#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 -2.56 -1.75 2.03 7.35 -1.26 -4.84 117.46 116.43 2g46 n PHE 2 Ca 0.00 0.96 -0.34 0.00 -0.76 0.00 0.00 57.45 57.31 2g46 n PHE 2 Cb 0.00 -3.64 -0.03 0.00 0.35 0.00 0.00 39.48 36.16 2g46 n PHE 2 CO 0.00 0.00 0.00 0.09 -0.76 0.00 0.00 176.76 176.09 2g46 n ASN 3 N -2.20 7.30 0.00 -2.13 4.13 0.93 -4.88 115.26 118.40 2g46 n ASN 3 Ca -0.11 -3.15 0.00 0.00 1.68 0.00 0.00 54.58 53.00 2g46 n ASN 3 Cb 0.57 -1.31 0.00 0.00 -1.54 0.00 0.00 39.78 37.51 2g46 n ASN 3 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 2g46 n ASP 4 N 1.37 0.00 -0.26 6.41 2.03 -1.26 -2.73 116.55 122.11 2g46 n ASP 4 Ca 0.56 0.00 0.24 0.00 0.52 0.00 0.00 54.79 56.11 2g46 n ASP 4 Cb 0.40 0.00 0.58 0.00 -0.72 0.00 0.00 41.12 41.38 2g46 n ASP 4 CO 0.00 0.00 0.00 0.03 -1.92 0.00 0.00 177.20 175.31 2g46 h ARG 5 N 0.00 0.27 -2.65 -0.67 3.08 -1.98 -3.42 114.38 109.01 2g46 h ARG 5 Ca 0.00 -0.02 -0.11 0.00 0.07 0.00 0.00 59.98 59.92 2g46 h ARG 5 Cb 0.00 -0.06 -0.24 0.00 0.08 0.00 0.00 29.97 29.75 2g46 h ARG 5 CO 0.00 0.18 -0.21 0.08 -1.07 0.00 0.00 179.97 178.95 2g46 s VAL 6 N -5.30 -0.00 0.30 2.04 1.01 -1.10 -3.75 120.40 113.60 2g46 s VAL 6 Ca -0.07 0.01 0.09 0.00 0.00 0.00 0.00 61.98 62.01 2g46 s VAL 6 Cb 0.23 -0.63 -0.05 0.00 0.00 0.00 0.00 36.38 35.94 2g46 s VAL 6 CO 0.79 0.01 0.00 -0.51 0.00 0.00 0.00 175.10 175.38 2g46 s ILE 7 N 0.41 3.00 -0.25 2.22 2.07 -1.06 -0.05 121.20 127.55 2g46 s ILE 7 Ca -0.01 -1.96 -0.07 0.00 -1.41 0.00 0.00 60.65 57.20 2g46 s ILE 7 Cb -0.04 -2.79 -0.03 0.00 0.13 0.00 0.00 42.46 39.74 2g46 s ILE 7 CO -0.02 -0.29 0.06 -0.69 -1.91 0.00 0.00 174.94 172.09 2g46 s VAL 8 N -2.42 4.20 0.03 4.00 1.01 -1.26 -2.32 120.40 123.63 2g46 s VAL 8 Ca 0.33 -0.21 0.07 0.00 0.00 0.00 0.00 61.98 62.17 2g46 s VAL 8 Cb -0.04 -2.96 -0.03 0.00 0.00 0.00 0.00 36.38 33.36 2g46 s VAL 8 CO 0.20 0.35 -0.19 -0.54 0.00 0.00 0.00 175.10 174.91 2g46 s LYS 9 N 1.59 2.09 -1.01 2.72 1.02 -0.39 -4.75 119.74 121.02 2g46 s LYS 9 Ca 0.06 -0.96 -0.12 0.00 0.02 0.00 0.00 55.97 54.97 2g46 s LYS 9 Cb -0.15 -2.17 -0.02 0.00 -0.52 0.00 0.00 37.83 34.97 2g46 s LYS 9 CO 0.03 0.55 0.78 1.63 -0.92 0.00 0.00 175.35 177.41 2g46 n LYS 10 N 1.74 -1.44 -4.33 1.68 5.02 -0.71 0.32 118.16 120.42 2g46 n LYS 10 Ca -0.16 0.76 -0.28 0.00 -2.02 0.00 0.00 58.31 56.61 2g46 n LYS 10 Cb 0.52 -4.50 -0.07 0.00 -0.02 0.00 0.00 35.03 30.96 2g46 n LYS 10 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 2g46 s SER 11 N -3.31 4.29 0.48 4.39 1.04 -1.26 -4.98 113.70 114.35 2g46 s SER 11 Ca 0.33 -1.30 0.16 0.00 0.48 0.00 0.00 55.95 55.62 2g46 s SER 11 Cb -0.10 -0.07 1.15 0.00 0.10 0.00 0.00 66.02 67.10 2g46 s SER 11 CO 0.82 -0.69 2.05 -0.65 0.98 0.00 0.00 173.24 175.75 2g46 h PRO 12 N 1.36 0.22 0.16 4.02 0.11 -2.00 -1.97 132.00 133.90 2g46 h PRO 12 Ca -0.42 -0.01 -0.30 0.00 0.11 0.00 0.00 66.00 65.37 2g46 h PRO 12 Cb 1.27 -0.05 0.01 0.00 0.11 0.00 0.00 31.00 32.34 2g46 h PRO 12 CO 0.71 0.14 -1.41 -0.07 -0.21 0.00 0.00 178.00 177.16 2g46 h LEU 13 N 0.22 0.52 0.00 2.35 3.38 -2.03 -3.50 115.31 116.25 2g46 h LEU 13 Ca 0.17 -0.61 0.00 0.00 0.09 0.00 0.00 57.88 57.53 2g46 h LEU 13 Cb 0.38 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.96 2g46 h LEU 13 CO -0.03 1.49 0.00 0.61 0.09 0.00 0.00 178.44 180.60 2g46 n GLY 14 N 1.63 0.47 1.88 0.83 0.00 -0.74 -5.14 105.19 104.12 2g46 n GLY 14 Ca -0.14 -2.24 0.05 0.00 0.00 0.00 0.00 46.02 43.69 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 0.00 -2.05 2.37 -0.02 0.00 -1.26 -4.19 105.19 100.03 2g46 n GLY 15 Ca 0.00 -1.38 -0.26 0.00 0.00 0.00 0.00 46.02 44.38 2g46 n GLY 15 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2g46 n TYR 16 N -1.81 1.66 -3.52 1.61 4.19 -1.26 -1.74 117.16 116.29 2g46 n TYR 16 Ca 0.00 -3.87 -0.06 0.00 3.31 0.00 0.00 