#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 1.25 -0.47 1.12 -0.71 -1.26 -2.25 117.98 115.66 2g46 s PHE 2 Ca 0.00 -0.35 0.03 0.00 -1.04 0.00 0.00 56.93 55.57 2g46 s PHE 2 Cb 0.00 -0.88 0.45 0.00 -1.21 0.00 0.00 43.02 41.38 2g46 s PHE 2 CO 0.00 -0.14 1.56 0.09 -1.34 0.00 0.00 175.22 175.39 2g46 n ASN 3 N 3.31 6.14 0.00 1.98 3.02 0.94 -4.99 115.26 125.66 2g46 n ASN 3 Ca -0.19 -3.77 0.00 0.00 -0.03 0.00 0.00 54.58 50.59 2g46 n ASN 3 Cb 0.53 -0.63 0.00 0.00 -0.61 0.00 0.00 39.78 39.08 2g46 n ASN 3 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2g46 n ASP 4 N -0.78 0.00 -0.33 6.41 8.00 -1.26 -2.60 116.55 125.99 2g46 n ASP 4 Ca 0.52 0.00 0.13 0.00 0.71 0.00 0.00 54.79 56.15 2g46 n ASP 4 Cb 0.81 0.00 0.35 0.00 -0.02 0.00 0.00 41.12 42.26 2g46 n ASP 4 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 2g46 h ARG 5 N 0.00 0.71 -4.51 -1.24 3.08 -1.97 -3.41 114.38 107.03 2g46 h ARG 5 Ca 0.00 -0.04 -0.32 0.00 0.07 0.00 0.00 59.98 59.68 2g46 h ARG 5 Cb 0.00 -0.16 -0.26 0.00 0.08 0.00 0.00 29.97 29.63 2g46 h ARG 5 CO 0.00 0.47 -0.75 0.08 -1.07 0.00 0.00 179.97 178.70 2g46 s VAL 6 N -5.78 0.54 0.35 2.04 1.01 -1.07 -3.76 120.40 113.73 2g46 s VAL 6 Ca -0.11 -0.59 0.09 0.00 0.00 0.00 0.00 61.98 61.38 2g46 s VAL 6 Cb 0.24 -0.51 -0.06 0.00 0.00 0.00 0.00 36.38 36.04 2g46 s VAL 6 CO 0.80 -0.05 -0.08 -0.51 0.00 0.00 0.00 175.10 175.26 2g46 s ILE 7 N -0.61 2.26 -0.21 2.22 2.07 -1.11 -0.04 121.20 125.78 2g46 s ILE 7 Ca -0.02 -2.16 -0.10 0.00 -1.41 0.00 0.00 60.65 56.96 2g46 s ILE 7 Cb -0.05 -2.69 -0.05 0.00 0.13 0.00 0.00 42.46 39.80 2g46 s ILE 7 CO 0.00 -0.18 0.13 -0.69 -1.91 0.00 0.00 174.94 172.29 2g46 s VAL 8 N -2.61 5.37 -0.05 4.00 1.01 -0.95 -1.63 120.40 125.54 2g46 s VAL 8 Ca 0.33 0.18 -0.05 0.00 0.00 0.00 0.00 61.98 62.44 2g46 s VAL 8 Cb 0.03 -3.47 0.01 0.00 0.00 0.00 0.00 36.38 32.96 2g46 s VAL 8 CO 0.17 0.42 0.13 -0.54 0.00 0.00 0.00 175.10 175.28 2g46 s LYS 9 N 0.54 0.15 -1.22 2.72 1.02 -1.07 -4.80 119.74 117.08 2g46 s LYS 9 Ca 0.08 0.18 -0.09 0.00 0.02 0.00 0.00 55.97 56.16 2g46 s LYS 9 Cb -0.12 0.07 -0.01 0.00 -0.52 0.00 0.00 37.83 37.25 2g46 s LYS 9 CO -0.00 -0.02 0.74 1.17 -0.92 0.00 0.00 175.35 176.32 2g46 n LYS 10 N 3.01 -3.00 -3.60 1.68 0.00 0.42 0.11 118.16 116.77 2g46 n LYS 10 Ca -0.12 0.57 -0.24 0.00 0.00 0.00 0.00 58.31 58.52 2g46 n LYS 10 Cb 0.59 -4.82 0.01 0.00 0.00 0.00 0.00 35.03 30.81 2g46 n LYS 10 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 2g46 s SER 11 N -3.90 4.83 0.66 3.14 0.15 -1.26 -4.92 113.70 112.40 2g46 s SER 11 Ca 0.24 -1.05 0.33 0.00 0.70 0.00 0.00 55.95 56.17 2g46 s SER 11 Cb -0.07 0.21 1.82 0.00 -1.71 0.00 0.00 66.02 66.28 2g46 s SER 11 CO 0.83 -1.09 2.05 -0.65 1.20 0.00 0.00 173.24 175.58 2g46 h PRO 12 N 0.65 0.00 0.00 5.44 0.11 -1.99 -1.63 132.00 134.58 2g46 h PRO 12 Ca -0.36 0.00 -0.38 0.00 0.11 0.00 0.00 66.00 65.37 2g46 h PRO 12 Cb 1.29 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 32.33 2g46 h PRO 12 CO 0.53 0.00 -2.42 1.28 -0.21 0.00 0.00 178.00 177.18 2g46 n LEU 13 N -3.06 1.55 0.00 2.35 7.99 -1.26 -5.11 117.00 119.45 2g46 n LEU 13 Ca -0.01 -0.06 0.00 0.00 -0.01 0.00 0.00 56.01 55.92 2g46 n LEU 13 Cb 0.31 -0.24 0.00 0.00 -0.11 0.00 0.00 43.42 43.39 2g46 n LEU 13 CO 0.17 0.73 0.00 0.61 -1.51 0.00 0.00 177.39 177.39 2g46 n GLY 14 N 2.01 2.42 0.12 -0.72 0.00 -0.61 -5.12 105.19 103.28 2g46 n GLY 14 Ca -0.39 -2.10 0.00 0.00 0.00 0.00 0.00 46.02 43.53 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 -1.19 0.33 2.57 -0.02 0.00 -1.26 -4.36 105.19 101.26 2g46 n GLY 15 Ca 0.00 -1.06 -0.41 0.00 0.00 0.00 0.00 46.02 44.55 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 2.46 2.77 -2.87 1.61 4.19 -1.22 0.16 117.16 124.26 2g46 n TYR 16 Ca 0.00 -2.90 0.00 0.00 3.31 0.00 0.00 57.90 58.31 