#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dxb s TRP 10 N 0.00 3.27 -0.67 3.52 0.52 -1.26 -5.05 118.94 119.27 2dxb s TRP 10 Ca 0.00 0.11 -0.25 0.00 0.02 0.00 0.00 56.10 55.98 2dxb s TRP 10 Cb 0.00 -2.09 0.05 0.00 -1.15 0.00 0.00 33.47 30.27 2dxb s TRP 10 CO 0.00 0.17 1.11 0.34 0.02 0.00 0.00 176.95 178.60 2dxb s ASP 11 N 0.37 6.22 0.00 2.95 2.15 -1.26 -4.87 116.67 122.22 2dxb s ASP 11 Ca 0.04 -0.58 0.20 0.00 0.43 0.00 0.00 52.55 52.64 2dxb s ASP 11 Cb -0.12 -2.49 0.70 0.00 -0.30 0.00 0.00 42.92 40.70 2dxb s ASP 11 CO -0.00 -1.58 1.51 0.54 -0.17 0.00 0.00 175.17 175.47 2dxb n ARG 12 N 8.44 1.76 -0.01 4.34 1.74 -1.26 -4.05 116.66 127.62 2dxb n ARG 12 Ca 0.01 -1.14 0.06 0.00 -0.77 0.00 0.00 57.85 56.01 2dxb n ARG 12 Cb 0.47 -1.38 -0.09 0.00 -1.02 0.00 0.00 32.46 30.44 2dxb n ARG 12 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 2dxb n THR 13 N 0.37 0.00 -0.12 0.55 -2.24 -1.26 -4.75 114.28 106.83 2dxb n THR 13 Ca 0.16 -0.27 -0.09 0.00 -2.27 0.00 0.00 64.05 61.58 2dxb n THR 13 Cb 0.33 0.24 -0.04 0.00 -2.10 0.00 0.00 70.33 68.76 2dxb n THR 13 CO 0.00 0.00 0.00 -0.74 -0.57 0.00 0.00 175.07 173.76 2dxb h HIS 14 N 0.00 -1.15 -0.25 4.78 -0.00 -2.00 -1.39 115.15 115.14 2dxb h HIS 14 Ca 0.00 0.07 0.04 0.00 -0.00 0.00 0.00 60.37 60.47 2dxb h HIS 14 Cb 0.53 0.56 -0.03 0.00 -0.00 0.00 0.00 27.41 28.47 2dxb h HIS 14 CO 0.00 -0.43 0.03 1.25 -0.00 0.00 0.00 177.93 178.79 2dxb h HIS 15 N -0.31 0.05 -0.33 5.26 6.17 -1.86 -1.15 115.15 122.98 2dxb h HIS 15 Ca 0.15 0.02 0.01 0.00 0.71 0.00 0.00 60.37 61.25 2dxb h HIS 15 Cb 0.57 0.01 -0.02 0.00 2.52 0.00 0.00 27.41 30.50 2dxb h HIS 15 CO -0.60 0.00 0.21 0.00 0.71 0.00 0.00 177.93 178.25 2dxb h ALA 16 N 1.19 0.42 0.00 5.26 0.00 -1.80 -0.43 119.26 123.90 2dxb h ALA 16 Ca 0.11 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 2dxb h ALA 16 Cb 0.12 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 2dxb h ALA 16 CO -0.16 -0.13 -0.07 0.87 0.00 0.00 0.00 179.25 179.75 2dxb h LYS 17 N 0.43 0.00 0.22 0.00 1.57 -0.99 -0.80 116.57 117.00 2dxb h LYS 17 Ca 0.12 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.56 2dxb h LYS 17 Cb -0.03 0.00 0.03 0.00 0.08 0.00 0.00 32.23 32.30 2dxb h LYS 17 CO -0.04 0.07 -1.58 1.98 -0.57 0.00 0.00 179.45 179.31 2dxb h MET 18 N 0.00 0.47 0.00 3.15 4.05 -0.52 -3.40 114.93 118.68 2dxb h MET 18 Ca -0.00 -0.80 0.00 0.00 -0.28 0.00 0.00 59.70 58.62 2dxb h MET 18 Cb 0.13 0.30 0.00 0.00 -0.80 0.00 0.00 31.60 31.23 2dxb h MET 18 CO 0.01 1.38 -1.28 0.00 0.23 0.00 0.00 176.91 177.26 2dxb n ALA 19 N -2.79 3.61 -1.67 0.39 0.00 -0.24 -4.86 120.51 114.96 2dxb n ALA 19 Ca -0.21 -0.47 -0.47 0.00 0.00 0.00 0.00 53.44 52.29 2dxb n ALA 19 Cb 1.08 -0.64 -0.05 0.00 0.00 0.00 0.00 19.45 19.85 2dxb n ALA 19 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2dxb n THR 20 N -1.73 0.14 -0.88 0.00 -1.04 -0.32 -0.03 114.28 110.42 2dxb n THR 20 Ca 0.00 -0.03 0.00 0.00 -2.04 0.00 0.00 64.05 61.99 2dxb n THR 20 Cb 0.37 -1.54 0.00 0.00 -1.82 0.00 0.00 70.33 67.33 2dxb n THR 20 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2dxb n GLY 21 N 3.58 0.78 0.93 3.41 0.00 -1.26 -4.74 105.19 107.89 2dxb n GLY 21 Ca 0.19 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.18 2dxb n GLY 21 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2dxb n ILE 22 N -2.00 0.18 0.00 -0.61 2.08 0.47 -5.15 119.36 114.33 2dxb n ILE 22 Ca 0.00 -0.01 0.00 0.00 0.56 0.00 0.00 62.75 63.30 2dxb n ILE 22 Cb 0.00 -1.54 0.00 0.00 -0.75 0.00 0.00 39.64 37.35 2dxb n ILE 22 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2dxb n GLY 23 N 2.88 1.68 3.16 7.39 0.00 0.95 -4.63 105.19 116.62 2dxb n GLY 23 Ca -0.04 -1.97 -0.30 0.00 0.00 0.00 0.00 46.02 43.71 2dxb n GLY 23 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2dxb s ASP 24 N 0.00 2.69 -0.02 