#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2g46 s PHE 2 N 0.00 3.04 -0.01 1.12 -0.12 -1.26 -4.31 117.98 116.44 2g46 s PHE 2 Ca 0.00 1.56 -0.06 0.00 -0.05 0.00 0.00 56.93 58.38 2g46 s PHE 2 Cb 0.00 -3.35 0.00 0.00 -0.63 0.00 0.00 43.02 39.05 2g46 s PHE 2 CO 0.00 -1.27 0.13 -0.80 -0.05 0.00 0.00 175.22 173.23 2g46 s ASN 3 N -1.27 -0.01 0.63 1.98 0.01 0.86 -4.98 114.94 112.17 2g46 s ASN 3 Ca 0.59 -0.08 0.28 0.00 -0.71 0.00 0.00 52.86 52.94 2g46 s ASN 3 Cb -0.29 0.23 1.45 0.00 0.41 0.00 0.00 41.25 43.05 2g46 s ASN 3 CO 0.36 -0.27 1.84 -2.24 -1.51 0.00 0.00 177.10 175.28 2g46 h ASP 4 N 4.81 0.00 0.22 -1.22 2.03 -2.03 -0.39 116.42 119.85 2g46 h ASP 4 Ca -0.29 0.00 -0.35 0.00 -0.73 0.00 0.00 57.03 55.66 2g46 h ASP 4 Cb 1.20 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 39.67 2g46 h ASP 4 CO 0.41 0.00 -1.92 0.54 -1.03 0.00 0.00 179.24 177.24 2g46 n ARG 5 N -3.23 0.73 -1.94 4.15 1.74 -1.26 -4.79 116.66 112.07 2g46 n ARG 5 Ca 0.03 0.27 -0.03 0.00 -0.77 0.00 0.00 57.85 57.36 2g46 n ARG 5 Cb 0.57 -1.73 -0.00 0.00 -1.02 0.00 0.00 32.46 30.27 2g46 n ARG 5 CO 0.00 0.00 0.00 1.33 -1.52 0.00 0.00 177.63 177.44 2g46 n VAL 6 N -3.38 0.00 -3.59 1.55 0.24 -0.15 -3.19 118.33 109.80 2g46 n VAL 6 Ca -0.28 -0.33 -0.11 0.00 -2.04 0.00 0.00 64.34 61.58 2g46 n VAL 6 Cb 1.05 0.23 -0.03 0.00 -1.47 0.00 0.00 33.84 33.62 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 -2.60 0.03 -0.11 1.34 2.07 -0.62 -0.10 121.20 121.20 2g46 s ILE 7 Ca 0.05 -0.43 -0.12 0.00 -1.41 0.00 0.00 60.65 58.75 2g46 s ILE 7 Cb -0.00 -1.26 -0.05 0.00 0.13 0.00 0.00 42.46 41.28 2g46 s ILE 7 CO 0.04 -0.12 0.26 0.54 -1.91 0.00 0.00 174.94 173.75 2g46 s VAL 8 N -3.81 5.31 0.01 4.00 0.11 -1.26 -0.71 120.40 124.04 2g46 s VAL 8 Ca 0.04 0.48 0.00 0.00 -2.93 0.00 0.00 61.98 59.58 2g46 s VAL 8 Cb -0.00 -3.56 -0.01 0.00 -1.53 0.00 0.00 36.38 31.27 2g46 s VAL 8 CO -0.09 0.51 -0.01 -0.54 -3.33 0.00 0.00 175.10 171.64 2g46 s LYS 9 N -0.37 0.12 -0.97 1.54 1.02 -0.67 -4.83 119.74 115.59 2g46 s LYS 9 Ca 0.17 -0.18 -0.10 0.00 0.02 0.00 0.00 55.97 55.87 2g46 s LYS 9 Cb -0.13 -0.01 -0.01 0.00 -0.52 0.00 0.00 37.83 37.15 2g46 s LYS 9 CO 0.06 -0.00 0.75 1.63 -0.92 0.00 0.00 175.35 176.87 2g46 n LYS 10 N 2.67 -1.42 -4.61 1.68 4.76 0.11 0.36 118.16 121.71 2g46 n LYS 10 Ca -0.15 0.83 -0.28 0.00 -2.87 0.00 0.00 58.31 55.84 2g46 n LYS 10 Cb 0.59 -4.43 -0.11 0.00 -1.84 0.00 0.00 35.03 29.24 2g46 n LYS 10 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 2g46 s SER 11 N -3.25 3.77 0.57 4.39 1.04 -1.21 -5.01 113.70 114.00 2g46 s SER 11 Ca 0.27 -1.38 0.35 0.00 0.48 0.00 0.00 55.95 55.67 2g46 s SER 11 Cb -0.08 -0.35 1.67 0.00 0.10 0.00 0.00 66.02 67.36 2g46 s SER 11 CO 0.82 -0.47 2.11 1.55 0.98 0.00 0.00 173.24 178.23 2g46 h PRO 12 N 1.78 0.00 -0.05 4.02 0.13 -2.00 -3.28 132.00 132.61 2g46 h PRO 12 Ca -0.44 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.53 2g46 h PRO 12 Cb 1.24 0.00 -0.26 0.00 0.13 0.00 0.00 31.00 32.11 2g46 h PRO 12 CO 0.80 0.05 -0.67 1.28 -0.23 0.00 0.00 178.00 179.22 2g46 n LEU 13 N -3.25 0.02 -4.05 1.56 4.77 -1.26 -5.11 117.00 109.67 2g46 n LEU 13 Ca -0.01 -2.24 -0.10 0.00 -0.03 0.00 0.00 56.01 53.62 2g46 n LEU 13 Cb 0.23 0.06 -0.11 0.00 -2.33 0.00 0.00 43.42 41.27 2g46 n LEU 13 CO 0.26 1.08 -0.38 -0.83 -1.33 0.00 0.00 177.39 176.19 2g46 s GLY 14 N -1.72 0.43 0.00 -0.72 0.00 -1.24 -5.14 107.32 98.94 2g46 s GLY 14 Ca 0.17 -0.83 0.00 0.00 0.00 0.00 0.00 44.72 44.06 2g46 s GLY 14 CO -0.09 -0.90 0.00 0.61 0.00 0.00 0.00 173.10 172.72 2g46 n GLY 15 N 1.15 -1.38 2.83 0.20 0.00 -1.26 -3.34 105.19 103.38 2g46 n GLY 15 Ca -0.21 -0.18 -0.30 0.00 0.00 0.00 0.00 46.02 45.33 2g46 n GLY 15 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2g46 n TYR 16 N 0.00 3.71 -3.30 1.61 4.02 -1.24 0.09 117.16 122.04 2g46 n TYR 16 