#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 1.23 0.10 2.03 -0.71 -1.26 -1.21 117.98 118.15 2g46 s PHE 2 Ca 0.00 -1.13 -0.02 0.00 -1.04 0.00 0.00 56.93 54.75 2g46 s PHE 2 Cb 0.00 -1.22 0.01 0.00 -1.21 0.00 0.00 43.02 40.60 2g46 s PHE 2 CO 0.00 -0.70 0.16 0.27 -1.34 0.00 0.00 175.22 173.61 2g46 n ASN 3 N 4.99 -0.46 0.00 1.98 0.23 -0.87 -4.96 115.26 116.16 2g46 n ASN 3 Ca -0.07 -1.47 0.00 0.00 -0.53 0.00 0.00 54.58 52.51 2g46 n ASN 3 Cb 0.45 0.81 0.00 0.00 -2.08 0.00 0.00 39.78 38.97 2g46 n ASN 3 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 2g46 n ASP 4 N -1.64 0.00 -0.36 0.53 8.00 -1.26 -1.68 116.55 120.14 2g46 n ASP 4 Ca -0.01 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.49 2g46 n ASP 4 Cb 0.16 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.26 2g46 n ASP 4 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2g46 n ARG 5 N 0.00 0.00 -3.68 -1.24 1.74 -1.26 -5.13 116.66 107.08 2g46 n ARG 5 Ca 0.00 -0.28 -0.10 0.00 -0.77 0.00 0.00 57.85 56.70 2g46 n ARG 5 Cb 0.00 -0.16 -0.05 0.00 -1.02 0.00 0.00 32.46 31.23 2g46 n ARG 5 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2g46 s VAL 6 N 0.00 0.07 0.16 1.55 1.01 -0.68 -4.42 120.40 118.09 2g46 s VAL 6 Ca 0.00 -0.70 0.09 0.00 0.00 0.00 0.00 61.98 61.37 2g46 s VAL 6 Cb 0.00 -1.28 -0.04 0.00 0.00 0.00 0.00 36.38 35.06 2g46 s VAL 6 CO 0.00 -0.31 -0.20 -0.51 0.00 0.00 0.00 175.10 174.08 2g46 s ILE 7 N -3.83 1.92 -0.09 2.22 2.07 -1.04 -2.06 121.20 120.39 2g46 s ILE 7 Ca 0.05 -1.90 -0.04 0.00 -1.41 0.00 0.00 60.65 57.35 2g46 s ILE 7 Cb 0.02 -1.87 -0.04 0.00 0.13 0.00 0.00 42.46 40.70 2g46 s ILE 7 CO -0.10 -0.25 0.09 -0.69 -1.91 0.00 0.00 174.94 172.09 2g46 s VAL 8 N -1.87 5.05 -0.05 4.00 1.01 -0.35 -1.62 120.40 126.57 2g46 s VAL 8 Ca 0.16 -0.03 -0.10 0.00 0.00 0.00 0.00 61.98 62.01 2g46 s VAL 8 Cb -0.07 -3.20 0.02 0.00 0.00 0.00 0.00 36.38 33.13 2g46 s VAL 8 CO 0.07 0.56 0.23 -0.54 0.00 0.00 0.00 175.10 175.42 2g46 s LYS 9 N -1.13 0.43 -0.42 2.72 1.02 -1.01 -4.87 119.74 116.47 2g46 s LYS 9 Ca 0.16 0.02 -0.23 0.00 0.02 0.00 0.00 55.97 55.93 2g46 s LYS 9 Cb -0.12 0.19 0.03 0.00 -0.52 0.00 0.00 37.83 37.42 2g46 s LYS 9 CO 0.06 -0.09 0.58 1.17 -0.92 0.00 0.00 175.35 176.15 2g46 n LYS 10 N 2.15 -2.22 -3.22 1.68 3.00 0.91 0.24 118.16 120.70 2g46 n LYS 10 Ca -0.18 1.87 -0.14 0.00 -0.00 0.00 0.00 58.31 59.86 2g46 n LYS 10 Cb 0.57 -4.25 -0.03 0.00 0.00 0.00 0.00 35.03 31.32 2g46 n LYS 10 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 2g46 n SER 11 N -0.18 2.23 0.22 3.14 7.64 -1.15 -4.97 113.62 120.55 2g46 n SER 11 Ca 0.04 -2.04 -0.16 0.00 1.01 0.00 0.00 58.87 57.72 2g46 n SER 11 Cb 0.52 0.25 -0.08 0.00 -1.01 0.00 0.00 64.21 63.89 2g46 n SER 11 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 2g46 h PRO 12 N 0.00 -0.79 0.00 1.43 0.11 -2.01 -2.80 132.00 127.94 2g46 h PRO 12 Ca -0.18 0.05 -0.18 0.00 0.11 0.00 0.00 66.00 65.80 2g46 h PRO 12 Cb 0.59 0.18 -0.02 0.00 0.11 0.00 0.00 31.00 31.86 2g46 h PRO 12 CO 0.30 -0.53 -0.83 -0.07 -0.21 0.00 0.00 178.00 176.67 2g46 h LEU 13 N -0.82 0.09 0.00 2.35 -0.00 -2.05 -3.50 115.31 111.38 2g46 h LEU 13 Ca -0.03 -0.07 0.00 0.00 -0.00 0.00 0.00 57.88 57.78 2g46 h LEU 13 Cb 0.76 -0.03 0.00 0.00 -0.00 0.00 0.00 40.66 41.39 2g46 h LEU 13 CO -0.12 0.87 0.00 0.61 -0.00 0.00 0.00 178.44 179.80 2g46 n GLY 14 N 0.81 0.36 0.91 0.83 0.00 -1.06 -5.15 105.19 101.89 2g46 n GLY 14 Ca -0.02 -1.42 0.00 0.00 0.00 0.00 0.00 46.02 44.58 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 -3.73 2.95 -0.02 0.00 -1.26 -2.93 105.19 100.19 2g46 n GLY 15 Ca 0.00 -0.97 -0.30 0.00 0.00 0.00 0.00 46.02 44.75 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 -3.84 3.52 0.03 1.61 2.02 -1.25 -0.06 117.35 119.38 2g46 s TYR 16 