1.61 -1.08 -1.26 -0.80 116.67 117.81 2dxb s ASP 24 Ca 0.00 -0.48 0.03 0.00 -0.52 0.00 0.00 52.55 51.58 2dxb s ASP 24 Cb 0.00 -1.22 0.13 0.00 -1.46 0.00 0.00 42.92 40.37 2dxb s ASP 24 CO 0.00 0.12 0.93 -0.81 0.52 0.00 0.00 175.17 175.94 2dxb n PRO 25 N 3.59 1.46 -0.16 4.34 -0.04 -1.26 -4.96 135.00 137.96 2dxb n PRO 25 Ca -0.20 -0.50 0.08 0.00 -0.04 0.00 0.00 63.50 62.83 2dxb n PRO 25 Cb 0.53 -1.33 0.38 0.00 -0.04 0.00 0.00 33.50 33.04 2dxb n PRO 25 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 2dxb h GLN 26 N 0.73 0.67 0.00 0.54 7.50 -1.78 -2.04 115.11 120.73 2dxb h GLN 26 Ca 0.00 -0.04 0.00 0.00 0.50 0.00 0.00 58.65 59.11 2dxb h GLN 26 Cb 0.42 -0.15 0.00 0.00 0.05 0.00 0.00 27.48 27.80 2dxb h GLN 26 CO 0.04 0.44 0.00 0.00 -1.50 0.00 0.00 178.83 177.81 2dxb n PHE 28 N -1.92 0.00 -1.59 0.00 3.72 -0.77 -5.01 117.46 111.90 2dxb n PHE 28 Ca 0.00 0.00 -0.50 0.00 -0.05 0.00 0.00 57.45 56.91 2dxb n PHE 28 Cb 0.08 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.58 2dxb n PHE 28 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 2dxb n LYS 29 N 0.76 1.24 0.00 -1.08 4.81 -0.62 -1.77 118.16 121.51 2dxb n LYS 29 Ca 0.11 0.44 0.00 0.00 -0.87 0.00 0.00 58.31 57.99 2dxb n LYS 29 Cb 0.48 -2.01 0.00 0.00 0.02 0.00 0.00 35.03 33.51 2dxb n LYS 29 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2dxb n GLY 30 N 2.26 3.00 0.02 3.14 0.00 -1.26 -4.88 105.19 107.47 2dxb n GLY 30 Ca 0.16 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.28 2dxb n GLY 30 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2dxb n MET 31 N -2.00 0.04 0.02 1.61 2.81 -0.73 -3.07 117.12 115.81 2dxb n MET 31 Ca 0.00 0.21 0.12 0.00 -1.81 0.00 0.00 57.70 56.22 2dxb n MET 31 Cb 0.00 -1.57 0.25 0.00 -0.71 0.00 0.00 33.22 31.20 2dxb n MET 31 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2dxb n ALA 32 N -1.55 3.21 -0.18 3.04 0.00 -1.26 -4.61 120.51 119.15 2dxb n ALA 32 Ca 0.04 -0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.19 2dxb n ALA 32 Cb 0.24 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 18.52 2dxb n ALA 32 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2dxb n GLY 33 N 1.44 0.11 3.76 0.00 0.00 -1.18 -4.79 105.19 104.54 2dxb n GLY 33 Ca 0.05 -0.97 -0.39 0.00 0.00 0.00 0.00 46.02 44.70 2dxb n GLY 33 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2dxb s LYS 34 N 0.00 4.75 0.27 1.61 2.36 -1.26 -4.99 119.74 122.47 2dxb s LYS 34 Ca 0.00 1.46 -0.29 0.00 -2.55 0.00 0.00 55.97 54.59 2dxb s LYS 34 Cb 0.00 -3.11 -0.09 0.00 -1.05 0.00 0.00 37.83 33.58 2dxb s LYS 34 CO 0.00 0.41 0.99 -1.54 1.55 0.00 0.00 175.35 176.76 2dxb s SER 35 N -1.30 7.47 0.43 1.43 1.04 -1.26 -4.94 113.70 116.57 2dxb s SER 35 Ca 0.44 2.02 0.26 0.00 0.48 0.00 0.00 55.95 59.15 2dxb s SER 35 Cb -0.24 -2.61 0.65 0.00 0.10 0.00 0.00 66.02 63.92 2dxb s SER 35 CO 0.30 0.02 1.72 0.50 0.98 0.00 0.00 173.24 176.76 2dxb h LYS 36 N 3.85 0.00 -4.92 4.02 3.64 -1.96 -3.46 116.57 117.75 2dxb h LYS 36 Ca -0.46 0.00 -0.33 0.00 -1.27 0.00 0.00 60.65 58.59 2dxb h LYS 36 Cb 1.20 0.00 -0.14 0.00 -0.41 0.00 0.00 32.23 32.88 2dxb h LYS 36 CO 0.67 0.00 -0.65 -0.06 -2.27 0.00 0.00 179.45 177.14 2dxb s PHE 37 N -3.30 1.41 0.14 1.91 0.08 -1.26 -5.11 117.98 111.85 2dxb s PHE 37 Ca 0.06 -1.03 0.00 0.00 0.12 0.00 0.00 56.93 56.09 2dxb s PHE 37 Cb 0.07 -0.81 -0.04 0.00 -0.57 0.00 0.00 43.02 41.66 2dxb s PHE 37 CO 0.62 -0.18 0.03 -0.80 -0.10 0.00 0.00 175.22 174.78 2dxb s ASN 38 N -3.25 0.71 0.20 1.36 -0.87 -1.26 -5.07 114.94 106.77 2dxb s ASN 38 Ca 0.29 -1.18 -0.32 0.00 -1.57 0.00 0.00 52.86 50.08 2dxb s ASN 38 Cb 0.06 0.21 -0.14 0.00 -0.02 0.00 0.00 41.25 41.37 2dxb s ASN 38 CO 0.08 -0.65 1.41 0.52 -2.57 0.00 0.00 177.10 175.89 2dxb n VAL 39 N -0.14 0.65 0.00 1.60 0.31 -1.26 -1.60 118.33 117.89 2dxb n VAL 39 Ca -0.07 -0.16 0.00 0.00 -0.01 0.00 0.00 64.34 64.10 2dxb n VAL 39 Cb 0.63 -1.37 0.00 0.00 -0.91 0.00 0.00 33.84 32.19 2dxb n VAL 39 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2dxb n GLY 40 N 2.46 3.10 3.77 2.92 0.00 0.50 -5.01 105.19 112.94 2dxb n GLY 40 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 2dxb n GLY 40 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2dxb s ASP 41 N -0.60 6.78 -0.24 1.61 1.01 -0.63 -4.72 116.67 119.88 2dxb s ASP 41 Ca 0.00 2.68 -0.18 0.00 0.71 0.00 0.00 52.55 55.76 2dxb s ASP 41 Cb 0.00 -2.65 -0.03 0.00 1.01 0.00 0.00 42.92 41.25 2dxb s ASP 41 CO 0.00 -0.53 0.50 -0.13 0.21 0.00 0.00 175.17 175.22 2dxb s ARG 42 N -1.72 4.11 0.13 8.23 1.81 -1.26 -1.56 118.95 128.68 2dxb s ARG 42 Ca 0.49 0.32 0.08 0.00 -1.72 0.00 0.00 55.73 54.90 2dxb s ARG 42 Cb -0.40 -3.62 -0.04 0.00 -0.45 0.00 0.00 34.95 30.45 2dxb s ARG 42 CO 0.52 -0.26 -0.19 0.14 -0.68 0.00 0.00 175.30 174.83 2dxb s VAL 43 N 2.02 1.70 -0.03 3.52 -7.23 -0.08 -1.46 120.40 118.83 2dxb s VAL 43 Ca 0.21 -1.70 0.04 0.00 -1.81 0.00 0.00 61.98 58.72 2dxb s VAL 43 Cb -0.15 -1.65 -0.03 0.00 0.56 0.00 0.00 36.38 35.11 2dxb s VAL 43 CO 0.09 -0.20 -0.12 -0.60 -0.31 0.00 0.00 175.10 173.96 2dxb s ARG 44 N -2.32 2.49 -0.26 4.82 3.52 -0.13 -0.19 118.95 126.88 2dxb s ARG 44 Ca 0.10 -0.72 -0.24 0.00 -0.13 0.00 0.00 55.73 54.74 2dxb s ARG 44 Cb -0.08 -2.41 -0.00 0.00 -1.56 0.00 0.00 34.95 30.90 2dxb s ARG 44 CO 0.05 0.61 0.81 0.42 -0.81 0.00 0.00 175.30 176.39 2dxb s ILE 45 N -0.83 4.83 0.35 4.11 -1.09 -0.47 -2.49 121.20 125.61 2dxb s ILE 45 Ca 0.13 1.45 -0.28 0.00 -2.23 0.00 0.00 60.65 59.73 2dxb s ILE 45 Cb -0.11 -4.12 -0.09 0.00 -1.58 0.00 0.00 42.46 36.56 2dxb s ILE 45 CO 0.03 -0.12 1.24 -0.54 -1.23 0.00 0.00 174.94 174.32 2dxb s LYS 46 N 2.87 4.26 -1.29 2.79 1.02 0.88 -0.59 119.74 129.68 2dxb s LYS 46 Ca 0.34 2.06 -0.06 0.00 0.02 0.00 0.00 55.97 58.32 2dxb s LYS 46 Cb -0.15 -2.94 0.15 0.00 -0.52 0.00 0.00 37.83 34.37 2dxb s LYS 46 CO 0.09 -0.21 2.16 -3.47 -0.92 0.00 0.00 175.35 173.00 2dxb n ASP 47 N 0.57 6.98 -4.75 2.83 2.03 -1.26 -4.72 116.55 118.24 2dxb n ASP 47 Ca 0.01 -3.16 -0.36 0.00 0.52 0.00 0.00 54.79 51.81 2dxb n ASP 47 Cb 0.44 -1.39 0.04 0.00 -0.72 0.00 0.00 41.12 39.49 2dxb n ASP 47 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2dxb s LEU 48 N -1.58 3.60 0.23 -2.67 1.43 -1.26 -4.91 118.68 113.52 2dxb s LEU 48 Ca 0.48 2.39 -0.32 0.00 -1.03 0.00 0.00 54.13 55.65 2dxb s LEU 48 Cb 0.15 -4.60 -0.14 0.00 0.03 0.00 0.00 46.19 41.64 2dxb s LEU 48 CO -0.05 -1.71 1.38 -2.65 0.23 0.00 0.00 176.35 173.54 2dxb n PRO 49 N -1.79 1.92 -0.47 1.29 -0.02 -1.26 -4.88 135.00 129.79 2dxb n PRO 49 Ca 0.14 0.68 0.08 0.00 -2.02 0.00 0.00 63.50 62.38 2dxb n PRO 49 Cb 0.50 -2.32 0.27 0.00 -0.02 0.00 0.00 33.50 31.92 2dxb n PRO 49 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 2dxb n ASP 50 N 2.18 4.00 -4.66 2.55 5.75 -1.26 -5.00 116.55 120.10 2dxb n ASP 50 Ca 0.12 -2.89 -0.49 0.00 -0.01 0.00 0.00 54.79 51.52 2dxb n ASP 50 Cb 0.30 -0.53 -0.05 0.00 -1.03 0.00 0.00 41.12 39.82 2dxb n ASP 50 CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 2dxb n LEU 51 N -0.24 2.80 0.00 -2.12 7.94 -1.26 -2.97 117.00 121.14 2dxb n LEU 51 Ca 0.21 1.06 0.00 0.00 -1.11 0.00 0.00 56.01 56.17 2dxb n LEU 51 Cb 0.88 -1.33 0.00 0.00 0.53 0.00 0.00 43.42 43.50 2dxb n LEU 51 CO 0.17 -0.40 0.00 0.49 -1.11 0.00 0.00 177.39 176.53 2dxb n PHE 52 N 4.36 0.00 -3.60 1.96 0.99 -1.26 -4.85 117.46 115.06 2dxb n PHE 52 Ca 0.20 0.00 -0.10 0.00 -0.00 0.00 0.00 57.45 57.55 2dxb n PHE 52 Cb 0.25 0.00 -0.06 0.00 -1.00 0.00 0.00 39.48 38.67 2dxb n PHE 52 CO 0.00 0.00 0.00 -0.47 -0.00 0.00 0.00 176.76 176.29 2dxb s TYR 53 N 0.00 -0.38 -0.20 1.38 5.04 -1.16 -5.17 117.35 116.87 2dxb s TYR 53 Ca 0.00 0.75 -0.30 0.00 -2.44 0.00 0.00 57.07 55.08 2dxb s TYR 