57.90 57.29 2g46 n TYR 16 Cb 0.18 -0.42 0.00 0.00 0.49 0.00 0.00 39.34 39.59 2g46 n TYR 16 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 2g46 n GLY 17 N 1.31 2.85 3.62 2.98 0.00 0.15 -4.36 105.19 111.75 2g46 n GLY 17 Ca 0.26 -2.20 -0.24 0.00 0.00 0.00 0.00 46.02 43.84 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 -0.55 3.36 -0.11 1.61 1.01 -1.10 -1.26 120.40 123.36 2g46 s VAL 18 Ca 0.08 -1.87 0.03 0.00 0.00 0.00 0.00 61.98 60.22 2g46 s VAL 18 Cb -0.01 -2.77 0.01 0.00 0.00 0.00 0.00 36.38 33.61 2g46 s VAL 18 CO 0.05 -0.32 -0.22 -0.36 0.00 0.00 0.00 175.10 174.26 2g46 s PHE 19 N -2.19 2.48 -0.78 5.22 0.40 -0.98 -0.30 117.98 121.82 2g46 s PHE 19 Ca 0.30 -1.11 -0.20 0.00 -0.60 0.00 0.00 56.93 55.32 2g46 s PHE 19 Cb -0.07 -1.68 0.11 0.00 0.51 0.00 0.00 43.02 41.89 2g46 s PHE 19 CO 0.19 -0.48 1.00 0.00 0.70 0.00 0.00 175.22 176.63 2g46 s ALA 20 N 0.58 3.29 0.44 5.36 0.00 0.66 -2.56 121.76 129.52 2g46 s ALA 20 Ca -0.14 -2.35 0.27 0.00 0.00 0.00 0.00 51.96 49.75 2g46 s ALA 20 Cb -0.17 -3.90 1.49 0.00 0.00 0.00 0.00 23.12 20.55 2g46 s ALA 20 CO 0.04 -2.81 2.10 0.00 0.00 0.00 0.00 175.76 175.09 2g46 h ARG 21 N 9.15 0.00 -7.50 0.00 -0.00 -1.80 -1.99 114.38 112.23 2g46 h ARG 21 Ca -0.08 0.00 -0.46 0.00 -0.50 0.00 0.00 59.98 58.95 2g46 h ARG 21 Cb 1.05 0.00 0.13 0.00 0.00 0.00 0.00 29.97 31.15 2g46 h ARG 21 CO 1.13 0.10 0.27 0.15 0.00 0.00 0.00 179.97 181.63 2g46 s LYS 22 N -4.27 0.98 0.00 0.04 1.02 -1.26 -3.88 119.74 112.39 2g46 s LYS 22 Ca -0.03 -0.85 0.00 0.00 0.02 0.00 0.00 55.97 55.11 2g46 s LYS 22 Cb 0.13 -2.07 0.00 0.00 -0.52 0.00 0.00 37.83 35.37 2g46 s LYS 22 CO 0.58 -2.05 0.00 0.45 -0.92 0.00 0.00 175.35 173.41 2g46 n SER 23 N -3.37 0.00 -4.72 2.83 2.88 0.03 -1.81 113.62 109.45 2g46 n SER 23 Ca 0.16 0.00 -0.29 0.00 -1.33 0.00 0.00 58.87 57.41 2g46 n SER 23 Cb 0.60 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.99 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 3.05 0.00 0.66 0.08 -0.92 -4.99 117.98 113.86 2g46 s PHE 24 Ca 0.00 -0.01 0.00 0.00 0.12 0.00 0.00 56.93 57.04 2g46 s PHE 24 Cb 0.00 -1.54 0.00 0.00 -0.57 0.00 0.00 43.02 40.91 2g46 s PHE 24 CO 0.00 0.50 0.00 -1.91 -0.10 0.00 0.00 175.22 173.71 2g46 n GLU 25 N 0.37 3.31 -2.99 0.44 2.13 -1.26 -1.79 120.64 120.85 2g46 n GLU 25 Ca -0.10 0.00 -0.42 0.00 0.66 0.00 0.00 57.16 57.30 2g46 n GLU 25 Cb 0.52 0.00 0.01 0.00 0.27 0.00 0.00 31.44 32.24 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 4.50 0.00 5.31 4.81 -1.26 -3.21 118.16 128.31 2g46 n LYS 26 Ca 0.00 -4.57 0.00 0.00 -0.87 0.00 0.00 58.31 52.87 2g46 n LYS 26 Cb 0.00 -2.50 0.00 0.00 0.02 0.00 0.00 35.03 32.55 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 1.20 0.65 0.00 3.14 0.00 -1.02 -4.92 105.19 104.24 2g46 n GLY 27 Ca 0.27 -0.53 0.00 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 0.00 0.33 -1.77 1.61 0.00 -1.26 -5.00 120.64 114.55 2g46 n GLU 28 Ca 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 57.16 56.64 2g46 n GLU 28 Cb 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 31.44 30.86 2g46 n GLU 28 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.13 177.02 2g46 n LEU 29 N -0.06 -5.57 0.00 4.31 0.00 -1.26 -4.99 117.00 109.43 2g46 n LEU 29 Ca 0.00 3.16 0.00 0.00 0.00 0.00 0.00 56.01 59.17 2g46 n LEU 29 Cb 0.40 -3.03 0.00 0.00 0.00 0.00 0.00 43.42 40.79 2g46 n LEU 29 CO 0.00 -0.42 0.00 0.52 0.00 0.00 0.00 177.39 177.49 2g46 n VAL 30 N 0.23 0.00 -4.19 1.96 0.31 0.43 -4.90 118.33 112.17 2g46 n VAL 30 Ca 0.00 0.24 -0.11 0.00 -0.01 0.00 0.00 64.34 64.46 2g46 n VAL 30 Cb 0.00 -1.20 -0.10 0.00 -0.91 0.00 0.00 33.84 31.63 2g46 n VAL 30 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 2g46 s GLU 31 N -0.58 0.90 0.00 5.55 0.41 -1.22 -4.95 118.70 118.81 2g46 s GLU 31 Ca 0.00 -1.38 0.00 0.00 -0.41 