2g46 n TYR 16 Cb 0.00 -2.12 0.00 0.00 0.49 0.00 0.00 39.34 37.71 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 2.77 2.75 3.70 2.98 0.00 0.30 -4.45 105.19 113.23 2g46 n GLY 17 Ca 0.59 -2.11 -0.36 0.00 0.00 0.00 0.00 46.02 44.14 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 0.98 5.33 -0.15 1.61 1.01 -1.08 -2.60 120.40 125.49 2g46 s VAL 18 Ca 0.00 0.38 -0.20 0.00 0.00 0.00 0.00 61.98 62.17 2g46 s VAL 18 Cb 0.00 -3.57 -0.03 0.00 0.00 0.00 0.00 36.38 32.77 2g46 s VAL 18 CO 0.00 0.37 0.55 0.12 0.00 0.00 0.00 175.10 176.14 2g46 s PHE 19 N 0.73 3.45 -0.91 5.22 5.36 -0.64 0.43 117.98 131.62 2g46 s PHE 19 Ca 0.12 0.91 -0.19 0.00 -0.96 0.00 0.00 56.93 56.81 2g46 s PHE 19 Cb -0.13 -2.67 0.12 0.00 -0.34 0.00 0.00 43.02 40.00 2g46 s PHE 19 CO 0.03 0.01 1.12 0.00 -1.46 0.00 0.00 175.22 174.91 2g46 s ALA 20 N 1.22 3.33 0.20 11.12 0.00 0.98 -2.74 121.76 135.86 2g46 s ALA 20 Ca 0.28 -2.68 0.30 0.00 0.00 0.00 0.00 51.96 49.86 2g46 s ALA 20 Cb -0.16 -4.04 1.29 0.00 0.00 0.00 0.00 23.12 20.21 2g46 s ALA 20 CO 0.11 -2.98 1.97 -0.09 0.00 0.00 0.00 175.76 174.77 2g46 h ARG 21 N 8.92 0.00 0.00 0.00 2.43 -1.67 -3.01 114.38 121.05 2g46 h ARG 21 Ca 0.12 0.00 -0.39 0.00 -0.81 0.00 0.00 59.98 58.90 2g46 h ARG 21 Cb 1.03 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.57 2g46 h ARG 21 CO 1.12 0.10 -0.13 1.63 -1.51 0.00 0.00 179.97 181.18 2g46 n LYS 22 N -3.28 0.81 0.00 0.20 5.02 -1.25 -4.13 118.16 115.54 2g46 n LYS 22 Ca -0.00 -2.42 0.00 0.00 -2.02 0.00 0.00 58.31 53.87 2g46 n LYS 22 Cb 0.32 0.07 0.00 0.00 -0.02 0.00 0.00 35.03 35.40 2g46 n LYS 22 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 2g46 n SER 23 N -2.16 0.00 -4.34 4.39 7.64 0.42 -2.48 113.62 117.09 2g46 n SER 23 Ca 0.05 0.00 -0.18 0.00 1.01 0.00 0.00 58.87 59.74 2g46 n SER 23 Cb 0.45 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.55 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 1.67 0.00 1.43 0.08 -1.08 -4.94 117.98 113.15 2g46 s PHE 24 Ca 0.00 -0.62 0.00 0.00 0.12 0.00 0.00 56.93 56.43 2g46 s PHE 24 Cb 0.00 -0.81 0.00 0.00 -0.57 0.00 0.00 43.02 41.64 2g46 s PHE 24 CO 0.00 0.30 0.00 -1.91 -0.10 0.00 0.00 175.22 173.51 2g46 n GLU 25 N -0.38 3.28 -3.39 0.44 2.13 -1.26 -2.06 120.64 119.40 2g46 n GLU 25 Ca -0.08 0.00 -0.44 0.00 0.66 0.00 0.00 57.16 57.30 2g46 n GLU 25 Cb 0.61 0.00 -0.06 0.00 0.27 0.00 0.00 31.44 32.26 2g46 n GLU 25 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 2g46 s LYS 26 N 2.47 2.89 0.00 5.31 2.20 -1.26 -2.91 119.74 128.43 2g46 s LYS 26 Ca 0.00 -1.81 0.00 0.00 -0.36 0.00 0.00 55.97 53.80 2g46 s LYS 26 Cb 0.00 -4.19 0.00 0.00 -1.51 0.00 0.00 37.83 32.13 2g46 s LYS 26 CO 0.00 -1.29 0.00 0.41 -0.36 0.00 0.00 175.35 174.11 2g46 n GLY 27 N 5.01 1.55 3.41 5.54 0.00 -1.10 -5.00 105.19 114.59 2g46 n GLY 27 Ca -0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.61 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 2.19 0.11 1.61 2.02 -1.26 -4.94 118.70 118.42 2g46 s GLU 28 Ca 0.00 -0.89 -0.26 0.00 0.02 0.00 0.00 54.97 53.84 2g46 s GLU 28 Cb 0.00 -2.18 -0.07 0.00 0.10 0.00 0.00 34.13 31.99 2g46 s GLU 28 CO 0.00 0.57 0.80 -1.17 0.02 0.00 0.00 175.26 175.48 2g46 s LEU 29 N -0.94 4.52 -0.12 1.80 2.96 -1.26 -1.43 118.68 124.21 2g46 s LEU 29 Ca 0.12 1.59 -0.09 0.00 -0.22 0.00 0.00 54.13 55.53 2g46 s LEU 29 Cb -0.10 -3.31 -0.03 0.00 0.50 0.00 0.00 46.19 43.25 2g46 s LEU 29 CO 0.01 0.09 -0.17 0.52 -1.32 0.00 0.00 176.35 175.49 2g46 n VAL 30 N 2.27 1.11 -3.55 1.68 0.31 0.32 -4.95 118.33 115.51 2g46 n VAL 30 Ca -0.03 0.27 -0.17 0.00 -0.01 0.00 0.00 64.34 64.39 2g46 n VAL 30 Cb 0.49 -2.18 -0.06 0.00 -0.91 0.00 0.00 33.84 31.18 2g46 n VAL 30 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 2g46 s GLU 31 N -2.07 1.01 -0.02 5.55 -1.05 -1.24 -4.97 118.70 