53 Cb 0.00 0.43 0.15 0.00 0.35 0.00 0.00 41.96 42.89 2dxb s TYR 53 CO 0.00 -0.29 1.12 -0.08 -1.34 0.00 0.00 175.55 174.96 2dxb s THR 54 N -0.69 0.00 -0.09 4.34 -1.32 -1.26 -4.82 115.64 111.80 2dxb s THR 54 Ca 0.00 0.00 0.13 0.00 -1.21 0.00 0.00 61.69 60.61 2dxb s THR 54 Cb -0.02 -1.00 0.20 0.00 -1.51 0.00 0.00 72.50 70.17 2dxb s THR 54 CO -0.01 0.00 1.09 0.54 -2.21 0.00 0.00 174.62 174.02 2dxb n ARG 55 N 0.62 1.31 -3.58 7.08 1.74 -1.26 -4.89 116.66 117.68 2dxb n ARG 55 Ca -0.07 -2.13 -0.40 0.00 -0.77 0.00 0.00 57.85 54.48 2dxb n ARG 55 Cb 0.58 -1.25 -0.08 0.00 -1.02 0.00 0.00 32.46 30.69 2dxb n ARG 55 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 2dxb s THR 56 N -2.11 4.18 0.31 0.55 2.01 -1.26 -5.00 115.64 114.32 2dxb s THR 56 Ca 0.22 -2.12 -0.26 0.00 0.31 0.00 0.00 61.69 59.83 2dxb s THR 56 Cb 0.19 -3.73 -0.14 0.00 0.01 0.00 0.00 72.50 68.82 2dxb s THR 56 CO 0.02 -0.82 0.73 0.23 -0.69 0.00 0.00 174.62 174.09 2dxb n MET 57 N 4.49 0.74 -0.16 4.92 2.81 -1.26 -4.88 117.12 123.79 2dxb n MET 57 Ca -0.02 0.26 0.06 0.00 -1.81 0.00 0.00 57.70 56.20 2dxb n MET 57 Cb 0.41 -1.51 0.37 0.00 -0.71 0.00 0.00 33.22 31.78 2dxb n MET 57 CO 0.00 0.00 0.00 1.15 1.51 0.00 0.00 175.97 178.63 2dxb h THR 58 N 1.34 1.03 0.00 2.03 2.02 -1.99 -2.07 112.91 115.26 2dxb h THR 58 Ca -0.37 -0.24 0.00 0.00 0.77 0.00 0.00 66.41 66.57 2dxb h THR 58 Cb 1.39 0.25 0.00 0.00 -1.74 0.00 0.00 68.15 68.05 2dxb h THR 58 CO 0.57 0.13 0.00 0.00 0.37 0.00 0.00 175.52 176.59 2dxb n TYR 59 N -4.48 0.40 0.39 3.16 0.18 -1.26 -1.74 117.16 113.81 2dxb n TYR 59 Ca 0.10 0.19 0.11 0.00 1.88 0.00 0.00 57.90 60.17 2dxb n TYR 59 Cb 0.21 -0.80 -0.09 0.00 -0.38 0.00 0.00 39.34 38.28 2dxb n TYR 59 CO 0.00 0.00 0.00 0.25 -2.08 0.00 0.00 176.86 175.03 2dxb n THR 60 N -1.89 0.09 -1.65 -3.48 -2.24 -0.78 -4.90 114.28 99.42 2dxb n THR 60 Ca 0.00 -0.32 -0.47 0.00 -2.27 0.00 0.00 64.05 60.99 2dxb n THR 60 Cb 0.07 0.27 -0.05 0.00 -2.10 0.00 0.00 70.33 68.53 2dxb n THR 60 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2dxb n ARG 61 N -2.03 1.91 -0.71 -0.78 5.12 -0.71 -1.61 116.66 117.85 2dxb n ARG 61 Ca -0.00 0.69 0.00 0.00 -1.93 0.00 0.00 57.85 56.61 2dxb n ARG 61 Cb 0.48 -2.43 0.00 0.00 -1.16 0.00 0.00 32.46 29.35 2dxb n ARG 61 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2dxb n GLY 62 N 3.19 1.07 3.88 -0.13 0.00 0.24 -4.98 105.19 108.46 2dxb n GLY 62 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 2dxb n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dxb s ALA 63 N -3.14 3.42 -0.11 4.61 0.00 -0.63 -4.73 121.76 121.18 2dxb s ALA 63 Ca 0.00 -0.31 -0.02 0.00 0.00 0.00 0.00 51.96 51.62 2dxb s ALA 63 Cb 0.00 -2.59 -0.03 0.00 0.00 0.00 0.00 23.12 20.50 2dxb s ALA 63 CO 0.00 0.03 -0.02 0.99 0.00 0.00 0.00 175.76 176.77 2dxb s THR 64 N -2.32 4.13 0.33 0.00 2.01 -1.26 -1.37 115.64 117.17 2dxb s THR 64 Ca 0.49 -0.30 0.08 0.00 0.31 0.00 0.00 61.69 62.27 2dxb s THR 64 Cb -0.10 -2.76 -0.03 0.00 0.01 0.00 0.00 72.50 69.62 2dxb s THR 64 CO 0.32 0.56 0.29 0.61 -0.69 0.00 0.00 174.62 175.71 2dxb n GLY 65 N 2.63 2.88 3.31 4.40 0.00 0.73 -4.72 105.19 114.42 2dxb n GLY 65 Ca -0.18 -1.89 -0.32 0.00 0.00 0.00 0.00 46.02 43.63 2dxb n GLY 65 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2dxb s THR 66 N -3.35 2.62 -0.08 2.61 2.01 -0.47 -0.90 115.64 118.08 2dxb s THR 66 Ca 0.40 -0.82 -0.30 0.00 0.31 0.00 0.00 61.69 61.28 2dxb s THR 66 Cb 0.02 -2.06 -0.03 0.00 0.01 0.00 0.00 72.50 70.45 2dxb s THR 66 CO 0.28 0.54 1.17 -0.63 -0.69 0.00 0.00 174.62 175.30 2dxb s ILE 67 N 0.29 4.35 -0.69 1.82 1.01 -0.60 -0.92 121.20 126.45 2dxb s ILE 67 Ca -0.13 1.66 0.07 0.00 0.00 0.00 0.00 60.65 62.25 2dxb s ILE 67 Cb -0.16 -4.07 0.00 0.00 0.01 0.00 0.00 42.46 38.24 2dxb s ILE 67 CO 0.07 -0.02 0.55 1.33 0.00 0.00 0.00 174.94 176.87 2dxb n VAL 