#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 1.98 -3.79 2.03 1.16 -1.26 -4.08 117.46 113.51 2g46 n PHE 2 Ca 0.00 0.45 -0.10 0.00 -1.87 0.00 0.00 57.45 55.94 2g46 n PHE 2 Cb 0.00 -2.44 -0.06 0.00 -1.61 0.00 0.00 39.48 35.37 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 0.44 -0.05 -0.70 5.98 2.47 0.50 -4.95 114.94 118.62 2g46 s ASN 3 Ca 0.74 -0.56 -0.08 0.00 0.42 0.00 0.00 52.86 53.38 2g46 s ASN 3 Cb -0.72 0.42 -0.07 0.00 -1.45 0.00 0.00 41.25 39.43 2g46 s ASN 3 CO 0.46 -0.83 1.87 0.47 -3.72 0.00 0.00 177.10 175.36 2g46 n ASP 4 N -0.17 3.55 0.00 -4.21 9.92 -1.26 -2.23 116.55 122.15 2g46 n ASP 4 Ca -0.14 -2.33 0.00 0.00 -0.53 0.00 0.00 54.79 51.79 2g46 n ASP 4 Cb 0.63 -0.98 0.00 0.00 -0.64 0.00 0.00 41.12 40.13 2g46 n ASP 4 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 2g46 n ARG 5 N 4.93 0.00 -1.89 -1.24 1.74 -1.26 -5.09 116.66 113.85 2g46 n ARG 5 Ca 0.38 0.00 -0.03 0.00 -0.77 0.00 0.00 57.85 57.43 2g46 n ARG 5 Cb 0.16 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.61 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 0.00 0.00 -3.61 1.55 0.24 -0.95 -3.50 118.33 112.07 2g46 n VAL 6 Ca 0.00 -0.33 -0.10 0.00 -2.04 0.00 0.00 64.34 61.87 2g46 n VAL 6 Cb 0.00 0.28 -0.02 0.00 -1.47 0.00 0.00 33.84 32.63 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 -2.69 0.00 -0.24 1.34 2.07 -0.98 -0.37 121.20 120.32 2g46 s ILE 7 Ca 0.05 -0.41 -0.21 0.00 -1.41 0.00 0.00 60.65 58.67 2g46 s ILE 7 Cb -0.01 -1.43 -0.02 0.00 0.13 0.00 0.00 42.46 41.13 2g46 s ILE 7 CO 0.04 0.00 0.65 0.54 -1.91 0.00 0.00 174.94 174.26 2g46 s VAL 8 N -3.76 4.98 -0.13 4.00 0.11 -1.26 -1.73 120.40 122.60 2g46 s VAL 8 Ca 0.06 1.18 -0.06 0.00 -2.93 0.00 0.00 61.98 60.22 2g46 s VAL 8 Cb -0.03 -3.95 0.06 0.00 -1.53 0.00 0.00 36.38 30.92 2g46 s VAL 8 CO -0.04 0.03 0.31 -0.54 -3.33 0.00 0.00 175.10 171.52 2g46 s LYS 9 N 2.45 0.26 -1.46 1.54 1.02 -0.98 -4.76 119.74 117.80 2g46 s LYS 9 Ca 0.27 0.67 -0.10 0.00 0.02 0.00 0.00 55.97 56.83 2g46 s LYS 9 Cb -0.16 -0.05 0.06 0.00 -0.52 0.00 0.00 37.83 37.16 2g46 s LYS 9 CO 0.09 -0.19 0.96 1.17 -0.92 0.00 0.00 175.35 176.46 2g46 n LYS 10 N 4.50 -5.78 -0.85 1.68 0.00 0.44 0.42 118.16 118.57 2g46 n LYS 10 Ca -0.21 0.64 -0.02 0.00 0.00 0.00 0.00 58.31 58.72 2g46 n LYS 10 Cb 0.53 -5.49 0.01 0.00 0.00 0.00 0.00 35.03 30.08 2g46 n LYS 10 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 2g46 n SER 11 N -2.91 0.15 -4.48 3.14 3.41 -1.26 -4.90 113.62 106.78 2g46 n SER 11 Ca -0.03 -1.13 -0.48 0.00 -0.26 0.00 0.00 58.87 56.98 2g46 n SER 11 Cb 0.56 -0.07 -0.07 0.00 -0.26 0.00 0.00 64.21 64.37 2g46 n SER 11 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 2g46 n PRO 12 N -1.20 1.10 -3.67 4.33 -0.02 -1.26 -1.98 135.00 132.30 2g46 n PRO 12 Ca 0.02 0.27 -0.24 0.00 -2.02 0.00 0.00 63.50 61.52 2g46 n PRO 12 Cb 0.06 -2.59 0.03 0.00 -0.02 0.00 0.00 33.50 30.99 2g46 n PRO 12 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2g46 n LEU 13 N 10.77 -3.24 -4.18 2.45 7.99 -1.26 -4.99 117.00 124.54 2g46 n LEU 13 Ca 0.41 -0.90 -0.11 0.00 -0.01 0.00 0.00 56.01 55.41 2g46 n LEU 13 Cb 0.28 -2.59 -0.10 0.00 -0.11 0.00 0.00 43.42 40.89 2g46 n LEU 13 CO 0.75 0.39 -0.30 -0.83 -1.51 0.00 0.00 177.39 175.90 2g46 s GLY 14 N -3.94 1.11 0.00 -0.72 0.00 -0.84 -5.13 107.32 97.80 2g46 s GLY 14 Ca 0.22 -1.54 0.00 0.00 0.00 0.00 0.00 44.72 43.40 2g46 s GLY 14 CO 0.83 -1.42 0.00 0.61 0.00 0.00 0.00 173.10 173.12 2g46 n GLY 15 N -0.16 -1.37 3.37 0.20 0.00 -1.26 -4.35 105.19 101.62 2g46 n GLY 15 Ca -0.05 -1.57 -0.45 0.00 0.00 0.00 0.00 46.02 43.96 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 -0.39 3.03 0.00 1.61 2.02 -1.26 0.17 117.35 122.52 2g46 s TYR 16 Ca 0.00 -1.01 0.00 0.00 -0.37 0.00 0.00 57.07 55.69 2g46 s TYR 16 Cb 0.00 -4.01 0.00 0.00 -0.40 0.00 0.00 41.96 37.55 2g46 s TYR 16 