Ca 0.00 -3.67 -0.04 0.00 -0.01 0.00 0.00 57.90 54.18 2g46 n TYR 16 Cb 0.00 -0.67 0.01 0.00 -0.02 0.00 0.00 39.34 38.66 2g46 n TYR 16 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2g46 n GLY 17 N -0.07 2.50 3.86 2.72 0.00 0.16 -4.61 105.19 109.74 2g46 n GLY 17 Ca 0.34 -2.17 -0.27 0.00 0.00 0.00 0.00 46.02 43.93 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 -0.03 4.85 -0.15 1.61 1.01 -1.12 -1.67 120.40 124.91 2g46 s VAL 18 Ca 0.07 -0.87 -0.01 0.00 0.00 0.00 0.00 61.98 61.17 2g46 s VAL 18 Cb -0.01 -3.47 -0.01 0.00 0.00 0.00 0.00 36.38 32.89 2g46 s VAL 18 CO 0.05 -0.07 -0.12 -0.36 0.00 0.00 0.00 175.10 174.60 2g46 s PHE 19 N -1.71 2.84 -0.86 5.22 0.40 0.11 -0.03 117.98 123.94 2g46 s PHE 19 Ca 0.32 -0.74 -0.19 0.00 -0.60 0.00 0.00 56.93 55.73 2g46 s PHE 19 Cb -0.11 -1.89 0.13 0.00 0.51 0.00 0.00 43.02 41.66 2g46 s PHE 19 CO 0.25 -0.29 1.06 0.00 0.70 0.00 0.00 175.22 176.94 2g46 s ALA 20 N 0.58 3.37 0.63 5.36 0.00 0.85 -1.60 121.76 130.96 2g46 s ALA 20 Ca -0.07 -2.63 0.35 0.00 0.00 0.00 0.00 51.96 49.60 2g46 s ALA 20 Cb -0.15 -3.96 1.98 0.00 0.00 0.00 0.00 23.12 20.99 2g46 s ALA 20 CO 0.03 -2.87 2.22 -0.09 0.00 0.00 0.00 175.76 175.05 2g46 h ARG 21 N 8.90 0.00 -7.31 0.00 2.43 -1.83 -0.91 114.38 115.67 2g46 h ARG 21 Ca 0.06 0.00 -0.46 0.00 -0.81 0.00 0.00 59.98 58.77 2g46 h ARG 21 Cb 1.04 0.00 0.11 0.00 -0.42 0.00 0.00 29.97 30.69 2g46 h ARG 21 CO 1.10 0.00 0.19 0.15 -1.51 0.00 0.00 179.97 179.90 2g46 s LYS 22 N -4.39 1.36 0.00 0.20 3.01 -1.21 -3.95 119.74 114.76 2g46 s LYS 22 Ca -0.05 -0.96 0.00 0.00 -1.01 0.00 0.00 55.97 53.96 2g46 s LYS 22 Cb 0.14 -2.20 0.00 0.00 -1.01 0.00 0.00 37.83 34.75 2g46 s LYS 22 CO 0.46 -1.73 0.00 0.43 0.51 0.00 0.00 175.35 175.02 2g46 n SER 23 N -3.10 -0.21 -4.81 2.83 7.64 0.13 -1.33 113.62 114.78 2g46 n SER 23 Ca 0.15 0.00 -0.22 0.00 1.01 0.00 0.00 58.87 59.82 2g46 n SER 23 Cb 0.60 -0.04 -0.05 0.00 -1.01 0.00 0.00 64.21 63.72 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 2.86 0.00 1.43 0.08 -0.82 -4.94 117.98 114.59 2g46 s PHE 24 Ca 0.00 -0.30 0.00 0.00 0.12 0.00 0.00 56.93 56.75 2g46 s PHE 24 Cb 0.00 -1.69 0.00 0.00 -0.57 0.00 0.00 43.02 40.76 2g46 s PHE 24 CO 0.00 0.28 0.00 0.39 -0.10 0.00 0.00 175.22 175.79 2g46 n GLU 25 N -1.27 2.47 -2.76 0.44 1.02 -1.26 -1.57 120.64 117.72 2g46 n GLU 25 Ca -0.03 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.69 2g46 n GLU 25 Cb 0.60 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.99 2g46 n GLU 25 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 2g46 s LYS 26 N -0.35 3.30 0.00 3.49 2.20 -1.26 -3.43 119.74 123.69 2g46 s LYS 26 Ca 0.00 -0.94 0.00 0.00 -0.36 0.00 0.00 55.97 54.67 2g46 s LYS 26 Cb 0.00 -4.53 0.00 0.00 -1.51 0.00 0.00 37.83 31.79 2g46 s LYS 26 CO 0.00 -1.94 0.00 0.41 -0.36 0.00 0.00 175.35 173.46 2g46 n GLY 27 N 5.61 0.71 3.16 5.54 0.00 -1.09 -4.92 105.19 114.20 2g46 n GLY 27 Ca 0.09 -0.21 -0.33 0.00 0.00 0.00 0.00 46.02 45.57 2g46 n GLY 27 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2g46 s GLU 28 N 0.12 3.02 -0.70 1.61 0.41 -1.26 -4.82 118.70 117.09 2g46 s GLU 28 Ca 0.00 -0.84 -0.26 0.00 -0.41 0.00 0.00 54.97 53.47 2g46 s GLU 28 Cb 0.00 -2.51 -0.04 0.00 -1.78 0.00 0.00 34.13 29.80 2g46 s GLU 28 CO 0.00 -0.09 1.97 -1.17 -0.49 0.00 0.00 175.26 175.48 2g46 s LEU 29 N 1.01 3.24 0.17 1.80 1.98 -1.26 -1.94 118.68 123.67 2g46 s LEU 29 Ca -0.02 0.10 -0.10 0.00 -2.89 0.00 0.00 54.13 51.22 2g46 s LEU 29 Cb -0.15 -2.54 0.03 0.00 0.66 0.00 0.00 46.19 44.20 2g46 s LEU 29 CO -0.06 -2.62 1.57 0.58 -1.89 0.00 0.00 176.35 173.93 2g46 h VAL 30 N 7.12 1.27 -2.15 1.68 2.07 0.12 -3.48 116.25 122.89 2g46 h VAL 30 Ca -0.14 -1.33 0.17 0.00 0.82 0.00 0.00 66.70 66.21 2g46 h VAL 30 Cb 1.12 1.05 -0.13 0.00 -1.52 0.00 0.00 31.29 31.81 2g46 h VAL 30 CO 1.20 0.47 0.55 -0.70 0.02 