68 N 4.68 0.00 -3.64 2.92 0.24 -0.35 -0.37 118.33 121.81 2dxb n VAL 68 Ca 0.11 -0.43 -0.06 0.00 -2.04 0.00 0.00 64.34 61.92 2dxb n VAL 68 Cb 0.46 1.09 -0.07 0.00 -1.47 0.00 0.00 33.84 33.86 2dxb n VAL 68 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 2dxb s ARG 69 N -1.05 0.29 -0.55 7.34 3.52 -1.21 -4.91 118.95 122.37 2dxb s ARG 69 Ca 0.06 0.36 -0.18 0.00 -0.13 0.00 0.00 55.73 55.84 2dxb s ARG 69 Cb 0.06 0.14 0.10 0.00 -1.56 0.00 0.00 34.95 33.68 2dxb s ARG 69 CO 0.17 -0.04 0.62 -0.51 -0.81 0.00 0.00 175.30 174.74 2dxb s LEU 70 N 0.21 5.46 0.14 -0.88 1.02 -1.26 -0.42 118.68 122.94 2dxb s LEU 70 Ca 0.04 -1.37 -0.10 0.00 0.02 0.00 0.00 54.13 52.72 2dxb s LEU 70 Cb -0.05 -2.31 -0.06 0.00 0.02 0.00 0.00 46.19 43.80 2dxb s LEU 70 CO -0.11 -0.98 1.40 -0.37 0.02 0.00 0.00 176.35 176.31 2dxb h VAL 71 N 5.89 1.29 0.00 -1.59 -1.51 -1.80 -3.49 116.25 115.04 2dxb h VAL 71 Ca -0.29 -1.82 0.00 0.00 -1.23 0.00 0.00 66.70 63.36 2dxb h VAL 71 Cb 1.09 1.75 0.00 0.00 -2.13 0.00 0.00 31.29 32.00 2dxb h VAL 71 CO 1.04 0.58 0.00 0.00 -1.23 0.00 0.00 177.57 177.96 2dxb n TYR 72 N -3.97 0.00 -5.06 5.19 0.18 -1.25 -5.05 117.16 107.20 2dxb n TYR 72 Ca -0.05 0.00 -0.32 0.00 1.88 0.00 0.00 57.90 59.41 2dxb n TYR 72 Cb 0.66 0.00 -0.14 0.00 -0.38 0.00 0.00 39.34 39.47 2dxb n TYR 72 CO 0.00 0.00 0.00 -1.21 -2.08 0.00 0.00 176.86 173.57 2dxb s GLU 73 N -1.91 2.33 -0.14 -3.48 2.02 -1.26 -1.09 118.70 115.17 2dxb s GLU 73 Ca 0.00 -0.80 -0.32 0.00 0.02 0.00 0.00 54.97 53.87 2dxb s GLU 73 Cb 0.00 -2.23 0.13 0.00 0.10 0.00 0.00 34.13 32.13 2dxb s GLU 73 CO 0.00 0.60 1.08 0.45 0.02 0.00 0.00 175.26 177.41 2dxb s SER 74 N -0.70 -0.24 0.61 -0.19 0.15 -0.65 -4.56 113.70 108.12 2dxb s SER 74 Ca 0.11 0.09 -0.16 0.00 0.70 0.00 0.00 55.95 56.69 2dxb s SER 74 Cb -0.10 0.24 -0.03 0.00 -1.71 0.00 0.00 66.02 64.42 2dxb s SER 74 CO -0.00 -0.35 1.08 -2.16 1.20 0.00 0.00 173.24 173.01 2dxb s PRO 75 N -2.23 3.15 0.67 5.44 0.04 -1.26 -1.50 135.00 139.33 2dxb s PRO 75 Ca 0.06 1.32 -0.17 0.00 0.04 0.00 0.00 61.00 62.25 2dxb s PRO 75 Cb -0.01 -2.00 0.01 0.00 0.04 0.00 0.00 34.50 32.54 2dxb s PRO 75 CO -0.05 -0.96 1.23 0.00 0.04 0.00 0.00 177.00 177.27 2dxb s ALA 76 N -2.31 2.29 0.43 8.56 0.00 -1.26 -4.77 121.76 124.70 2dxb s ALA 76 Ca 0.66 1.01 0.13 0.00 0.00 0.00 0.00 51.96 53.76 2dxb s ALA 76 Cb -0.18 -3.49 0.94 0.00 0.00 0.00 0.00 23.12 20.38 2dxb s ALA 76 CO 0.37 -1.63 1.97 0.00 0.00 0.00 0.00 175.76 176.47 2dxb h ALA 77 N 0.23 1.65 -0.13 0.00 0.00 -1.98 -0.38 119.26 118.65 2dxb h ALA 77 Ca -0.49 -0.17 0.04 0.00 0.00 0.00 0.00 54.91 54.28 2dxb h ALA 77 Cb 1.31 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 2dxb h ALA 77 CO 0.52 0.26 0.10 0.93 0.00 0.00 0.00 179.25 181.06 2dxb h GLU 78 N 0.08 0.00 0.02 0.00 3.07 -1.89 0.77 114.58 116.63 2dxb h GLU 78 Ca 0.02 0.00 -0.39 0.00 -0.50 0.00 0.00 59.36 58.49 2dxb h GLU 78 Cb 0.32 0.00 -0.06 0.00 -0.84 0.00 0.00 28.75 28.18 2dxb h GLU 78 CO 0.02 0.00 -2.24 -0.25 -1.40 0.00 0.00 179.01 175.14 2dxb n ASP 79 N -4.42 1.98 -0.26 1.42 8.00 -0.67 -4.45 116.55 118.15 2dxb n ASP 79 Ca 0.00 0.18 -0.01 0.00 0.71 0.00 0.00 54.79 55.67 2dxb n ASP 79 Cb 0.22 -0.72 0.11 0.00 -0.02 0.00 0.00 41.12 40.71 2dxb n ASP 79 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 2dxb h GLU 80 N -0.52 0.76 0.00 -1.24 4.81 -0.97 -0.54 114.58 116.88 2dxb h GLU 80 Ca -0.57 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.62 2dxb h GLU 80 Cb 1.72 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 30.93 2dxb h GLU 80 CO -0.21 0.51 0.00 0.00 -0.73 0.00 0.00 179.01 178.58 2dxb n ALA 81 N -2.35 1.20 -1.14 2.92 0.00 0.25 -1.26 120.51 120.13 2dxb n ALA 81 Ca 0.09 -0.01 0.08 0.00 0.00 0.00 0.00 53.44 53.60 2dxb n ALA 81 Cb 0.16 -1.04 0.11 0.00 0.00 0.00 0.00 19.45 18.68 2dxb n ALA 81 