#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 -0.16 0.26 2.03 -0.12 -1.26 -2.96 117.98 115.77 2g46 s PHE 2 Ca 0.00 0.33 0.06 0.00 -0.05 0.00 0.00 56.93 57.27 2g46 s PHE 2 Cb 0.00 0.22 -0.05 0.00 -0.63 0.00 0.00 43.02 42.56 2g46 s PHE 2 CO 0.00 -0.08 -0.06 -0.80 -0.05 0.00 0.00 175.22 174.23 2g46 s ASN 3 N 0.75 2.58 0.64 1.98 0.01 0.78 -4.97 114.94 116.71 2g46 s ASN 3 Ca -0.03 -1.16 0.29 0.00 -0.71 0.00 0.00 52.86 51.25 2g46 s ASN 3 Cb -0.03 -0.13 1.59 0.00 0.41 0.00 0.00 41.25 43.08 2g46 s ASN 3 CO -0.12 -0.34 1.92 0.44 -1.51 0.00 0.00 177.10 177.50 2g46 h ASP 4 N 2.36 0.00 0.21 -1.22 5.19 -2.02 -0.54 116.42 120.40 2g46 h ASP 4 Ca -0.39 0.00 -0.31 0.00 -0.62 0.00 0.00 57.03 55.71 2g46 h ASP 4 Cb 1.23 0.00 0.03 0.00 0.18 0.00 0.00 39.33 40.77 2g46 h ASP 4 CO 0.66 0.00 -1.42 0.03 -3.12 0.00 0.00 179.24 175.39 2g46 h ARG 5 N 0.00 0.45 -3.84 3.56 2.47 -1.95 -3.40 114.38 111.68 2g46 h ARG 5 Ca 0.07 -0.77 -0.23 0.00 -1.26 0.00 0.00 59.98 57.79 2g46 h ARG 5 Cb 0.80 0.29 -0.05 0.00 -1.65 0.00 0.00 29.97 29.36 2g46 h ARG 5 CO -0.00 1.37 -0.05 0.14 0.56 0.00 0.00 179.97 181.99 2g46 s VAL 6 N -2.56 0.00 0.21 2.04 -7.23 -0.21 -2.85 120.40 109.80 2g46 s VAL 6 Ca -0.12 -1.43 -0.13 0.00 -1.81 0.00 0.00 61.98 58.48 2g46 s VAL 6 Cb 0.04 -2.78 0.01 0.00 0.56 0.00 0.00 36.38 34.20 2g46 s VAL 6 CO 0.90 0.00 0.44 -0.51 -0.31 0.00 0.00 175.10 175.62 2g46 s ILE 7 N -2.66 0.03 -0.22 -0.62 2.07 -1.03 -0.16 121.20 118.61 2g46 s ILE 7 Ca 0.27 -1.18 -0.07 0.00 -1.41 0.00 0.00 60.65 58.25 2g46 s ILE 7 Cb -0.02 -1.88 -0.04 0.00 0.13 0.00 0.00 42.46 40.65 2g46 s ILE 7 CO 0.19 -0.13 0.07 0.54 -1.91 0.00 0.00 174.94 173.71 2g46 s VAL 8 N -3.95 4.59 0.01 4.00 0.11 -1.15 -1.09 120.40 122.92 2g46 s VAL 8 Ca 0.16 -0.09 0.05 0.00 -2.93 0.00 0.00 61.98 59.17 2g46 s VAL 8 Cb 0.00 -3.11 -0.02 0.00 -1.53 0.00 0.00 36.38 31.73 2g46 s VAL 8 CO 0.02 0.40 -0.15 -0.54 -3.33 0.00 0.00 175.10 171.50 2g46 s LYS 9 N 0.98 1.13 -1.16 1.54 1.02 -1.06 -4.82 119.74 117.38 2g46 s LYS 9 Ca 0.04 -0.67 -0.15 0.00 0.02 0.00 0.00 55.97 55.22 2g46 s LYS 9 Cb -0.14 -1.13 -0.02 0.00 -0.52 0.00 0.00 37.83 36.02 2g46 s LYS 9 CO 0.03 0.30 0.78 1.63 -0.92 0.00 0.00 175.35 177.17 2g46 n LYS 10 N 2.30 -1.98 -2.15 1.68 5.02 -0.49 0.30 118.16 122.84 2g46 n LYS 10 Ca -0.16 0.55 -0.09 0.00 -2.02 0.00 0.00 58.31 56.59 2g46 n LYS 10 Cb 0.55 -4.58 0.01 0.00 -0.02 0.00 0.00 35.03 30.98 2g46 n LYS 10 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 2g46 n SER 11 N -2.84 1.37 0.07 4.39 3.41 -1.26 -4.98 113.62 113.79 2g46 n SER 11 Ca -0.13 -1.64 -0.11 0.00 -0.26 0.00 0.00 58.87 56.73 2g46 n SER 11 Cb 0.61 -0.05 -0.05 0.00 -0.26 0.00 0.00 64.21 64.46 2g46 n SER 11 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 2g46 h PRO 12 N 0.00 -0.29 -0.00 4.33 0.11 -1.99 -3.17 132.00 130.98 2g46 h PRO 12 Ca -0.12 0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.01 2g46 h PRO 12 Cb 0.45 0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.63 2g46 h PRO 12 CO 0.18 -0.20 -0.01 1.25 -0.21 0.00 0.00 178.00 179.01 2g46 h LEU 13 N -0.31 0.01 0.00 2.35 6.46 -2.04 -3.50 115.31 118.29 2g46 h LEU 13 Ca 0.04 -0.76 0.00 0.00 -0.12 0.00 0.00 57.88 57.04 2g46 h LEU 13 Cb 0.36 -0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.28 2g46 h LEU 13 CO -0.14 0.77 0.00 0.61 -0.62 0.00 0.00 178.44 179.06 2g46 n GLY 14 N 0.97 0.68 0.00 3.75 0.00 -1.20 -5.13 105.19 104.25 2g46 n GLY 14 Ca -0.09 -1.78 0.00 0.00 0.00 0.00 0.00 46.02 44.15 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 -2.19 3.36 -0.02 0.00 -1.26 -4.30 105.19 100.78 2g46 n GLY 15 Ca 0.00 -1.16 -0.46 0.00 0.00 0.00 0.00 46.02 44.40 2g46 n GLY 15 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2g46 s TYR 16 N -1.38 3.53 0.00 1.61 6.14 -1.25 -1.39 117.35 124.60 2g46 s TYR 16 Ca 0.00 -1.73 0.00 0.00 0.64 0.00 0.00 57.07 55.98 2g46 s TYR 16 Cb 0.00 -3.93 0.00 0.00 0.42 0.00 0.00 41.96 38.45 2g46 s TYR 16 CO 0.00 -1.12 0.00 0.41 0.64 0.00 0.00 175.55 175.48 2g46 n GLY 17 N 4.50 4.50 3.35 8.97 0.00 0.15 -4.21 105.19 122.44 2g46 n GLY 17 Ca 0.12 -2.00 -0.34 0.00 0.00 0.00 0.00 46.02 43.80 2g46 n GLY 17 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2g46 s VAL 18 N -1.13 3.20 0.46 1.61 0.11 -1.18 -2.55 120.40 120.93 2g46 s VAL 18 Ca 0.00 -0.58 -0.03 0.00 -2.93 0.00 0.00 61.98 58.44 2g46 s VAL 18 Cb 0.00 -2.39 -0.02 0.00 -1.53 0.00 0.00 36.38 32.44 2g46 s VAL 18 CO 0.00 0.49 0.72 -0.36 -3.33 0.00 0.00 175.10 172.62 2g46 s PHE 19 N 0.79 3.42 -0.41 1.54 0.40 -0.25 0.60 117.98 124.08 2g46 s PHE 19 Ca -0.03 0.55 0.03 0.00 -0.60 0.00 0.00 56.93 56.87 2g46 s PHE 19 Cb -0.15 -2.28 0.11 0.00 0.51 0.00 0.00 43.02 41.21 2g46 s PHE 19 CO 0.01 -0.29 0.15 0.00 0.70 0.00 0.00 175.22 175.79 2g46 s ALA 20 N -2.64 3.08 0.47 5.36 0.00 0.59 -2.47 121.76 126.15 2g46 s ALA 20 Ca 0.47 -2.78 0.41 0.00 0.00 0.00 0.00 51.96 50.05 2g46 s ALA 20 Cb -0.10 -2.12 2.07 0.00 0.00 0.00 0.00 23.12 22.97 2g46 s ALA 20 CO 0.41 -1.82 2.24 -0.09 0.00 0.00 0.00 175.76 176.51 2g46 h ARG 21 N 7.32 0.00 -7.17 0.00 9.65 -1.79 -2.20 114.38 120.19 2g46 h ARG 21 Ca -0.06 0.00 -0.48 0.00 -1.10 0.00 0.00 59.98 58.34 2g46 h ARG 21 Cb 0.98 0.00 0.09 0.00 -1.39 0.00 0.00 29.97 29.66 2g46 h ARG 21 CO 0.60 0.00 0.13 0.15 2.80 0.00 0.00 179.97 183.65 2g46 s LYS 22 N -3.98 1.44 0.00 0.20 1.02 -1.19 -3.94 119.74 113.29 2g46 s LYS 22 Ca -0.03 -1.23 0.00 0.00 0.02 0.00 0.00 55.97 54.73 2g46 s LYS 22 Cb 0.12 -2.30 0.00 0.00 -0.52 0.00 0.00 37.83 35.13 2g46 s LYS 22 CO 0.46 -1.64 0.00 0.43 -0.92 0.00 0.00 175.35 173.68 2g46 n SER 23 N -2.95 0.00 -4.81 2.83 7.64 0.24 -1.85 113.62 114.72 2g46 n SER 23 Ca 0.17 0.00 -0.22 0.00 1.01 0.00 0.00 58.87 59.83 2g46 n SER 23 Cb 0.61 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.76 2g46 n SER 23 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 2g46 s PHE 24 N -2.00 2.71 0.00 1.43 0.08 -0.70 -4.96 117.98 114.53 2g46 s PHE 24 Ca 0.00 -0.47 0.00 0.00 0.12 0.00 0.00 56.93 56.58 2g46 s PHE 24 Cb 0.00 -1.97 0.00 0.00 -0.57 0.00 0.00 43.02 40.48 2g46 s PHE 24 CO 0.00 0.08 0.00 -1.91 -0.10 0.00 0.00 175.22 173.29 2g46 n GLU 25 N -1.37 1.79 -0.00 0.44 2.13 -1.26 -2.34 120.64 120.03 2g46 n GLU 25 Ca 0.00 0.00 0.09 0.00 0.66 0.00 0.00 57.16 57.92 2g46 n GLU 25 Cb 0.62 0.00 0.56 0.00 0.27 0.00 0.00 31.44 32.89 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 -0.56 1.01 -3.11 5.31 4.81 -1.26 -3.15 118.16 121.21 2g46 n LYS 26 Ca 0.00 -0.01 -0.04 0.00 -0.87 0.00 0.00 58.31 57.38 2g46 n LYS 26 Cb 0.00 -1.30 -0.02 0.00 0.02 0.00 0.00 35.03 33.74 2g46 n LYS 26 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 2g46 s GLY 27 N -1.59 -0.98 -0.05 3.14 0.00 -1.17 -4.11 107.32 102.56 2g46 s GLY 27 Ca 0.28 -0.25 -0.16 0.00 0.00 0.00 0.00 44.72 44.59 2g46 s GLY 27 CO 0.22 3.47 0.37 -0.54 0.00 0.00 0.00 173.10 176.62 2g46 s GLU 28 N 1.43 0.67 -0.19 2.90 2.02 -1.26 -4.93 118.70 119.34 2g46 s GLU 28 Ca 0.21 0.01 -0.23 0.00 0.02 0.00 0.00 54.97 54.97 2g46 s GLU 28 Cb -0.04 0.31 -0.02 0.00 0.10 0.00 0.00 34.13 34.48 2g46 s GLU 28 CO -0.06 -0.17 0.76 -1.17 0.02 0.00 0.00 175.26 174.63 2g46 s LEU 29 N -1.00 4.14 -0.14 1.80 1.98 -1.26 -0.90 118.68 123.30 2g46 s LEU 29 Ca -0.11 1.02 -0.21 0.00 -2.89 0.00 0.00 54.13 51.95 2g46 s LEU 29 Cb -0.04 -3.10 -0.18 0.00 0.66 0.00 0.00 46.19 43.53 2g46 s LEU 29 CO 0.04 -0.37 0.48 0.58 -1.89 0.00 0.00 176.35 175.19 2g46 h VAL 30 N 5.23 1.20 -2.85 1.68 2.07 -0.20 -3.49 116.25 119.90 2g46 h VAL 30 Ca -0.29 -1.97 0.04 0.00 0.82 0.00 0.00 66.70 65.31 2g46 h VAL 30 Cb 1.13 2.33 -0.01 0.00 -1.52 0.00 0.00 31.29 33.21 2g46 h VAL 30 CO 0.82 0.41 0.36 -1.83 