Ca 0.00 -3.24 0.00 0.00 -0.37 0.00 0.00 57.07 53.47 2g46 s TYR 16 Cb 0.00 -2.83 -0.00 0.00 -0.40 0.00 0.00 41.96 38.73 2g46 s TYR 16 CO 0.00 -0.63 0.01 0.41 -1.57 0.00 0.00 175.55 173.77 2g46 n GLY 17 N 2.35 4.04 3.90 0.71 0.00 0.14 -4.38 105.19 111.96 2g46 n GLY 17 Ca 0.16 -1.91 -0.32 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 -1.68 5.25 -0.19 1.61 1.01 -1.08 -2.42 120.40 122.91 2g46 s VAL 18 Ca 0.02 -0.10 -0.02 0.00 0.00 0.00 0.00 61.98 61.88 2g46 s VAL 18 Cb 0.00 -3.62 -0.00 0.00 0.00 0.00 0.00 36.38 32.76 2g46 s VAL 18 CO 0.01 0.10 -0.11 -0.36 0.00 0.00 0.00 175.10 174.74 2g46 s PHE 19 N -1.58 2.87 -1.01 5.22 0.40 -0.64 -0.40 117.98 122.84 2g46 s PHE 19 Ca 0.38 -1.10 -0.17 0.00 -0.60 0.00 0.00 56.93 55.44 2g46 s PHE 19 Cb -0.12 -2.00 0.14 0.00 0.51 0.00 0.00 43.02 41.55 2g46 s PHE 19 CO 0.25 -0.57 1.22 0.00 0.70 0.00 0.00 175.22 176.83 2g46 s ALA 20 N 1.21 3.56 0.59 5.36 0.00 0.70 -2.49 121.76 130.69 2g46 s ALA 20 Ca 0.02 -2.95 0.30 0.00 0.00 0.00 0.00 51.96 49.34 2g46 s ALA 20 Cb -0.14 -4.07 1.85 0.00 0.00 0.00 0.00 23.12 20.75 2g46 s ALA 20 CO -0.04 -2.92 2.26 -0.09 0.00 0.00 0.00 175.76 174.97 2g46 h ARG 21 N 8.32 0.00 0.00 0.00 2.43 -1.82 -2.12 114.38 121.18 2g46 h ARG 21 Ca 0.21 0.00 -0.46 0.00 -0.81 0.00 0.00 59.98 58.92 2g46 h ARG 21 Cb 0.98 0.00 0.11 0.00 -0.42 0.00 0.00 29.97 30.64 2g46 h ARG 21 CO 1.15 0.00 0.19 1.63 -1.51 0.00 0.00 179.97 181.44 2g46 n LYS 22 N -3.80 -0.42 0.00 0.20 5.02 -1.26 -3.78 118.16 114.12 2g46 n LYS 22 Ca -0.03 -2.55 0.00 0.00 -2.02 0.00 0.00 58.31 53.71 2g46 n LYS 22 Cb 0.09 -0.84 0.00 0.00 -0.02 0.00 0.00 35.03 34.25 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 -3.15 0.00 -4.63 4.39 2.88 0.72 -2.28 113.62 111.55 2g46 n SER 23 Ca 0.17 0.00 -0.28 0.00 -1.33 0.00 0.00 58.87 57.42 2g46 n SER 23 Cb 0.59 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.96 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 2.81 0.00 0.66 0.08 -1.01 -4.96 117.98 113.56 2g46 s PHE 24 Ca 0.00 -0.13 0.00 0.00 0.12 0.00 0.00 56.93 56.92 2g46 s PHE 24 Cb 0.00 -1.42 0.00 0.00 -0.57 0.00 0.00 43.02 41.03 2g46 s PHE 24 CO 0.00 0.48 0.00 0.39 -0.10 0.00 0.00 175.22 175.99 2g46 n GLU 25 N 0.31 1.61 -3.39 0.44 1.02 -1.26 -1.62 120.64 117.74 2g46 n GLU 25 Ca -0.11 0.00 -0.39 0.00 -0.02 0.00 0.00 57.16 56.64 2g46 n GLU 25 Cb 0.54 0.00 -0.09 0.00 -0.02 0.00 0.00 31.44 31.87 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 -0.06 4.02 0.00 3.49 2.20 -1.26 -3.43 119.74 124.70 2g46 s LYS 26 Ca 0.00 0.05 0.00 0.00 -0.36 0.00 0.00 55.97 55.66 2g46 s LYS 26 Cb 0.00 -3.65 0.00 0.00 -1.51 0.00 0.00 37.83 32.67 2g46 s LYS 26 CO 0.00 -0.27 0.00 0.41 -0.36 0.00 0.00 175.35 175.13 2g46 n GLY 27 N 4.65 0.63 3.05 5.54 0.00 0.14 -4.95 105.19 114.25 2g46 n GLY 27 Ca -0.08 -0.40 -0.26 0.00 0.00 0.00 0.00 46.02 45.28 2g46 n GLY 27 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2g46 s GLU 28 N -2.95 1.96 1.04 1.61 -6.30 -1.26 -4.81 118.70 108.00 2g46 s GLU 28 Ca 0.00 -0.49 -0.15 0.00 -2.50 0.00 0.00 54.97 51.83 2g46 s GLU 28 Cb 0.00 -1.62 0.09 0.00 0.00 0.00 0.00 34.13 32.60 2g46 s GLU 28 CO 0.00 0.01 0.32 -0.11 0.02 0.00 0.00 175.26 175.50 2g46 n LEU 29 N 3.91 -1.04 0.00 2.70 7.94 -1.26 -2.26 117.00 126.99 2g46 n LEU 29 Ca -0.21 0.10 0.00 0.00 -1.11 0.00 0.00 56.01 54.79 2g46 n LEU 29 Cb 0.52 -1.12 0.00 0.00 0.53 0.00 0.00 43.42 43.35 2g46 n LEU 29 CO 0.25 -3.29 0.00 0.52 -1.11 0.00 0.00 177.39 173.76 2g46 n VAL 30 N -4.11 0.00 -3.19 1.96 0.31 0.80 -4.82 118.33 109.28 2g46 n VAL 30 Ca 0.04 0.00 -0.22 0.00 -0.01 0.00 0.00 64.34 64.15 2g46 n VAL 30 Cb 0.57 -0.30 -0.06 0.00 -0.91 0.00 0.00 33.84 33.14 2g46 n VAL 30 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 2g46 n GLU 31 N -2.32 