CO 0.00 -1.28 0.00 0.41 -1.57 0.00 0.00 175.55 173.11 2g46 n GLY 17 N 5.26 6.05 3.49 0.71 0.00 0.17 -4.41 105.19 116.47 2g46 n GLY 17 Ca -0.09 -1.65 -0.33 0.00 0.00 0.00 0.00 46.02 43.95 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 -0.34 3.24 -0.08 1.61 1.01 -1.10 -2.32 120.40 122.41 2g46 s VAL 18 Ca 0.00 -0.65 -0.03 0.00 0.00 0.00 0.00 61.98 61.30 2g46 s VAL 18 Cb 0.00 -2.30 -0.04 0.00 0.00 0.00 0.00 36.38 34.04 2g46 s VAL 18 CO 0.00 0.58 0.06 0.12 0.00 0.00 0.00 175.10 175.86 2g46 s PHE 19 N -0.57 3.32 -0.74 5.22 5.36 -0.71 0.15 117.98 130.01 2g46 s PHE 19 Ca 0.08 0.30 -0.10 0.00 -0.96 0.00 0.00 56.93 56.25 2g46 s PHE 19 Cb -0.12 -1.83 0.19 0.00 -0.34 0.00 0.00 43.02 40.93 2g46 s PHE 19 CO 0.01 0.57 0.64 0.00 -1.46 0.00 0.00 175.22 174.98 2g46 s ALA 20 N -0.99 3.88 0.57 11.12 0.00 0.68 -2.33 121.76 134.70 2g46 s ALA 20 Ca 0.16 -3.24 0.27 0.00 0.00 0.00 0.00 51.96 49.14 2g46 s ALA 20 Cb -0.12 -3.21 1.70 0.00 0.00 0.00 0.00 23.12 21.49 2g46 s ALA 20 CO 0.05 -2.20 2.23 -0.09 0.00 0.00 0.00 175.76 175.75 2g46 h ARG 21 N 7.62 0.00 0.00 0.00 2.43 -1.83 -0.04 114.38 122.56 2g46 h ARG 21 Ca 0.04 0.00 -0.36 0.00 -0.81 0.00 0.00 59.98 58.85 2g46 h ARG 21 Cb 1.02 0.00 0.05 0.00 -0.42 0.00 0.00 29.97 30.62 2g46 h ARG 21 CO 0.76 0.01 0.05 1.63 -1.51 0.00 0.00 179.97 180.91 2g46 n LYS 22 N -3.98 0.22 0.00 0.20 5.02 -1.23 -3.75 118.16 114.64 2g46 n LYS 22 Ca -0.03 -2.15 0.00 0.00 -2.02 0.00 0.00 58.31 54.11 2g46 n LYS 22 Cb 0.09 -0.43 0.00 0.00 -0.02 0.00 0.00 35.03 34.67 2g46 n LYS 22 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2g46 n SER 23 N -2.82 0.00 -4.61 4.39 2.88 -0.52 -2.35 113.62 110.58 2g46 n SER 23 Ca 0.13 0.00 -0.23 0.00 -1.33 0.00 0.00 58.87 57.43 2g46 n SER 23 Cb 0.45 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.83 2g46 n SER 23 CO 0.00 0.00 0.00 -0.36 -1.23 0.00 0.00 175.04 173.45 2g46 s PHE 24 N -2.00 2.59 0.46 0.66 0.08 -0.89 -5.01 117.98 113.87 2g46 s PHE 24 Ca 0.00 -0.28 0.08 0.00 0.12 0.00 0.00 56.93 56.85 2g46 s PHE 24 Cb 0.00 -1.21 0.01 0.00 -0.57 0.00 0.00 43.02 41.25 2g46 s PHE 24 CO 0.00 0.61 0.50 -2.00 -0.10 0.00 0.00 175.22 174.23 2g46 s GLU 25 N -3.65 2.55 -1.21 0.44 2.12 -1.26 -1.84 118.70 115.85 2g46 s GLU 25 Ca 0.32 -1.52 -0.22 0.00 0.36 0.00 0.00 54.97 53.91 2g46 s GLU 25 Cb -0.05 -2.50 -0.05 0.00 0.26 0.00 0.00 34.13 31.79 2g46 s GLU 25 CO 0.19 -0.37 1.89 0.21 -0.54 0.00 0.00 175.26 176.64 2g46 s LYS 26 N -4.29 2.82 0.00 4.30 2.20 -1.26 -3.15 119.74 120.36 2g46 s LYS 26 Ca 0.51 -1.36 0.00 0.00 -0.36 0.00 0.00 55.97 54.76 2g46 s LYS 26 Cb -0.05 -5.31 0.00 0.00 -1.51 0.00 0.00 37.83 30.96 2g46 s LYS 26 CO 0.30 -3.61 0.00 0.41 -0.36 0.00 0.00 175.35 172.09 2g46 n GLY 27 N 5.71 0.18 3.48 5.54 0.00 -0.02 -4.84 105.19 115.24 2g46 n GLY 27 Ca 0.46 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.23 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 0.00 1.70 -0.15 1.61 2.02 -1.19 -4.84 118.70 117.85 2g46 s GLU 28 Ca 0.00 -1.67 -0.18 0.00 0.02 0.00 0.00 54.97 53.14 2g46 s GLU 28 Cb 0.00 -1.83 -0.04 0.00 0.10 0.00 0.00 34.13 32.36 2g46 s GLU 28 CO 0.00 0.35 0.46 -1.17 0.02 0.00 0.00 175.26 174.93 2g46 s LEU 29 N -3.31 4.23 -0.21 1.80 1.98 -1.26 -0.79 118.68 121.12 2g46 s LEU 29 Ca 0.28 0.72 -0.12 0.00 -2.89 0.00 0.00 54.13 52.13 2g46 s LEU 29 Cb -0.06 -2.65 -0.19 0.00 0.66 0.00 0.00 46.19 43.95 2g46 s LEU 29 CO 0.14 -0.04 0.03 0.52 -1.89 0.00 0.00 176.35 175.11 2g46 n VAL 30 N 3.95 1.59 -3.58 1.68 0.31 0.19 -4.97 118.33 117.50 2g46 n VAL 30 Ca -0.07 -0.38 -0.09 0.00 -0.01 0.00 0.00 64.34 63.80 2g46 n VAL 30 Cb 0.51 -1.81 -0.04 0.00 -0.91 0.00 0.00 33.84 31.59 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 -2.48 0.54 -0.00 5.55 2.56 -1.22 -4.92 118.70 118.73 2g46 s GLU 31 Ca -0.31 0.05 -0.08 0.00 0.00 0.00 0.00 54.97 54.63 2g46 s GLU 