0.02 0.00 0.00 177.57 177.34 2g46 s GLU 31 N -2.10 1.92 -0.12 1.57 -1.05 -1.24 -5.01 118.70 112.67 2g46 s GLU 31 Ca -0.16 -1.21 -0.30 0.00 -0.15 0.00 0.00 54.97 53.14 2g46 s GLU 31 Cb -0.01 0.55 0.10 0.00 -0.44 0.00 0.00 34.13 34.33 2g46 s GLU 31 CO 0.50 -0.90 0.87 -1.83 0.95 0.00 0.00 175.26 174.86 2g46 s GLU 32 N -2.45 0.78 0.00 -4.83 -1.05 -1.26 -1.01 118.70 108.88 2g46 s GLU 32 Ca 0.17 0.22 0.00 0.00 -0.15 0.00 0.00 54.97 55.21 2g46 s GLU 32 Cb -0.04 0.37 0.00 0.00 -0.44 0.00 0.00 34.13 34.01 2g46 s GLU 32 CO 0.09 -0.24 0.00 0.00 0.95 0.00 0.00 175.26 176.07 2g46 n LEU 34 N 0.00 0.00 -4.13 0.00 4.77 -1.26 -2.04 117.00 114.34 2g46 n LEU 34 Ca 0.00 -2.49 -0.13 0.00 -0.03 0.00 0.00 56.01 53.36 2g46 n LEU 34 Cb 0.00 -0.06 -0.07 0.00 -2.33 0.00 0.00 43.42 40.96 2g46 n LEU 34 CO 0.00 -0.56 0.00 0.00 -1.33 0.00 0.00 177.39 175.51 2g46 s ILE 36 N -3.65 2.69 -0.56 0.00 1.01 -1.12 -4.78 121.20 114.79 2g46 s ILE 36 Ca 0.33 -0.76 -0.17 0.00 0.00 0.00 0.00 60.65 60.04 2g46 s ILE 36 Cb 0.02 -2.14 0.12 0.00 0.01 0.00 0.00 42.46 40.47 2g46 s ILE 36 CO 0.16 0.51 0.58 -0.69 0.00 0.00 0.00 174.94 175.51 2g46 s VAL 37 N 0.84 5.05 0.11 2.92 1.01 -1.26 0.10 120.40 129.17 2g46 s VAL 37 Ca -0.05 -1.29 0.00 0.00 0.00 0.00 0.00 61.98 60.65 2g46 s VAL 37 Cb -0.15 -4.40 0.00 0.00 0.00 0.00 0.00 36.38 31.83 2g46 s VAL 37 CO -0.00 -0.97 0.00 0.54 0.00 0.00 0.00 175.10 174.67 2g46 n ARG 38 N 5.70 1.71 -0.61 2.72 5.12 0.07 -4.97 116.66 126.40 2g46 n ARG 38 Ca -0.12 -0.79 0.00 0.00 -1.93 0.00 0.00 57.85 55.01 2g46 n ARG 38 Cb 0.41 0.20 0.00 0.00 -1.16 0.00 0.00 32.46 31.91 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 -0.30 -1.18 0.00 -1.55 8.25 -1.25 -1.44 115.22 117.75 2g46 n HIS 39 Ca -0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.42 2g46 n HIS 39 Cb 0.14 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.25 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 -1.29 0.00 0.00 0.41 3.02 -1.26 -4.02 115.26 112.11 2g46 n ASN 40 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 2g46 n ASN 40 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 2g46 n ASN 40 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2g46 n ASP 41 N 0.00 0.00 -0.34 6.41 8.00 -1.26 -2.34 116.55 127.02 2g46 n ASP 41 Ca 0.00 0.00 0.23 0.00 0.71 0.00 0.00 54.79 55.73 2g46 n ASP 41 Cb 0.00 0.00 0.46 0.00 -0.02 0.00 0.00 41.12 41.56 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 6.78 0.54 -0.50 -2.24 3.32 -1.99 0.20 116.42 122.53 2g46 h ASP 42 Ca 0.00 0.18 0.04 0.00 0.02 0.00 0.00 57.03 57.27 2g46 h ASP 42 Cb 0.00 0.12 -0.04 0.00 0.22 0.00 0.00 39.33 39.63 2g46 h ASP 42 CO 0.00 -0.09 0.27 -0.25 -1.72 0.00 0.00 179.24 177.44 2g46 h TRP 43 N 0.37 0.49 0.00 4.55 2.91 -1.70 0.18 115.95 122.76 2g46 h TRP 43 Ca 0.72 0.02 -0.02 0.00 1.13 0.00 0.00 58.89 60.74 2g46 h TRP 43 Cb 1.59 -0.15 -0.00 0.00 -0.51 0.00 0.00 29.16 30.09 2g46 h TRP 43 CO -0.01 0.25 -0.07 0.78 -1.03 0.00 0.00 178.44 178.36 2g46 h GLY 44 N 0.52 0.00 0.00 2.65 0.00 -0.70 -1.90 103.07 103.64 2g46 h GLY 44 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.55 2g46 h GLY 44 CO -0.14 0.00 -0.19 -0.84 0.00 0.00 0.00 176.54 175.37 2g46 h THR 45 N 0.00 0.00 0.35 4.70 2.02 -0.47 -3.27 112.91 116.24 2g46 h THR 45 Ca -0.00 -0.65 -0.00 0.00 0.77 0.00 0.00 66.41 66.53 2g46 h THR 45 Cb 0.46 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 66.85 2g46 h THR 45 CO 0.01 0.00 -0.30 0.00 0.37 0.00 0.00 175.52 175.60 2g46 h ALA 46 N -1.35 -0.66 -0.50 6.16 0.00 -0.81 -2.79 119.26 119.31 2g46 h ALA 46 Ca 0.00 -0.11 -0.53 0.00 0.00 0.00 0.00 54.91 54.27 2g46 h ALA 46 Cb 0.19 0.41 -0.15 0.00 0.00 0.00 0.00 17.79 18.24 2g46 h ALA 46 CO 0.00 -0.90 0.83 1.28 0.00 0.00 0.00 179.25 180.46 2g46 n LEU 47 N -5.42 6.76 -3.22 0.00 7.99 -0.72 -4.75 117.00 117.64 2g46 