115.90 2g46 s GLU 31 Ca -0.14 0.28 0.03 0.00 -0.15 0.00 0.00 54.97 54.99 2g46 s GLU 31 Cb 0.02 0.47 -0.00 0.00 -0.44 0.00 0.00 34.13 34.18 2g46 s GLU 31 CO 0.21 -0.30 -0.10 -2.00 0.95 0.00 0.00 175.26 174.01 2g46 s GLU 32 N -1.08 0.97 0.33 -4.83 2.12 -1.26 -2.13 118.70 112.81 2g46 s GLU 32 Ca -0.10 -0.37 0.07 0.00 0.36 0.00 0.00 54.97 54.93 2g46 s GLU 32 Cb -0.01 -0.91 -0.03 0.00 0.26 0.00 0.00 34.13 33.44 2g46 s GLU 32 CO 0.09 0.18 0.28 0.00 -0.54 0.00 0.00 175.26 175.27 2g46 s LEU 34 N -3.36 3.22 0.20 0.00 1.02 -1.26 -0.32 118.68 118.18 2g46 s LEU 34 Ca 0.40 0.11 -0.07 0.00 0.02 0.00 0.00 54.13 54.59 2g46 s LEU 34 Cb 0.02 -2.95 -0.02 0.00 0.02 0.00 0.00 46.19 43.27 2g46 s LEU 34 CO 0.27 -1.19 0.27 0.00 0.02 0.00 0.00 176.35 175.72 2g46 s ILE 36 N -4.06 4.22 -0.13 0.00 1.01 -1.09 -4.56 121.20 116.59 2g46 s ILE 36 Ca 0.27 -0.75 -0.04 0.00 0.00 0.00 0.00 60.65 60.14 2g46 s ILE 36 Cb 0.04 -3.51 0.06 0.00 0.01 0.00 0.00 42.46 39.06 2g46 s ILE 36 CO 0.07 -0.27 0.17 -0.69 0.00 0.00 0.00 174.94 174.22 2g46 s VAL 37 N -2.33 -0.26 -0.05 2.92 1.01 -1.26 -1.90 120.40 118.54 2g46 s VAL 37 Ca 0.45 0.15 -0.06 0.00 0.00 0.00 0.00 61.98 62.52 2g46 s VAL 37 Cb -0.10 -0.45 0.01 0.00 0.00 0.00 0.00 36.38 35.85 2g46 s VAL 37 CO 0.34 -0.01 0.16 -0.13 0.00 0.00 0.00 175.10 175.46 2g46 s ARG 38 N 2.29 0.27 0.00 2.72 1.81 0.75 -4.95 118.95 121.83 2g46 s ARG 38 Ca 0.04 0.07 0.00 0.00 -1.72 0.00 0.00 55.73 54.12 2g46 s ARG 38 Cb -0.14 0.12 0.00 0.00 -0.45 0.00 0.00 34.95 34.49 2g46 s ARG 38 CO -0.08 -0.05 0.00 0.72 -0.68 0.00 0.00 175.30 175.21 2g46 n HIS 39 N 2.60 -1.46 -3.52 -0.53 8.25 -1.26 -0.32 115.22 118.99 2g46 n HIS 39 Ca -0.15 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 56.92 2g46 n HIS 39 Cb 0.58 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.59 2g46 n HIS 39 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 2g46 s ASN 40 N -1.91 6.10 0.00 0.41 2.47 -1.26 -4.30 114.94 116.45 2g46 s ASN 40 Ca 0.00 0.07 0.00 0.00 0.42 0.00 0.00 52.86 53.35 2g46 s ASN 40 Cb 0.00 -2.15 0.00 0.00 -1.45 0.00 0.00 41.25 37.65 2g46 s ASN 40 CO 0.00 -0.11 0.00 -0.67 -3.72 0.00 0.00 177.10 172.60 2g46 n ASP 41 N 5.16 0.55 -0.26 -4.21 -0.08 -1.26 -4.87 116.55 111.58 2g46 n ASP 41 Ca -0.12 0.00 0.19 0.00 -1.51 0.00 0.00 54.79 53.35 2g46 n ASP 41 Cb 0.51 0.00 0.50 0.00 2.34 0.00 0.00 41.12 44.47 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 0.44 -0.36 1.67 5.19 -2.00 1.22 116.42 122.58 2g46 h ASP 42 Ca 0.00 0.05 -0.04 0.00 -0.62 0.00 0.00 57.03 56.42 2g46 h ASP 42 Cb 0.00 -0.03 -0.02 0.00 0.18 0.00 0.00 39.33 39.46 2g46 h ASP 42 CO 0.00 0.17 0.11 -0.25 -3.12 0.00 0.00 179.24 176.14 2g46 h TRP 43 N 0.44 0.66 0.33 4.55 2.91 -1.93 0.19 115.95 123.10 2g46 h TRP 43 Ca 0.49 -0.05 -0.01 0.00 1.13 0.00 0.00 58.89 60.45 2g46 h TRP 43 Cb 1.19 -0.20 -0.00 0.00 -0.51 0.00 0.00 29.16 29.64 2g46 h TRP 43 CO -0.00 0.56 -0.20 0.78 -1.03 0.00 0.00 178.44 178.56 2g46 h GLY 44 N 0.85 -0.70 1.36 2.65 0.00 0.13 0.27 103.07 107.63 2g46 h GLY 44 Ca 0.15 0.29 -0.10 0.00 0.00 0.00 0.00 47.33 47.66 2g46 h GLY 44 CO -0.00 -0.24 -0.16 -0.84 0.00 0.00 0.00 176.54 175.29 2g46 h THR 45 N -0.49 1.26 0.75 4.70 2.02 -1.47 1.14 112.91 120.83 2g46 h THR 45 Ca -0.04 -1.23 -0.04 0.00 0.77 0.00 0.00 66.41 65.87 2g46 h THR 45 Cb 0.39 1.12 0.01 0.00 -1.74 0.00 0.00 68.15 67.93 2g46 h THR 45 CO 0.05 0.41 -0.36 0.00 0.37 0.00 0.00 175.52 175.99 2g46 h ALA 46 N 1.16 -1.26 -0.64 6.16 0.00 -0.59 -2.84 119.26 121.24 2g46 h ALA 46 Ca 0.11 -0.22 -0.40 0.00 0.00 0.00 0.00 54.91 54.40 2g46 h ALA 46 Cb 0.64 0.39 -0.19 0.00 0.00 0.00 0.00 17.79 18.63 2g46 h ALA 46 CO 0.04 -1.19 0.51 1.28 0.00 0.00 0.00 179.25 179.90 2g46 n LEU 47 N -4.73 6.33 0.00 0.00 7.99 0.93 -4.52 117.00 123.00 2g46 n LEU 47 Ca -0.13 -3.33 