0.00 0.00 177.57 179.11 2g46 s GLU 31 N -4.75 0.87 -0.18 1.57 2.12 -1.16 -4.97 118.70 112.20 2g46 s GLU 31 Ca -0.11 -0.40 -0.20 0.00 0.36 0.00 0.00 54.97 54.62 2g46 s GLU 31 Cb 0.13 0.34 0.05 0.00 0.26 0.00 0.00 34.13 34.91 2g46 s GLU 31 CO 0.87 -0.39 0.54 -1.83 -0.54 0.00 0.00 175.26 173.91 2g46 s GLU 32 N -3.05 0.67 0.21 4.30 -1.05 -1.26 0.94 118.70 119.47 2g46 s GLU 32 Ca 0.09 0.65 0.01 0.00 -0.15 0.00 0.00 54.97 55.57 2g46 s GLU 32 Cb -0.01 0.33 -0.00 0.00 -0.44 0.00 0.00 34.13 34.01 2g46 s GLU 32 CO -0.04 -0.10 0.25 0.00 0.95 0.00 0.00 175.26 176.32 2g46 s LEU 34 N 0.00 3.32 0.00 0.00 1.02 -1.26 -0.85 118.68 120.91 2g46 s LEU 34 Ca 0.21 -0.22 0.00 0.00 0.02 0.00 0.00 54.13 54.14 2g46 s LEU 34 Cb 0.00 -2.61 -0.00 0.00 0.02 0.00 0.00 46.19 43.60 2g46 s LEU 34 CO 0.15 -1.16 0.38 0.00 0.02 0.00 0.00 176.35 175.74 2g46 s ILE 36 N -2.85 1.87 -0.34 0.00 1.01 -1.08 -4.82 121.20 114.99 2g46 s ILE 36 Ca 0.27 -1.19 0.01 0.00 0.00 0.00 0.00 60.65 59.74 2g46 s ILE 36 Cb -0.00 -1.59 0.09 0.00 0.01 0.00 0.00 42.46 40.96 2g46 s ILE 36 CO 0.19 0.37 0.06 -0.69 0.00 0.00 0.00 174.94 174.87 2g46 s VAL 37 N -0.71 2.64 0.22 2.92 1.01 -1.26 -0.20 120.40 125.01 2g46 s VAL 37 Ca 0.09 -2.02 0.08 0.00 0.00 0.00 0.00 61.98 60.13 2g46 s VAL 37 Cb -0.09 -2.78 -0.05 0.00 0.00 0.00 0.00 36.38 33.46 2g46 s VAL 37 CO 0.01 -0.47 -0.14 -0.13 0.00 0.00 0.00 175.10 174.37 2g46 s ARG 38 N 1.05 1.38 0.89 2.72 1.81 -0.68 -4.98 118.95 121.14 2g46 s ARG 38 Ca 0.05 -1.63 -0.14 0.00 -1.72 0.00 0.00 55.73 52.29 2g46 s ARG 38 Cb -0.20 -1.18 0.14 0.00 -0.45 0.00 0.00 34.95 33.25 2g46 s ARG 38 CO -0.06 0.18 1.24 -1.01 -0.68 0.00 0.00 175.30 174.98 2g46 s HIS 39 N -2.93 2.27 0.00 -0.53 3.76 -1.26 -1.44 115.29 115.16 2g46 s HIS 39 Ca 0.24 0.55 0.00 0.00 -0.15 0.00 0.00 55.06 55.70 2g46 s HIS 39 Cb -0.01 -3.78 0.00 0.00 1.11 0.00 0.00 32.58 29.90 2g46 s HIS 39 CO 0.08 -2.24 0.00 0.09 -0.85 0.00 0.00 174.74 171.82 2g46 n ASN 40 N -3.57 0.00 0.00 1.40 3.02 -1.26 -4.23 115.26 110.63 2g46 n ASN 40 Ca 0.11 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.66 2g46 n ASN 40 Cb 0.60 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.77 2g46 n ASN 40 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 2g46 n ASP 41 N 0.00 -0.08 -0.38 6.41 2.03 -1.26 -3.13 116.55 120.15 2g46 n ASP 41 Ca 0.00 0.00 0.29 0.00 0.52 0.00 0.00 54.79 55.60 2g46 n ASP 41 Cb 0.00 0.00 0.57 0.00 -0.72 0.00 0.00 41.12 40.97 2g46 n ASP 41 CO 0.00 0.00 0.00 0.44 -1.92 0.00 0.00 177.20 175.72 2g46 h ASP 42 N 8.34 0.36 0.53 1.67 5.19 -1.99 -1.03 116.42 129.49 2g46 h ASP 42 Ca 0.00 0.12 -0.02 0.00 -0.62 0.00 0.00 57.03 56.52 2g46 h ASP 42 Cb 0.00 0.08 -0.02 0.00 0.18 0.00 0.00 39.33 39.57 2g46 h ASP 42 CO 0.00 -0.07 -0.50 -0.25 -3.12 0.00 0.00 179.24 175.30 2g46 h TRP 43 N 0.24 -1.39 -0.54 4.55 2.91 -1.76 0.13 115.95 120.09 2g46 h TRP 43 Ca 0.72 0.01 0.13 0.00 1.13 0.00 0.00 58.89 60.87 2g46 h TRP 43 Cb 2.01 0.54 -0.03 0.00 -0.51 0.00 0.00 29.16 31.17 2g46 h TRP 43 CO -0.00 -0.68 0.38 0.78 -1.03 0.00 0.00 178.44 177.88 2g46 h GLY 44 N -1.03 0.25 0.00 2.65 0.00 -1.30 -0.74 103.07 102.90 2g46 h GLY 44 Ca -0.07 -0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.19 2g46 h GLY 44 CO -0.05 0.03 0.00 2.41 0.00 0.00 0.00 176.54 178.94 2g46 n THR 45 N -4.43 0.00 -0.29 4.70 -1.04 -0.62 -1.07 114.28 111.52 2g46 n THR 45 Ca 0.09 0.77 0.11 0.00 -2.04 0.00 0.00 64.05 62.99 2g46 n THR 45 Cb 0.50 -1.72 0.27 0.00 -1.82 0.00 0.00 70.33 67.55 2g46 n THR 45 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2g46 h ALA 46 N -2.00 1.28 -0.39 2.41 0.00 -0.74 0.55 119.26 120.37 2g46 h ALA 46 Ca 0.00 0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2g46 h ALA 46 Cb 0.00 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2g46 h ALA 46 CO 0.00 -0.37 0.00 1.28 0.00 