.96 37.87 2g46 s TYR 109 CO 0.00 -2.85 0.00 0.91 -1.11 0.00 0.00 175.55 172.50 2g46 n TRP 110 N 12.31 0.00 -0.70 2.71 7.02 -1.26 -4.20 117.44 133.31 2g46 n TRP 110 Ca 0.26 0.00 -0.29 0.00 -1.02 0.00 0.00 57.50 56.45 2g46 n TRP 110 Cb 0.50 0.00 0.13 0.00 -2.42 0.00 0.00 31.31 29.52 2g46 n TRP 110 CO 0.00 0.00 0.00 -0.11 -2.02 0.00 0.00 177.69 175.56 2g46 n LEU 111 N 0.00 -2.23 -3.45 -0.99 0.00 -1.26 -3.91 117.00 105.16 2g46 n LEU 111 Ca 0.00 -0.17 -0.18 0.00 0.00 0.00 0.00 56.01 55.66 2g46 n LEU 111 Cb 0.00 -0.80 0.07 0.00 0.00 0.00 0.00 43.42 42.69 2g46 n LEU 111 CO 0.00 -2.97 0.05 -0.24 0.00 0.00 0.00 177.39 174.23 2g46 n SER 112 N -0.43 -2.94 0.00 1.96 2.88 -1.26 -4.10 113.62 109.73 2g46 n SER 112 Ca 0.01 -0.69 0.00 0.00 -1.33 0.00 0.00 58.87 56.86 2g46 n SER 112 Cb 0.57 -4.89 0.00 0.00 -0.75 0.00 0.00 64.21 59.14 2g46 n SER 112 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2g46 n ARG 113 N -3.97 0.00 -0.01 -1.46 5.12 -1.25 -4.60 116.66 110.48 2g46 n ARG 113 Ca -0.24 0.00 0.05 0.00 -1.93 0.00 0.00 57.85 55.73 2g46 n ARG 113 Cb 0.66 0.00 0.25 0.00 -1.16 0.00 0.00 32.46 32.21 2g46 n ARG 113 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 2g46 n PRO 114 N 0.00 1.08 -1.32 5.56 -0.04 -1.26 -5.01 135.00 134.00 2g46 n PRO 114 Ca 0.00 -0.12 0.16 0.00 -0.04 0.00 0.00 63.50 63.50 2g46 n PRO 114 Cb 0.00 -1.15 -0.06 0.00 -0.04 0.00 0.00 33.50 32.25 2g46 n PRO 114 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2g46 n ARG 115 N -0.53 -2.73 -4.73 0.54 3.00 -1.26 -4.85 116.66 106.10 2g46 n ARG 115 Ca 0.07 2.09 -0.30 0.00 -0.01 0.00 0.00 57.85 59.70 2g46 n ARG 115 Cb 0.06 -3.33 -0.17 0.00 0.00 0.00 0.00 32.46 29.02 2g46 n ARG 115 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 2g46 s LEU 116 N -6.68 1.93 -0.30 0.55 2.01 -1.26 -4.97 118.68 109.95 2g46 s LEU 116 Ca 0.00 -0.50 0.05 0.00 0.01 0.00 0.00 54.13 53.69 2g46 s LEU 116 Cb 0.00 -1.25 0.19 0.00 0.01 0.00 0.00 46.19 45.13 2g46 s LEU 116 CO 0.00 0.07 0.53 -0.89 1.01 0.00 0.00 176.35 177.08 2g46 s THR 117 N 0.74 -0.87 -0.08 5.49 2.01 -1.26 -5.06 115.64 116.61 2g46 s THR 117 Ca -0.11 -0.11 -0.06 0.00 0.31 0.00 0.00 61.69 61.73 2g46 s THR 117 Cb -0.16 -0.93 0.02 0.00 0.01 0.00 0.00 72.50 71.44 2g46 s THR 117 CO 0.02 -0.10 0.11 1.67 -0.69 0.00 0.00 174.62 175.63 2g46 n GLN 118 N 5.32 -4.18 -0.33 4.92 0.00 -1.26 -5.22 117.38 116.62 2g46 n GLN 118 Ca 0.04 3.11 0.00 0.00 -0.00 0.00 0.00 57.00 60.15 2g46 n GLN 118 Cb 0.53 -4.18 0.00 0.00 0.00 0.00 0.00 30.24 26.58 2g46 n GLN 118 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15