n LEU 47 Ca -0.10 -4.18 -0.37 0.00 -0.01 0.00 0.00 56.01 51.36 2g46 n LEU 47 Cb 0.32 -1.28 -0.02 0.00 -0.11 0.00 0.00 43.42 42.33 2g46 n LEU 47 CO 0.30 1.81 2.19 -1.84 -1.51 0.00 0.00 177.39 178.34 2g46 n GLU 48 N 1.25 4.03 0.00 3.23 -0.00 -1.05 -4.25 120.64 123.85 2g46 n GLU 48 Ca 0.52 -3.16 0.00 0.00 -0.00 0.00 0.00 57.16 54.52 2g46 n GLU 48 Cb 0.51 -2.50 0.00 0.00 -0.00 0.00 0.00 31.44 29.45 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 1.51 0.00 -2.34 -1.84 8.00 -1.26 -4.95 116.55 115.68 2g46 n ASP 49 Ca 0.59 0.00 -0.24 0.00 0.71 0.00 0.00 54.79 55.85 2g46 n ASP 49 Cb 0.33 0.14 -0.05 0.00 -0.02 0.00 0.00 41.12 41.52 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 -1.48 1.44 -4.00 1.24 4.01 -1.26 -4.85 117.16 112.26 2g46 n TYR 50 Ca 0.00 -1.90 -0.33 0.00 -0.16 0.00 0.00 57.90 55.50 2g46 n TYR 50 Cb 0.00 -1.32 -0.14 0.00 -0.31 0.00 0.00 39.34 37.56 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 -1.92 3.69 -0.54 7.72 2.96 -1.26 -2.51 118.68 126.82 2g46 s LEU 51 Ca 0.55 -1.37 -0.22 0.00 -0.22 0.00 0.00 54.13 52.87 2g46 s LEU 51 Cb 0.35 -1.62 0.05 0.00 0.50 0.00 0.00 46.19 45.47 2g46 s LEU 51 CO -0.16 -0.23 0.82 -0.36 -1.32 0.00 0.00 176.35 175.10 2g46 s PHE 52 N 1.16 2.88 0.31 5.38 0.40 0.10 -4.82 117.98 123.39 2g46 s PHE 52 Ca -0.07 -0.26 0.03 0.00 -0.60 0.00 0.00 56.93 56.03 2g46 s PHE 52 Cb -0.20 -3.88 -0.03 0.00 0.51 0.00 0.00 43.02 39.42 2g46 s PHE 52 CO -0.03 -1.25 0.47 -1.54 0.70 0.00 0.00 175.22 173.56 2g46 s SER 53 N 2.85 6.23 0.11 1.36 1.04 -1.26 -2.14 113.70 121.89 2g46 s SER 53 Ca 0.24 0.19 0.01 0.00 0.48 0.00 0.00 55.95 56.87 2g46 s SER 53 Cb -0.16 -1.82 -0.00 0.00 0.10 0.00 0.00 66.02 64.14 2g46 s SER 53 CO 0.16 -0.25 0.03 -1.14 0.98 0.00 0.00 173.24 173.01 2g46 n ARG 54 N -1.63 1.06 -2.71 4.02 0.63 -0.52 -4.89 116.66 112.61 2g46 n ARG 54 Ca -0.06 -0.87 -0.43 0.00 -0.92 0.00 0.00 57.85 55.58 2g46 n ARG 54 Cb 0.57 0.41 -0.01 0.00 0.45 0.00 0.00 32.46 33.88 2g46 n ARG 54 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 2g46 s LYS 55 N -2.40 3.83 0.00 -0.14 1.02 -1.26 -2.85 119.74 117.94 2g46 s LYS 55 Ca 0.04 -1.83 0.00 0.00 0.02 0.00 0.00 55.97 54.20 2g46 s LYS 55 Cb 0.00 -5.28 0.00 0.00 -0.52 0.00 0.00 37.83 32.03 2g46 s LYS 55 CO 0.03 -2.06 0.00 -1.71 -0.92 0.00 0.00 175.35 170.69 2g46 n ASN 56 N 7.64 0.00 -0.81 2.83 2.85 -1.26 -5.13 115.26 121.37 2g46 n ASN 56 Ca 0.37 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.84 2g46 n ASN 56 Cb 0.47 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.49 2g46 n ASN 56 CO 0.00 0.00 0.00 1.15 -2.11 0.00 0.00 177.26 176.30 2g46 n MET 57 N 0.00 0.00 -4.38 1.20 0.00 -1.13 -4.96 117.12 107.85 2g46 n MET 57 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 57.70 57.49 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 -0.43 1.22 0.28 3.17 0.01 -0.52 -1.44 113.70 115.99 2g46 s SER 58 Ca 0.00 -0.19 0.05 0.00 1.31 0.00 0.00 55.95 57.12 2g46 s SER 58 Cb 0.00 -0.37 -0.06 0.00 0.21 0.00 0.00 66.02 65.80 2g46 s SER 58 CO 0.00 0.05 -0.01 0.00 0.41 0.00 0.00 173.24 173.70 2g46 s ALA 59 N 0.30 2.21 0.50 1.44 0.00 -0.91 -0.75 121.76 124.55 2g46 s ALA 59 Ca -0.05 -1.92 0.04 0.00 0.00 0.00 0.00 51.96 50.03 2g46 s ALA 59 Cb -0.10 0.42 0.03 0.00 0.00 0.00 0.00 23.12 23.47 2g46 s ALA 59 CO 0.01 -0.20 0.70 1.41 0.00 0.00 0.00 175.76 177.68 2g46 s MET 60 N -3.82 2.62 -0.16 0.00 1.75 0.11 0.00 119.30 119.82 2g46 s MET 60 Ca 0.31 -1.00 -0.17 0.00 -1.25 0.00 0.00 55.69 53.59 2g46 s MET 60 Cb 0.06 -2.60 -0.14 0.00 2.84 0.00 0.00 34.83 35.00 2g46 s MET 60 CO 0.12 -0.56 0.20 0.00 -0.65 0.00 0.00 175.02 174.13 2g46 h ALA 61 N 0.28 0.10 0.00 4.11 0.00 -1.80 -2.97 119.26 118.99 2g46 h ALA 61 Ca -0.41 -0.70 0.00 0.00 0.00 0.00 0.00 54.91 53.80 2g46 h ALA 61 Cb 1.29 0.41 0.00 0.00 0.00 0.00 0.00 17.79 19.49 2g46 