0.00 0.00 54.97 53.18 2g46 s GLU 31 Cb 0.00 -0.23 -0.00 0.00 -1.78 0.00 0.00 34.13 32.11 2g46 s GLU 31 CO 0.00 -0.03 -0.01 -1.83 -0.49 0.00 0.00 175.26 172.89 2g46 s GLU 32 N -3.85 0.10 0.18 1.61 1.03 -1.26 -0.75 118.70 115.77 2g46 s GLU 32 Ca 0.14 -0.15 -0.02 0.00 0.03 0.00 0.00 54.97 54.98 2g46 s GLU 32 Cb 0.05 -0.01 0.01 0.00 -0.80 0.00 0.00 34.13 33.38 2g46 s GLU 32 CO -0.03 -0.00 0.27 0.00 -1.33 0.00 0.00 175.26 174.17 2g46 s LEU 34 N 0.00 3.28 0.22 0.00 2.01 -1.26 -0.16 118.68 122.76 2g46 s LEU 34 Ca 0.14 -0.51 -0.10 0.00 0.01 0.00 0.00 54.13 53.67 2g46 s LEU 34 Cb -0.01 -2.20 -0.01 0.00 0.01 0.00 0.00 46.19 43.98 2g46 s LEU 34 CO 0.10 -1.21 0.37 0.00 1.01 0.00 0.00 176.35 176.62 2g46 s ILE 36 N -4.02 5.32 -0.59 0.00 1.01 -0.99 -4.74 121.20 117.19 2g46 s ILE 36 Ca 0.23 -0.47 0.04 0.00 0.00 0.00 0.00 60.65 60.45 2g46 s ILE 36 Cb 0.02 -3.62 0.16 0.00 0.01 0.00 0.00 42.46 39.03 2g46 s ILE 36 CO 0.07 0.09 0.41 -0.69 0.00 0.00 0.00 174.94 174.82 2g46 s VAL 37 N -1.55 2.13 0.03 2.92 1.01 -1.26 -0.78 120.40 122.90 2g46 s VAL 37 Ca 0.35 -3.65 0.03 0.00 0.00 0.00 0.00 61.98 58.71 2g46 s VAL 37 Cb -0.13 -2.42 -0.04 0.00 0.00 0.00 0.00 36.38 33.80 2g46 s VAL 37 CO 0.28 -1.03 -0.02 -0.13 0.00 0.00 0.00 175.10 174.20 2g46 s ARG 38 N -0.82 2.63 0.76 2.72 1.81 0.03 -4.96 118.95 121.12 2g46 s ARG 38 Ca 0.25 -0.73 -0.13 0.00 -1.72 0.00 0.00 55.73 53.41 2g46 s ARG 38 Cb -0.07 -2.57 0.20 0.00 -0.45 0.00 0.00 34.95 32.06 2g46 s ARG 38 CO -0.14 0.59 0.48 0.72 -0.68 0.00 0.00 175.30 176.27 2g46 n HIS 39 N 1.14 -3.05 0.00 -0.53 8.25 -1.26 -2.05 115.22 117.72 2g46 n HIS 39 Ca -0.13 -0.45 0.00 0.00 -0.26 0.00 0.00 57.72 56.87 2g46 n HIS 39 Cb 0.52 -0.65 0.00 0.00 1.12 0.00 0.00 29.99 30.98 2g46 n HIS 39 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 2g46 n ASN 40 N -4.42 0.00 0.00 0.41 4.05 -1.26 -4.42 115.26 109.62 2g46 n ASN 40 Ca 0.07 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.10 2g46 n ASN 40 Cb 0.32 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.33 2g46 n ASN 40 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 177.26 174.68 2g46 n ASP 41 N 0.00 0.00 -0.14 1.20 9.92 -1.26 -2.06 116.55 124.22 2g46 n ASP 41 Ca 0.00 0.00 0.27 0.00 -0.53 0.00 0.00 54.79 54.53 2g46 n ASP 41 Cb 0.00 0.00 0.62 0.00 -0.64 0.00 0.00 41.12 41.10 2g46 n ASP 41 CO 0.00 0.00 0.00 0.44 0.13 0.00 0.00 177.20 177.77 2g46 h ASP 42 N 4.39 0.00 0.55 -2.24 3.32 -1.99 -0.25 116.42 120.19 2g46 h ASP 42 Ca 0.00 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.02 2g46 h ASP 42 Cb 0.00 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.56 2g46 h ASP 42 CO 0.00 0.00 -0.26 -0.25 -1.72 0.00 0.00 179.24 177.01 2g46 h TRP 43 N 0.00 -0.68 -0.25 4.55 2.91 -1.63 0.38 115.95 121.23 2g46 h TRP 43 Ca 0.41 -0.02 0.07 0.00 1.13 0.00 0.00 58.89 60.49 2g46 h TRP 43 Cb 2.19 0.22 -0.01 0.00 -0.51 0.00 0.00 29.16 31.06 2g46 h TRP 43 CO 0.00 -0.37 0.28 0.78 -1.03 0.00 0.00 178.44 178.10 2g46 h GLY 44 N -1.11 0.00 0.00 2.65 0.00 -1.19 -0.47 103.07 102.95 2g46 h GLY 44 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.26 2g46 h GLY 44 CO 0.12 0.00 -0.03 -0.84 0.00 0.00 0.00 176.54 175.79 2g46 h THR 45 N 0.00 0.00 0.16 4.70 2.02 -1.25 -2.92 112.91 115.62 2g46 h THR 45 Ca 0.12 -0.55 0.01 0.00 0.77 0.00 0.00 66.41 66.76 2g46 h THR 45 Cb 0.68 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 67.05 2g46 h THR 45 CO -0.00 0.00 -0.44 0.00 0.37 0.00 0.00 175.52 175.45 2g46 h ALA 46 N -1.45 -0.82 -0.57 6.16 0.00 -0.76 -2.31 119.26 119.52 2g46 h ALA 46 Ca 0.00 -0.09 -0.55 0.00 0.00 0.00 0.00 54.91 54.27 2g46 h ALA 46 Cb 0.03 0.72 -0.17 0.00 0.00 0.00 0.00 17.79 18.38 2g46 h ALA 46 CO 0.00 -1.02 0.75 1.28 0.00 0.00 0.00 179.25 180.26 2g46 n LEU 47 N -5.48 6.76 -2.80 0.00 4.32 -0.20 -4.83 117.00 