0.87 -1.69 5.55 4.07 -1.26 -4.80 120.64 121.06 2g46 n GLU 31 Ca 0.00 -3.32 -0.38 0.00 -0.06 0.00 0.00 57.16 53.40 2g46 n GLU 31 Cb 0.00 -1.42 0.06 0.00 -0.06 0.00 0.00 31.44 30.02 2g46 n GLU 31 CO 0.00 0.00 0.00 -0.85 -0.06 0.00 0.00 177.13 176.22 2g46 n GLU 32 N 0.99 1.16 -0.84 5.31 0.28 -1.26 -4.72 120.64 121.56 2g46 n GLU 32 Ca 0.23 0.44 0.00 0.00 -0.16 0.00 0.00 57.16 57.67 2g46 n GLU 32 Cb 0.57 -2.39 0.00 0.00 1.43 0.00 0.00 31.44 31.05 2g46 n GLU 32 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2g46 s LEU 34 N 0.00 3.85 0.00 0.00 1.02 -1.26 -0.72 118.68 121.58 2g46 s LEU 34 Ca 0.00 -0.23 0.06 0.00 0.02 0.00 0.00 54.13 53.98 2g46 s LEU 34 Cb 0.00 -2.39 -0.02 0.00 0.02 0.00 0.00 46.19 43.80 2g46 s LEU 34 CO 0.00 -0.05 0.20 0.00 0.02 0.00 0.00 176.35 176.52 2g46 s ILE 36 N -3.19 3.31 -0.34 0.00 1.01 -1.11 -4.81 121.20 116.08 2g46 s ILE 36 Ca 0.28 -1.39 0.03 0.00 0.00 0.00 0.00 60.65 59.57 2g46 s ILE 36 Cb 0.01 -2.58 0.10 0.00 0.01 0.00 0.00 42.46 40.01 2g46 s ILE 36 CO 0.20 0.04 0.07 -0.69 0.00 0.00 0.00 174.94 174.57 2g46 s VAL 37 N -1.36 1.93 -0.04 2.92 1.01 -1.26 -0.56 120.40 123.04 2g46 s VAL 37 Ca 0.22 -2.17 0.02 0.00 0.00 0.00 0.00 61.98 60.06 2g46 s VAL 37 Cb -0.10 -2.43 0.01 0.00 0.00 0.00 0.00 36.38 33.85 2g46 s VAL 37 CO 0.14 -0.63 -0.09 -0.13 0.00 0.00 0.00 175.10 174.38 2g46 s ARG 38 N 1.01 1.12 1.07 2.72 1.81 -0.65 -4.98 118.95 121.06 2g46 s ARG 38 Ca 0.11 -0.31 -0.15 0.00 -1.72 0.00 0.00 55.73 53.66 2g46 s ARG 38 Cb -0.19 -1.02 0.20 0.00 -0.45 0.00 0.00 34.95 33.49 2g46 s ARG 38 CO -0.12 0.07 0.39 0.72 -0.68 0.00 0.00 175.30 175.69 2g46 n HIS 39 N 3.50 -2.50 0.00 -0.53 8.25 -1.26 -1.69 115.22 120.99 2g46 n HIS 39 Ca -0.20 -0.11 0.00 0.00 -0.26 0.00 0.00 57.72 57.14 2g46 n HIS 39 Cb 0.53 -1.39 0.00 0.00 1.12 0.00 0.00 29.99 30.25 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 -1.91 0.00 0.00 0.41 5.15 -1.26 -4.31 115.26 113.33 2g46 n ASN 40 Ca 0.07 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.05 2g46 n ASN 40 Cb 0.40 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.65 2g46 n ASN 40 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 2g46 n ASP 41 N 0.00 0.00 -0.29 1.20 9.92 -1.26 -2.31 116.55 123.81 2g46 n ASP 41 Ca 0.00 0.00 0.34 0.00 -0.53 0.00 0.00 54.79 54.60 2g46 n ASP 41 Cb 0.00 0.00 0.69 0.00 -0.64 0.00 0.00 41.12 41.17 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 9.37 0.00 0.31 -2.24 3.32 -1.99 -0.43 116.42 124.76 2g46 h ASP 42 Ca 0.00 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 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 -0.27 -0.25 -1.72 0.00 0.00 179.24 177.00 2g46 h TRP 43 N 0.00 -0.71 0.02 4.55 -0.00 -1.68 -1.02 115.95 117.11 2g46 h TRP 43 Ca 0.55 0.00 -0.00 0.00 -0.00 0.00 0.00 58.89 59.44 2g46 h TRP 43 Cb 2.48 0.27 0.00 0.00 -0.00 0.00 0.00 29.16 31.91 2g46 h TRP 43 CO 0.00 -0.39 -0.01 0.78 -0.00 0.00 0.00 178.44 178.82 2g46 h GLY 44 N -0.59 -0.02 -0.09 2.65 0.00 -1.22 0.27 103.07 104.07 2g46 h GLY 44 Ca -0.02 0.01 0.18 0.00 0.00 0.00 0.00 47.33 47.50 2g46 h GLY 44 CO -0.03 -0.01 0.29 -0.84 0.00 0.00 0.00 176.54 175.95 2g46 h THR 45 N -0.39 0.52 0.01 4.70 2.02 -1.42 1.20 112.91 119.56 2g46 h THR 45 Ca -0.00 -0.12 -0.02 0.00 0.77 0.00 0.00 66.41 67.03 2g46 h THR 45 Cb 0.37 0.13 0.00 0.00 -1.74 0.00 0.00 68.15 66.91 2g46 h THR 45 CO 0.00 0.07 -0.10 0.00 0.37 0.00 0.00 175.52 175.86 2g46 h ALA 46 N 1.64 -0.01 -0.53 6.16 0.00 -1.14 -3.31 119.26 122.08 2g46 h ALA 46 Ca 0.48 -0.50 -0.24 0.00 0.00 0.00 0.00 54.91 54.64 2g46 h ALA 46 Cb 0.84 0.01 -0.15 0.00 0.00 0.00 0.00 17.79 18.49 2g46 h ALA 46 CO -0.50 0.03 0.31 1.28 0.00 0.00 0.00 179.25 180.37 2g46 n LEU 47 N -4.57 4.89 -4.17 0.00 7.99 0.08 -4.82 117.00 116.39 2g46 n LEU 47 