0.00 0.00 179.25 180.16 2g46 n LEU 47 N -5.11 3.42 -4.57 0.00 7.99 -0.29 -4.85 117.00 113.59 2g46 n LEU 47 Ca 0.20 -1.73 -0.13 0.00 -0.01 0.00 0.00 56.01 54.34 2g46 n LEU 47 Cb 0.62 -0.51 -0.09 0.00 -0.11 0.00 0.00 43.42 43.32 2g46 n LEU 47 CO 0.11 0.52 1.14 -1.84 -1.51 0.00 0.00 177.39 175.81 2g46 n GLU 48 N 0.53 0.33 0.00 3.23 -0.00 0.19 -3.50 120.64 121.42 2g46 n GLU 48 Ca 0.16 -1.27 0.00 0.00 -0.00 0.00 0.00 57.16 56.06 2g46 n GLU 48 Cb 0.68 -3.83 0.00 0.00 -0.00 0.00 0.00 31.44 28.30 2g46 n GLU 48 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 2g46 n ASP 49 N 19.44 -0.02 -3.22 -1.84 -0.08 -1.26 -5.01 116.55 124.56 2g46 n ASP 49 Ca 0.44 0.04 -0.31 0.00 -1.51 0.00 0.00 54.79 53.45 2g46 n ASP 49 Cb 0.45 0.07 -0.03 0.00 2.34 0.00 0.00 41.12 43.95 2g46 n ASP 49 CO 0.00 0.00 0.00 -1.22 0.12 0.00 0.00 177.20 176.10 2g46 n TYR 50 N -1.66 3.62 -3.88 -0.67 4.01 -1.23 -5.01 117.16 112.34 2g46 n TYR 50 Ca 0.00 -3.61 -0.35 0.00 -0.16 0.00 0.00 57.90 53.77 2g46 n TYR 50 Cb 0.00 -0.70 -0.14 0.00 -0.31 0.00 0.00 39.34 38.19 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 -3.52 3.21 -0.87 7.72 1.43 -1.26 -2.60 118.68 122.78 2g46 s LEU 51 Ca 0.45 -0.60 -0.20 0.00 -1.03 0.00 0.00 54.13 52.75 2g46 s LEU 51 Cb 0.23 -1.75 0.11 0.00 0.03 0.00 0.00 46.19 44.80 2g46 s LEU 51 CO -0.11 -0.09 1.11 -0.36 0.23 0.00 0.00 176.35 177.13 2g46 s PHE 52 N 1.44 2.95 0.07 0.29 0.40 0.59 -4.79 117.98 118.94 2g46 s PHE 52 Ca 0.03 -1.12 -0.09 0.00 -0.60 0.00 0.00 56.93 55.16 2g46 s PHE 52 Cb -0.16 -4.32 -0.06 0.00 0.51 0.00 0.00 43.02 38.99 2g46 s PHE 52 CO -0.02 -1.57 0.38 -1.54 0.70 0.00 0.00 175.22 173.17 2g46 s SER 53 N 3.78 6.61 0.16 1.36 1.04 -1.26 -1.83 113.70 123.56 2g46 s SER 53 Ca 0.31 0.75 0.01 0.00 0.48 0.00 0.00 55.95 57.50 2g46 s SER 53 Cb -0.08 -2.16 0.01 0.00 0.10 0.00 0.00 66.02 63.90 2g46 s SER 53 CO -0.04 0.18 0.12 -1.14 0.98 0.00 0.00 173.24 173.33 2g46 n ARG 54 N 0.88 1.25 -2.13 4.02 0.63 -0.62 -4.89 116.66 115.80 2g46 n ARG 54 Ca -0.08 -0.99 -0.42 0.00 -0.92 0.00 0.00 57.85 55.43 2g46 n ARG 54 Cb 0.52 0.11 0.00 0.00 0.45 0.00 0.00 32.46 33.54 2g46 n ARG 54 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 2g46 n LYS 55 N -0.88 3.14 0.00 -0.14 0.00 -1.26 -2.74 118.16 116.28 2g46 n LYS 55 Ca -0.01 -3.05 0.00 0.00 0.00 0.00 0.00 58.31 55.26 2g46 n LYS 55 Cb 0.18 -3.22 0.00 0.00 0.00 0.00 0.00 35.03 31.99 2g46 n LYS 55 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.40 177.67 2g46 n ASN 56 N 5.92 0.00 -0.81 3.14 2.04 -1.26 -5.15 115.26 119.13 2g46 n ASN 56 Ca 0.47 0.00 0.00 0.00 -0.44 0.00 0.00 54.58 54.61 2g46 n ASN 56 Cb 0.40 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.65 2g46 n ASN 56 CO 0.00 0.00 0.00 1.15 -0.44 0.00 0.00 177.26 177.97 2g46 n MET 57 N 0.00 0.00 -4.14 -3.83 0.00 -1.11 -4.94 117.12 103.09 2g46 n MET 57 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 57.70 57.45 2g46 n MET 57 Cb 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 33.22 33.05 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 -0.44 1.94 0.40 3.17 1.04 -0.52 -1.60 113.70 117.70 2g46 s SER 58 Ca 0.00 -0.28 0.08 0.00 0.48 0.00 0.00 55.95 56.22 2g46 s SER 58 Cb 0.00 -0.80 -0.03 0.00 0.10 0.00 0.00 66.02 65.29 2g46 s SER 58 CO 0.00 -0.07 0.29 0.00 0.98 0.00 0.00 173.24 174.44 2g46 s ALA 59 N 1.31 3.85 0.09 5.32 0.00 -0.76 -1.68 121.76 129.89 2g46 s ALA 59 Ca -0.03 -1.94 0.03 0.00 0.00 0.00 0.00 51.96 50.03 2g46 s ALA 59 Cb -0.14 -0.80 -0.04 0.00 0.00 0.00 0.00 23.12 22.14 2g46 s ALA 59 CO -0.04 -0.17 0.12 1.41 0.00 0.00 0.00 175.76 177.09 2g46 s MET 60 N -4.02 3.01 -1.08 0.00 1.75 0.72 -0.30 119.30 119.38 2g46 s MET 60 Ca 0.44 -0.67 -0.17 0.00 -1.25 0.00 0.00 55.69 54.04 2g46 s MET 60 Cb -0.01 -2.78 0.13 0.00 2.84 0.00 0.00 34.83 35.01 2g46 s MET 60 CO 0.26 0.56 1.34 