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2dxb n PHE 82 N -1.42 0.00 -1.25 0.00 3.72 -0.34 -4.99 117.46 113.18 2dxb n PHE 82 Ca 0.01 -0.82 -0.06 0.00 -0.05 0.00 0.00 57.45 56.52 2dxb n PHE 82 Cb 0.03 -0.13 -0.03 0.00 -0.94 0.00 0.00 39.48 38.41 2dxb n PHE 82 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2dxb n GLY 83 N -1.17 0.82 3.13 1.37 0.00 -0.39 -5.01 105.19 103.93 2dxb n GLY 83 Ca 0.13 -0.76 -0.37 0.00 0.00 0.00 0.00 46.02 45.02 2dxb n GLY 83 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2dxb s ASN 84 N -2.92 5.33 -0.05 1.61 0.02 -0.43 -4.92 114.94 113.59 2dxb s ASN 84 Ca 0.00 -2.05 0.12 0.00 -1.02 0.00 0.00 52.86 49.91 2dxb s ASN 84 Cb 0.00 -1.86 0.34 0.00 0.02 0.00 0.00 41.25 39.75 2dxb s ASN 84 CO 0.00 -0.56 1.28 -0.62 0.02 0.00 0.00 177.10 177.22 2dxb n GLU 85 N 4.60 2.87 -0.29 -0.60 1.02 -1.26 -3.26 120.64 123.71 2dxb n GLU 85 Ca -0.03 -2.23 -0.01 0.00 -0.02 0.00 0.00 57.16 54.88 2dxb n GLU 85 Cb 0.41 -1.40 0.18 0.00 -0.02 0.00 0.00 31.44 30.60 2dxb n GLU 85 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2dxb h GLU 86 N 1.81 1.15 -5.66 3.49 3.07 -1.97 -3.43 114.58 113.04 2dxb h GLU 86 Ca 0.00 -0.08 -0.66 0.00 -0.50 0.00 0.00 59.36 58.12 2dxb h GLU 86 Cb 0.90 -0.26 -0.11 0.00 -0.84 0.00 0.00 28.75 28.44 2dxb h GLU 86 CO 0.06 0.77 -0.54 -0.80 -1.40 0.00 0.00 179.01 177.10 2dxb s ASN 87 N -6.26 5.88 -0.02 1.42 0.01 -1.26 -5.10 114.94 109.60 2dxb s ASN 87 Ca -0.12 0.28 0.06 0.00 -0.71 0.00 0.00 52.86 52.37 2dxb s ASN 87 Cb 0.18 -1.86 -0.01 0.00 0.41 0.00 0.00 41.25 39.96 2dxb s ASN 87 CO 0.80 0.35 -0.19 -0.69 -1.51 0.00 0.00 177.10 175.85 2dxb s VAL 88 N -0.66 1.55 0.21 1.60 1.01 -1.26 -4.03 120.40 118.82 2dxb s VAL 88 Ca 0.12 -0.82 0.01 0.00 0.00 0.00 0.00 61.98 61.28 2dxb s VAL 88 Cb -0.12 -1.30 -0.05 0.00 0.00 0.00 0.00 36.38 34.91 2dxb s VAL 88 CO 0.02 0.44 0.07 -1.83 0.00 0.00 0.00 175.10 173.81 2dxb s GLU 89 N -0.32 1.24 0.35 2.72 -1.05 -0.56 -4.23 118.70 116.85 2dxb s GLU 89 Ca 0.04 -1.64 -0.26 0.00 -0.15 0.00 0.00 54.97 52.96 2dxb s GLU 89 Cb -0.09 -0.12 -0.09 0.00 -0.44 0.00 0.00 34.13 33.39 2dxb s GLU 89 CO 0.00 -0.26 1.02 -1.58 0.95 0.00 0.00 175.26 175.39 2dxb s TRP 90 N -3.83 3.49 -0.06 4.83 0.52 -1.26 -1.64 118.94 120.98 2dxb s TRP 90 Ca 0.33 1.71 0.02 0.00 0.02 0.00 0.00 56.10 58.18 2dxb s TRP 90 Cb 0.07 -3.09 -0.03 0.00 -1.15 0.00 0.00 33.47 29.27 2dxb s TRP 90 CO 0.09 -0.32 -0.11 -0.06 0.02 0.00 0.00 176.95 176.58 2dxb s PHE 91 N -1.53 2.82 0.02 -1.98 0.40 -0.25 -1.11 117.98 116.35 2dxb s PHE 91 Ca 0.52 -0.09 0.08 0.00 -0.60 0.00 0.00 56.93 56.83 2dxb s PHE 91 Cb -0.23 -1.68 -0.02 0.00 0.51 0.00 0.00 43.02 41.59 2dxb s PHE 91 CO 0.29 0.24 -0.23 0.71 0.70 0.00 0.00 175.22 176.93 2dxb s TYR 92 N -0.71 2.00 -0.23 0.36 2.02 -0.65 -2.21 117.35 117.94 2dxb s TYR 92 Ca 0.11 -0.38 -0.15 0.00 -0.37 0.00 0.00 57.07 56.28 2dxb s TYR 92 Cb -0.11 -1.24 -0.04 0.00 -0.40 0.00 0.00 41.96 40.17 2dxb s TYR 92 CO 0.01 0.04 0.36 0.45 -1.57 0.00 0.00 175.55 174.84 2dxb s SER 93 N -0.90 6.33 -0.04 2.29 0.15 0.44 -0.90 113.70 121.07 2dxb s SER 93 Ca 0.09 0.38 0.07 0.00 0.70 0.00 0.00 55.95 57.19 2dxb s SER 93 Cb -0.09 -2.21 -0.02 0.00 -1.71 0.00 0.00 66.02 62.00 2dxb s SER 93 CO 0.01 -0.10 -0.25 -0.63 1.20 0.00 0.00 173.24 173.47 2dxb s ILE 94 N 1.58 2.14 -0.17 6.45 1.01 0.74 -1.21 121.20 131.73 2dxb s ILE 94 Ca 0.16 -1.06 -0.04 0.00 0.00 0.00 0.00 60.65 59.71 2dxb s ILE 94 Cb -0.15 -1.76 -0.03 0.00 0.01 0.00 0.00 42.46 40.54 2dxb s ILE 94 CO 0.08 0.58 -0.03 -0.69 0.00 0.00 0.00 174.94 174.88 2dxb s VAL 95 N -0.46 3.92 0.06 2.92 1.01 -0.10 -1.52 120.40 126.23 2dxb s VAL 95 Ca 0.05 -0.34 0.07 0.00 0.00 0.00 0.00 61.98 61.76 2dxb s VAL 95 Cb -0.11 -2.73 -0.03 0.00 0.00 0.00 0.00 36.38 33.50 2dxb s VAL 95 CO 0.01 0.48 -0.16 -0.36 0.00 0.00 0.00 175.10 175.06 