0.09 0.00 -0.01 0.00 0.00 56.01 52.63 2g46 n LEU 47 Cb 0.40 -0.92 0.51 0.00 -0.11 0.00 0.00 43.42 43.30 2g46 n LEU 47 CO 0.30 1.14 0.73 1.21 -1.51 0.00 0.00 177.39 179.27 2g46 n GLU 48 N -0.24 0.50 -4.35 3.23 2.13 0.39 -4.26 120.64 118.05 2g46 n GLU 48 Ca 0.40 0.02 -0.29 0.00 0.66 0.00 0.00 57.16 57.95 2g46 n GLU 48 Cb 0.84 -1.50 -0.12 0.00 0.27 0.00 0.00 31.44 30.93 2g46 n GLU 48 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 2g46 s ASP 49 N -2.10 3.61 -1.61 4.31 -1.08 -1.26 -4.59 116.67 113.94 2g46 s ASP 49 Ca 0.25 -0.66 0.00 0.00 -0.52 0.00 0.00 52.55 51.62 2g46 s ASP 49 Cb 0.12 -0.38 0.00 0.00 -1.46 0.00 0.00 42.92 41.20 2g46 s ASP 49 CO 0.22 0.18 0.00 -1.22 0.52 0.00 0.00 175.17 174.86 2g46 n TYR 50 N 0.83 -1.04 -4.60 -5.34 4.01 -1.26 -4.95 117.16 104.81 2g46 n TYR 50 Ca -0.17 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.35 2g46 n TYR 50 Cb 0.53 -3.59 -0.15 0.00 -0.31 0.00 0.00 39.34 35.82 2g46 n TYR 50 CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 2g46 s LEU 51 N -5.79 1.95 0.41 7.72 2.96 -1.26 -2.82 118.68 121.85 2g46 s LEU 51 Ca 0.00 -0.25 -0.00 0.00 -0.22 0.00 0.00 54.13 53.66 2g46 s LEU 51 Cb 0.00 -0.71 -0.02 0.00 0.50 0.00 0.00 46.19 45.97 2g46 s LEU 51 CO 0.00 0.14 0.64 -0.36 -1.32 0.00 0.00 176.35 175.45 2g46 s PHE 52 N -0.12 3.37 -0.13 5.38 0.08 0.13 -4.91 117.98 121.77 2g46 s PHE 52 Ca 0.02 0.35 -0.03 0.00 0.12 0.00 0.00 56.93 57.38 2g46 s PHE 52 Cb -0.07 -2.15 0.05 0.00 -0.57 0.00 0.00 43.02 40.28 2g46 s PHE 52 CO 0.00 -0.16 0.06 -1.54 -0.10 0.00 0.00 175.22 173.48 2g46 s SER 53 N -4.13 2.05 0.63 1.36 1.04 -1.26 -0.89 113.70 112.49 2g46 s SER 53 Ca 0.45 -0.41 0.08 0.00 0.48 0.00 0.00 55.95 56.55 2g46 s SER 53 Cb -0.10 -0.30 0.11 0.00 0.10 0.00 0.00 66.02 65.83 2g46 s SER 53 CO 0.38 -0.30 0.87 -0.60 0.98 0.00 0.00 173.24 174.57 2g46 s ARG 54 N 2.08 2.09 -1.08 4.02 3.52 -0.23 -4.97 118.95 124.39 2g46 s ARG 54 Ca 0.03 -1.62 -0.20 0.00 -0.13 0.00 0.00 55.73 53.81 2g46 s ARG 54 Cb -0.15 -2.57 0.09 0.00 -1.56 0.00 0.00 34.95 30.76 2g46 s ARG 54 CO -0.07 -1.07 1.42 0.15 -0.81 0.00 0.00 175.30 174.92 2g46 s LYS 55 N -4.81 3.74 0.00 5.12 1.02 -1.26 -2.79 119.74 120.76 2g46 s LYS 55 Ca 0.64 -1.64 0.00 0.00 0.02 0.00 0.00 55.97 54.98 2g46 s LYS 55 Cb -0.05 -5.25 0.00 0.00 -0.52 0.00 0.00 37.83 32.02 2g46 s LYS 55 CO 0.41 -2.05 0.00 0.09 -0.92 0.00 0.00 175.35 172.88 2g46 n ASN 56 N 7.79 0.00 0.00 2.83 3.02 -1.26 -5.12 115.26 122.52 2g46 n ASN 56 Ca 0.34 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.89 2g46 n ASN 56 Cb 0.48 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.65 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 -4.20 3.52 0.00 -1.12 -4.79 117.12 110.54 2g46 n MET 57 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 57.70 57.58 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 -1.12 0.00 0.00 0.00 175.97 174.85 2g46 s SER 58 N 2.00 0.19 -0.02 3.17 0.01 0.57 -1.06 113.70 118.56 2g46 s SER 58 Ca 0.00 -1.37 -0.15 0.00 1.31 0.00 0.00 55.95 55.74 2g46 s SER 58 Cb 0.00 0.37 0.03 0.00 0.21 0.00 0.00 66.02 66.62 2g46 s SER 58 CO 0.00 -0.83 0.32 0.00 0.41 0.00 0.00 173.24 173.15 2g46 s ALA 59 N -4.14 -0.82 0.29 1.44 0.00 -0.07 -0.18 121.76 118.29 2g46 s ALA 59 Ca 0.37 0.40 -0.02 0.00 0.00 0.00 0.00 51.96 52.72 2g46 s ALA 59 Cb 0.07 0.03 -0.04 0.00 0.00 0.00 0.00 23.12 23.18 2g46 s ALA 59 CO 0.11 -0.26 0.51 1.41 0.00 0.00 0.00 175.76 177.53 2g46 s MET 60 N -1.22 3.54 -0.94 0.00 1.75 -0.80 0.17 119.30 121.81 2g46 s MET 60 Ca -0.13 -0.22 -0.20 0.00 -1.25 0.00 0.00 55.69 53.90 2g46 s MET 60 Cb -0.05 -2.70 0.11 0.00 2.84 0.00 0.00 34.83 35.03 2g46 s MET 60 CO 0.04 0.23 1.20 0.00 -0.65 0.00 0.00 175.02 175.84 2g46 s ALA 61 N -2.12 3.19 0.00 4.11 0.00 -1.13 -2.66 121.76 123.16 2g46 s ALA 61 