0.00 -0.65 0.00 0.00 175.02 176.53 2g46 s ALA 61 N -1.49 3.49 0.01 4.11 0.00 -1.07 -2.64 121.76 124.17 2g46 s ALA 61 Ca 0.31 -2.92 -0.03 0.00 0.00 0.00 0.00 51.96 49.31 2g46 s ALA 61 Cb -0.12 -4.21 -0.02 0.00 0.00 0.00 0.00 23.12 18.78 2g46 s ALA 61 CO 0.24 -3.03 1.05 1.25 0.00 0.00 0.00 175.76 175.27 2g46 h LEU 62 N 10.72 -0.15 0.00 0.00 5.85 -1.87 -3.41 115.31 126.45 2g46 h LEU 62 Ca 0.25 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.98 2g46 h LEU 62 Cb 0.95 0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.04 2g46 h LEU 62 CO 1.24 -0.06 0.00 0.61 -0.34 0.00 0.00 178.44 179.89 2g46 n GLY 63 N -1.05 -1.30 2.21 3.75 0.00 -1.06 -4.76 105.19 102.98 2g46 n GLY 63 Ca -0.01 -1.25 -0.21 0.00 0.00 0.00 0.00 46.02 44.55 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 -0.07 0.85 0.11 1.61 3.01 -1.26 -4.35 117.46 117.37 2g46 n PHE 64 Ca 0.00 -1.85 0.05 0.00 1.01 0.00 0.00 57.45 56.66 2g46 n PHE 64 Cb 0.00 -1.62 0.01 0.00 -0.01 0.00 0.00 39.48 37.86 2g46 n PHE 64 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 2g46 h GLY 65 N 4.86 0.00 0.08 1.37 0.00 -1.86 -3.37 103.07 104.16 2g46 h GLY 65 Ca 0.34 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.59 2g46 h GLY 65 CO 0.64 0.00 -0.42 0.00 0.00 0.00 0.00 176.54 176.75 2g46 h ALA 66 N 1.63 0.06 -0.59 3.60 0.00 -1.82 -3.31 119.26 118.83 2g46 h ALA 66 Ca -0.05 -0.71 0.17 0.00 0.00 0.00 0.00 54.91 54.32 2g46 h ALA 66 Cb 1.33 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 19.30 2g46 h ALA 66 CO 0.04 0.23 0.84 -0.84 0.00 0.00 0.00 179.25 179.52 2g46 h ILE 67 N -0.91 0.12 -2.16 0.00 -0.00 -1.84 -3.38 117.51 109.33 2g46 h ILE 67 Ca -0.11 0.00 -0.58 0.00 -0.00 0.00 0.00 64.86 64.17 2g46 h ILE 67 Cb 1.16 0.29 -0.01 0.00 -0.00 0.00 0.00 36.82 38.26 2g46 h ILE 67 CO -0.03 0.00 1.44 -0.36 -0.00 0.00 0.00 178.15 179.20 2g46 s PHE 68 N -4.40 1.33 0.66 0.16 0.08 -1.25 -4.08 117.98 110.48 2g46 s PHE 68 Ca -0.03 0.59 -0.10 0.00 0.12 0.00 0.00 56.93 57.51 2g46 s PHE 68 Cb 0.12 -3.97 0.15 0.00 -0.57 0.00 0.00 43.02 38.75 2g46 s PHE 68 CO 0.41 -3.75 0.90 0.09 -0.10 0.00 0.00 175.22 172.77 2g46 n ASN 69 N 11.44 0.22 -4.53 1.36 3.02 -1.26 -4.44 115.26 121.06 2g46 n ASN 69 Ca 0.28 -1.42 -0.38 0.00 -0.03 0.00 0.00 54.58 53.04 2g46 n ASN 69 Cb 0.46 -0.67 -0.12 0.00 -0.61 0.00 0.00 39.78 38.84 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 -2.88 3.17 0.25 3.10 2.46 -1.26 -2.69 115.29 117.44 2g46 s HIS 70 Ca 0.52 -0.12 0.11 0.00 0.47 0.00 0.00 55.06 56.04 2g46 s HIS 70 Cb -0.02 -2.34 -0.05 0.00 -0.13 0.00 0.00 32.58 30.05 2g46 s HIS 70 CO 0.36 -0.25 -0.20 0.45 -2.47 0.00 0.00 174.74 172.63 2g46 s SER 71 N 1.70 3.36 0.50 9.88 0.15 -1.26 -5.02 113.70 123.01 2g46 s SER 71 Ca 0.07 -1.00 0.29 0.00 0.70 0.00 0.00 55.95 56.01 2g46 s SER 71 Cb -0.16 -0.26 1.00 0.00 -1.71 0.00 0.00 66.02 64.89 2g46 s SER 71 CO 0.08 0.01 1.85 0.50 1.20 0.00 0.00 173.24 176.89 2g46 h LYS 72 N 2.50 0.00 -1.90 5.44 1.63 -2.01 -3.34 116.57 118.89 2g46 h LYS 72 Ca -0.41 0.00 -0.50 0.00 -0.85 0.00 0.00 60.65 58.90 2g46 h LYS 72 Cb 1.24 0.00 -0.38 0.00 -0.60 0.00 0.00 32.23 32.49 2g46 h LYS 72 CO 0.58 0.02 -1.13 -3.47 -3.45 0.00 0.00 179.45 172.01 2g46 n ASP 73 N -3.12 0.42 -4.63 4.20 -0.08 -1.26 -5.08 116.55 107.00 2g46 n ASP 73 Ca 0.02 -2.92 -0.43 0.00 -1.51 0.00 0.00 54.79 49.95 2g46 n ASP 73 Cb 0.39 -0.50 -0.03 0.00 2.34 0.00 0.00 41.12 43.33 2g46 n ASP 73 CO 0.00 0.00 0.00 -2.84 0.12 0.00 0.00 177.20 174.48 2g46 s PRO 74 N -1.83 3.64 -0.18 -0.67 0.02 -1.26 -4.85 135.00 129.87 2g46 s PRO 74 Ca 0.37 2.11 0.05 0.00 0.02 0.00 0.00 61.00 63.55 2g46 s PRO 74 Cb 0.28 -4.21 0.42 0.00 0.02 0.00 0.00 34.50 31.01 2g46 s PRO 74 CO -0.09 -1.51 1.32 0.09 -0.33 0.00 0.00 177.00 176.48 2g46 n ASN 75 N 9.44 3.53 -3.62 2.53 3.02 -1.26 -4.85 115.26 124.05 2g46 n ASN 