2dxb s PHE 96 N 0.51 2.60 0.09 5.22 0.08 0.06 -1.37 117.98 125.16 2dxb s PHE 96 Ca -0.03 -0.23 -0.28 0.00 0.12 0.00 0.00 56.93 56.51 2dxb s PHE 96 Cb -0.14 -1.44 -0.06 0.00 -0.57 0.00 0.00 43.02 40.81 2dxb s PHE 96 CO 0.03 0.31 0.88 0.00 -0.10 0.00 0.00 175.22 176.34 2dxb s ALA 97 N -1.01 3.30 0.39 5.36 0.00 -1.26 -1.23 121.76 127.29 2dxb s ALA 97 Ca 0.16 0.46 0.11 0.00 0.00 0.00 0.00 51.96 52.69 2dxb s ALA 97 Cb -0.11 -3.16 0.90 0.00 0.00 0.00 0.00 23.12 20.75 2dxb s ALA 97 CO 0.08 0.01 1.92 1.96 0.00 0.00 0.00 175.76 179.73 2dxb h GLN 98 N 5.60 0.57 0.00 0.00 1.08 -1.68 -1.01 115.11 119.67 2dxb h GLN 98 Ca -0.43 -0.03 -0.01 0.00 -1.45 0.00 0.00 58.65 56.72 2dxb h GLN 98 Cb 1.21 -0.13 -0.00 0.00 -0.05 0.00 0.00 27.48 28.51 2dxb h GLN 98 CO 0.71 0.38 -0.07 1.57 -0.95 0.00 0.00 178.83 180.47 2dxb h LYS 99 N 0.59 0.00 0.00 1.46 2.10 -1.83 -0.89 116.57 118.01 2dxb h LYS 99 Ca 0.37 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.02 2dxb h LYS 99 Cb 0.63 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.96 2dxb h LYS 99 CO -0.14 0.07 -0.12 -0.25 -2.00 0.00 0.00 179.45 177.01 2dxb n ASP 100 N -3.45 0.29 -0.12 7.07 8.00 -0.39 -4.01 116.55 123.94 2dxb n ASP 100 Ca -0.02 0.37 -0.22 0.00 0.71 0.00 0.00 54.79 55.63 2dxb n ASP 100 Cb 0.20 -0.39 -0.10 0.00 -0.02 0.00 0.00 41.12 40.81 2dxb n ASP 100 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2dxb n LEU 101 N -1.69 2.34 -4.19 0.64 4.77 -0.51 -4.89 117.00 113.47 2dxb n LEU 101 Ca 0.06 0.10 -0.35 0.00 -0.03 0.00 0.00 56.01 55.80 2dxb n LEU 101 Cb 0.36 -0.78 -0.14 0.00 -2.33 0.00 0.00 43.42 40.54 2dxb n LEU 101 CO 0.30 0.70 -0.38 0.26 -1.33 0.00 0.00 177.39 176.94 2dxb s TRP 102 N -2.46 3.16 0.42 -1.77 0.52 -0.46 -5.00 118.94 113.35 2dxb s TRP 102 Ca -0.33 -1.67 0.18 0.00 0.02 0.00 0.00 56.10 54.29 2dxb s TRP 102 Cb 0.11 -2.09 1.10 0.00 -1.15 0.00 0.00 33.47 31.44 2dxb s TRP 102 CO 0.49 -0.76 1.84 -1.35 0.02 0.00 0.00 176.95 177.19 2dxb h PRO 103 N 8.02 0.38 -0.00 4.98 0.11 -1.87 -1.79 132.00 141.83 2dxb h PRO 103 Ca -0.27 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.82 2dxb h PRO 103 Cb 1.09 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.11 2dxb h PRO 103 CO 0.56 0.25 -0.07 -0.85 -0.21 0.00 0.00 178.00 177.68 2dxb n GLU 104 N -4.52 0.90 -1.67 1.05 0.00 -1.26 -4.93 120.64 110.21 2dxb n GLU 104 Ca 0.20 -0.30 -0.46 0.00 0.00 0.00 0.00 57.16 56.61 2dxb n GLU 104 Cb 0.74 -1.49 -0.03 0.00 0.00 0.00 0.00 31.44 30.65 2dxb n GLU 104 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.13 178.11 2dxb n TYR 105 N -0.79 2.19 -2.26 -1.84 9.36 -0.67 -4.91 117.16 118.23 2dxb n TYR 105 Ca 0.17 0.37 -0.41 0.00 3.32 0.00 0.00 57.90 61.35 2dxb n TYR 105 Cb 0.25 -2.49 -0.03 0.00 -0.63 0.00 0.00 39.34 36.44 2dxb n TYR 105 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 2dxb s SER 106 N 0.58 6.98 0.60 2.98 0.15 -1.26 -4.92 113.70 118.81 2dxb s SER 106 Ca 0.74 2.51 0.39 0.00 0.70 0.00 0.00 55.95 60.28 2dxb s SER 106 Cb -0.67 -2.64 1.84 0.00 -1.71 0.00 0.00 66.02 62.83 2dxb s SER 106 CO 0.44 -0.37 2.16 0.44 1.20 0.00 0.00 173.24 177.10 2dxb h ASP 107 N 3.64 0.00 -0.24 5.45 3.32 -2.00 -2.17 116.42 124.42 2dxb h ASP 107 Ca -0.48 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 56.53 2dxb h ASP 107 Cb 1.22 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.75 2dxb h ASP 107 CO 0.66 0.00 0.03 0.74 -1.72 0.00 0.00 179.24 178.96 2dxb h THR 108 N 0.00 1.18 -1.75 0.35 2.02 -2.01 -2.85 112.91 109.85 2dxb h THR 108 Ca -0.00 -0.70 -0.69 0.00 0.77 0.00 0.00 66.41 65.80 2dxb h THR 108 Cb 0.29 0.89 -0.34 0.00 -1.74 0.00 0.00 68.15 67.25 2dxb h THR 108 CO 0.00 0.24 0.25 0.49 0.37 0.00 0.00 175.52 176.87 2dxb n PHE 109 N -4.31 3.17 0.38 3.16 3.72 -0.82 -4.82 117.46 117.95 2dxb n PHE 109 Ca 0.02 -2.68 0.09 0.00 -0.05 0.00 0.00 57.45 