h ALA 61 CO 0.49 0.40 0.00 1.47 0.00 0.00 0.00 179.25 181.60 2g46 n LEU 62 N -4.57 0.00 0.00 0.00 -0.00 -1.25 -3.88 117.00 107.30 2g46 n LEU 62 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.85 2g46 n LEU 62 Cb 0.43 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.85 2g46 n LEU 62 CO 0.17 0.00 0.00 0.61 -0.00 0.00 0.00 177.39 178.17 2g46 n GLY 63 N 0.00 -1.99 2.23 1.47 0.00 -1.22 -4.65 105.19 101.03 2g46 n GLY 63 Ca 0.00 -1.06 -0.29 0.00 0.00 0.00 0.00 46.02 44.67 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 1.55 -0.03 1.61 3.01 -1.26 -4.35 117.46 118.00 2g46 n PHE 64 Ca 0.00 -2.49 -0.22 0.00 1.01 0.00 0.00 57.45 55.75 2g46 n PHE 64 Cb 0.00 -2.14 -0.13 0.00 -0.01 0.00 0.00 39.48 37.20 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 6.41 0.22 0.88 1.37 0.00 -1.88 -3.38 103.07 106.70 2g46 h GLY 65 Ca 0.63 -0.55 -0.01 0.00 0.00 0.00 0.00 47.33 47.39 2g46 h GLY 65 CO 1.25 0.48 0.07 0.00 0.00 0.00 0.00 176.54 178.35 2g46 h ALA 66 N -0.11 0.25 -0.21 3.60 0.00 -1.88 -2.51 119.26 118.40 2g46 h ALA 66 Ca -0.39 -0.11 0.06 0.00 0.00 0.00 0.00 54.91 54.47 2g46 h ALA 66 Cb 1.80 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.51 2g46 h ALA 66 CO -0.00 -0.16 0.57 -0.84 0.00 0.00 0.00 179.25 178.82 2g46 h ILE 67 N 0.15 0.10 -1.25 0.00 -0.00 -1.75 -3.41 117.51 111.35 2g46 h ILE 67 Ca 0.06 0.00 -0.69 0.00 -0.00 0.00 0.00 64.86 64.24 2g46 h ILE 67 Cb 0.19 0.48 -0.01 0.00 -0.00 0.00 0.00 36.82 37.47 2g46 h ILE 67 CO -0.00 0.00 1.26 0.49 -0.00 0.00 0.00 178.15 179.89 2g46 n PHE 68 N -3.07 1.77 -2.68 0.16 3.72 -0.95 -3.74 117.46 112.66 2g46 n PHE 68 Ca 0.03 0.33 0.00 0.00 -0.05 0.00 0.00 57.45 57.76 2g46 n PHE 68 Cb 0.67 -2.52 0.00 0.00 -0.94 0.00 0.00 39.48 36.69 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 8.35 0.20 -4.85 4.37 3.02 -1.26 -4.80 115.26 120.29 2g46 n ASN 69 Ca 0.36 -0.58 -0.37 0.00 -0.03 0.00 0.00 54.58 53.96 2g46 n ASN 69 Cb 0.20 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.31 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 1.26 3.69 -0.18 3.10 2.46 -1.26 -3.25 115.29 121.11 2g46 s HIS 70 Ca 0.00 0.89 -0.25 0.00 0.47 0.00 0.00 55.06 56.17 2g46 s HIS 70 Cb 0.00 -2.21 0.06 0.00 -0.13 0.00 0.00 32.58 30.30 2g46 s HIS 70 CO 0.00 0.64 0.65 0.45 -2.47 0.00 0.00 174.74 174.01 2g46 s SER 71 N -1.19 -0.66 0.30 9.88 0.15 -1.26 -4.94 113.70 115.97 2g46 s SER 71 Ca 0.24 1.09 0.23 0.00 0.70 0.00 0.00 55.95 58.21 2g46 s SER 71 Cb -0.16 1.06 0.19 0.00 -1.71 0.00 0.00 66.02 65.41 2g46 s SER 71 CO 0.13 -0.35 1.32 0.50 1.20 0.00 0.00 173.24 176.03 2g46 h LYS 72 N 4.41 0.00 -2.55 5.44 1.63 -1.99 -3.39 116.57 120.12 2g46 h LYS 72 Ca -0.28 0.00 -0.60 0.00 -0.85 0.00 0.00 60.65 58.91 2g46 h LYS 72 Cb 1.16 0.00 -0.41 0.00 -0.60 0.00 0.00 32.23 32.37 2g46 h LYS 72 CO 0.19 0.00 -0.66 -0.40 -3.45 0.00 0.00 179.45 175.13 2g46 n ASP 73 N -2.80 2.79 -4.55 4.20 5.75 -1.26 -5.05 116.55 115.63 2g46 n ASP 73 Ca 0.02 -3.19 -0.42 0.00 -0.01 0.00 0.00 54.79 51.19 2g46 n ASP 73 Cb 0.53 -0.69 -0.04 0.00 -1.03 0.00 0.00 41.12 39.88 2g46 n ASP 73 CO 0.00 0.00 0.00 -2.65 -0.11 0.00 0.00 177.20 174.44 2g46 n PRO 74 N 1.51 1.40 0.06 0.11 -0.02 -1.26 -4.80 135.00 132.01 2g46 n PRO 74 Ca 0.25 0.28 0.13 0.00 -2.02 0.00 0.00 63.50 62.13 2g46 n PRO 74 Cb 0.40 -3.11 0.30 0.00 -0.02 0.00 0.00 33.50 31.07 2g46 n PRO 74 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 2g46 n ASN 75 N 12.88 0.65 -3.85 2.55 6.94 -1.26 -4.77 115.26 128.40 2g46 n ASN 75 Ca 0.36 0.27 -0.12 0.00 -0.02 0.00 0.00 54.58 55.07 2g46 n ASN 75 Cb 0.43 -0.20 -0.13 0.00 -2.36 0.00 0.00 39.78 37.52 2g46 n ASN 75 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2g46 s ALA 76 N -3.11 -0.21 0.36 -2.53 0.00 -1.26 -1.72 121.76 113.29 2g46 s ALA 76 Ca 0.09 0.18 0.02 0.00 0.00 0.00 0.00 51.96 52.26 