114.77 2g46 n LEU 47 Ca -0.08 -4.23 -0.14 0.00 -0.02 0.00 0.00 56.01 51.54 2g46 n LEU 47 Cb 0.39 -1.25 -0.04 0.00 -1.62 0.00 0.00 43.42 40.90 2g46 n LEU 47 CO 0.20 1.79 1.76 -1.84 -1.22 0.00 0.00 177.39 178.08 2g46 n GLU 48 N 0.99 1.53 0.00 3.23 -0.00 -0.87 -4.65 120.64 120.86 2g46 n GLU 48 Ca 0.51 -1.02 0.00 0.00 -0.00 0.00 0.00 57.16 56.65 2g46 n GLU 48 Cb 0.49 -2.15 0.00 0.00 -0.00 0.00 0.00 31.44 29.79 2g46 n GLU 48 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 2g46 n ASP 49 N 3.68 0.00 -1.78 -1.84 8.00 -1.26 -4.99 116.55 118.37 2g46 n ASP 49 Ca 0.33 0.00 -0.20 0.00 0.71 0.00 0.00 54.79 55.62 2g46 n ASP 49 Cb 0.25 0.00 -0.07 0.00 -0.02 0.00 0.00 41.12 41.28 2g46 n ASP 49 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 2g46 n TYR 50 N -0.29 -0.26 -3.66 1.24 4.01 -1.26 -4.95 117.16 111.98 2g46 n TYR 50 Ca 0.00 0.00 -0.39 0.00 -0.16 0.00 0.00 57.90 57.35 2g46 n TYR 50 Cb 0.00 -3.56 -0.12 0.00 -0.31 0.00 0.00 39.34 35.35 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 -5.00 4.27 -0.60 7.72 1.43 -1.26 -2.39 118.68 122.84 2g46 s LEU 51 Ca 0.00 -0.75 -0.22 0.00 -1.03 0.00 0.00 54.13 52.13 2g46 s LEU 51 Cb 0.00 -1.98 0.06 0.00 0.03 0.00 0.00 46.19 44.31 2g46 s LEU 51 CO 0.00 -0.26 0.90 -0.36 0.23 0.00 0.00 176.35 176.85 2g46 s PHE 52 N 1.56 2.78 0.19 0.29 0.08 0.57 -4.74 117.98 118.70 2g46 s PHE 52 Ca 0.03 -0.43 0.03 0.00 0.12 0.00 0.00 56.93 56.68 2g46 s PHE 52 Cb -0.18 -4.12 -0.03 0.00 -0.57 0.00 0.00 43.02 38.12 2g46 s PHE 52 CO 0.05 -1.46 0.33 -1.54 -0.10 0.00 0.00 175.22 172.50 2g46 s SER 53 N 3.32 6.33 0.11 1.36 1.04 -1.26 -1.64 113.70 122.95 2g46 s SER 53 Ca 0.23 0.15 0.00 0.00 0.48 0.00 0.00 55.95 56.81 2g46 s SER 53 Cb -0.16 -1.90 0.00 0.00 0.10 0.00 0.00 66.02 64.06 2g46 s SER 53 CO 0.13 -0.01 0.02 0.54 0.98 0.00 0.00 173.24 174.89 2g46 n ARG 54 N -0.93 1.65 -2.72 4.02 1.74 -0.47 -4.90 116.66 115.06 2g46 n ARG 54 Ca -0.08 -0.75 -0.43 0.00 -0.77 0.00 0.00 57.85 55.82 2g46 n ARG 54 Cb 0.55 0.17 -0.00 0.00 -1.02 0.00 0.00 32.46 32.17 2g46 n ARG 54 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 2g46 s LYS 55 N -2.40 4.01 0.00 5.56 1.02 -1.26 -2.86 119.74 123.81 2g46 s LYS 55 Ca 0.01 -2.18 0.00 0.00 0.02 0.00 0.00 55.97 53.82 2g46 s LYS 55 Cb -0.00 -5.35 0.00 0.00 -0.52 0.00 0.00 37.83 31.96 2g46 s LYS 55 CO 0.01 -2.07 0.00 0.09 -0.92 0.00 0.00 175.35 172.46 2g46 n ASN 56 N 7.38 0.00 -0.93 2.83 4.13 -1.26 -5.14 115.26 122.27 2g46 n ASN 56 Ca 0.44 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.70 2g46 n ASN 56 Cb 0.45 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.69 2g46 n ASN 56 CO 0.00 0.00 0.00 1.15 0.28 0.00 0.00 177.26 178.69 2g46 n MET 57 N 0.00 0.00 -4.21 3.52 0.00 -1.14 -4.94 117.12 110.35 2g46 n MET 57 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 57.70 57.50 2g46 n MET 57 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 33.22 33.10 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 -0.80 1.99 0.34 3.17 0.01 -0.87 -1.36 113.70 116.17 2g46 s SER 58 Ca 0.00 -0.65 0.04 0.00 1.31 0.00 0.00 55.95 56.66 2g46 s SER 58 Cb 0.00 -0.08 -0.03 0.00 0.21 0.00 0.00 66.02 66.12 2g46 s SER 58 CO 0.00 -0.03 0.18 0.00 0.41 0.00 0.00 173.24 173.79 2g46 s ALA 59 N -1.26 2.21 0.21 1.44 0.00 -0.65 -0.79 121.76 122.92 2g46 s ALA 59 Ca 0.01 -1.68 0.11 0.00 0.00 0.00 0.00 51.96 50.40 2g46 s ALA 59 Cb -0.10 1.11 -0.05 0.00 0.00 0.00 0.00 23.12 24.08 2g46 s ALA 59 CO 0.03 -0.49 -0.21 1.41 0.00 0.00 0.00 175.76 176.50 2g46 s MET 60 N -3.71 1.50 -0.88 0.00 1.75 0.04 -0.32 119.30 117.69 2g46 s MET 60 Ca 0.33 -1.58 -0.20 0.00 -1.25 0.00 0.00 55.69 53.00 2g46 s MET 60 Cb 0.04 -1.66 0.11 0.00 2.84 0.00 0.00 34.83 36.16 2g46 s MET 60 CO 0.19 0.34 1.11 0.00 -0.65 0.00 0.00 175.02 176.00 2g46 s ALA 61 N -2.10 3.28 0.00 4.11 0.00 -1.01 -2.34 121.76 123.71 2g46 s ALA 61 Ca 0.23 -2.55 0.00 0.00 0.00 0.00 0.00 51.96 49.63 2g46 s ALA 61 Cb -0.06 -4.03 0.00 0.00 0.00 0.00 0.00 23.12 19.03 2g46 s ALA 61 CO 0.10 -2.97 0.95 -0.11 0.00 0.00 0.00 175.76 173.74 2g46 n LEU 62 N 6.90 0.00 0.00 0.00 0.00 -0.52 -4.11 117.00 119.27 2g46 n LEU 62 Ca 0.18 0.95 0.00 0.00 0.00 0.00 0.00 56.01 57.15 2g46 n LEU 62 Cb 0.48 -0.45 0.00 0.00 0.00 0.00 0.00 43.42 43.45 2g46 n LEU 62 CO 0.54 -0.45 0.00 0.61 0.00 0.00 0.00 177.39 178.09 2g46 n GLY 63 N -0.97 -2.77 2.18 -3.96 0.00 -1.17 -4.65 105.19 93.86 2g46 n GLY 63 Ca 0.00 -0.85 -0.19 0.00 0.00 0.00 0.00 46.02 44.98 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 0.94 0.12 1.61 3.01 -1.26 -4.33 117.46 117.55 2g46 n PHE 64 Ca 0.00 -1.73 0.08 0.00 1.01 0.00 0.00 57.45 56.81 2g46 n PHE 64 Cb 0.00 -1.34 0.02 0.00 -0.01 0.00 0.00 39.48 38.15 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 4.04 0.00 0.00 1.37 0.00 -1.83 -3.37 103.07 103.28 2g46 h GLY 65 Ca 0.28 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.46 2g46 h GLY 65 CO 0.58 0.00 -0.87 0.00 0.00 0.00 0.00 176.54 176.25 2g46 h ALA 66 N 1.79 0.17 -0.76 3.60 0.00 -1.75 -3.35 119.26 118.96 2g46 h ALA 66 Ca -0.04 -0.95 0.22 0.00 0.00 0.00 0.00 54.91 54.15 2g46 h ALA 66 Cb 1.19 0.54 -0.03 0.00 0.00 0.00 0.00 17.79 19.49 2g46 h ALA 66 CO 0.02 0.51 0.95 -0.84 0.00 0.00 0.00 179.25 179.89 2g46 h ILE 67 N -1.00 0.10 -3.44 0.00 -0.00 -1.81 -3.41 117.51 107.96 2g46 h ILE 67 Ca -0.23 0.00 -0.57 0.00 -0.00 0.00 0.00 64.86 64.06 2g46 h ILE 67 Cb 1.11 0.21 0.13 0.00 -0.00 0.00 0.00 36.82 38.27 2g46 h ILE 67 CO -0.14 0.00 0.42 0.49 -0.00 0.00 0.00 178.15 178.92 2g46 n PHE 68 N -3.32 1.93 -4.65 0.16 3.72 -1.26 -3.91 117.46 110.14 2g46 n PHE 68 Ca 0.16 0.52 -0.30 0.00 -0.05 0.00 0.00 57.45 57.78 2g46 n PHE 68 Cb 1.20 -2.35 -0.06 0.00 -0.94 0.00 0.00 39.48 37.33 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 0.26 3.27 -4.86 4.37 3.02 -1.26 -4.71 115.26 115.35 2g46 n ASN 69 Ca 0.07 -3.05 -0.28 0.00 -0.03 0.00 0.00 54.58 51.30 2g46 n ASN 69 Cb 0.39 0.31 -0.05 0.00 -0.61 0.00 0.00 39.78 39.82 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 -2.69 3.34 0.00 3.10 5.65 -1.24 0.11 115.29 123.56 2g46 s HIS 70 Ca 0.02 0.10 0.00 0.00 0.25 0.00 0.00 55.06 55.43 2g46 s HIS 70 Cb -0.00 -1.63 0.01 0.00 -1.18 0.00 0.00 32.58 29.77 2g46 s HIS 70 CO 0.01 0.53 0.64 0.45 -0.65 0.00 0.00 174.74 175.72 2g46 n SER 71 N -0.10 -0.18 -1.77 9.88 2.88 -1.26 -4.95 113.62 118.12 2g46 n SER 71 Ca -0.07 -1.27 -0.13 0.00 -1.33 0.00 0.00 58.87 56.07 2g46 n SER 71 Cb 0.53 0.04 -0.04 0.00 -0.75 0.00 0.00 64.21 64.00 2g46 n SER 71 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 2g46 n LYS 72 N 0.01 -1.61 -2.68 -1.46 3.00 -1.26 -4.72 118.16 109.44 2g46 n LYS 72 Ca -0.05 0.72 -0.05 0.00 -0.00 0.00 0.00 58.31 58.93 2g46 n LYS 72 Cb 0.56 -5.10 0.09 0.00 0.00 0.00 0.00 35.03 30.58 2g46 n LYS 72 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 2g46 n ASP 73 N -0.98 -1.47 -4.56 3.14 5.68 -1.26 -5.09 116.55 112.01 2g46 n ASP 73 Ca -0.14 -2.05 -0.26 0.00 -0.50 0.00 0.00 54.79 51.84 2g46 n ASP 73 Cb 0.50 1.02 -0.05 0.00 -1.14 0.00 0.00 41.12 41.45 2g46 n ASP 73 CO 0.00 0.00 0.00 -2.16 -1.33 0.00 0.00 177.20 173.71 2g46 s PRO 74 N 0.15 2.22 0.58 0.11 0.04 -1.26 -4.78 135.00 132.06 2g46 s PRO 74 Ca 0.25 0.36 0.30 0.00 0.04 0.00 0.00 61.00 61.95 2g46 s PRO 74 Cb 0.24 -4.78 1.80 0.00 0.04 0.00 0.00 34.50 31.80 2g46 s PRO 74 CO -0.13 -3.56 2.24 -0.91 0.04 0.00 0.00 177.00 174.68 2g46 h ASN 75 N 13.65 0.00 -3.36 6.66 2.35 -1.91 -3.40 115.58 129.57 2g46 h ASN 75 Ca -0.05 0.00 -0.53 0.00 -0.55 0.00 0.00 56.30 55.17 2g46 h ASN 75 Cb 1.07 0.00 -0.34 0.00 0.05 0.00 0.00 38.32 39.10 2g46 h ASN 75 CO 1.14 0.02 -0.82 0.00 -1.65 0.00 0.00 177.43 