31 Cb 0.09 0.25 0.00 0.00 2.00 0.00 0.00 34.13 36.47 2g46 s GLU 31 CO 0.61 -0.18 0.16 -1.83 -0.56 0.00 0.00 175.26 173.46 2g46 s GLU 32 N -1.46 0.49 0.00 4.30 -1.05 -1.26 -0.33 118.70 119.39 2g46 s GLU 32 Ca 0.01 -0.35 0.00 0.00 -0.15 0.00 0.00 54.97 54.48 2g46 s GLU 32 Cb -0.01 0.21 0.00 0.00 -0.44 0.00 0.00 34.13 33.89 2g46 s GLU 32 CO -0.01 -0.12 0.00 0.00 0.95 0.00 0.00 175.26 176.08 2g46 s LEU 34 N 0.00 3.30 0.04 0.00 2.01 -1.26 -1.68 118.68 121.10 2g46 s LEU 34 Ca 0.00 -0.69 -0.15 0.00 0.01 0.00 0.00 54.13 53.30 2g46 s LEU 34 Cb 0.00 -2.01 0.02 0.00 0.01 0.00 0.00 46.19 44.22 2g46 s LEU 34 CO 0.00 -1.14 0.33 0.00 1.01 0.00 0.00 176.35 176.55 2g46 s ILE 36 N -2.56 4.17 -0.24 0.00 1.01 -1.07 -4.82 121.20 117.70 2g46 s ILE 36 Ca -0.05 -0.61 -0.03 0.00 0.00 0.00 0.00 60.65 59.97 2g46 s ILE 36 Cb -0.01 -3.52 0.10 0.00 0.01 0.00 0.00 42.46 39.05 2g46 s ILE 36 CO -0.03 -0.32 0.23 -0.69 0.00 0.00 0.00 174.94 174.12 2g46 s VAL 37 N -2.44 -0.31 0.00 2.92 1.01 -1.26 -1.89 120.40 118.44 2g46 s VAL 37 Ca 0.46 -0.29 0.00 0.00 0.00 0.00 0.00 61.98 62.15 2g46 s VAL 37 Cb -0.10 -0.80 0.00 0.00 0.00 0.00 0.00 36.38 35.49 2g46 s VAL 37 CO 0.36 -0.34 0.00 0.54 0.00 0.00 0.00 175.10 175.66 2g46 n ARG 38 N 5.31 2.97 -3.12 2.72 5.12 0.28 -4.95 116.66 124.98 2g46 n ARG 38 Ca -0.05 0.00 -0.24 0.00 -1.93 0.00 0.00 57.85 55.64 2g46 n ARG 38 Cb 0.48 0.00 -0.05 0.00 -1.16 0.00 0.00 32.46 31.73 2g46 n ARG 38 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 2g46 n HIS 39 N -0.12 2.26 -3.09 -1.55 8.25 -1.26 -2.46 115.22 117.25 2g46 n HIS 39 Ca 0.00 -3.92 0.00 0.00 -0.26 0.00 0.00 57.72 53.54 2g46 n HIS 39 Cb 0.00 -0.46 0.00 0.00 1.12 0.00 0.00 29.99 30.65 2g46 n HIS 39 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 2g46 n ASN 40 N 0.25 0.00 0.00 0.41 4.13 -1.26 -4.88 115.26 113.91 2g46 n ASN 40 Ca 0.28 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.54 2g46 n ASN 40 Cb 0.50 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.74 2g46 n ASN 40 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 2g46 n ASP 41 N -3.16 0.00 -0.33 6.41 8.00 -1.26 -2.18 116.55 124.04 2g46 n ASP 41 Ca 0.00 0.00 0.36 0.00 0.71 0.00 0.00 54.79 55.86 2g46 n ASP 41 Cb 0.00 0.00 0.73 0.00 -0.02 0.00 0.00 41.12 41.83 2g46 n ASP 41 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 2g46 h ASP 42 N 9.56 0.00 -0.38 -2.24 3.32 -2.00 0.27 116.42 124.95 2g46 h ASP 42 Ca 0.00 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.01 2g46 h ASP 42 Cb 0.00 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 2g46 h ASP 42 CO 0.00 0.00 0.07 -0.25 -1.72 0.00 0.00 179.24 177.34 2g46 h TRP 43 N 0.00 0.67 -0.72 4.55 2.91 -1.78 -0.67 115.95 120.90 2g46 h TRP 43 Ca 0.57 -0.09 -0.07 0.00 1.13 0.00 0.00 58.89 60.44 2g46 h TRP 43 Cb 2.44 -0.18 -0.03 0.00 -0.51 0.00 0.00 29.16 30.87 2g46 h TRP 43 CO 0.00 0.67 0.19 0.78 -1.03 0.00 0.00 178.44 179.05 2g46 h GLY 44 N 0.48 1.23 0.29 2.65 0.00 -0.53 0.24 103.07 107.42 2g46 h GLY 44 Ca 0.12 -0.75 -0.01 0.00 0.00 0.00 0.00 47.33 46.68 2g46 h GLY 44 CO 0.01 0.70 -0.14 -0.84 0.00 0.00 0.00 176.54 176.27 2g46 h THR 45 N 1.08 0.00 0.33 4.70 2.02 -1.28 -1.24 112.91 118.52 2g46 h THR 45 Ca 0.23 -0.15 0.00 0.00 0.77 0.00 0.00 66.41 67.25 2g46 h THR 45 Cb 0.35 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 66.73 2g46 h THR 45 CO -0.00 0.00 -0.45 0.00 0.37 0.00 0.00 175.52 175.44 2g46 h ALA 46 N -1.67 -0.93 -0.54 6.16 0.00 -1.18 -2.48 119.26 118.62 2g46 h ALA 46 Ca -0.04 -0.13 -0.51 0.00 0.00 0.00 0.00 54.91 54.22 2g46 h ALA 46 Cb 0.30 0.68 -0.17 0.00 0.00 0.00 0.00 17.79 18.60 2g46 h ALA 46 CO 0.06 -1.07 0.49 1.28 0.00 0.00 0.00 179.25 180.01 2g46 n LEU 47 N -5.51 6.54 0.00 0.00 7.99 0.07 -4.57 117.00 121.53 2g46 n LEU 47 Ca -0.10 -4.11 0.13 0.00 -0.01 0.00 0.00 56.01 51.92 2g46 n LEU 47 Cb 0.41 -1.24 0.76 0.00 -0.11 0.00 0.00 43.42 43.24 2g46 n LEU 47 CO 0.24 1.75 0.94 -1.84 -1.51 0.00 0.00 177.39 176.97 2g46 n GLU 48 N 0.92 0.78 -4.26 3.23 -0.00 -0.47 -4.42 120.64 116.43 2g46 n GLU 48 Ca 0.50 0.00 -0.17 0.00 -0.00 0.00 0.00 57.16 57.49 2g46 n GLU 48 Cb 0.54 -1.50 -0.11 0.00 -0.00 0.00 0.00 31.44 30.37 2g46 n GLU 48 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.13 177.29 2g46 s ASP 49 N -2.04 2.02 -1.53 -1.84 -4.77 -1.26 -4.72 116.67 102.52 2g46 s ASP 49 Ca 0.38 -0.89 0.00 0.00 -3.30 0.00 0.00 52.55 48.74 2g46 s ASP 49 Cb 0.18 -0.06 0.00 0.00 -1.09 0.00 0.00 42.92 41.95 2g46 s ASP 49 CO 0.31 -0.20 0.00 -1.22 0.70 0.00 0.00 175.17 174.76 2g46 n TYR 50 N 0.21 -0.66 -4.37 2.11 4.01 -1.26 -4.93 117.16 112.28 2g46 n TYR 50 Ca -0.13 0.00 -0.33 0.00 -0.16 0.00 0.00 57.90 57.28 2g46 n TYR 50 Cb 0.58 -3.02 -0.15 0.00 -0.31 0.00 0.00 39.34 36.44 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 -4.77 2.41 -0.28 7.72 2.96 -1.26 -2.66 118.68 122.79 2g46 s LEU 51 Ca 0.00 -0.52 -0.20 0.00 -0.22 0.00 0.00 54.13 53.19 2g46 s LEU 51 Cb 0.00 -1.55 -0.01 0.00 0.50 0.00 0.00 46.19 45.12 2g46 s LEU 51 CO 0.00 0.05 0.63 -0.36 -1.32 0.00 0.00 176.35 175.35 2g46 s PHE 52 N 1.01 3.24 -0.07 5.38 0.40 0.86 -4.89 117.98 123.92 2g46 s PHE 52 Ca -0.02 0.69 -0.12 0.00 -0.60 0.00 0.00 56.93 56.89 2g46 s PHE 52 Cb -0.15 -2.92 -0.05 0.00 0.51 0.00 0.00 43.02 40.41 2g46 s PHE 52 CO -0.04 -0.41 0.29 -1.12 0.70 0.00 0.00 175.22 174.64 2g46 s SER 53 N 1.56 6.59 0.51 1.36 0.01 -1.26 -0.56 113.70 121.91 2g46 s SER 53 Ca 0.26 0.70 0.06 0.00 1.31 0.00 0.00 55.95 58.28 2g46 s SER 53 Cb -0.15 -2.17 0.02 0.00 0.21 0.00 0.00 66.02 63.93 2g46 s SER 53 CO 0.10 0.32 0.38 -0.60 0.41 0.00 0.00 173.24 173.86 2g46 s ARG 54 N -0.82 2.29 -1.22 12.44 3.52 -0.70 -4.96 118.95 129.52 2g46 s ARG 54 Ca 0.19 -1.93 -0.17 0.00 -0.13 0.00 0.00 55.73 53.69 2g46 s ARG 54 Cb -0.14 -2.13 0.11 0.00 -1.56 0.00 0.00 34.95 31.23 2g46 s ARG 54 CO 0.08 -0.51 1.56 0.15 -0.81 0.00 0.00 175.30 175.78 2g46 s LYS 55 N -4.22 3.97 0.00 5.12 -0.14 -1.26 -2.79 119.74 120.41 2g46 s LYS 55 Ca 0.37 -2.12 0.00 0.00 -1.36 0.00 0.00 55.97 52.86 2g46 s LYS 55 Cb -0.02 -5.31 0.00 0.00 -1.68 0.00 0.00 37.83 30.82 2g46 s LYS 55 CO 0.22 -2.04 0.00 0.09 -0.76 0.00 0.00 175.35 172.86 2g46 n ASN 56 N 7.31 0.00 0.00 2.83 3.02 -1.26 -5.12 115.26 122.04 2g46 n ASN 56 Ca 0.41 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.96 2g46 n ASN 56 Cb 0.45 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.62 2g46 n ASN 56 CO 0.00 0.00 0.00 1.15 -2.62 0.00 0.00 177.26 175.79 2g46 n MET 57 N 0.00 0.00 -3.86 3.52 0.00 -1.12 -4.95 117.12 110.70 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 -0.06 0.00 0.00 0.00 0.00 33.22 33.16 2g46 n MET 57 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 175.97 174.85 2g46 s SER 58 N 2.00 -0.08 0.06 3.17 0.01 -1.03 -1.72 113.70 116.11 2g46 s SER 58 Ca 0.00 -0.70 -0.14 0.00 1.31 0.00 0.00 55.95 56.42 2g46 s SER 58 Cb 0.00 0.49 0.02 0.00 0.21 0.00 0.00 66.02 66.74 2g46 s SER 58 CO 0.00 -0.95 0.32 0.00 0.41 0.00 0.00 173.24 173.02 2g46 s ALA 59 N -3.92 -0.72 0.24 1.44 0.00 0.27 -0.56 121.76 118.50 2g46 s ALA 59 Ca 0.13 -0.00 0.06 0.00 0.00 0.00 0.00 51.96 52.15 2g46 s ALA 59 Cb 0.02 0.38 -0.03 0.00 0.00 0.00 0.00 23.12 23.48 2g46 s ALA 59 CO -0.02 -0.45 0.28 1.41 0.00 0.00 0.00 175.76 176.98 2g46 s MET 60 N -2.79 3.21 -0.83 0.00 1.75 -0.79 -0.09 119.30 119.76 2g46 s MET 60 Ca -0.03 -0.88 -0.21 0.00 -1.25 0.00 0.00 55.69 53.32 2g46 s MET 60 Cb -0.00 -2.75 0.09 0.00 2.84 0.00 0.00 34.83 35.01 2g46 s MET 60 CO -0.05 0.42 1.11 0.00 -0.65 0.00 0.00 175.02 175.86 2g46 s ALA 61 N -2.03 3.16 0.00 4.11 0.00 -1.09 -2.58 121.76 123.33 2g46 s ALA 61 Ca 0.33 -2.29 0.00 0.00 0.00 0.00 0.00 51.96 50.00 2g46 s ALA 61 Cb -0.09 -4.05 0.00 