75 Ca 0.23 -2.67 -0.15 0.00 -0.03 0.00 0.00 54.58 51.97 2g46 n ASN 75 Cb 0.44 -0.64 -0.07 0.00 -0.61 0.00 0.00 39.78 38.90 2g46 n ASN 75 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2g46 s ALA 76 N -1.90 -1.66 0.00 5.41 0.00 -1.24 -3.10 121.76 119.27 2g46 s ALA 76 Ca 0.31 1.72 0.00 0.00 0.00 0.00 0.00 51.96 53.99 2g46 s ALA 76 Cb 0.24 -0.83 0.00 0.00 0.00 0.00 0.00 23.12 22.54 2g46 s ALA 76 CO 0.08 -0.33 0.00 -2.13 0.00 0.00 0.00 175.76 173.38 2g46 n ARG 77 N 2.28 1.00 -4.14 0.00 0.63 -0.85 -4.22 116.66 111.36 2g46 n ARG 77 Ca -0.15 0.00 -0.11 0.00 -0.92 0.00 0.00 57.85 56.67 2g46 n ARG 77 Cb 0.56 0.00 -0.09 0.00 0.45 0.00 0.00 32.46 33.38 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 -0.51 0.93 0.20 -0.14 -3.43 -1.26 -0.92 115.29 110.15 2g46 s HIS 78 Ca 0.00 -1.21 0.06 0.00 -0.80 0.00 0.00 55.06 53.11 2g46 s HIS 78 Cb 0.00 -0.39 -0.05 0.00 -1.43 0.00 0.00 32.58 30.71 2g46 s HIS 78 CO 0.00 -0.68 -0.10 -2.00 -2.00 0.00 0.00 174.74 169.96 2g46 s GLU 79 N -4.10 1.26 -0.06 -0.38 2.56 -0.03 -4.82 118.70 113.13 2g46 s GLU 79 Ca 0.32 -1.57 0.01 0.00 0.00 0.00 0.00 54.97 53.73 2g46 s GLU 79 Cb 0.06 -0.88 0.02 0.00 2.00 0.00 0.00 34.13 35.33 2g46 s GLU 79 CO 0.09 0.09 -0.05 -0.51 -0.56 0.00 0.00 175.26 174.32 2g46 s LEU 80 N -3.27 1.27 0.00 2.70 1.43 -1.26 -1.30 118.68 118.24 2g46 s LEU 80 Ca 0.22 -0.16 0.00 0.00 -1.03 0.00 0.00 54.13 53.16 2g46 s LEU 80 Cb 0.02 -0.53 0.00 0.00 0.03 0.00 0.00 46.19 45.71 2g46 s LEU 80 CO 0.05 -0.06 0.00 0.35 0.23 0.00 0.00 176.35 176.92 2g46 n THR 81 N 4.22 0.00 -1.55 5.49 -2.24 -1.06 -4.71 114.28 114.44 2g46 n THR 81 Ca -0.21 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.41 2g46 n THR 81 Cb 0.51 -0.97 -0.10 0.00 -2.10 0.00 0.00 70.33 67.67 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 -3.00 0.48 0.00 6.98 0.00 -1.26 -4.55 120.51 119.16 2g46 n ALA 82 Ca 0.00 -1.28 0.00 0.00 0.00 0.00 0.00 53.44 52.16 2g46 n ALA 82 Cb 0.00 -3.13 0.00 0.00 0.00 0.00 0.00 19.45 16.32 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 6.57 -2.49 2.51 0.00 0.00 -1.26 -4.64 105.19 105.87 2g46 n GLY 83 Ca 0.50 -2.16 -0.29 0.00 0.00 0.00 0.00 46.02 44.07 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 0.00 6.73 0.00 0.99 4.77 -1.26 -4.63 117.00 123.59 2g46 n LEU 84 Ca 0.00 -4.22 0.00 0.00 -0.03 0.00 0.00 56.01 51.76 2g46 n LEU 84 Cb 0.00 -1.24 0.00 0.00 -2.33 0.00 0.00 43.42 39.85 2g46 n LEU 84 CO 0.00 1.78 0.00 0.29 -1.33 0.00 0.00 177.39 178.13 2g46 n LYS 85 N 0.91 0.00 -2.70 3.23 5.02 -1.26 -4.19 118.16 119.17 2g46 n LYS 85 Ca 0.51 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 56.38 2g46 n LYS 85 Cb 0.50 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.47 2g46 n LYS 85 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 2g46 s ARG 86 N 0.00 4.58 -0.09 1.97 3.52 -1.26 -1.48 118.95 126.18 2g46 s ARG 86 Ca 0.00 1.44 0.02 0.00 -0.13 0.00 0.00 55.73 57.07 2g46 s ARG 86 Cb 0.00 -3.44 -0.02 0.00 -1.56 0.00 0.00 34.95 29.94 2g46 s ARG 86 CO 0.00 -0.01 -0.17 -1.64 -0.81 0.00 0.00 175.30 172.67 2g46 s MET 87 N 0.83 2.96 0.32 5.12 -1.94 -0.02 -2.56 119.30 124.01 2g46 s MET 87 Ca 0.51 -0.75 0.10 0.00 -1.71 0.00 0.00 55.69 53.84 2g46 s MET 87 Cb -0.22 -2.44 -0.06 0.00 2.01 0.00 0.00 34.83 34.12 2g46 s MET 87 CO 0.28 0.35 -0.12 1.03 -0.01 0.00 0.00 175.02 176.55 2g46 s ARG 88 N -0.03 1.77 -0.33 2.03 0.52 -0.42 -0.82 118.95 121.66 2g46 s ARG 88 Ca -0.05 -1.88 0.00 0.00 -0.52 0.00 0.00 55.73 53.28 2g46 s ARG 88 Cb -0.14 -1.70 0.10 0.00 0.52 0.00 0.00 34.95 33.73 2g46 s ARG 88 CO 0.04 0.19 0.11 0.42 0.02 0.00 0.00 175.30 176.08 2g46 s ILE 89 N -2.60 1.16 0.53 1.52 1.01 0.27 -0.85 121.20 122.23 2g46 s ILE 89 Ca 0.32 -1.69 -0.01 0.00 0.00 0.00 0.00 60.65 59.26 2g46 s ILE 89 Cb 0.00 -1.87 0.11 0.00 0.01 0.00 0.00 42.46 40.72 2g46 s ILE 