Ca -0.10 -2.56 -0.31 0.00 -0.01 0.00 0.00 56.01 53.02 2g46 n LEU 47 Cb 0.50 -0.68 -0.08 0.00 -0.11 0.00 0.00 43.42 43.05 2g46 n LEU 47 CO 0.36 0.75 1.55 -1.84 -1.51 0.00 0.00 177.39 176.70 2g46 n GLU 48 N -0.30 0.98 0.00 3.23 -0.00 0.41 -3.02 120.64 121.94 2g46 n GLU 48 Ca 0.31 -1.91 0.00 0.00 -0.00 0.00 0.00 57.16 55.56 2g46 n GLU 48 Cb 1.11 -3.38 0.00 0.00 -0.00 0.00 0.00 31.44 29.16 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 13.12 0.00 -2.60 -1.84 2.03 -1.26 -5.01 116.55 120.99 2g46 n ASP 49 Ca 0.46 0.00 -0.15 0.00 0.52 0.00 0.00 54.79 55.62 2g46 n ASP 49 Cb 0.44 0.00 0.02 0.00 -0.72 0.00 0.00 41.12 40.86 2g46 n ASP 49 CO 0.00 0.00 0.00 -1.22 -1.92 0.00 0.00 177.20 174.06 2g46 n TYR 50 N -0.58 1.89 -4.93 -0.67 4.01 -1.17 -5.05 117.16 110.67 2g46 n TYR 50 Ca 0.00 -2.90 -0.28 0.00 -0.16 0.00 0.00 57.90 54.55 2g46 n TYR 50 Cb 0.00 -0.28 -0.17 0.00 -0.31 0.00 0.00 39.34 38.58 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 -3.26 1.90 -0.52 7.72 1.43 -1.26 -2.52 118.68 122.18 2g46 s LEU 51 Ca 0.34 -0.43 -0.21 0.00 -1.03 0.00 0.00 54.13 52.80 2g46 s LEU 51 Cb 0.44 -1.13 0.05 0.00 0.03 0.00 0.00 46.19 45.58 2g46 s LEU 51 CO -0.04 0.12 0.74 -0.36 0.23 0.00 0.00 176.35 177.04 2g46 s PHE 52 N 0.39 2.96 -0.42 0.29 0.08 0.12 -4.87 117.98 116.53 2g46 s PHE 52 Ca -0.14 -0.31 -0.23 0.00 0.12 0.00 0.00 56.93 56.36 2g46 s PHE 52 Cb -0.16 -3.72 0.02 0.00 -0.57 0.00 0.00 43.02 38.59 2g46 s PHE 52 CO 0.06 -1.14 0.80 -1.54 -0.10 0.00 0.00 175.22 173.30 2g46 s SER 53 N 2.69 6.46 0.47 1.36 1.04 -1.26 -1.79 113.70 122.68 2g46 s SER 53 Ca 0.21 0.06 0.06 0.00 0.48 0.00 0.00 55.95 56.76 2g46 s SER 53 Cb -0.16 -2.40 0.08 0.00 0.10 0.00 0.00 66.02 63.64 2g46 s SER 53 CO 0.15 -0.87 0.62 -1.14 0.98 0.00 0.00 173.24 172.98 2g46 n ARG 54 N 6.67 0.59 -2.69 4.02 0.63 -0.50 -4.98 116.66 120.40 2g46 n ARG 54 Ca 0.03 -2.25 -0.43 0.00 -0.92 0.00 0.00 57.85 54.28 2g46 n ARG 54 Cb 0.48 -0.24 -0.01 0.00 0.45 0.00 0.00 32.46 33.14 2g46 n ARG 54 CO 0.00 0.00 0.00 0.21 -2.51 0.00 0.00 177.63 175.33 2g46 s LYS 55 N -4.03 3.85 0.00 -0.14 2.20 -1.26 -2.85 119.74 117.52 2g46 s LYS 55 Ca 0.46 -1.85 0.00 0.00 -0.36 0.00 0.00 55.97 54.22 2g46 s LYS 55 Cb -0.03 -5.32 0.00 0.00 -1.51 0.00 0.00 37.83 30.97 2g46 s LYS 55 CO 0.29 -2.09 0.00 0.27 -0.36 0.00 0.00 175.35 173.47 2g46 n ASN 56 N 7.76 0.00 -0.06 1.43 6.94 -1.26 -5.13 115.26 124.93 2g46 n ASN 56 Ca 0.39 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.95 2g46 n ASN 56 Cb 0.47 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.89 2g46 n ASN 56 CO 0.00 0.00 0.00 1.15 -1.03 0.00 0.00 177.26 177.38 2g46 n MET 57 N 0.00 0.00 -3.72 -3.83 0.00 -1.13 -4.81 117.12 103.62 2g46 n MET 57 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 57.70 57.54 2g46 n MET 57 Cb 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 33.22 33.06 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 1.81 0.41 0.18 3.17 0.01 -0.68 -1.40 113.70 117.19 2g46 s SER 58 Ca 0.00 0.16 0.07 0.00 1.31 0.00 0.00 55.95 57.48 2g46 s SER 58 Cb 0.00 0.03 -0.04 0.00 0.21 0.00 0.00 66.02 66.22 2g46 s SER 58 CO 0.00 -0.18 0.05 0.00 0.41 0.00 0.00 173.24 173.52 2g46 s ALA 59 N 1.57 3.33 0.60 1.44 0.00 -0.74 -1.63 121.76 126.33 2g46 s ALA 59 Ca -0.04 -1.35 -0.03 0.00 0.00 0.00 0.00 51.96 50.55 2g46 s ALA 59 Cb -0.12 -1.10 0.04 0.00 0.00 0.00 0.00 23.12 21.93 2g46 s ALA 59 CO -0.04 0.46 0.87 1.41 0.00 0.00 0.00 175.76 178.45 2g46 s MET 60 N -3.10 2.52 0.18 0.00 1.75 0.27 0.13 119.30 121.05 2g46 s MET 60 Ca 0.29 -0.46 0.16 0.00 -1.25 0.00 0.00 55.69 54.44 2g46 s MET 60 Cb -0.09 -2.35 -0.03 0.00 2.84 0.00 0.00 34.83 35.20 2g46 s MET 60 CO 0.20 -0.85 1.14 0.00 -0.65 0.00 0.00 175.02 174.86 2g46 h ALA 61 N -0.17 0.66 -0.88 4.11 