176.12 2g46 s ALA 76 N -4.55 1.36 0.21 -0.83 0.00 -1.26 -1.13 121.76 115.56 2g46 s ALA 76 Ca -0.05 -0.50 0.01 0.00 0.00 0.00 0.00 51.96 51.43 2g46 s ALA 76 Cb 0.15 -0.67 0.02 0.00 0.00 0.00 0.00 23.12 22.62 2g46 s ALA 76 CO 0.55 0.01 0.17 -2.13 0.00 0.00 0.00 175.76 174.35 2g46 n ARG 77 N 4.04 0.80 -4.34 0.00 3.00 0.25 -4.50 116.66 115.90 2g46 n ARG 77 Ca -0.21 -0.60 -0.25 0.00 -0.00 0.00 0.00 57.85 56.80 2g46 n ARG 77 Cb 0.51 -0.07 -0.09 0.00 0.00 0.00 0.00 32.46 32.82 2g46 n ARG 77 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.63 174.25 2g46 s HIS 78 N 0.09 2.56 -0.04 -0.14 -3.43 -1.26 -1.28 115.29 111.80 2g46 s HIS 78 Ca 0.12 -0.26 -0.00 0.00 -0.80 0.00 0.00 55.06 54.12 2g46 s HIS 78 Cb -0.01 -1.17 0.03 0.00 -1.43 0.00 0.00 32.58 30.00 2g46 s HIS 78 CO 0.08 0.61 0.02 -2.00 -2.00 0.00 0.00 174.74 171.44 2g46 s GLU 79 N -3.33 0.22 -0.16 -0.38 2.56 0.17 -4.85 118.70 112.93 2g46 s GLU 79 Ca 0.29 0.16 -0.06 0.00 0.00 0.00 0.00 54.97 55.36 2g46 s GLU 79 Cb -0.07 -0.53 -0.04 0.00 2.00 0.00 0.00 34.13 35.50 2g46 s GLU 79 CO 0.17 -0.21 0.03 -0.51 -0.56 0.00 0.00 175.26 174.19 2g46 s LEU 80 N 1.41 3.67 0.00 2.70 1.43 -1.26 -0.23 118.68 126.40 2g46 s LEU 80 Ca -0.04 0.05 0.00 0.00 -1.03 0.00 0.00 54.13 53.10 2g46 s LEU 80 Cb -0.13 -1.91 0.00 0.00 0.03 0.00 0.00 46.19 44.18 2g46 s LEU 80 CO -0.03 0.20 0.00 0.35 0.23 0.00 0.00 176.35 177.10 2g46 n THR 81 N 3.34 0.00 -2.11 5.49 -2.24 -1.16 -4.67 114.28 112.93 2g46 n THR 81 Ca -0.17 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.32 2g46 n THR 81 Cb 0.52 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.70 2g46 n THR 81 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2g46 s ALA 82 N -2.01 1.91 0.00 6.98 0.00 -1.26 -4.50 121.76 122.88 2g46 s ALA 82 Ca 0.00 -2.16 0.00 0.00 0.00 0.00 0.00 51.96 49.80 2g46 s ALA 82 Cb 0.00 -4.67 0.00 0.00 0.00 0.00 0.00 23.12 18.45 2g46 s ALA 82 CO 0.00 -5.06 0.00 0.41 0.00 0.00 0.00 175.76 171.11 2g46 n GLY 83 N 5.86 0.72 2.46 0.00 0.00 -1.26 -4.91 105.19 108.06 2g46 n GLY 83 Ca 0.45 -0.63 -0.04 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.23 -0.00 0.99 7.94 -1.26 -4.98 117.00 118.46 2g46 n LEU 84 Ca 0.00 -2.44 0.00 0.00 -1.11 0.00 0.00 56.01 52.46 2g46 n LEU 84 Cb 0.00 0.47 -0.01 0.00 0.53 0.00 0.00 43.42 44.42 2g46 n LEU 84 CO 0.00 1.46 -0.36 0.29 -1.11 0.00 0.00 177.39 177.67 2g46 n LYS 85 N -0.68 2.07 -4.24 1.96 5.02 -1.26 -4.55 118.16 116.48 2g46 n LYS 85 Ca -0.14 -0.01 -0.18 0.00 -2.02 0.00 0.00 58.31 55.97 2g46 n LYS 85 Cb 0.73 -0.87 -0.13 0.00 -0.02 0.00 0.00 35.03 34.74 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 -1.76 0.82 0.26 1.97 0.52 -1.26 -0.39 118.95 119.10 2g46 s ARG 86 Ca -0.00 -0.82 0.12 0.00 -0.52 0.00 0.00 55.73 54.51 2g46 s ARG 86 Cb 0.01 -0.80 -0.05 0.00 0.52 0.00 0.00 34.95 34.63 2g46 s ARG 86 CO 0.04 0.19 -0.21 -1.64 0.02 0.00 0.00 175.30 173.70 2g46 s MET 87 N -1.40 1.62 -0.17 3.54 -1.94 0.77 -2.99 119.30 118.73 2g46 s MET 87 Ca -0.01 -1.70 -0.04 0.00 -1.71 0.00 0.00 55.69 52.22 2g46 s MET 87 Cb -0.09 -1.76 0.09 0.00 2.01 0.00 0.00 34.83 35.08 2g46 s MET 87 CO 0.02 0.34 0.28 1.03 -0.01 0.00 0.00 175.02 176.68 2g46 s ARG 88 N -3.31 0.20 -0.31 2.03 0.52 0.67 -2.20 118.95 116.56 2g46 s ARG 88 Ca 0.27 0.58 -0.21 0.00 -0.52 0.00 0.00 55.73 55.85 2g46 s ARG 88 Cb -0.06 -0.41 -0.00 0.00 0.52 0.00 0.00 34.95 35.00 2g46 s ARG 88 CO 0.13 -0.45 0.69 0.42 0.02 0.00 0.00 175.30 176.12 2g46 s ILE 89 N 2.43 4.88 0.31 1.52 1.09 0.07 0.46 121.20 131.95 2g46 s ILE 89 Ca 0.05 0.96 0.07 0.00 -1.10 0.00 0.00 60.65 60.63 2g46 s ILE 89 Cb -0.14 -4.06 -0.03 0.00 -1.06 0.00 0.00 42.46 37.17 2g46 s ILE 89 CO -0.11 -0.19 0.25 -0.36 -0.10 0.00 0.00 174.94 174.42 2g46 s PHE 90 N 2.75 2.94 -0.77 3.97 0.08 -0.40 0.16 117.98 126.71 2g46 s PHE 90 Ca 0.28 -0.25 -0.07 0.00 0.12 0.00 0.00 56.93 57.01 2g46 s PHE 90 Cb -0.15 -1.66 0.20 0.00 -0.57 0.00 0.00 43.02 40.84 2g46 s PHE 90 CO 0.12 0.30 0.65 0.95 -0.10 0.00 0.00 175.22 177.14 2g46 s THR 91 N -2.27 4.59 0.63 0.64 -4.23 -1.26 -0.58 115.64 113.16 2g46 s THR 91 Ca 0.38 -2.99 0.30 0.00 -1.18 0.00 0.00 61.69 58.20 2g46 s THR 91 Cb -0.06 -3.89 0.35 0.00 1.34 0.00 0.00 72.50 70.24 2g46 s THR 91 CO 0.26 -0.98 1.99 0.16 -0.54 0.00 0.00 174.62 175.50 2g46 h ILE 92 N 4.80 0.20 -4.00 2.99 3.07 -1.43 -2.71 117.51 120.44 2g46 h ILE 92 Ca 0.07 0.00 -0.37 0.00 1.55 0.00 0.00 64.86 66.11 2g46 h ILE 92 Cb 0.95 0.72 -0.27 0.00 -0.27 0.00 0.00 36.82 37.95 2g46 h ILE 92 CO 0.77 0.00 -0.77 -0.54 -1.05 0.00 0.00 178.15 176.56 2g46 s LYS 93 N -4.36 0.67 0.14 0.16 1.02 -0.79 -4.77 119.74 111.82 2g46 s LYS 93 Ca -0.04 -0.43 -0.34 0.00 0.02 0.00 0.00 55.97 55.18 2g46 s LYS 93 Cb 0.12 -0.63 -0.14 0.00 -0.52 0.00 0.00 37.83 36.67 2g46 s LYS 93 CO 0.42 0.16 1.62 -2.30 -0.92 0.00 0.00 175.35 174.33 2g46 n PRO 94 N 2.52 2.20 -4.40 -1.68 -0.02 -1.20 -4.74 135.00 127.68 2g46 n PRO 94 Ca -0.15 0.79 -0.35 0.00 -2.02 0.00 0.00 63.50 61.77 2g46 n PRO 94 Cb 0.56 -2.58 -0.10 0.00 -0.02 0.00 0.00 33.50 31.37 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 1.25 4.19 0.52 4.25 1.01 -0.74 -4.98 121.20 126.71 2g46 s ILE 95 Ca 0.80 -0.29 -0.03 0.00 0.00 0.00 0.00 60.65 61.13 2g46 s ILE 95 Cb -0.67 -2.77 0.00 0.00 0.01 0.00 0.00 42.46 39.04 2g46 s ILE 95 CO 0.39 0.59 0.79 0.00 0.00 0.00 0.00 174.94 176.70 2g46 s ALA 96 N -0.69 3.53 -0.29 9.38 0.00 -1.26 -0.79 121.76 131.64 2g46 s ALA 96 Ca 0.11 -0.89 -0.29 0.00 0.00 0.00 0.00 51.96 50.90 2g46 s ALA 96 Cb -0.12 -2.37 -0.01 0.00 0.00 0.00 0.00 23.12 20.62 2g46 s ALA 96 CO 0.02 -0.60 1.59 0.42 0.00 0.00 0.00 175.76 177.19 2g46 s ILE 97 N -2.78 3.73 0.00 0.00 1.01 -0.75 -3.56 121.20 118.85 2g46 s ILE 97 Ca 0.51 0.79 0.00 0.00 0.00 0.00 0.00 60.65 61.95 2g46 s ILE 97 Cb -0.10 -3.84 0.00 0.00 0.01 0.00 0.00 42.46 38.53 2g46 s ILE 97 CO 0.42 -0.43 0.00 0.61 0.00 0.00 0.00 174.94 175.53 2g46 n GLY 98 N 4.90 0.99 2.46 6.18 0.00 -0.77 -4.94 105.19 114.00 2g46 n GLY 98 Ca 0.19 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.00 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 0.00 1.05 -4.62 1.61 -0.58 -1.08 -4.96 120.64 112.06 2g46 n GLU 99 Ca 0.00 -2.51 -0.30 0.00 -0.42 0.00 0.00 57.16 53.93 2g46 n GLU 99 Cb 0.00 0.82 -0.17 0.00 -0.57 0.00 0.00 31.44 31.52 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 -3.22 2.51 -0.14 3.49 2.12 -1.26 -0.24 118.70 121.96 2g46 s GLU 100 Ca 0.03 -0.67 -0.21 0.00 0.36 0.00 0.00 54.97 54.48 2g46 s GLU 100 Cb 0.00 -2.06 -0.03 0.00 0.26 0.00 0.00 34.13 32.30 2g46 s GLU 100 CO 0.02 -0.01 0.62 0.42 -0.54 0.00 0.00 175.26 175.78 2g46 s ILE 101 N 0.83 5.06 -0.15 -3.70 1.01 0.59 -4.80 121.20 120.04 2g46 s ILE 101 Ca -0.09 1.23 -0.21 0.00 0.00 0.00 0.00 60.65 61.58 2g46 s ILE 101 Cb -0.16 -3.95 0.05 0.00 0.01 0.00 0.00 42.46 38.41 2g46 s ILE 101 CO 0.00 0.19 0.54 0.42 0.00 0.00 0.00 174.94 176.10 2g46 s THR 102 N 1.32 0.01 0.08 2.92 -4.23 -1.26 -2.71 115.64 111.76 2g46 s THR 102 Ca 0.31 -0.07 0.08 0.00 -1.18 0.00 0.00 61.69 60.84 2g46 s THR 102 Cb -0.16 -0.79 -0.03 0.00 1.34 0.00 0.00 72.50 72.86 2g46 s THR 102 CO 0.13 -0.04 -0.22 0.27 -0.54 0.00 0.00 174.62 174.22 2g46 s ILE 103 N -0.19 1.79 0.00 2.99 -5.25 0.29 -4.17 121.20 116.67 2g46 s ILE 103 Ca -0.04 -1.43 0.00 0.00 -0.99 0.00 0.00 60.65 58.19 2g46 s ILE 103 Cb -0.03 -1.59 0.00 0.00 2.95 0.00 0.00 42.46 43.78 2g46 s ILE 103 CO 0.03 0.09 0.00 -0.24 -1.79 0.00 0.00 174.94 173.03 2g46 n SER 104 N 1.40 0.00 0.03 4.36 2.88 -1.25 -3.59 113.62 117.44 2g46 n SER 104 Ca -0.18 -0.64 0.00 0.00 -1.33 0.00 0.00 58.87 56.72 2g46 n SER 104 Cb 0.53 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.99 