89 CO 0.16 -0.69 0.72 0.49 0.00 0.00 0.00 174.94 175.62 2g46 n PHE 90 N 4.59 -3.14 -3.87 3.97 3.72 -0.10 0.16 117.46 122.78 2g46 n PHE 90 Ca 0.00 -1.21 -0.29 0.00 -0.05 0.00 0.00 57.45 55.90 2g46 n PHE 90 Cb 0.41 -0.53 -0.12 0.00 -0.94 0.00 0.00 39.48 38.30 2g46 n PHE 90 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 2g46 s THR 91 N -2.19 3.05 -0.41 4.37 2.01 -0.82 -2.01 115.64 119.64 2g46 s THR 91 Ca 0.47 -4.07 -0.27 0.00 0.31 0.00 0.00 61.69 58.14 2g46 s THR 91 Cb -0.03 -3.00 -0.06 0.00 0.01 0.00 0.00 72.50 69.42 2g46 s THR 91 CO 0.32 -0.98 2.36 0.27 -0.69 0.00 0.00 174.62 175.89 2g46 s ILE 92 N -1.25 3.01 0.00 1.82 -4.36 -1.18 -2.67 121.20 116.57 2g46 s ILE 92 Ca 0.24 0.00 0.00 0.00 -0.26 0.00 0.00 60.65 60.63 2g46 s ILE 92 Cb -0.08 -3.01 0.00 0.00 1.25 0.00 0.00 42.46 40.62 2g46 s ILE 92 CO -0.13 -0.01 0.00 0.29 0.24 0.00 0.00 174.94 175.33 2g46 n LYS 93 N 8.94 0.00 -1.36 0.37 4.76 -1.26 -3.63 118.16 125.98 2g46 n LYS 93 Ca 0.35 0.32 -0.40 0.00 -2.87 0.00 0.00 58.31 55.71 2g46 n LYS 93 Cb 0.52 0.00 0.01 0.00 -1.84 0.00 0.00 35.03 33.72 2g46 n LYS 93 CO 0.00 0.00 0.00 -2.30 -1.37 0.00 0.00 177.40 173.73 2g46 n PRO 94 N 0.59 0.27 -4.40 1.97 -0.02 -1.22 -4.73 135.00 127.45 2g46 n PRO 94 Ca 0.00 0.10 -0.28 0.00 -2.02 0.00 0.00 63.50 61.30 2g46 n PRO 94 Cb 0.00 -1.30 -0.12 0.00 -0.02 0.00 0.00 33.50 32.06 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 -1.73 2.32 0.24 4.25 1.01 -0.61 -4.92 121.20 121.76 2g46 s ILE 95 Ca 0.62 -1.88 0.05 0.00 0.00 0.00 0.00 60.65 59.44 2g46 s ILE 95 Cb -0.54 -2.07 -0.03 0.00 0.01 0.00 0.00 42.46 39.83 2g46 s ILE 95 CO 0.60 -0.01 0.35 0.00 0.00 0.00 0.00 174.94 175.89 2g46 s ALA 96 N -1.35 3.91 -0.08 9.38 0.00 -1.24 0.20 121.76 132.59 2g46 s ALA 96 Ca 0.17 -1.25 -0.29 0.00 0.00 0.00 0.00 51.96 50.58 2g46 s ALA 96 Cb -0.09 -1.69 -0.06 0.00 0.00 0.00 0.00 23.12 21.28 2g46 s ALA 96 CO 0.08 0.23 1.88 0.42 0.00 0.00 0.00 175.76 178.37 2g46 s ILE 97 N -2.00 3.27 0.00 0.00 1.01 -0.44 -2.70 121.20 120.34 2g46 s ILE 97 Ca 0.34 0.32 0.00 0.00 0.00 0.00 0.00 60.65 61.31 2g46 s ILE 97 Cb -0.09 -3.24 0.00 0.00 0.01 0.00 0.00 42.46 39.14 2g46 s ILE 97 CO 0.29 -0.07 0.00 0.61 0.00 0.00 0.00 174.94 175.77 2g46 n GLY 98 N 4.69 1.86 3.98 6.18 0.00 -0.36 -4.94 105.19 116.60 2g46 n GLY 98 Ca 0.21 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.46 2.29 -0.17 1.61 0.41 -1.10 -4.90 118.70 116.39 2g46 s GLU 99 Ca 0.00 -1.79 -0.00 0.00 -0.41 0.00 0.00 54.97 52.77 2g46 s GLU 99 Cb 0.00 -2.42 0.00 0.00 -1.78 0.00 0.00 34.13 29.93 2g46 s GLU 99 CO 0.00 -0.75 -0.14 -2.00 -0.49 0.00 0.00 175.26 171.87 2g46 s GLU 100 N -4.50 3.21 -0.14 1.61 2.12 -1.26 -0.10 118.70 119.63 2g46 s GLU 100 Ca 0.50 -0.74 -0.20 0.00 0.36 0.00 0.00 54.97 54.89 2g46 s GLU 100 Cb -0.04 -2.68 -0.03 0.00 0.26 0.00 0.00 34.13 31.64 2g46 s GLU 100 CO 0.32 -0.05 0.59 0.42 -0.54 0.00 0.00 175.26 175.99 2g46 s ILE 101 N 1.00 5.09 0.34 -3.70 1.01 0.95 -4.58 121.20 121.31 2g46 s ILE 101 Ca -0.02 1.16 -0.12 0.00 0.00 0.00 0.00 60.65 61.67 2g46 s ILE 101 Cb -0.15 -3.92 0.03 0.00 0.01 0.00 0.00 42.46 38.43 2g46 s ILE 101 CO -0.03 0.22 0.65 0.42 0.00 0.00 0.00 174.94 176.20 2g46 s THR 102 N 1.18 0.00 0.05 2.92 -4.23 -1.26 -2.81 115.64 111.49 2g46 s THR 102 Ca 0.30 -1.23 -0.01 0.00 -1.18 0.00 0.00 61.69 59.57 2g46 s THR 102 Cb -0.16 -2.61 -0.03 0.00 1.34 0.00 0.00 72.50 71.04 2g46 s THR 102 CO 0.12 0.00 -0.02 0.27 -0.54 0.00 0.00 174.62 174.46 2g46 s ILE 103 N -2.96 0.20 0.00 2.99 -5.25 -1.09 -4.16 121.20 110.93 2g46 s ILE 103 Ca 0.20 -1.61 0.00 0.00 -0.99 0.00 0.00 60.65 58.26 2g46 s ILE 103 Cb -0.03 -1.28 0.00 0.00 2.95 0.00 0.00 42.46 44.10 2g46 s ILE 103 CO 0.13 -0.89 0.00 -0.24 -1.79 0.00 0.00 174.94 172.15 2g46 n SER 104 N 0.38 0.00 0.00 4.36 2.88 -1.26 -4.26 113.62 115.72 2g46 n SER 104 