0.00 -1.83 -2.93 119.26 118.23 2g46 h ALA 61 Ca -0.44 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 53.88 2g46 h ALA 61 Cb 1.29 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.17 2g46 h ALA 61 CO 0.57 0.70 0.00 -0.11 0.00 0.00 0.00 179.25 180.41 2g46 n LEU 62 N -3.03 0.00 0.00 0.00 7.94 -1.26 -4.30 117.00 116.35 2g46 n LEU 62 Ca -0.03 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.87 2g46 n LEU 62 Cb 0.76 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.71 2g46 n LEU 62 CO 0.41 0.00 0.00 0.61 -1.11 0.00 0.00 177.39 177.30 2g46 n GLY 63 N 0.00 -2.82 2.15 -3.96 0.00 -1.04 -4.65 105.19 94.88 2g46 n GLY 63 Ca 0.00 -0.97 -0.19 0.00 0.00 0.00 0.00 46.02 44.86 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 0.69 0.02 1.61 3.72 -1.26 -4.27 117.46 117.97 2g46 n PHE 64 Ca 0.00 -1.82 -0.00 0.00 -0.05 0.00 0.00 57.45 55.58 2g46 n PHE 64 Cb 0.00 -1.66 -0.09 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 2.25 -1.18 0.13 1.37 0.00 -1.26 -4.36 105.19 102.14 2g46 n GLY 65 Ca 0.49 -0.13 -0.22 0.00 0.00 0.00 0.00 46.02 46.16 2g46 n GLY 65 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2g46 n ALA 66 N -2.41 0.86 0.05 4.61 0.00 -1.26 -4.16 120.51 118.19 2g46 n ALA 66 Ca -0.11 -0.56 0.19 0.00 0.00 0.00 0.00 53.44 52.96 2g46 n ALA 66 Cb 0.85 -0.62 0.48 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 -0.34 0.09 -3.32 0.00 -0.00 -1.82 -3.41 117.51 108.71 2g46 h ILE 67 Ca -0.40 0.00 -0.57 0.00 -0.00 0.00 0.00 64.86 63.88 2g46 h ILE 67 Cb 1.76 0.25 0.12 0.00 -0.00 0.00 0.00 36.82 38.96 2g46 h ILE 67 CO -0.03 0.00 0.39 0.49 -0.00 0.00 0.00 178.15 179.00 2g46 n PHE 68 N -3.15 1.88 -3.89 0.16 3.72 -1.26 -3.65 117.46 111.26 2g46 n PHE 68 Ca 0.11 0.54 0.00 0.00 -0.05 0.00 0.00 57.45 58.05 2g46 n PHE 68 Cb 1.04 -2.34 0.00 0.00 -0.94 0.00 0.00 39.48 37.24 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 0.44 1.88 -4.42 4.37 3.02 -1.26 -4.74 115.26 114.55 2g46 n ASN 69 Ca 0.07 -0.95 -0.41 0.00 -0.03 0.00 0.00 54.58 53.26 2g46 n ASN 69 Cb 0.38 0.00 -0.11 0.00 -0.61 0.00 0.00 39.78 39.45 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 -0.78 3.24 -0.14 3.10 2.46 -1.26 -3.37 115.29 118.54 2g46 s HIS 70 Ca 0.00 -0.73 0.18 0.00 0.47 0.00 0.00 55.06 54.98 2g46 s HIS 70 Cb 0.00 -2.49 0.33 0.00 -0.13 0.00 0.00 32.58 30.29 2g46 s HIS 70 CO 0.00 -0.59 1.20 0.45 -2.47 0.00 0.00 174.74 173.33 2g46 n SER 71 N 5.06 2.62 -1.73 9.88 2.88 -1.26 -4.95 113.62 126.12 2g46 n SER 71 Ca -0.12 -3.04 -0.13 0.00 -1.33 0.00 0.00 58.87 54.25 2g46 n SER 71 Cb 0.47 -0.44 -0.04 0.00 -0.75 0.00 0.00 64.21 63.45 2g46 n SER 71 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2g46 n LYS 72 N -1.24 -1.58 -2.68 -1.46 4.76 -1.26 -4.71 118.16 109.99 2g46 n LYS 72 Ca 0.17 0.74 -0.05 0.00 -2.87 0.00 0.00 58.31 56.30 2g46 n LYS 72 Cb 0.67 -5.10 0.09 0.00 -1.84 0.00 0.00 35.03 28.85 2g46 n LYS 72 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 2g46 n ASP 73 N -0.95 -1.46 -4.57 4.39 8.00 -1.26 -5.02 116.55 115.68 2g46 n ASP 73 Ca -0.14 -2.06 -0.14 0.00 0.71 0.00 0.00 54.79 53.16 2g46 n ASP 73 Cb 0.50 1.06 -0.10 0.00 -0.02 0.00 0.00 41.12 42.55 2g46 n ASP 73 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 2g46 n PRO 74 N 1.03 0.23 0.27 -0.24 -0.04 -1.26 -4.70 135.00 130.29 2g46 n PRO 74 Ca -0.01 -1.42 0.17 0.00 -0.04 0.00 0.00 63.50 62.21 2g46 n PRO 74 Cb 0.72 -3.83 0.93 0.00 -0.04 0.00 0.00 33.50 31.28 2g46 n PRO 74 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 2g46 h ASN 75 N 11.97 0.00 -4.26 3.54 4.21 -1.87 -3.41 115.58 125.75 2g46 h ASN 75 Ca 0.00 0.00 -0.40 0.00 1.21 0.00 0.00 56.30 57.11 2g46 h ASN 75 Cb 1.00 0.00 -0.26 0.00 -1.12 0.00 0.00 38.32 37.94 2g46 h ASN 75 CO 1.00 0.00 -0.78 0.00 -1.29 0.00 