2g46 s ALA 76 Cb 0.14 -0.12 0.02 0.00 0.00 0.00 0.00 23.12 23.17 2g46 s ALA 76 CO 0.66 -0.06 0.19 0.54 0.00 0.00 0.00 175.76 177.09 2g46 n ARG 77 N 2.85 1.02 -4.42 0.00 1.74 -0.54 -4.62 116.66 112.70 2g46 n ARG 77 Ca -0.14 -2.35 -0.21 0.00 -0.77 0.00 0.00 57.85 54.39 2g46 n ARG 77 Cb 0.59 0.38 -0.10 0.00 -1.02 0.00 0.00 32.46 32.30 2g46 n ARG 77 CO 0.00 0.00 0.00 -3.38 -1.52 0.00 0.00 177.63 172.73 2g46 s HIS 78 N -1.94 1.97 0.08 -1.55 -3.43 -1.26 -1.84 115.29 107.31 2g46 s HIS 78 Ca 0.14 -0.56 0.03 0.00 -0.80 0.00 0.00 55.06 53.87 2g46 s HIS 78 Cb -0.01 -0.99 -0.03 0.00 -1.43 0.00 0.00 32.58 30.12 2g46 s HIS 78 CO 0.09 0.43 -0.09 -2.00 -2.00 0.00 0.00 174.74 171.17 2g46 s GLU 79 N -3.64 0.73 -0.01 -0.38 2.56 0.62 -4.90 118.70 113.68 2g46 s GLU 79 Ca 0.27 -1.05 0.03 0.00 0.00 0.00 0.00 54.97 54.23 2g46 s GLU 79 Cb 0.00 -0.40 -0.01 0.00 2.00 0.00 0.00 34.13 35.72 2g46 s GLU 79 CO 0.11 0.06 -0.10 -1.17 -0.56 0.00 0.00 175.26 173.60 2g46 s LEU 80 N -2.23 2.02 0.00 2.70 2.96 -1.26 -0.72 118.68 122.14 2g46 s LEU 80 Ca 0.01 -0.18 0.00 0.00 -0.22 0.00 0.00 54.13 53.74 2g46 s LEU 80 Cb -0.04 -0.51 0.00 0.00 0.50 0.00 0.00 46.19 46.14 2g46 s LEU 80 CO -0.01 0.12 0.00 0.35 -1.32 0.00 0.00 176.35 175.49 2g46 n THR 81 N 2.84 0.00 -2.92 3.68 -2.24 -0.78 -4.96 114.28 109.90 2g46 n THR 81 Ca -0.14 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.21 2g46 n THR 81 Cb 0.57 -1.67 -0.05 0.00 -2.10 0.00 0.00 70.33 67.08 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 -3.67 3.24 0.00 6.98 0.00 -1.26 -3.80 121.76 123.26 2g46 s ALA 82 Ca 0.00 -1.15 0.00 0.00 0.00 0.00 0.00 51.96 50.81 2g46 s ALA 82 Cb 0.00 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 19.54 2g46 s ALA 82 CO 0.00 -2.13 0.00 0.41 0.00 0.00 0.00 175.76 174.04 2g46 n GLY 83 N 5.05 1.34 2.87 0.00 0.00 -1.26 -4.69 105.19 108.50 2g46 n GLY 83 Ca 0.02 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.56 -0.07 0.99 4.77 -1.25 -4.80 117.00 115.08 2g46 n LEU 84 Ca 0.00 -0.10 -0.07 0.00 -0.03 0.00 0.00 56.01 55.81 2g46 n LEU 84 Cb 0.00 -2.29 -0.02 0.00 -2.33 0.00 0.00 43.42 38.77 2g46 n LEU 84 CO 0.00 0.03 -0.52 0.29 -1.33 0.00 0.00 177.39 175.86 2g46 n LYS 85 N -3.35 0.40 -3.52 3.23 4.76 -1.26 -4.16 118.16 114.27 2g46 n LYS 85 Ca -0.10 0.16 -0.21 0.00 -2.87 0.00 0.00 58.31 55.29 2g46 n LYS 85 Cb 0.59 -1.21 -0.01 0.00 -1.84 0.00 0.00 35.03 32.56 2g46 n LYS 85 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 2g46 s ARG 86 N -2.47 3.29 -0.05 1.97 3.52 -1.26 0.16 118.95 124.12 2g46 s ARG 86 Ca -0.22 -0.68 -0.16 0.00 -0.13 0.00 0.00 55.73 54.54 2g46 s ARG 86 Cb 0.03 -2.76 0.03 0.00 -1.56 0.00 0.00 34.95 30.69 2g46 s ARG 86 CO 0.33 0.14 0.36 -1.64 -0.81 0.00 0.00 175.30 173.67 2g46 s MET 87 N -4.22 0.65 0.31 5.12 -1.94 -0.87 -1.87 119.30 116.48 2g46 s MET 87 Ca 0.41 0.02 0.03 0.00 -1.71 0.00 0.00 55.69 54.43 2g46 s MET 87 Cb -0.09 0.29 -0.05 0.00 2.01 0.00 0.00 34.83 36.99 2g46 s MET 87 CO 0.33 -0.16 0.10 1.03 -0.01 0.00 0.00 175.02 176.30 2g46 s ARG 88 N -0.95 1.59 -0.11 2.03 0.52 0.10 -1.96 118.95 120.17 2g46 s ARG 88 Ca -0.10 -1.90 -0.02 0.00 -0.52 0.00 0.00 55.73 53.19 2g46 s ARG 88 Cb -0.04 -0.48 0.04 0.00 0.52 0.00 0.00 34.95 34.99 2g46 s ARG 88 CO 0.04 -0.31 0.02 0.42 0.02 0.00 0.00 175.30 175.48 2g46 s ILE 89 N -3.51 0.36 0.43 1.52 1.01 -0.18 -0.28 121.20 120.56 2g46 s ILE 89 Ca 0.35 -0.09 0.07 0.00 0.00 0.00 0.00 60.65 60.98 2g46 s ILE 89 Cb 0.07 -0.67 -0.02 0.00 0.01 0.00 0.00 42.46 41.85 2g46 s ILE 89 CO 0.15 0.07 0.36 -0.36 0.00 0.00 0.00 174.94 175.16 2g46 s PHE 90 N 1.96 2.55 -0.70 3.97 0.08 -0.77 0.56 117.98 125.64 2g46 s PHE 90 Ca 0.03 -0.55 -0.02 0.00 0.12 0.00 0.00 56.93 56.51 2g46 s PHE 90 Cb -0.14 -2.12 0.18 0.00 -0.57 0.00 0.00 43.02 40.37 2g46 s PHE 90 CO -0.06 -0.13 0.53 0.95 -0.10 0.00 0.00 175.22 