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 -1.11 -0.27 0.00 0.66 4.01 -1.26 -4.98 117.16 114.22 2g46 n TYR 105 Ca 0.00 0.05 0.00 0.00 -0.16 0.00 0.00 57.90 57.79 2g46 n TYR 105 Cb 0.00 0.12 0.00 0.00 -0.31 0.00 0.00 39.34 39.15 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 3.06 2.25 0.54 2.72 0.00 -1.25 -4.86 105.19 107.65 2g46 n GLY 106 Ca 0.00 -1.68 0.37 0.00 0.00 0.00 0.00 46.02 44.71 2g46 n GLY 106 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2g46 h ASP 107 N 0.00 0.03 -0.38 1.61 2.03 -1.91 0.63 116.42 118.43 2g46 h ASP 107 Ca 0.00 0.01 -0.09 0.00 -0.73 0.00 0.00 57.03 56.22 2g46 h ASP 107 Cb 0.00 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.49 2g46 h ASP 107 CO 0.00 0.00 -0.11 0.44 -1.03 0.00 0.00 179.24 178.55 2g46 h ASP 108 N 0.02 0.75 -3.58 4.15 5.19 -1.91 -3.40 116.42 117.66 2g46 h ASP 108 Ca 0.61 -0.37 -0.67 0.00 -0.62 0.00 0.00 57.03 55.98 2g46 h ASP 108 Cb 2.40 -0.21 -0.27 0.00 0.18 0.00 0.00 39.33 41.43 2g46 h ASP 108 CO -0.03 0.95 -0.65 -0.31 -3.12 0.00 0.00 179.24 176.08 2g46 s TYR 109 N -4.76 3.12 0.00 4.55 1.51 0.21 -4.89 117.35 117.09 2g46 s TYR 109 Ca -0.13 -1.04 0.00 0.00 -1.01 0.00 0.00 57.07 54.89 2g46 s TYR 109 Cb 0.10 -2.21 0.00 0.00 -0.11 0.00 0.00 41.96 39.74 2g46 s TYR 109 CO 0.81 -0.59 0.00 1.87 -1.11 0.00 0.00 175.55 176.54 2g46 n TRP 110 N 4.83 0.00 -0.86 2.71 -0.00 -1.26 -3.84 117.44 119.02 2g46 n TRP 110 Ca -0.15 0.00 -0.35 0.00 -0.00 0.00 0.00 57.50 57.00 2g46 n TRP 110 Cb 0.48 0.00 0.09 0.00 -0.00 0.00 0.00 31.31 31.88 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 -2.78 -3.60 5.87 7.94 -1.22 -4.92 117.00 118.28 2g46 n LEU 111 Ca 0.00 0.15 -0.08 0.00 -1.11 0.00 0.00 56.01 54.97 2g46 n LEU 111 Cb 0.00 -0.93 -0.09 0.00 0.53 0.00 0.00 43.42 42.94 2g46 n LEU 111 CO 0.00 -4.12 0.02 -0.94 -1.11 0.00 0.00 177.39 171.25 2g46 s SER 112 N -1.53 -0.23 -1.41 1.96 1.04 -1.26 -3.75 113.70 108.52 2g46 s SER 112 Ca 0.49 0.90 -0.01 0.00 0.48 0.00 0.00 55.95 57.80 2g46 s SER 112 Cb -0.14 1.36 0.00 0.00 0.10 0.00 0.00 66.02 67.34 2g46 s SER 112 CO 0.72 -0.24 0.40 -1.14 0.98 0.00 0.00 173.24 173.96 2g46 n ARG 113 N 5.39 -3.04 -2.56 4.02 3.00 -1.26 -4.90 116.66 117.30 2g46 n ARG 113 Ca -0.08 0.38 -0.36 0.00 -0.00 0.00 0.00 57.85 57.80 2g46 n ARG 113 Cb 0.50 -4.43 -0.04 0.00 0.00 0.00 0.00 32.46 28.48 2g46 n ARG 113 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 2g46 s PRO 114 N -6.60 4.11 0.00 -0.14 0.04 -1.26 -4.96 135.00 126.19 2g46 s PRO 114 Ca 0.02 1.46 0.00 0.00 0.04 0.00 0.00 61.00 62.52 2g46 s PRO 114 Cb -0.01 -2.45 0.00 0.00 0.04 0.00 0.00 34.50 32.09 2g46 s PRO 114 CO 0.90 -0.18 0.00 0.54 0.04 0.00 0.00 177.00 178.30 2g46 n ARG 115 N -0.25 0.16 -3.80 4.56 5.12 -1.26 -5.02 116.66 116.17 2g46 n ARG 115 Ca 0.06 0.00 -0.30 0.00 -1.93 0.00 0.00 57.85 55.68 2g46 n ARG 115 Cb 0.50 -0.79 0.00 0.00 -1.16 0.00 0.00 32.46 31.02 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 -2.03 -1.96 -4.24 0.55 4.32 -1.26 -4.95 117.00 107.43 2g46 n LEU 116 Ca 0.00 -0.70 -0.18 0.00 -0.02 0.00 0.00 56.01 55.11 2g46 n LEU 116 Cb 0.29 -2.28 -0.11 0.00 -1.62 0.00 0.00 43.42 39.69 2g46 n LEU 116 CO 0.00 0.30 -0.45 -0.89 -1.22 0.00 0.00 177.39 175.13 2g46 s THR 117 N -3.16 1.35 -0.01 -5.08 2.01 -1.26 -5.15 115.64 104.34 2g46 s THR 117 Ca 0.59 -1.69 0.06 0.00 0.31 0.00 0.00 61.69 60.96 2g46 s THR 117 Cb -0.31 -1.52 -0.01 0.00 0.01 0.00 0.00 72.50 70.67 2g46 s THR 117 CO 0.73 -0.38 -0.18 -1.58 -0.69 0.00 0.00 174.62 172.52 2g46 s GLN 118 N -2.58 1.44 0.00 4.92 -0.44 -1.26 -5.29 119.66 116.45 2g46 s GLN 118 Ca 0.08 -0.66 0.00 0.00 -2.50 0.00 0.00 55.36 52.29 2g46 s GLN 118 Cb -0.05 -1.40 0.00 0.00 -1.64 0.00 0.00 33.01 29.91 2g46 s GLN 118 CO 0.03 0.38 0.00 0.27 0.50 0.00 0.00 175.29 176.47