0.00 0.00 0.00 0.00 23.12 18.99 2g46 s ALA 61 CO 0.27 -3.00 0.93 1.47 0.00 0.00 0.00 175.76 175.44 2g46 n LEU 62 N 7.40 0.00 0.00 0.00 -0.00 -0.75 -4.23 117.00 119.43 2g46 n LEU 62 Ca 0.14 0.93 0.00 0.00 -0.00 0.00 0.00 56.01 57.08 2g46 n LEU 62 Cb 0.48 -0.43 0.00 0.00 -0.00 0.00 0.00 43.42 43.47 2g46 n LEU 62 CO 0.58 -0.43 0.00 0.61 -0.00 0.00 0.00 177.39 178.15 2g46 n GLY 63 N -0.95 -2.49 1.90 1.47 0.00 -1.16 -4.66 105.19 99.30 2g46 n GLY 63 Ca 0.00 -0.60 -0.17 0.00 0.00 0.00 0.00 46.02 45.25 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 0.00 1.64 0.22 1.61 3.01 -1.26 -4.33 117.46 118.35 2g46 n PHE 64 Ca 0.00 -1.96 0.12 0.00 1.01 0.00 0.00 57.45 56.62 2g46 n PHE 64 Cb 0.00 -0.96 0.21 0.00 -0.01 0.00 0.00 39.48 38.72 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 2.49 0.00 0.10 1.37 0.00 -1.83 -3.32 103.07 101.88 2g46 h GLY 65 Ca 0.31 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 47.36 2g46 h GLY 65 CO 0.79 0.00 -1.51 0.00 0.00 0.00 0.00 176.54 175.82 2g46 n ALA 66 N -2.11 0.85 0.25 3.60 0.00 -1.26 -4.12 120.51 117.71 2g46 n ALA 66 Ca 0.04 -0.57 0.13 0.00 0.00 0.00 0.00 53.44 53.04 2g46 n ALA 66 Cb 0.52 -0.51 0.71 0.00 0.00 0.00 0.00 19.45 20.16 2g46 n ALA 66 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.50 176.66 2g46 h ILE 67 N -0.82 0.00 -2.00 0.00 -0.00 -1.85 -3.43 117.51 109.42 2g46 h ILE 67 Ca -0.40 0.00 -0.64 0.00 -0.00 0.00 0.00 64.86 63.82 2g46 h ILE 67 Cb 1.46 0.57 0.08 0.00 -0.00 0.00 0.00 36.82 38.93 2g46 h ILE 67 CO -0.18 0.00 0.31 0.49 -0.00 0.00 0.00 178.15 178.77 2g46 n PHE 68 N -2.53 1.39 -2.15 0.16 3.72 -1.25 -3.93 117.46 112.86 2g46 n PHE 68 Ca -0.02 0.65 0.00 0.00 -0.05 0.00 0.00 57.45 58.04 2g46 n PHE 68 Cb 0.22 -2.30 0.00 0.00 -0.94 0.00 0.00 39.48 36.47 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 2.05 0.00 -4.90 4.37 4.13 -1.26 -4.88 115.26 114.77 2g46 n ASN 69 Ca 0.15 -0.43 -0.24 0.00 1.68 0.00 0.00 54.58 55.74 2g46 n ASN 69 Cb 0.25 0.00 -0.03 0.00 -1.54 0.00 0.00 39.78 38.45 2g46 n ASN 69 CO 0.00 0.00 0.00 -2.28 0.28 0.00 0.00 177.26 175.26 2g46 s HIS 70 N 1.29 3.33 -0.29 3.10 5.65 -1.26 -3.89 115.29 123.21 2g46 s HIS 70 Ca 0.00 0.00 -0.16 0.00 0.25 0.00 0.00 55.06 55.15 2g46 s HIS 70 Cb 0.00 -1.55 0.18 0.00 -1.18 0.00 0.00 32.58 30.03 2g46 s HIS 70 CO 0.00 0.50 1.13 0.45 -0.65 0.00 0.00 174.74 176.17 2g46 s SER 71 N -3.55 -0.26 0.34 9.88 0.15 -1.26 -4.95 113.70 114.04 2g46 s SER 71 Ca 0.33 0.42 0.01 0.00 0.70 0.00 0.00 55.95 57.42 2g46 s SER 71 Cb -0.10 1.10 0.60 0.00 -1.71 0.00 0.00 66.02 65.92 2g46 s SER 71 CO 0.27 -0.07 2.00 0.50 1.20 0.00 0.00 173.24 177.15 2g46 h LYS 72 N 5.54 0.88 -2.93 5.44 1.63 -1.99 -3.29 116.57 121.86 2g46 h LYS 72 Ca -0.27 -0.05 -0.61 0.00 -0.85 0.00 0.00 60.65 58.86 2g46 h LYS 72 Cb 1.17 -0.20 -0.41 0.00 -0.60 0.00 0.00 32.23 32.19 2g46 h LYS 72 CO 0.22 0.58 -0.63 -0.25 -3.45 0.00 0.00 179.45 175.92 2g46 n ASP 73 N -4.43 2.63 -4.55 4.20 9.92 -1.26 -5.04 116.55 118.00 2g46 n ASP 73 Ca 0.07 -3.12 -0.37 0.00 -0.53 0.00 0.00 54.79 50.83 2g46 n ASP 73 Cb 0.04 -0.73 -0.03 0.00 -0.64 0.00 0.00 41.12 39.76 2g46 n ASP 73 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 2g46 s PRO 74 N -1.35 2.33 0.65 -0.24 0.04 -1.24 -4.79 135.00 130.40 2g46 s PRO 74 Ca 0.27 1.14 0.33 0.00 0.04 0.00 0.00 61.00 62.77 2g46 s PRO 74 Cb -0.02 -4.50 1.77 0.00 0.04 0.00 0.00 34.50 31.79 2g46 s PRO 74 CO -0.16 -3.03 2.02 -0.91 0.04 0.00 0.00 177.00 174.95 2g46 h ASN 75 N 17.72 0.00 -3.80 6.66 4.21 -1.84 -3.42 115.58 135.10 2g46 h ASN 75 Ca -0.25 0.00 -0.37 0.00 1.21 0.00 0.00 56.30 56.88 2g46 h ASN 75 Cb 1.23 0.00 -0.14 0.00 -1.12 0.00 0.00 38.32 38.28 2g46 h ASN 75 CO 1.17 0.00 -0.68 0.00 -1.29 0.00 0.00 177.43 176.63 2g46 s ALA 76 N -4.21 1.74 0.05 -0.83 0.00 -1.26 -2.01 121.76 115.25 2g46 s ALA 76 Ca -0.04 -1.68 -0.05 0.00 0.00 0.00 0.00 51.96 50.19 2g46 s ALA 76 Cb 0.11 0.30 -0.02 0.00 0.00 0.00 0.00 23.12 23.51 2g46 s ALA 76 CO 0.35 -0.17 0.08 0.50 0.00 0.00 0.00 175.76 176.52 2g46 s ARG 77 N -3.80 0.63 0.55 0.00 3.52 -0.70 -4.27 118.95 114.88 2g46 s ARG 77 Ca 0.24 -0.88 -0.02 0.00 -0.13 0.00 0.00 55.73 54.94 2g46 s ARG 77 Cb 0.04 0.24 0.02 0.00 -1.56 0.00 0.00 34.95 33.69 2g46 s ARG 77 CO 0.06 -0.16 0.82 -3.38 -0.81 0.00 0.00 175.30 171.83 2g46 s HIS 78 N -3.08 3.12 0.11 5.12 -3.43 -1.26 -1.41 115.29 114.46 2g46 s HIS 78 Ca -0.01 0.35 -0.10 0.00 -0.80 0.00 0.00 55.06 54.50 2g46 s HIS 78 Cb 0.02 -2.66 0.00 0.00 -1.43 0.00 0.00 32.58 28.50 2g46 s HIS 78 CO -0.07 -0.76 0.24 -2.00 -2.00 0.00 0.00 174.74 170.15 2g46 s GLU 79 N -4.84 0.95 0.09 -0.38 2.56 0.51 -4.86 118.70 112.74 2g46 s GLU 79 Ca 0.54 -0.97 0.09 0.00 0.00 0.00 0.00 54.97 54.62 2g46 s GLU 79 Cb -0.10 0.37 -0.03 0.00 2.00 0.00 0.00 34.13 36.36 2g46 s GLU 79 CO 0.41 -0.33 -0.22 -0.51 -0.56 0.00 0.00 175.26 174.05 2g46 s LEU 80 N -2.88 2.27 -1.08 2.70 1.43 -1.26 -0.89 118.68 118.98 2g46 s LEU 80 Ca 0.07 -0.66 -0.13 0.00 -1.03 0.00 0.00 54.13 52.39 2g46 s LEU 80 Cb 0.04 -1.00 -0.08 0.00 0.03 0.00 0.00 46.19 45.19 2g46 s LEU 80 CO -0.09 0.12 2.21 0.35 0.23 0.00 0.00 176.35 179.17 2g46 n THR 81 N 1.26 2.71 -3.95 5.49 -2.24 -1.10 -4.37 114.28 112.07 2g46 n THR 81 Ca -0.19 -1.94 -0.31 0.00 -2.27 0.00 0.00 64.05 59.34 2g46 n THR 81 Cb 0.53 -2.35 0.02 0.00 -2.10 0.00 0.00 70.33 66.43 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 5.48 -1.28 0.00 6.98 0.00 -1.26 -4.71 120.51 125.72 2g46 n ALA 82 Ca 0.53 0.18 0.00 0.00 0.00 0.00 0.00 53.44 54.14 2g46 n ALA 82 Cb 0.28 -4.39 0.00 0.00 0.00 0.00 0.00 19.45 15.34 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 -1.66 -0.66 0.73 0.00 0.00 -1.26 -5.00 105.19 97.34 2g46 n GLY 83 Ca 0.05 0.03 0.02 0.00 0.00 0.00 0.00 46.02 46.12 2g46 n GLY 83 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2g46 n LEU 84 N 0.00 0.61 -0.02 0.99 7.94 -1.26 -4.83 117.00 120.42 2g46 n LEU 84 Ca 0.00 -1.59 -0.01 0.00 -1.11 0.00 0.00 56.01 53.30 2g46 n LEU 84 Cb 0.00 -0.06 -0.00 0.00 0.53 0.00 0.00 43.42 43.88 2g46 n LEU 84 CO 0.00 0.41 -0.06 0.11 -1.11 0.00 0.00 177.39 176.74 2g46 h LYS 85 N 0.31 0.00 -6.21 1.96 1.79 -1.87 -3.43 116.57 109.12 2g46 h LYS 85 Ca -0.06 0.00 -0.49 0.00 -2.18 0.00 0.00 60.65 57.92 2g46 h LYS 85 Cb 1.48 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 32.09 2g46 h LYS 85 CO 0.03 0.00 -0.45 1.03 -1.08 0.00 0.00 179.45 178.98 2g46 s ARG 86 N -1.27 2.83 0.04 3.15 0.52 -1.26 -2.09 118.95 120.87 2g46 s ARG 86 Ca -0.02 -1.20 0.03 0.00 -0.52 0.00 0.00 55.73 54.01 2g46 s ARG 86 Cb 0.00 -2.55 -0.02 0.00 0.52 0.00 0.00 34.95 32.90 2g46 s ARG 86 CO 0.04 0.15 -0.09 -1.64 0.02 0.00 0.00 175.30 173.77 2g46 s MET 87 N -3.99 0.62 0.23 3.54 -1.94 -0.67 -2.70 119.30 114.38 2g46 s MET 87 Ca 0.40 -0.73 0.02 0.00 -1.71 0.00 0.00 55.69 53.67 2g46 s MET 87 Cb -0.07 -0.48 -0.05 0.00 2.01 0.00 0.00 34.83 36.24 2g46 s MET 87 CO 0.27 0.10 0.04 1.03 -0.01 0.00 0.00 175.02 176.45 2g46 s ARG 88 N -1.40 1.33 -0.35 2.03 0.52 -0.06 -1.40 118.95 119.62 2g46 s ARG 88 Ca -0.06 -1.69 -0.00 0.00 -0.52 0.00 0.00 55.73 53.46 2g46 s ARG 88 Cb -0.09 -0.41 0.12 0.00 0.52 0.00 0.00 34.95 35.09 2g46 s ARG 88 CO 0.01 -0.19 0.16 0.42 0.02 0.00 0.00 175.30 175.72 2g46 s ILE 89 N -3.60 0.82 0.75 1.52 1.01 0.55 -0.36 121.20 121.90 2g46 s ILE 89 Ca 0.31 -1.74 -0.03 0.00 0.00 0.00 0.00 60.65 59.19 2g46 s ILE 89 Cb 0.07 -1.60 0.15 0.00 0.01 0.00 0.00 42.46 41.09 2g46 s ILE 89 CO 0.10 -0.80 1.03 0.49 0.00 0.00 0.00 174.94 175.76 2g46 n PHE 90 N 4.35 -3.12 -3.90 3.97 3.01 -0.50 0.53 117.46 121.80 2g46 n PHE 90 Ca 0.03 -1.63 -0.32 0.00 1.01 0.00 0.00 57.45 56.54 2g46 n PHE 90 Cb 0.39 -0.76 -0.13 0.00 -0.01 0.00 0.00 39.48 38.96 2g46 