176.40 2g46 s THR 91 N -2.53 3.84 0.62 0.64 -4.23 -0.08 -1.47 115.64 112.43 2g46 s THR 91 Ca 0.46 -3.26 0.28 0.00 -1.18 0.00 0.00 61.69 57.99 2g46 s THR 91 Cb -0.02 -3.47 0.33 0.00 1.34 0.00 0.00 72.50 70.69 2g46 s THR 91 CO 0.27 -0.94 1.86 0.16 -0.54 0.00 0.00 174.62 175.43 2g46 h ILE 92 N 4.92 0.20 -3.89 2.99 3.07 -1.66 -3.10 117.51 120.05 2g46 h ILE 92 Ca 0.04 0.00 -0.37 0.00 1.55 0.00 0.00 64.86 66.08 2g46 h ILE 92 Cb 0.91 0.60 -0.21 0.00 -0.27 0.00 0.00 36.82 37.85 2g46 h ILE 92 CO 0.74 0.00 -0.76 -0.54 -1.05 0.00 0.00 178.15 176.54 2g46 s LYS 93 N -4.39 0.78 0.48 0.16 -0.14 -0.70 -4.71 119.74 111.22 2g46 s LYS 93 Ca -0.04 -0.97 -0.24 0.00 -1.36 0.00 0.00 55.97 53.37 2g46 s LYS 93 Cb 0.12 -0.68 -0.07 0.00 -1.68 0.00 0.00 37.83 35.52 2g46 s LYS 93 CO 0.42 0.14 1.40 -2.14 -0.76 0.00 0.00 175.35 174.41 2g46 s PRO 94 N -1.93 3.55 -0.00 -1.68 0.02 -1.19 -4.48 135.00 129.28 2g46 s PRO 94 Ca -0.02 2.34 0.06 0.00 0.02 0.00 0.00 61.00 63.40 2g46 s PRO 94 Cb -0.09 -2.54 -0.02 0.00 0.02 0.00 0.00 34.50 31.88 2g46 s PRO 94 CO 0.02 -0.90 -0.18 0.42 -0.33 0.00 0.00 177.00 176.02 2g46 s ILE 95 N -1.24 1.43 0.32 2.83 1.01 -0.99 -4.93 121.20 119.63 2g46 s ILE 95 Ca 0.64 -0.84 0.06 0.00 0.00 0.00 0.00 60.65 60.51 2g46 s ILE 95 Cb -0.42 -1.20 -0.02 0.00 0.01 0.00 0.00 42.46 40.83 2g46 s ILE 95 CO 0.53 0.35 0.45 0.00 0.00 0.00 0.00 174.94 176.27 2g46 s ALA 96 N -0.50 4.11 0.02 9.38 0.00 -1.24 0.81 121.76 134.35 2g46 s ALA 96 Ca 0.07 -1.36 -0.30 0.00 0.00 0.00 0.00 51.96 50.37 2g46 s ALA 96 Cb -0.07 -1.73 -0.08 0.00 0.00 0.00 0.00 23.12 21.24 2g46 s ALA 96 CO -0.00 0.02 1.77 0.42 0.00 0.00 0.00 175.76 177.97 2g46 s ILE 97 N -2.15 3.20 0.00 0.00 1.01 -0.77 -3.21 121.20 119.28 2g46 s ILE 97 Ca 0.42 0.38 0.00 0.00 0.00 0.00 0.00 60.65 61.45 2g46 s ILE 97 Cb -0.09 -3.25 0.00 0.00 0.01 0.00 0.00 42.46 39.13 2g46 s ILE 97 CO 0.31 -0.02 0.00 0.61 0.00 0.00 0.00 174.94 175.84 2g46 n GLY 98 N 4.25 1.13 3.67 6.18 0.00 -0.85 -4.95 105.19 114.62 2g46 n GLY 98 Ca 0.18 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.93 2g46 n GLY 98 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2g46 s GLU 99 N -0.11 2.07 -0.16 1.61 0.41 -1.09 -4.96 118.70 116.48 2g46 s GLU 99 Ca 0.00 -2.02 -0.01 0.00 -0.41 0.00 0.00 54.97 52.54 2g46 s GLU 99 Cb 0.00 -1.77 -0.01 0.00 -1.78 0.00 0.00 34.13 30.57 2g46 s GLU 99 CO 0.00 -0.09 -0.13 -2.00 -0.49 0.00 0.00 175.26 172.55 2g46 s GLU 100 N -3.80 3.30 -0.20 1.61 2.12 -1.26 -0.30 118.70 120.17 2g46 s GLU 100 Ca 0.36 -0.71 -0.14 0.00 0.36 0.00 0.00 54.97 54.85 2g46 s GLU 100 Cb 0.07 -2.69 -0.04 0.00 0.26 0.00 0.00 34.13 31.73 2g46 s GLU 100 CO 0.19 0.05 0.29 0.42 -0.54 0.00 0.00 175.26 175.67 2g46 s ILE 101 N 0.77 5.29 0.35 -3.70 1.01 0.20 -4.84 121.20 120.27 2g46 s ILE 101 Ca -0.05 0.50 -0.13 0.00 0.00 0.00 0.00 60.65 60.98 2g46 s ILE 101 Cb -0.15 -3.63 0.03 0.00 0.01 0.00 0.00 42.46 38.72 2g46 s ILE 101 CO 0.01 0.33 0.67 0.42 0.00 0.00 0.00 174.94 176.37 2g46 s THR 102 N 0.90 0.00 0.05 2.92 -4.23 -1.26 -3.09 115.64 110.93 2g46 s THR 102 Ca 0.15 -1.20 -0.11 0.00 -1.18 0.00 0.00 61.69 59.35 2g46 s THR 102 Cb -0.14 -2.63 0.01 0.00 1.34 0.00 0.00 72.50 71.08 2g46 s THR 102 CO 0.05 0.00 0.23 0.27 -0.54 0.00 0.00 174.62 174.63 2g46 s ILE 103 N -2.89 0.11 0.00 2.99 -5.25 -1.20 -4.39 121.20 110.57 2g46 s ILE 103 Ca 0.19 -0.87 0.00 0.00 -0.99 0.00 0.00 60.65 58.99 2g46 s ILE 103 Cb -0.04 -1.00 0.00 0.00 2.95 0.00 0.00 42.46 44.37 2g46 s ILE 103 CO 0.13 -0.48 0.00 -0.24 -1.79 0.00 0.00 174.94 172.56 2g46 n SER 104 N 0.50 0.00 0.01 4.36 2.88 -1.26 -4.47 113.62 115.63 2g46 n SER 104 Ca -0.18 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.36 2g46 n SER 104 Cb 0.60 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.06 2g46 n SER 104 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 