Ca 0.41 -2.60 0.00 0.00 0.00 0.00 0.00 51.96 49.77 2g46 s ALA 61 Cb -0.10 -4.16 0.00 0.00 0.00 0.00 0.00 23.12 18.86 2g46 s ALA 61 CO 0.32 -3.13 0.81 1.47 0.00 0.00 0.00 175.76 175.24 2g46 n LEU 62 N 7.18 0.00 0.00 0.00 -0.00 -1.10 -4.14 117.00 118.94 2g46 n LEU 62 Ca 0.25 0.81 0.00 0.00 -0.00 0.00 0.00 56.01 57.07 2g46 n LEU 62 Cb 0.49 -0.31 0.00 0.00 -0.00 0.00 0.00 43.42 43.60 2g46 n LEU 62 CO 0.55 -0.31 0.00 0.61 -0.00 0.00 0.00 177.39 178.23 2g46 n GLY 63 N -0.86 -2.62 2.22 1.47 0.00 -1.19 -4.62 105.19 99.60 2g46 n GLY 63 Ca 0.00 -0.80 -0.22 0.00 0.00 0.00 0.00 46.02 45.00 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 0.95 0.00 1.61 3.72 -1.26 -4.30 117.46 118.18 2g46 n PHE 64 Ca 0.00 -1.90 -0.04 0.00 -0.05 0.00 0.00 57.45 55.46 2g46 n PHE 64 Cb 0.00 -1.64 -0.11 0.00 -0.94 0.00 0.00 39.48 36.79 2g46 n PHE 64 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2g46 n GLY 65 N 2.03 -1.10 0.11 1.37 0.00 -1.26 -4.15 105.19 102.19 2g46 n GLY 65 Ca 0.50 -0.09 -0.21 0.00 0.00 0.00 0.00 46.02 46.22 2g46 n GLY 65 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2g46 h ALA 66 N 1.22 0.25 -0.51 4.61 0.00 -1.75 -3.34 119.26 119.74 2g46 h ALA 66 Ca -0.23 -1.16 0.15 0.00 0.00 0.00 0.00 54.91 53.67 2g46 h ALA 66 Cb 1.80 0.63 -0.02 0.00 0.00 0.00 0.00 17.79 20.19 2g46 h ALA 66 CO 0.06 0.76 0.71 -0.84 0.00 0.00 0.00 179.25 179.94 2g46 h ILE 67 N -0.71 0.17 -1.63 0.00 -0.00 -1.81 -3.41 117.51 110.12 2g46 h ILE 67 Ca -0.32 0.00 -0.72 0.00 -0.00 0.00 0.00 64.86 63.82 2g46 h ILE 67 Cb 1.47 0.40 0.02 0.00 -0.00 0.00 0.00 36.82 38.71 2g46 h ILE 67 CO -0.10 0.00 0.93 0.49 -0.00 0.00 0.00 178.15 179.47 2g46 n PHE 68 N -3.35 2.10 -2.77 0.16 3.72 -1.25 -3.95 117.46 112.12 2g46 n PHE 68 Ca 0.10 0.45 -0.21 0.00 -0.05 0.00 0.00 57.45 57.74 2g46 n PHE 68 Cb 0.90 -2.49 0.07 0.00 -0.94 0.00 0.00 39.48 37.02 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 3.62 4.87 -0.06 4.37 0.01 -1.26 -4.83 114.94 121.65 2g46 s ASN 69 Ca 0.97 -0.44 -0.12 0.00 -0.71 0.00 0.00 52.86 52.56 2g46 s ASN 69 Cb -1.01 -0.15 -0.05 0.00 0.41 0.00 0.00 41.25 40.45 2g46 s ASN 69 CO 0.63 -1.47 0.30 -2.28 -1.51 0.00 0.00 177.10 172.77 2g46 s HIS 70 N -2.86 3.66 0.10 2.20 2.46 -1.26 -3.41 115.29 116.18 2g46 s HIS 70 Ca 0.62 0.79 -0.05 0.00 0.47 0.00 0.00 55.06 56.89 2g46 s HIS 70 Cb -0.07 -2.17 -0.02 0.00 -0.13 0.00 0.00 32.58 30.19 2g46 s HIS 70 CO 0.41 0.64 0.11 0.45 -2.47 0.00 0.00 174.74 173.88 2g46 s SER 71 N -0.91 0.25 0.02 9.88 0.15 -1.26 -5.04 113.70 116.79 2g46 s SER 71 Ca 0.20 -0.89 -0.00 0.00 0.70 0.00 0.00 55.95 55.96 2g46 s SER 71 Cb -0.15 0.30 -0.26 0.00 -1.71 0.00 0.00 66.02 64.21 2g46 s SER 71 CO 0.09 -0.72 0.92 0.50 1.20 0.00 0.00 173.24 175.23 2g46 h LYS 72 N 2.86 0.19 -2.07 5.44 1.63 -2.02 -3.38 116.57 119.22 2g46 h LYS 72 Ca -0.34 -0.33 -0.56 0.00 -0.85 0.00 0.00 60.65 58.58 2g46 h LYS 72 Cb 1.19 0.12 -0.41 0.00 -0.60 0.00 0.00 32.23 32.52 2g46 h LYS 72 CO 0.58 1.04 -0.80 -0.25 -3.45 0.00 0.00 179.45 176.58 2g46 n ASP 73 N -3.40 3.57 -4.64 4.20 9.92 -1.26 -5.05 116.55 119.89 2g46 n ASP 73 Ca -0.14 -3.50 -0.43 0.00 -0.53 0.00 0.00 54.79 50.20 2g46 n ASP 73 Cb 1.03 -0.56 -0.02 0.00 -0.64 0.00 0.00 41.12 40.92 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 -3.24 3.88 -0.10 -0.24 0.04 -1.26 -4.87 135.00 129.21 2g46 s PRO 74 Ca 0.46 1.70 0.07 0.00 0.04 0.00 0.00 61.00 63.27 2g46 s PRO 74 Cb 0.32 -4.00 0.39 0.00 0.04 0.00 0.00 34.50 31.25 2g46 s PRO 74 CO -0.12 -1.19 1.13 0.09 0.04 0.00 0.00 177.00 176.94 2g46 n ASN 75 N 8.12 3.15 -4.41 6.66 3.02 -1.26 -4.87 115.26 125.66 2g46 n ASN 75 Ca 0.18 -2.40 -0.22 0.00 -0.03 0.00 0.00 54.58 52.11 2g46 n ASN 75 Cb 0.45 -0.55 -0.10 0.00 -0.61 0.00 0.00 39.78 38.97 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 -1.82 