n PHE 90 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 2g46 s THR 91 N -3.16 2.80 0.66 4.37 -4.23 0.03 -1.71 115.64 114.40 2g46 s THR 91 Ca 0.66 -2.83 0.35 0.00 -1.18 0.00 0.00 61.69 58.70 2g46 s THR 91 Cb -0.03 -2.94 0.36 0.00 1.34 0.00 0.00 72.50 71.22 2g46 s THR 91 CO 0.45 -0.74 2.09 0.16 -0.54 0.00 0.00 174.62 176.03 2g46 h ILE 92 N 5.87 0.05 -4.01 2.99 3.07 -1.70 -0.00 117.51 123.78 2g46 h ILE 92 Ca -0.06 0.00 -0.18 0.00 1.55 0.00 0.00 64.86 66.17 2g46 h ILE 92 Cb 0.96 0.79 -0.15 0.00 -0.27 0.00 0.00 36.82 38.15 2g46 h ILE 92 CO 0.65 0.00 -0.69 -0.54 -1.05 0.00 0.00 178.15 176.52 2g46 s LYS 93 N -4.18 0.74 0.88 0.16 1.02 -0.85 -4.69 119.74 112.82 2g46 s LYS 93 Ca -0.04 -1.29 -0.12 0.00 0.02 0.00 0.00 55.97 54.54 2g46 s LYS 93 Cb 0.11 -0.02 0.10 0.00 -0.52 0.00 0.00 37.83 37.50 2g46 s LYS 93 CO 0.35 -0.06 0.99 -2.30 -0.92 0.00 0.00 175.35 173.41 2g46 n PRO 94 N 0.02 -0.18 -3.79 -1.68 -0.02 -1.26 -4.28 135.00 123.81 2g46 n PRO 94 Ca -0.13 0.01 -0.13 0.00 -2.02 0.00 0.00 63.50 61.24 2g46 n PRO 94 Cb 0.61 -2.27 -0.13 0.00 -0.02 0.00 0.00 33.50 31.69 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 -2.39 -0.02 0.35 4.25 1.01 -0.77 -4.88 121.20 118.77 2g46 s ILE 95 Ca 0.67 0.06 0.07 0.00 0.00 0.00 0.00 60.65 61.45 2g46 s ILE 95 Cb -0.25 -0.26 -0.01 0.00 0.01 0.00 0.00 42.46 41.95 2g46 s ILE 95 CO 0.57 0.02 0.47 0.00 0.00 0.00 0.00 174.94 176.01 2g46 s ALA 96 N 0.49 4.25 -0.28 9.38 0.00 -1.26 -1.44 121.76 132.90 2g46 s ALA 96 Ca -0.03 -1.52 -0.28 0.00 0.00 0.00 0.00 51.96 50.12 2g46 s ALA 96 Cb -0.05 -1.61 -0.03 0.00 0.00 0.00 0.00 23.12 21.43 2g46 s ALA 96 CO -0.02 -0.07 1.94 0.42 0.00 0.00 0.00 175.76 178.03 2g46 s ILE 97 N -2.22 3.31 0.00 0.00 1.09 -0.99 -2.43 121.20 119.96 2g46 s ILE 97 Ca 0.46 0.32 0.00 0.00 -1.10 0.00 0.00 60.65 60.33 2g46 s ILE 97 Cb -0.09 -3.41 0.00 0.00 -1.06 0.00 0.00 42.46 37.90 2g46 s ILE 97 CO 0.31 -0.25 0.00 0.61 -0.10 0.00 0.00 174.94 175.51 2g46 n GLY 98 N 5.49 1.80 3.76 6.18 0.00 -0.07 -4.94 105.19 117.42 2g46 n GLY 98 Ca 0.25 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.06 2g46 n GLY 98 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2g46 n GLU 99 N -0.48 0.12 -4.16 1.61 -0.58 -0.96 -4.88 120.64 111.31 2g46 n GLU 99 Ca 0.00 -2.74 -0.28 0.00 -0.42 0.00 0.00 57.16 53.71 2g46 n GLU 99 Cb 0.00 -0.52 -0.17 0.00 -0.57 0.00 0.00 31.44 30.18 2g46 n GLU 99 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 2g46 s GLU 100 N -4.87 2.05 -0.08 3.49 2.12 -1.26 -0.23 118.70 119.92 2g46 s GLU 100 Ca 0.62 -0.48 -0.20 0.00 0.36 0.00 0.00 54.97 55.28 2g46 s GLU 100 Cb -0.04 -1.87 -0.04 0.00 0.26 0.00 0.00 34.13 32.44 2g46 s GLU 100 CO 0.41 -0.17 0.57 0.42 -0.54 0.00 0.00 175.26 175.94 2g46 s ILE 101 N 1.33 5.09 -0.13 -3.70 1.01 0.12 -4.70 121.20 120.23 2g46 s ILE 101 Ca 0.00 1.16 -0.29 0.00 0.00 0.00 0.00 60.65 61.52 2g46 s ILE 101 Cb -0.14 -3.91 0.09 0.00 0.01 0.00 0.00 42.46 38.52 2g46 s ILE 101 CO -0.06 0.32 0.79 -0.89 0.00 0.00 0.00 174.94 175.10 2g46 s THR 102 N 0.50 0.00 0.34 2.92 2.01 -1.26 -2.73 115.64 117.43 2g46 s THR 102 Ca 0.30 0.00 0.09 0.00 0.31 0.00 0.00 61.69 62.39 2g46 s THR 102 Cb -0.16 -1.00 -0.05 0.00 0.01 0.00 0.00 72.50 71.29 2g46 s THR 102 CO 0.14 0.00 0.05 0.27 -0.69 0.00 0.00 174.62 174.39 2g46 s ILE 103 N -0.81 2.69 0.00 1.82 -4.36 -1.25 -4.04 121.20 115.26 2g46 s ILE 103 Ca -0.06 -1.90 0.00 0.00 -0.26 0.00 0.00 60.65 58.44 2g46 s ILE 103 Cb -0.01 -2.85 0.00 0.00 1.25 0.00 0.00 42.46 40.85 2g46 s ILE 103 CO 0.05 -0.18 0.00 -0.24 0.24 0.00 0.00 174.94 174.81 2g46 n SER 104 N -1.01 0.00 0.00 4.36 2.88 -1.26 -4.45 113.62 114.14 2g46 n SER 104 Ca -0.04 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.50 2g46 n SER 104 Cb 0.62 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.08 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 -3.61 0.66 4.01 -1.26 -5.02 117.16 111.94 2g46 n TYR 105 Ca 0.00 0.00 0.01 0.00 -0.16 0.00 0.00 57.90 57.75 2g46 n TYR 105 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.02 2g46 n TYR 105 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 2g46 s GLY 106 N -0.66 -0.42 0.05 2.72 0.00 -1.26 -4.97 107.32 102.78 2g46 s GLY 106 Ca 0.00 0.81 -0.33 0.00 0.00 0.00 0.00 44.72 45.20 2g46 s GLY 106 CO 0.00 0.16 1.46 -0.55 0.00 0.00 0.00 173.10 174.17 2g46 h ASP 107 N 2.00 -0.91 -0.94 1.64 5.19 -1.86 -1.64 116.42 119.90 2g46 h ASP 107 Ca -0.29 0.02 0.04 0.00 -0.62 0.00 0.00 57.03 56.18 2g46 h ASP 107 Cb 1.20 0.24 -0.06 0.00 0.18 0.00 0.00 39.33 40.89 2g46 h ASP 107 CO 0.28 -0.60 0.62 0.44 -3.12 0.00 0.00 179.24 176.86 2g46 h ASP 108 N -1.17 1.01 -0.50 6.45 3.32 -1.97 -1.47 116.42 122.09 2g46 h ASP 108 Ca -0.11 -0.01 -0.27 0.00 0.02 0.00 0.00 57.03 56.66 2g46 h ASP 108 Cb 0.84 -0.23 -0.15 0.00 0.22 0.00 0.00 39.33 40.01 2g46 h ASP 108 CO 0.18 0.68 0.35 0.00 -1.72 0.00 0.00 179.24 178.73 2g46 n TYR 109 N -4.45 1.54 -3.84 4.55 9.36 -1.12 -4.90 117.16 118.29 2g46 n TYR 109 Ca 0.13 -1.30 0.00 0.00 3.32 0.00 0.00 57.90 60.05 2g46 n TYR 109 Cb 0.12 -0.66 0.00 0.00 -0.63 0.00 0.00 39.34 38.18 2g46 n TYR 109 CO 0.00 0.00 0.00 1.87 0.22 0.00 0.00 176.86 178.95 2g46 n TRP 110 N -0.22 -0.20 -1.13 2.98 -0.00 -0.55 -4.30 117.44 114.00 2g46 n TRP 110 Ca 0.30 -0.08 -0.35 0.00 -0.00 0.00 0.00 57.50 57.37 2g46 n TRP 110 Cb 1.01 0.04 0.08 0.00 -0.00 0.00 0.00 31.31 32.44 2g46 n TRP 110 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 177.69 177.58 2g46 n LEU 111 N 0.00 0.55 -4.60 5.87 7.94 -1.26 -4.78 117.00 120.72 2g46 n LEU 111 Ca 0.00 0.52 -0.43 0.00 -1.11 0.00 0.00 56.01 54.99 2g46 n LEU 111 Cb 0.06 -1.21 -0.03 0.00 0.53 0.00 0.00 43.42 42.77 2g46 n LEU 111 CO 0.02 -3.25 1.44 -0.55 -1.11 0.00 0.00 177.39 173.94 2g46 s SER 112 N -1.62 6.06 -0.36 1.96 0.15 -1.26 -4.03 113.70 114.59 2g46 s SER 112 Ca 0.63 1.23 -0.17 0.00 0.70 0.00 0.00 55.95 58.34 2g46 s SER 112 Cb -0.31 -2.53 0.02 0.00 -1.71 0.00 0.00 66.02 61.50 2g46 s SER 112 CO 0.61 -1.59 0.44 0.54 1.20 0.00 0.00 173.24 174.44 2g46 n ARG 113 N 8.26 -2.25 -2.16 5.44 1.74 -1.26 -4.79 116.66 121.64 2g46 n ARG 113 Ca 0.21 1.92 -0.40 0.00 -0.77 0.00 0.00 57.85 58.81 2g46 n ARG 113 Cb 0.47 -4.16 -0.03 0.00 -1.02 0.00 0.00 32.46 27.72 2g46 n ARG 113 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2g46 s PRO 114 N -2.21 2.89 -0.07 5.56 0.04 -1.26 -4.97 135.00 134.99 2g46 s PRO 114 Ca 0.21 0.57 -0.29 0.00 0.04 0.00 0.00 61.00 61.53 2g46 s PRO 114 Cb -0.04 -4.30 -0.02 0.00 0.04 0.00 0.00 34.50 30.18 2g46 s PRO 114 CO 0.72 -2.43 0.95 1.03 0.04 0.00 0.00 177.00 177.30 2g46 s ARG 115 N 6.46 4.46 -0.11 4.56 1.81 -1.26 -4.92 118.95 129.96 2g46 s ARG 115 Ca 0.62 1.31 0.15 0.00 -1.72 0.00 0.00 55.73 56.09 2g46 s ARG 115 Cb -0.13 -3.50 0.25 0.00 -0.45 0.00 0.00 34.95 31.11 2g46 s ARG 115 CO 0.22 -0.18 1.13 1.28 -0.68 0.00 0.00 175.30 177.07 2g46 n LEU 116 N 4.48 1.87 -4.78 2.53 4.77 -1.26 -5.06 117.00 119.56 2g46 n LEU 116 Ca 0.06 -2.71 -0.37 0.00 -0.03 0.00 0.00 56.01 52.96 2g46 n LEU 116 Cb 0.50 -0.34 -0.03 0.00 -2.33 0.00 0.00 43.42 41.22 2g46 n LEU 116 CO 0.51 0.67 0.77 -0.89 -1.33 0.00 0.00 177.39 177.13 2g46 s THR 117 N -2.25 3.51 0.42 -5.08 2.01 -1.26 -4.99 115.64 108.00 2g46 s THR 117 Ca 0.26 1.22 -0.25 0.00 0.31 0.00 0.00 61.69 63.23 2g46 s THR 117 Cb 0.23 -3.66 -0.08 0.00 0.01 0.00 0.00 72.50 69.00 2g46 s THR 117 CO 0.01 0.07 1.24 -1.58 -0.69 0.00 0.00 174.62 173.67 2g46 s GLN 118 N -2.34 3.92 0.00 4.92 0.74 -1.26 -5.31 119.66 120.32 2g46 s GLN 118 Ca 0.57 2.00 0.18 0.00 0.05 0.00 0.00 55.36 58.15 2g46 s GLN 118 Cb -0.26 -2.65 1.05 0.00 1.10 0.00 0.00 33.01 32.25 2g46 s GLN 118 CO 0.32 -0.48 1.45 0.27 -0.55 0.00 0.00 175.29 176.30