2g46 n TYR 105 N 0.00 -0.12 -0.52 0.66 4.01 -1.26 -4.99 117.16 114.94 2g46 n TYR 105 Ca 0.00 0.02 0.00 0.00 -0.16 0.00 0.00 57.90 57.76 2g46 n TYR 105 Cb 0.00 0.40 0.00 0.00 -0.31 0.00 0.00 39.34 39.43 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 1.91 -1.29 0.32 2.72 0.00 -1.26 -4.87 105.19 102.73 2g46 n GLY 106 Ca 0.00 -1.54 -0.07 0.00 0.00 0.00 0.00 46.02 44.41 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 1.05 0.89 1.61 3.04 -2.02 -3.21 116.42 117.78 2g46 h ASP 107 Ca 0.00 -0.21 -0.04 0.00 -3.24 0.00 0.00 57.03 53.54 2g46 h ASP 107 Cb 0.00 -0.28 0.01 0.00 -1.04 0.00 0.00 39.33 38.02 2g46 h ASP 107 CO 0.00 0.98 -0.43 0.44 -2.04 0.00 0.00 179.24 178.20 2g46 h ASP 108 N 1.07 -1.01 -2.59 4.15 3.32 -2.07 -3.38 116.42 115.91 2g46 h ASP 108 Ca 0.23 0.03 -0.55 0.00 0.02 0.00 0.00 57.03 56.77 2g46 h ASP 108 Cb 0.31 0.26 -0.03 0.00 0.22 0.00 0.00 39.33 40.08 2g46 h ASP 108 CO -0.01 -0.72 1.26 -0.31 -1.72 0.00 0.00 179.24 177.74 2g46 s TYR 109 N -5.59 1.88 0.05 4.55 2.02 -1.21 -4.92 117.35 114.13 2g46 s TYR 109 Ca -0.17 0.67 -0.37 0.00 -0.37 0.00 0.00 57.07 56.83 2g46 s TYR 109 Cb 0.02 -4.16 -0.16 0.00 -0.40 0.00 0.00 41.96 37.26 2g46 s TYR 109 CO 0.52 -2.57 1.41 -2.67 -1.57 0.00 0.00 175.55 170.67 2g46 n TRP 110 N 10.69 1.65 0.00 2.71 4.27 -1.26 -4.15 117.44 131.35 2g46 n TRP 110 Ca 0.21 0.59 0.00 0.00 -3.89 0.00 0.00 57.50 54.40 2g46 n TRP 110 Cb 0.49 -2.37 0.00 0.00 -1.36 0.00 0.00 31.31 28.07 2g46 n TRP 110 CO 0.00 0.00 0.00 -0.11 -2.29 0.00 0.00 177.69 175.29 2g46 n LEU 111 N 2.97 0.00 -3.19 5.67 7.94 -1.26 -5.00 117.00 124.13 2g46 n LEU 111 Ca 0.19 0.00 0.05 0.00 -1.11 0.00 0.00 56.01 55.14 2g46 n LEU 111 Cb 0.19 0.00 -0.02 0.00 0.53 0.00 0.00 43.42 44.12 2g46 n LEU 111 CO 0.65 0.00 0.66 -0.94 -1.11 0.00 0.00 177.39 176.65 2g46 s SER 112 N -1.00 -0.36 -0.95 1.96 1.04 -1.26 -5.01 113.70 108.11 2g46 s SER 112 Ca 0.00 0.29 -0.10 0.00 0.48 0.00 0.00 55.95 56.62 2g46 s SER 112 Cb 0.00 1.33 0.00 0.00 0.10 0.00 0.00 66.02 67.45 2g46 s SER 112 CO 0.00 -0.07 0.70 0.54 0.98 0.00 0.00 173.24 175.39 2g46 n ARG 113 N 5.29 -1.27 -1.70 4.02 3.00 -1.26 -4.79 116.66 119.95 2g46 n ARG 113 Ca -0.08 0.77 -0.42 0.00 -0.01 0.00 0.00 57.85 58.11 2g46 n ARG 113 Cb 0.54 -3.75 -0.03 0.00 0.00 0.00 0.00 32.46 29.22 2g46 n ARG 113 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.63 175.49 2g46 s PRO 114 N -5.06 3.98 0.00 5.56 0.02 -1.26 -4.42 135.00 133.82 2g46 s PRO 114 Ca 0.21 2.47 0.00 0.00 0.02 0.00 0.00 61.00 63.70 2g46 s PRO 114 Cb -0.08 -4.18 0.00 0.00 0.02 0.00 0.00 34.50 30.26 2g46 s PRO 114 CO 0.86 -1.13 0.00 2.89 -0.33 0.00 0.00 177.00 179.29 2g46 n ARG 115 N 7.70 0.00 0.00 5.54 1.85 -1.26 -5.15 116.66 125.33 2g46 n ARG 115 Ca 0.21 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 57.06 2g46 n ARG 115 Cb 0.42 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.83 2g46 n ARG 115 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 2g46 n LEU 116 N -0.55 0.00 0.12 2.89 7.99 -1.26 -4.88 117.00 121.31 2g46 n LEU 116 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.00 2g46 n LEU 116 Cb 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.31 2g46 n LEU 116 CO 0.00 -0.49 0.00 0.41 -1.51 0.00 0.00 177.39 175.80 2g46 n THR 117 N -0.35 0.11 -4.14 -5.08 -1.04 -1.26 -5.13 114.28 97.39 2g46 n THR 117 Ca 0.00 0.04 -0.12 0.00 -2.04 0.00 0.00 64.05 61.93 2g46 n THR 117 Cb 0.00 -0.56 -0.11 0.00 -1.82 0.00 0.00 70.33 67.85 2g46 n THR 117 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 2g46 s GLN 118 N -1.89 0.75 0.00 -2.82 -0.21 -1.26 -5.34 119.66 108.89 2g46 s GLN 118 Ca 0.00 -1.12 0.08 0.00 0.02 0.00 0.00 55.36 54.34 2g46 s GLN 118 Cb 0.00 -0.31 0.06 0.00 1.00 0.00 0.00 33.01 33.77 2g46 s GLN 118 CO 0.00 0.02 0.75 -1.71 -2.12 0.00 0.00 175.29 172.24