0.00 177.43 176.36 2g46 s ALA 76 N -3.90 0.92 0.38 -0.83 0.00 -1.25 -1.20 121.76 115.88 2g46 s ALA 76 Ca -0.04 -0.64 0.08 0.00 0.00 0.00 0.00 51.96 51.37 2g46 s ALA 76 Cb 0.10 -0.16 -0.06 0.00 0.00 0.00 0.00 23.12 23.00 2g46 s ALA 76 CO 0.31 0.18 0.01 0.50 0.00 0.00 0.00 175.76 176.76 2g46 s ARG 77 N -0.80 2.00 -0.11 0.00 3.52 -0.43 -4.23 118.95 118.90 2g46 s ARG 77 Ca 0.01 -1.93 -0.03 0.00 -0.13 0.00 0.00 55.73 53.65 2g46 s ARG 77 Cb -0.06 -1.79 -0.03 0.00 -1.56 0.00 0.00 34.95 31.51 2g46 s ARG 77 CO 0.00 0.03 -0.01 -3.38 -0.81 0.00 0.00 175.30 171.14 2g46 s HIS 78 N -2.62 3.11 0.32 5.12 -3.43 -1.26 -1.48 115.29 115.05 2g46 s HIS 78 Ca 0.35 0.03 0.06 0.00 -0.80 0.00 0.00 55.06 54.71 2g46 s HIS 78 Cb 0.05 -1.86 -0.06 0.00 -1.43 0.00 0.00 32.58 29.27 2g46 s HIS 78 CO 0.19 0.29 -0.02 -2.00 -2.00 0.00 0.00 174.74 171.19 2g46 s GLU 79 N -0.41 1.68 0.07 -0.38 2.12 0.65 -4.95 118.70 117.49 2g46 s GLU 79 Ca 0.07 -1.89 0.07 0.00 0.36 0.00 0.00 54.97 53.58 2g46 s GLU 79 Cb -0.12 -1.24 -0.03 0.00 0.26 0.00 0.00 34.13 33.00 2g46 s GLU 79 CO 0.02 -0.02 -0.19 -0.51 -0.54 0.00 0.00 175.26 174.02 2g46 s LEU 80 N -3.52 2.24 0.00 2.70 1.43 -1.26 -0.32 118.68 119.95 2g46 s LEU 80 Ca 0.33 -0.60 0.00 0.00 -1.03 0.00 0.00 54.13 52.82 2g46 s LEU 80 Cb 0.06 -0.83 0.00 0.00 0.03 0.00 0.00 46.19 45.45 2g46 s LEU 80 CO 0.14 0.07 0.21 0.35 0.23 0.00 0.00 176.35 177.35 2g46 n THR 81 N 1.43 0.00 -3.13 5.49 -2.24 -1.24 -4.86 114.28 109.74 2g46 n THR 81 Ca -0.19 0.41 0.04 0.00 -2.27 0.00 0.00 64.05 62.05 2g46 n THR 81 Cb 0.54 -0.83 -0.00 0.00 -2.10 0.00 0.00 70.33 67.93 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 -3.19 -3.36 0.00 6.98 0.00 -1.26 -4.96 121.76 115.96 2g46 s ALA 82 Ca 0.00 1.18 0.00 0.00 0.00 0.00 0.00 51.96 53.14 2g46 s ALA 82 Cb 0.00 -2.73 0.00 0.00 0.00 0.00 0.00 23.12 20.39 2g46 s ALA 82 CO 0.00 -2.03 0.00 0.41 0.00 0.00 0.00 175.76 174.14 2g46 n GLY 83 N 5.09 1.89 3.50 0.00 0.00 -1.26 -4.63 105.19 109.78 2g46 n GLY 83 Ca 0.08 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.01 0.00 0.99 4.77 -1.26 -4.88 117.00 114.61 2g46 n LEU 84 Ca 0.00 -0.51 0.00 0.00 -0.03 0.00 0.00 56.01 55.47 2g46 n LEU 84 Cb 0.00 -2.38 0.00 0.00 -2.33 0.00 0.00 43.42 38.71 2g46 n LEU 84 CO 0.00 0.26 0.00 0.29 -1.33 0.00 0.00 177.39 176.61 2g46 n LYS 85 N -4.07 0.00 -2.21 3.23 5.02 -1.26 -4.32 118.16 114.55 2g46 n LYS 85 Ca -0.01 0.00 -0.27 0.00 -2.02 0.00 0.00 58.31 56.01 2g46 n LYS 85 Cb 0.55 -0.27 0.17 0.00 -0.02 0.00 0.00 35.03 35.46 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 -0.69 0.88 -0.13 1.97 0.52 -1.26 0.86 118.95 121.09 2g46 s ARG 86 Ca 0.00 -0.78 -0.06 0.00 -0.52 0.00 0.00 55.73 54.36 2g46 s ARG 86 Cb 0.00 -2.03 0.05 0.00 0.52 0.00 0.00 34.95 33.50 2g46 s ARG 86 CO 0.00 -2.15 0.30 -1.64 0.02 0.00 0.00 175.30 171.84 2g46 s MET 87 N -5.64 0.26 -0.34 3.54 -1.94 0.11 -3.69 119.30 111.60 2g46 s MET 87 Ca 0.73 0.65 -0.02 0.00 -1.71 0.00 0.00 55.69 55.34 2g46 s MET 87 Cb -0.03 -0.06 0.07 0.00 2.01 0.00 0.00 34.83 36.81 2g46 s MET 87 CO 0.50 -0.18 0.07 0.50 -0.01 0.00 0.00 175.02 175.90 2g46 s ARG 88 N 1.49 2.24 -0.38 2.03 3.52 0.57 -1.91 118.95 126.50 2g46 s ARG 88 Ca -0.08 -1.48 -0.22 0.00 -0.13 0.00 0.00 55.73 53.83 2g46 s ARG 88 Cb -0.10 -3.32 0.01 0.00 -1.56 0.00 0.00 34.95 29.98 2g46 s ARG 88 CO -0.10 -0.79 0.71 0.42 -0.81 0.00 0.00 175.30 174.73 2g46 s ILE 89 N 1.20 4.79 0.54 4.11 1.01 -1.26 -0.25 121.20 131.34 2g46 s ILE 89 Ca 0.00 0.60 0.09 0.00 0.00 0.00 0.00 60.65 61.34 2g46 s ILE 89 Cb -0.21 -4.17 0.07 0.00 0.01 0.00 0.00 42.46 38.15 2g46 s ILE 89 CO -0.02 -0.45 0.68 -0.36 0.00 0.00 0.00 174.94 174.79 2g46 s PHE 90 N 2.94 1.67 -0.42 3.97 0.40 -0.55 -0.14 117.98 125.85 2g46 s PHE 90 Ca 0.27 -0.70 -0.02 0.00 -0.60 0.00 0.00 56.93 55.89 2g46 s PHE 90 Cb -0.14 -2.18 0.11 0.00 0.51 0.00 0.00 43.02 41.33 2g46 s PHE 90 CO 0.17 -0.91 0.20 0.95 0.70 0.00 0.00 175.22 176.33 2g46 s THR 91 N -2.64 3.19 0.64 0.64 -4.23 -0.96 -1.32 115.64 110.97 2g46 s THR 91 Ca 0.56 -2.16 0.29 0.00 -1.18 0.00 0.00 61.69 59.20 2g46 s THR 91 Cb -0.06 -3.20 0.33 0.00 1.34 0.00 0.00 72.50 70.91 2g46 s THR 91 CO 0.35 -0.69 1.91 0.16 -0.54 0.00 0.00 174.62 175.80 2g46 h ILE 92 N 6.31 0.14 -3.12 2.99 3.07 -1.45 0.40 117.51 125.87 2g46 h ILE 92 Ca -0.11 0.00 -0.13 0.00 1.55 0.00 0.00 64.86 66.16 2g46 h ILE 92 Cb 1.04 0.65 -0.22 0.00 -0.27 0.00 0.00 36.82 38.02 2g46 h ILE 92 CO 0.68 0.00 -0.35 -0.54 -1.05 0.00 0.00 178.15 176.89 2g46 s LYS 93 N -4.29 0.53 0.16 0.16 1.02 -1.06 -4.59 119.74 111.67 2g46 s LYS 93 Ca -0.04 -0.04 -0.33 0.00 0.02 0.00 0.00 55.97 55.59 2g46 s LYS 93 Cb 0.11 0.24 -0.13 0.00 -0.52 0.00 0.00 37.83 37.53 2g46 s LYS 93 CO 0.37 -0.12 1.64 -2.30 -0.92 0.00 0.00 175.35 174.02 2g46 n PRO 94 N 1.84 2.36 -4.06 -1.68 -0.02 -1.22 -4.68 135.00 127.54 2g46 n PRO 94 Ca -0.19 0.85 -0.31 0.00 -2.02 0.00 0.00 63.50 61.83 2g46 n PRO 94 Cb 0.57 -2.65 -0.06 0.00 -0.02 0.00 0.00 33.50 31.33 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 1.18 4.65 0.46 4.25 1.01 -0.64 -4.94 121.20 127.17 2g46 s ILE 95 Ca 0.78 -0.64 0.03 0.00 0.00 0.00 0.00 60.65 60.82 2g46 s ILE 95 Cb -0.62 -3.21 0.01 0.00 0.01 0.00 0.00 42.46 38.65 2g46 s ILE 95 CO 0.37 0.19 0.66 0.00 0.00 0.00 0.00 174.94 176.16 2g46 s ALA 96 N -1.34 4.00 -0.04 9.38 0.00 -1.25 -0.20 121.76 132.30 2g46 s ALA 96 Ca 0.28 -1.31 -0.30 0.00 0.00 0.00 0.00 51.96 50.63 2g46 s ALA 96 Cb -0.12 -1.97 -0.05 0.00 0.00 0.00 0.00 23.12 20.98 2g46 s ALA 96 CO 0.20 -0.44 1.40 0.42 0.00 0.00 0.00 175.76 177.34 2g46 s ILE 97 N -2.54 3.84 0.00 0.00 1.09 -0.97 -3.60 121.20 119.03 2g46 s ILE 97 Ca 0.52 1.15 0.00 0.00 -1.10 0.00 0.00 60.65 61.22 2g46 s ILE 97 Cb -0.10 -3.74 0.00 0.00 -1.06 0.00 0.00 42.46 37.56 2g46 s ILE 97 CO 0.36 -0.04 0.00 0.61 -0.10 0.00 0.00 174.94 175.78 2g46 n GLY 98 N 3.69 1.00 0.00 6.18 0.00 -0.82 -4.96 105.19 110.29 2g46 n GLY 98 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 1.62 -3.96 1.61 -0.58 -1.07 -4.95 120.64 113.31 2g46 n GLU 99 Ca 0.00 0.00 -0.21 0.00 -0.42 0.00 0.00 57.16 56.53 2g46 n GLU 99 Cb 0.00 0.00 -0.17 0.00 -0.57 0.00 0.00 31.44 30.70 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 -1.83 0.69 0.04 3.49 2.12 -1.26 -0.21 118.70 121.74 2g46 s GLU 100 Ca 0.00 0.01 -0.19 0.00 0.36 0.00 0.00 54.97 55.14 2g46 s GLU 100 Cb 0.00 -0.88 -0.06 0.00 0.26 0.00 0.00 34.13 33.45 2g46 s GLU 100 CO 0.00 -0.19 0.57 0.42 -0.54 0.00 0.00 175.26 175.52 2g46 s ILE 101 N 1.41 4.82 0.16 -3.70 1.01 0.46 -4.80 121.20 120.57 2g46 s ILE 101 Ca -0.03 1.20 -0.03 0.00 0.00 0.00 0.00 60.65 61.78 2g46 s ILE 101 Cb -0.13 -3.90 0.01 0.00 0.01 0.00 0.00 42.46 38.45 2g46 s ILE 101 CO -0.03 0.50 0.27 0.35 0.00 0.00 0.00 174.94 176.04 2g46 n THR 102 N 2.12 0.00 -3.77 2.92 -2.24 -1.26 -2.63 114.28 109.42 2g46 n THR 102 Ca -0.09 -0.61 -0.10 0.00 -2.27 0.00 0.00 64.05 60.98 2g46 n THR 102 Cb 0.51 0.45 -0.07 0.00 -2.10 0.00 0.00 70.33 69.12 2g46 n THR 102 CO 0.00 0.00 0.00 0.27 -0.57 0.00 0.00 175.07 174.77 2g46 s ILE 103 N -2.61 0.11 0.00 2.28 -5.25 -1.22 -3.82 121.20 110.69 2g46 s ILE 103 Ca 0.10 -0.88 0.00 0.00 -0.99 0.00 0.00 60.65 58.88 2g46 s ILE 103 Cb -0.01 -1.17 0.00 0.00 2.95 0.00 0.00 42.46 44.23 2g46 s ILE 103 CO 0.07 -0.48 0.00 -0.24 -1.79 0.00 0.00 174.94 172.50 2g46 n SER 104 N 0.09 0.00 0.04 4.36 2.88 -1.26 -4.56 113.62 115.17 2g46 n SER 104 Ca -0.16 -0.42 0.00 0.00 -1.33 0.00 0.00 58.87 56.95 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 -0.51 -0.62 -4.45 0.66 4.01 -1.26 -5.07 117.16 109.92 2g46 n TYR 105 Ca 0.00 0.11 0.00 0.00 -0.16 0.00 0.00 57.90 57.85 2g46 n TYR 105 Cb 0.00 0.37 0.00 0.00 -0.31 0.00 0.00 39.34 39.40 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 2.12 -0.27 5.21 2.72 0.00 -1.26 -4.81 105.19 108.89 2g46 n GLY 106 Ca 0.00 -1.05 0.00 0.00 0.00 0.00 0.00 46.02 44.97 2g46 n GLY 106 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2g46 n ASP 107 N -1.23 0.00 0.00 1.61 2.03 -1.26 -1.59 116.55 116.11 2g46 n ASP 107 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 2g46 n ASP 107 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 2g46 n ASP 107 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 2g46 n ASP 108 N 2.03 4.24 -4.53 1.67 -0.08 -1.26 -4.97 116.55 113.65 2g46 n ASP 108 Ca 0.00 0.00 -0.30 0.00 -1.51 0.00 0.00 54.79 52.98 2g46 n ASP 108 Cb 0.00 0.37 -0.10 0.00 2.34 0.00 0.00 41.12 43.73 2g46 n ASP 108 CO 0.00 0.00 0.00 -1.22 0.12 0.00 0.00 177.20 176.10 2g46 n TYR 109 N -1.89 0.90 -1.59 -0.67 4.02 -0.62 -4.85 117.16 112.47 2g46 n TYR 109 Ca 0.00 0.14 -0.41 0.00 -0.01 0.00 0.00 57.90 57.62 2g46 n TYR 109 Cb 0.44 -2.21 0.01 0.00 -0.02 0.00 0.00 39.34 37.56 2g46 n TYR 109 CO 0.00 0.00 0.00 -2.67 -1.01 0.00 0.00 176.86 173.18 2g46 n TRP 110 N 13.33 0.95 -3.20 -0.72 4.27 -1.26 -4.15 117.44 126.66 2g46 n TRP 110 Ca 0.52 0.57 -0.27 0.00 -3.89 0.00 0.00 57.50 54.43 2g46 n TRP 110 Cb 0.31 -2.19 -0.02 0.00 -1.36 0.00 0.00 31.31 28.05 2g46 n TRP 110 CO 0.00 0.00 0.00 -1.17 -2.29 0.00 0.00 177.69 174.23 2g46 s LEU 111 N -0.26 3.96 0.00 5.67 2.96 -1.26 -5.00 118.68 124.74 2g46 s LEU 111 Ca 0.64 0.70 0.00 0.00 -0.22 0.00 0.00 54.13 55.25 2g46 s LEU 111 Cb -0.56 -3.56 0.00 0.00 0.50 0.00 0.00 46.19 42.57 2g46 s LEU 111 CO 0.57 -0.30 0.00 -1.20 -1.32 0.00 0.00 176.35 174.09 2g46 n SER 112 N -1.43 -0.37 -4.50 3.68 7.64 -1.26 -4.71 113.62 112.67 2g46 n SER 112 Ca -0.02 -0.06 -0.50 0.00 1.01 0.00 0.00 58.87 59.30 2g46 n SER 112 Cb 0.55 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.68 2g46 n SER 112 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 2g46 n ARG 113 N -0.43 1.26 -1.55 1.43 3.00 -1.26 -4.77 116.66 114.34 2g46 n ARG 113 Ca 0.00 0.37 -0.21 0.00 -0.00 0.00 0.00 57.85 58.01 2g46 n ARG 113 Cb 0.00 -2.51 -0.06 0.00 0.00 0.00 0.00 32.46 29.89 2g46 n ARG 113 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.63 175.33 2g46 n PRO 114 N 7.84 0.68 0.07 -0.14 -0.02 -1.26 -4.37 135.00 137.81 2g46 n PRO 114 Ca 0.37 -0.55 0.00 0.00 -2.02 0.00 0.00 63.50 61.30 2g46 n PRO 114 Cb 0.24 -3.51 0.00 0.00 -0.02 0.00 0.00 33.50 30.22 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 8.76 0.00 -2.90 -0.52 1.74 -1.26 -5.12 116.66 117.36 2g46 n ARG 115 Ca 0.45 0.00 -0.01 0.00 -0.77 0.00 0.00 57.85 57.51 2g46 n ARG 115 Cb 0.45 0.00 -0.01 0.00 -1.02 0.00 0.00 32.46 31.88 2g46 n ARG 115 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 2g46 n LEU 116 N -2.96 -5.59 0.00 0.55 7.94 -1.26 -4.91 117.00 110.77 2g46 n LEU 116 Ca 0.00 1.27 0.00 0.00 -1.11 0.00 0.00 56.01 56.17 2g46 n LEU 116 Cb 0.00 -2.43 0.00 0.00 0.53 0.00 0.00 43.42 41.52 2g46 n LEU 116 CO 0.00 -2.87 0.13 0.41 -1.11 0.00 0.00 177.39 173.96 2g46 n THR 117 N 1.56 0.00 0.00 1.96 -1.04 -1.26 -4.84 114.28 110.66 2g46 n THR 117 Ca -0.10 0.77 0.00 0.00 -2.04 0.00 0.00 64.05 62.67 2g46 n THR 117 Cb 0.29 -1.57 0.00 0.00 -1.82 0.00 0.00 70.33 67.23 2g46 n THR 117 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2g46 n GLN 118 N -0.37 0.00 0.00 -2.82 10.64 -1.26 -5.29 117.38 118.28 2g46 n GLN 118 Ca 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 2g46 n GLN 118 Cb 0.00 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.38 2g46 n GLN 118 CO 0.00 0.00 0.00 -1.71 -1.83 0.00 0.00 177.06 173.52