2.43 0.21 5.41 0.00 -1.25 -1.00 121.76 125.75 2g46 s ALA 76 Ca 0.26 -1.75 -0.07 0.00 0.00 0.00 0.00 51.96 50.41 2g46 s ALA 76 Cb 0.19 -0.21 -0.02 0.00 0.00 0.00 0.00 23.12 23.09 2g46 s ALA 76 CO 0.09 0.23 0.29 0.50 0.00 0.00 0.00 175.76 176.86 2g46 s ARG 77 N -3.40 1.33 -0.06 0.00 6.06 0.36 -4.56 118.95 118.68 2g46 s ARG 77 Ca 0.25 -1.43 0.02 0.00 -2.50 0.00 0.00 55.73 52.08 2g46 s ARG 77 Cb -0.04 0.36 0.01 0.00 0.06 0.00 0.00 34.95 35.34 2g46 s ARG 77 CO 0.11 -0.50 -0.12 -3.38 -2.50 0.00 0.00 175.30 168.91 2g46 s HIS 78 N -4.08 1.44 0.13 5.12 -3.43 -1.26 -1.39 115.29 111.82 2g46 s HIS 78 Ca 0.30 -0.51 0.05 0.00 -0.80 0.00 0.00 55.06 54.10 2g46 s HIS 78 Cb 0.03 -1.05 -0.04 0.00 -1.43 0.00 0.00 32.58 30.10 2g46 s HIS 78 CO 0.09 -0.26 0.05 -2.00 -2.00 0.00 0.00 174.74 170.63 2g46 s GLU 79 N 0.60 2.67 -0.10 -0.38 2.56 0.95 -4.94 118.70 120.05 2g46 s GLU 79 Ca -0.13 -0.88 0.03 0.00 0.00 0.00 0.00 54.97 53.98 2g46 s GLU 79 Cb -0.15 -2.56 -0.01 0.00 2.00 0.00 0.00 34.13 33.41 2g46 s GLU 79 CO 0.03 0.51 -0.21 -0.51 -0.56 0.00 0.00 175.26 174.53 2g46 s LEU 80 N -2.70 2.29 0.00 2.70 1.43 -1.26 -0.40 118.68 120.75 2g46 s LEU 80 Ca 0.28 -0.47 0.00 0.00 -1.03 0.00 0.00 54.13 52.91 2g46 s LEU 80 Cb -0.11 -1.47 0.00 0.00 0.03 0.00 0.00 46.19 44.64 2g46 s LEU 80 CO 0.20 0.18 0.00 0.35 0.23 0.00 0.00 176.35 177.31 2g46 n THR 81 N 3.40 0.00 -1.14 5.49 -2.24 -0.86 -4.65 114.28 114.29 2g46 n THR 81 Ca -0.18 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.26 2g46 n THR 81 Cb 0.53 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.73 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 -2.82 5.63 0.00 6.98 0.00 -1.26 -4.63 120.51 124.41 2g46 n ALA 82 Ca 0.00 -2.98 0.00 0.00 0.00 0.00 0.00 53.44 50.46 2g46 n ALA 82 Cb 0.00 -3.30 0.00 0.00 0.00 0.00 0.00 19.45 16.15 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 3.85 -0.50 0.97 0.00 0.00 -1.26 -4.99 105.19 103.26 2g46 n GLY 83 Ca 0.58 0.11 -0.02 0.00 0.00 0.00 0.00 46.02 46.69 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 -0.22 0.00 0.99 7.94 -1.26 -5.00 117.00 119.45 2g46 n LEU 84 Ca 0.00 -1.70 0.00 0.00 -1.11 0.00 0.00 56.01 53.20 2g46 n LEU 84 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 2g46 n LEU 84 CO 0.00 1.03 0.00 0.29 -1.11 0.00 0.00 177.39 177.60 2g46 n LYS 85 N 0.12 0.00 -2.21 1.96 5.02 -1.26 -4.42 118.16 117.37 2g46 n LYS 85 Ca -0.11 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.75 2g46 n LYS 85 Cb 0.77 -0.27 -0.03 0.00 -0.02 0.00 0.00 35.03 35.48 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 -0.93 4.26 -0.15 1.97 0.52 -1.26 0.80 118.95 124.17 2g46 s ARG 86 Ca 0.00 1.97 0.02 0.00 -0.52 0.00 0.00 55.73 57.19 2g46 s ARG 86 Cb 0.00 -3.64 0.01 0.00 0.52 0.00 0.00 34.95 31.84 2g46 s ARG 86 CO 0.00 -0.62 -0.20 -1.64 0.02 0.00 0.00 175.30 172.86 2g46 s MET 87 N 2.71 3.08 0.33 3.54 -1.94 0.56 -2.03 119.30 125.54 2g46 s MET 87 Ca 0.64 -0.82 0.07 0.00 -1.71 0.00 0.00 55.69 53.87 2g46 s MET 87 Cb -0.31 -2.50 -0.02 0.00 2.01 0.00 0.00 34.83 34.01 2g46 s MET 87 CO 0.26 -0.02 0.36 1.03 -0.01 0.00 0.00 175.02 176.64 2g46 s ARG 88 N 0.84 2.93 -0.05 2.03 0.52 0.47 -1.53 118.95 124.16 2g46 s ARG 88 Ca -0.06 -1.14 0.00 0.00 -0.52 0.00 0.00 55.73 54.01 2g46 s ARG 88 Cb -0.15 -2.64 0.03 0.00 0.52 0.00 0.00 34.95 32.70 2g46 s ARG 88 CO -0.02 0.11 -0.01 0.42 0.02 0.00 0.00 175.30 175.83 2g46 s ILE 89 N -2.23 0.33 0.39 1.52 1.01 -0.91 -0.03 121.20 121.27 2g46 s ILE 89 Ca 0.42 0.05 0.06 0.00 0.00 0.00 0.00 60.65 61.18 2g46 s ILE 89 Cb -0.08 -0.42 -0.08 0.00 0.01 0.00 0.00 42.46 41.90 2g46 s ILE 89 CO 0.28 0.20 0.02 -0.36 0.00 0.00 0.00 174.94 175.08 2g46 s PHE 90 N 1.28 2.37 -0.37 3.97 0.08 -0.49 0.12 117.98 124.95 2g46 s PHE 90 Ca -0.06 -0.73 -0.07 0.00 0.12 0.00 0.00 56.93 