Ca -0.16 -0.45 0.00 0.00 -1.33 0.00 0.00 58.87 56.93 2g46 n SER 104 Cb 0.60 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.06 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 -0.83 0.00 -0.51 0.66 4.01 -1.26 -5.01 117.16 114.21 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 3.45 0.16 0.30 2.72 0.00 -1.26 -4.92 105.19 105.64 2g46 n GLY 106 Ca 0.00 -1.27 -0.07 0.00 0.00 0.00 0.00 46.02 44.68 2g46 n GLY 106 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2g46 h ASP 107 N 0.00 -0.90 -1.42 1.61 5.19 -2.04 -3.41 116.42 115.45 2g46 h ASP 107 Ca 0.00 0.17 0.00 0.00 -0.62 0.00 0.00 57.03 56.58 2g46 h ASP 107 Cb 0.00 0.44 0.00 0.00 0.18 0.00 0.00 39.33 39.95 2g46 h ASP 107 CO 0.00 -0.29 0.00 0.47 -3.12 0.00 0.00 179.24 176.30 2g46 n ASP 108 N -5.40 -0.24 -3.02 6.45 8.00 -1.26 -4.74 116.55 116.33 2g46 n ASP 108 Ca 0.02 -0.65 -0.00 0.00 0.71 0.00 0.00 54.79 54.86 2g46 n ASP 108 Cb 0.32 0.00 -0.00 0.00 -0.02 0.00 0.00 41.12 41.42 2g46 n ASP 108 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 2g46 n TYR 109 N -1.69 -1.26 -2.90 1.24 4.02 -1.26 -4.90 117.16 110.40 2g46 n TYR 109 Ca 0.00 0.60 -0.32 0.00 -0.01 0.00 0.00 57.90 58.17 2g46 n TYR 109 Cb 0.00 -1.92 -0.05 0.00 -0.02 0.00 0.00 39.34 37.34 2g46 n TYR 109 CO 0.00 0.00 0.00 1.67 -1.01 0.00 0.00 176.86 177.52 2g46 s TRP 110 N -0.99 3.38 0.00 -0.72 1.48 -1.26 -4.40 118.94 116.43 2g46 s TRP 110 Ca -0.02 1.32 0.00 0.00 -1.06 0.00 0.00 56.10 56.34 2g46 s TRP 110 Cb 0.00 -2.64 0.00 0.00 -1.16 0.00 0.00 33.47 29.68 2g46 s TRP 110 CO 0.24 -0.06 0.00 -0.11 -4.06 0.00 0.00 176.95 172.96 2g46 n LEU 111 N -0.78 1.37 0.00 -4.66 7.94 -1.26 -5.10 117.00 114.51 2g46 n LEU 111 Ca 0.05 0.04 0.00 0.00 -1.11 0.00 0.00 56.01 54.98 2g46 n LEU 111 Cb 0.54 -0.07 0.00 0.00 0.53 0.00 0.00 43.42 44.42 2g46 n LEU 111 CO 0.42 -0.07 0.00 -0.24 -1.11 0.00 0.00 177.39 176.39 2g46 n SER 112 N -1.14 0.00 -4.64 1.96 2.88 -1.26 -5.11 113.62 106.31 2g46 n SER 112 Ca 0.00 0.00 -0.39 0.00 -1.33 0.00 0.00 58.87 57.15 2g46 n SER 112 Cb 0.00 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.38 2g46 n SER 112 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 2g46 s ARG 113 N 0.00 4.10 -0.62 -1.46 0.52 -1.26 -4.96 118.95 115.28 2g46 s ARG 113 Ca 0.00 0.16 -0.13 0.00 -0.52 0.00 0.00 55.73 55.24 2g46 s ARG 113 Cb 0.00 -3.60 -0.12 0.00 0.52 0.00 0.00 34.95 31.76 2g46 s ARG 113 CO 0.00 -0.17 1.81 -0.35 0.02 0.00 0.00 175.30 176.61 2g46 n PRO 114 N 4.95 1.32 -1.82 3.54 -0.04 -1.26 -4.48 135.00 137.21 2g46 n PRO 114 Ca -0.08 -1.38 -0.25 0.00 -0.04 0.00 0.00 63.50 61.75 2g46 n PRO 114 Cb 0.51 -2.54 0.04 0.00 -0.04 0.00 0.00 33.50 31.47 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 5.71 3.35 -2.16 0.54 5.12 -1.26 -4.74 116.66 123.22 2g46 n ARG 115 Ca 0.39 -3.95 -0.28 0.00 -1.93 0.00 0.00 57.85 52.08 2g46 n ARG 115 Cb 0.23 -2.26 0.02 0.00 -1.16 0.00 0.00 32.46 29.29 2g46 n ARG 115 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 2g46 n LEU 116 N -0.77 5.42 -3.63 0.55 4.32 -1.26 -5.00 117.00 116.62 2g46 n LEU 116 Ca 0.47 -4.94 -0.16 0.00 -0.02 0.00 0.00 56.01 51.37 2g46 n LEU 116 Cb 0.90 -0.55 -0.07 0.00 -1.62 0.00 0.00 43.42 42.08 2g46 n LEU 116 CO 0.47 2.07 0.25 -0.89 -1.22 0.00 0.00 177.39 178.07 2g46 s THR 117 N -5.12 0.02 -0.28 -5.08 2.01 -1.26 -5.04 115.64 100.89 2g46 s THR 117 Ca 0.51 -0.21 0.10 0.00 0.31 0.00 0.00 61.69 62.40 2g46 s THR 117 Cb 0.42 -0.83 0.51 0.00 0.01 0.00 0.00 72.50 72.62 2g46 s THR 117 CO -0.13 -0.11 1.48 1.67 -0.69 0.00 0.00 174.62 176.83 2g46 n GLN 118 N 1.11 1.98 0.00 4.92 0.00 -1.26 -5.23 117.38 118.90 2g46 n GLN 118 Ca -0.20 -3.13 0.01 0.00 -0.00 0.00 0.00 57.00 53.68 2g46 n GLN 118 Cb 0.57 -1.83 0.01 0.00 0.00 0.00 0.00 30.24 28.98 2g46 n GLN 118 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15