56.18 2g46 s PHE 90 Cb -0.13 -1.64 0.05 0.00 -0.57 0.00 0.00 43.02 40.73 2g46 s PHE 90 CO -0.02 0.35 0.16 0.95 -0.10 0.00 0.00 175.22 176.56 2g46 s THR 91 N -2.85 3.97 0.49 0.64 -4.23 -0.52 -0.49 115.64 112.65 2g46 s THR 91 Ca 0.35 -1.22 0.31 0.00 -1.18 0.00 0.00 61.69 59.94 2g46 s THR 91 Cb 0.09 -3.32 0.34 0.00 1.34 0.00 0.00 72.50 70.95 2g46 s THR 91 CO 0.17 -0.30 2.17 0.16 -0.54 0.00 0.00 174.62 176.28 2g46 h ILE 92 N 6.12 0.46 -2.69 2.99 3.07 -1.36 -2.92 117.51 123.18 2g46 h ILE 92 Ca -0.23 -0.28 -0.12 0.00 1.55 0.00 0.00 64.86 65.78 2g46 h ILE 92 Cb 1.08 1.19 -0.26 0.00 -0.27 0.00 0.00 36.82 38.56 2g46 h ILE 92 CO 0.66 0.06 -0.30 -0.54 -1.05 0.00 0.00 178.15 176.97 2g46 s LYS 93 N -4.32 0.39 0.29 0.16 1.02 -1.07 -4.72 119.74 111.49 2g46 s LYS 93 Ca -0.04 0.73 -0.17 0.00 0.02 0.00 0.00 55.97 56.51 2g46 s LYS 93 Cb 0.14 0.02 -0.12 0.00 -0.52 0.00 0.00 37.83 37.34 2g46 s LYS 93 CO 0.55 -0.14 0.10 -2.30 -0.92 0.00 0.00 175.35 172.64 2g46 n PRO 94 N 3.99 0.00 -4.25 -1.68 -0.02 -1.15 -4.84 135.00 127.06 2g46 n PRO 94 Ca -0.21 0.00 -0.22 0.00 -2.02 0.00 0.00 63.50 61.05 2g46 n PRO 94 Cb 0.55 -0.77 -0.12 0.00 -0.02 0.00 0.00 33.50 33.14 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 -1.24 1.51 0.43 4.25 1.01 -0.88 -4.93 121.20 121.35 2g46 s ILE 95 Ca 0.46 -1.47 -0.04 0.00 0.00 0.00 0.00 60.65 59.60 2g46 s ILE 95 Cb -0.52 -1.40 -0.04 0.00 0.01 0.00 0.00 42.46 40.51 2g46 s ILE 95 CO 0.48 -0.13 0.71 0.00 0.00 0.00 0.00 174.94 176.01 2g46 s ALA 96 N -1.23 3.48 0.65 9.38 0.00 -1.25 0.16 121.76 132.95 2g46 s ALA 96 Ca 0.04 -0.57 0.35 0.00 0.00 0.00 0.00 51.96 51.78 2g46 s ALA 96 Cb -0.10 -2.47 1.91 0.00 0.00 0.00 0.00 23.12 22.46 2g46 s ALA 96 CO 0.04 -0.19 2.12 0.82 0.00 0.00 0.00 175.76 178.55 2g46 h ILE 97 N 0.53 0.13 -2.30 0.00 5.03 -1.64 -2.78 117.51 116.48 2g46 h ILE 97 Ca -0.48 0.00 -0.69 0.00 -0.12 0.00 0.00 64.86 63.57 2g46 h ILE 97 Cb 1.20 0.82 -0.35 0.00 -3.03 0.00 0.00 36.82 35.47 2g46 h ILE 97 CO 0.62 0.00 0.14 0.61 -0.68 0.00 0.00 178.15 178.84 2g46 n GLY 98 N -1.22 5.78 3.44 5.37 0.00 -1.24 -3.87 105.19 113.44 2g46 n GLY 98 Ca -0.01 -2.69 -0.22 0.00 0.00 0.00 0.00 46.02 43.09 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 -3.76 1.76 -0.14 1.61 2.02 -1.05 -5.02 118.70 114.13 2g46 s GLU 99 Ca 0.43 -2.03 0.02 0.00 0.02 0.00 0.00 54.97 53.41 2g46 s GLU 99 Cb 0.22 -0.49 0.01 0.00 0.10 0.00 0.00 34.13 33.98 2g46 s GLU 99 CO -0.12 -0.41 -0.20 -2.00 0.02 0.00 0.00 175.26 172.55 2g46 s GLU 100 N -3.79 2.84 0.05 1.61 2.12 -1.26 -0.01 118.70 120.25 2g46 s GLU 100 Ca 0.30 -0.78 -0.20 0.00 0.36 0.00 0.00 54.97 54.65 2g46 s GLU 100 Cb 0.05 -2.33 -0.06 0.00 0.26 0.00 0.00 34.13 32.04 2g46 s GLU 100 CO 0.16 -0.06 0.59 0.42 -0.54 0.00 0.00 175.26 175.83 2g46 s ILE 101 N 0.93 4.78 0.39 -3.70 1.01 0.17 -4.82 121.20 119.97 2g46 s ILE 101 Ca -0.05 1.25 -0.15 0.00 0.00 0.00 0.00 60.65 61.70 2g46 s ILE 101 Cb -0.15 -3.92 0.06 0.00 0.01 0.00 0.00 42.46 38.45 2g46 s ILE 101 CO -0.04 0.50 0.78 0.42 0.00 0.00 0.00 174.94 176.61 2g46 s THR 102 N -0.77 0.00 -0.09 2.92 -4.23 -1.26 -2.65 115.64 109.55 2g46 s THR 102 Ca 0.30 -1.02 -0.06 0.00 -1.18 0.00 0.00 61.69 59.73 2g46 s THR 102 Cb -0.19 -2.93 0.04 0.00 1.34 0.00 0.00 72.50 70.75 2g46 s THR 102 CO 0.19 0.00 0.22 0.27 -0.54 0.00 0.00 174.62 174.76 2g46 s ILE 103 N -2.22 -0.03 0.00 2.99 -5.25 -1.22 -3.79 121.20 111.67 2g46 s ILE 103 Ca 0.16 0.10 0.00 0.00 -0.99 0.00 0.00 60.65 59.93 2g46 s ILE 103 Cb -0.05 -0.33 0.00 0.00 2.95 0.00 0.00 42.46 45.03 2g46 s ILE 103 CO 0.12 0.04 0.00 -0.24 -1.79 0.00 0.00 174.94 173.07 2g46 n SER 104 N 3.80 -1.19 0.00 4.36 2.88 -1.26 -4.68 113.62 117.53 2g46 n SER 104 Ca -0.21 -0.03 0.00 0.00 -1.33 0.00 0.00 58.87 57.30 2g46 n SER 104 Cb 0.55 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.01 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 -2.20 0.00 -3.90 0.66 4.01 -1.26 -5.05 117.16 109.41 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 0.04 0.00 0.00 -0.31 0.00 0.00 39.34 39.07 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 3.33 0.49 0.06 2.72 0.00 -1.26 -4.95 105.19 105.57 2g46 n GLY 106 Ca 0.00 -0.90 0.12 0.00 0.00 0.00 0.00 46.02 45.24 2g46 n GLY 106 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2g46 n ASP 107 N -0.45 0.38 -0.06 1.61 5.75 -1.26 -4.07 116.55 118.46 2g46 n ASP 107 Ca 0.01 0.55 -0.11 0.00 -0.01 0.00 0.00 54.79 55.24 2g46 n ASP 107 Cb 0.19 -0.65 -0.04 0.00 -1.03 0.00 0.00 41.12 39.59 2g46 n ASP 107 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 2g46 n ASP 108 N -1.88 1.45 -4.54 -1.12 -0.08 -1.24 -4.35 116.55 104.79 2g46 n ASP 108 Ca 0.05 0.24 -0.30 0.00 -1.51 0.00 0.00 54.79 53.27 2g46 n ASP 108 Cb 0.32 -0.55 -0.08 0.00 2.34 0.00 0.00 41.12 43.14 2g46 n ASP 108 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2g46 n TYR 109 N -3.95 1.06 0.00 -0.67 9.36 -1.26 -4.47 117.16 117.23 2g46 n TYR 109 Ca -0.20 0.12 0.00 0.00 3.32 0.00 0.00 57.90 61.14 2g46 n TYR 109 Cb 0.51 -2.38 0.00 0.00 -0.63 0.00 0.00 39.34 36.84 2g46 n TYR 109 CO 0.00 0.00 0.00 0.91 0.22 0.00 0.00 176.86 177.99 2g46 n TRP 110 N 14.69 0.00 -1.38 2.98 7.02 -1.26 -4.30 117.44 135.19 2g46 n TRP 110 Ca 0.48 0.00 -0.37 0.00 -1.02 0.00 0.00 57.50 56.59 2g46 n TRP 110 Cb 0.38 0.00 0.05 0.00 -2.42 0.00 0.00 31.31 29.33 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 1.05 0.16 -0.99 0.00 -1.26 -4.84 117.00 111.12 2g46 n LEU 111 Ca 0.00 0.67 0.00 0.00 0.00 0.00 0.00 56.01 56.68 2g46 n LEU 111 Cb 0.00 -1.21 0.00 0.00 0.00 0.00 0.00 43.42 42.21 2g46 n LEU 111 CO 0.00 -2.99 0.00 -1.54 0.00 0.00 0.00 177.39 172.86 2g46 n SER 112 N 0.02 -2.88 -4.20 1.96 3.41 -1.26 -3.66 113.62 107.01 2g46 n SER 112 Ca 0.11 0.79 -0.24 0.00 -0.26 0.00 0.00 58.87 59.28 2g46 n SER 112 Cb 0.49 2.83 -0.14 0.00 -0.26 0.00 0.00 64.21 67.13 2g46 n SER 112 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2g46 s ARG 113 N -2.00 1.23 -0.80 4.33 0.52 -1.26 -4.88 118.95 116.10 2g46 s ARG 113 Ca 0.00 -0.83 -0.23 0.00 -0.52 0.00 0.00 55.73 54.14 2g46 s ARG 113 Cb 0.00 -1.29 -0.17 0.00 0.52 0.00 0.00 34.95 34.01 2g46 s ARG 113 CO 0.00 0.33 2.38 -2.30 0.02 0.00 0.00 175.30 175.73 2g46 n PRO 114 N 1.98 0.51 -2.88 3.54 -0.02 -1.26 -4.73 135.00 132.13 2g46 n PRO 114 Ca -0.17 -0.62 -0.19 0.00 -2.02 0.00 0.00 63.50 60.50 2g46 n PRO 114 Cb 0.54 -3.21 -0.01 0.00 -0.02 0.00 0.00 33.50 30.80 2g46 n PRO 114 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2g46 n ARG 115 N 8.31 1.92 -4.09 -0.52 1.74 -1.26 -5.07 116.66 117.69 2g46 n ARG 115 Ca 0.50 -3.86 -0.35 0.00 -0.77 0.00 0.00 57.85 53.37 2g46 n ARG 115 Cb 0.39 -1.79 -0.12 0.00 -1.02 0.00 0.00 32.46 29.92 2g46 n ARG 115 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2g46 s LEU 116 N -3.02 3.36 0.04 0.55 1.02 -1.26 -5.10 118.68 114.27 2g46 s LEU 116 Ca 0.40 -0.15 0.09 0.00 0.02 0.00 0.00 54.13 54.49 2g46 s LEU 116 Cb 0.37 -1.85 -0.03 0.00 0.02 0.00 0.00 46.19 44.71 2g46 s LEU 116 CO -0.08 0.09 -0.24 -0.89 0.02 0.00 0.00 176.35 175.25 2g46 s THR 117 N 0.85 1.97 0.20 5.49 2.01 -1.26 -5.06 115.64 119.85 2g46 s THR 117 Ca 0.01 -1.30 0.00 0.00 0.31 0.00 0.00 61.69 60.71 2g46 s THR 117 Cb -0.14 -1.69 0.00 0.00 0.01 0.00 0.00 72.50 70.68 2g46 s THR 117 CO 0.02 0.33 0.00 0.00 -0.69 0.00 0.00 174.62 174.28 2g46 n GLN 118 N 1.85 -1.77 0.00 4.92 3.00 -1.26 -5.32 117.38 118.80 2g46 n GLN 118 Ca -0.17 1.17 0.00 0.00 -0.01 0.00 0.00 57.00 57.99 2g46 n GLN 118 Cb 0.52 -2.16 0.00 0.00 0.00 0.00 0.00 30.24 28.60 2g46 n GLN 118 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.06 175.35