54.83 2dxb n PHE 109 Cb 0.22 -0.69 0.41 0.00 -0.94 0.00 0.00 39.48 38.48 2dxb n PHE 109 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2dxb n ALA 110 N -0.52 1.55 1.02 4.37 0.00 -1.08 -2.73 120.51 123.13 2dxb n ALA 110 Ca 0.47 0.05 0.12 0.00 0.00 0.00 0.00 53.44 54.08 2dxb n ALA 110 Cb 0.44 -1.31 0.15 0.00 0.00 0.00 0.00 19.45 18.74 2dxb n ALA 110 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2dxb n ASN 111 N -1.96 0.75 -4.77 0.00 5.03 -1.26 -4.92 115.26 108.13 2dxb n ASN 111 Ca 0.02 -0.57 -0.40 0.00 0.87 0.00 0.00 54.58 54.50 2dxb n ASN 111 Cb 0.17 0.45 -0.00 0.00 -1.02 0.00 0.00 39.78 39.38 2dxb n ASN 111 CO 0.00 0.00 0.00 -1.81 -1.83 0.00 0.00 177.26 173.62 2dxb s ASP 112 N -2.93 6.34 0.29 6.41 1.11 -1.10 -4.96 116.67 121.83 2dxb s ASP 112 Ca 0.12 2.87 0.03 0.00 0.18 0.00 0.00 52.55 55.75 2dxb s ASP 112 Cb 0.17 -2.66 -0.04 0.00 1.07 0.00 0.00 42.92 41.47 2dxb s ASP 112 CO 0.72 -0.85 0.17 0.42 1.18 0.00 0.00 175.17 176.81 2dxb s THR 113 N -1.17 0.22 -0.03 -1.27 -4.23 -1.26 -1.84 115.64 106.07 2dxb s THR 113 Ca 0.54 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.06 2dxb s THR 113 Cb -0.43 -2.51 0.03 0.00 1.34 0.00 0.00 72.50 70.93 2dxb s THR 113 CO 0.57 0.00 0.00 -0.22 -0.54 0.00 0.00 174.62 174.43 2dxb s LEU 114 N -3.34 1.18 -0.08 4.79 0.20 -0.37 -4.81 118.68 116.25 2dxb s LEU 114 Ca 0.37 -0.02 0.04 0.00 0.69 0.00 0.00 54.13 55.21 2dxb s LEU 114 Cb 0.05 -0.21 -0.01 0.00 -0.43 0.00 0.00 46.19 45.59 2dxb s LEU 114 CO 0.18 -0.10 -0.20 -0.70 -0.29 0.00 0.00 176.35 175.24 2dxb s GLU 115 N 1.00 2.87 0.24 1.98 2.12 -1.26 -0.76 118.70 124.88 2dxb s GLU 115 Ca -0.10 -0.82 -0.13 0.00 0.36 0.00 0.00 54.97 54.29 2dxb s GLU 115 Cb -0.13 -2.34 -0.00 0.00 0.26 0.00 0.00 34.13 31.91 2dxb s GLU 115 CO -0.02 0.33 0.46 -0.08 -0.54 0.00 0.00 175.26 175.41 2dxb s THR 116 N 0.00 0.00 -0.09 -1.70 -1.32 -0.58 -4.97 115.64 106.99 2dxb s THR 116 Ca -0.07 -1.39 -0.01 0.00 -1.21 0.00 0.00 61.69 59.01 2dxb s THR 116 Cb -0.15 -2.16 -0.03 0.00 -1.51 0.00 0.00 72.50 68.65 2dxb s THR 116 CO 0.05 -0.02 -0.02 -1.61 -2.21 0.00 0.00 174.62 170.80 2dxb s GLU 117 N -4.01 3.04 -0.02 7.08 2.02 -1.26 -0.19 118.70 125.36 2dxb s GLU 117 Ca 0.22 -0.46 0.00 0.00 0.02 0.00 0.00 54.97 54.75 2dxb s GLU 117 Cb -0.00 -2.76 0.02 0.00 0.10 0.00 0.00 34.13 31.49 2dxb s GLU 117 CO 0.08 0.62 0.01 0.42 0.02 0.00 0.00 175.26 176.41 2dxb s ILE 118 N -0.65 0.03 0.58 -1.63 1.01 -0.08 -4.92 121.20 115.54 2dxb s ILE 118 Ca 0.10 0.14 -0.18 0.00 0.00 0.00 0.00 60.65 60.71 2dxb s ILE 118 Cb -0.12 -0.13 -0.04 0.00 0.01 0.00 0.00 42.46 42.19 2dxb s ILE 118 CO 0.02 0.09 1.12 -2.16 0.00 0.00 0.00 174.94 174.01 2dxb s PRO 119 N 0.86 3.17 0.35 2.79 0.04 -1.26 -1.63 135.00 139.31 2dxb s PRO 119 Ca -0.08 1.53 0.14 0.00 0.04 0.00 0.00 61.00 62.63 2dxb s PRO 119 Cb -0.11 -1.99 1.04 0.00 0.04 0.00 0.00 34.50 33.48 2dxb s PRO 119 CO -0.02 -0.98 1.70 1.49 0.04 0.00 0.00 177.00 179.23 2dxb h GLU 120 N 0.80 0.40 -0.38 4.56 4.81 -1.47 -2.35 114.58 120.95 2dxb h GLU 120 Ca -0.49 -0.02 0.11 0.00 -0.13 0.00 0.00 59.36 58.83 2dxb h GLU 120 Cb 1.26 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 30.53 2dxb h GLU 120 CO 0.56 0.27 0.41 0.07 -0.73 0.00 0.00 179.01 179.58 2dxb h ARG 121 N 0.41 0.00 -0.01 1.92 0.11 -1.91 0.73 114.38 115.62 2dxb h ARG 121 Ca 0.69 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.77 2dxb h ARG 121 Cb 1.55 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.63 2dxb h ARG 121 CO -0.51 0.00 -0.04 0.66 0.10 0.00 0.00 179.97 180.18 2dxb n TYR 122 N -3.75 0.00 -4.12 4.08 4.01 -0.88 -4.91 117.16 111.59 2dxb n TYR 122 Ca 0.07 0.00 -0.34 0.00 -0.16 0.00 0.00 57.90 57.47 2dxb n TYR 122 Cb 0.58 -0.02 -0.07 0.00 -0.31 0.00 0.00 39.34 39.51 2dxb n TYR 122 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 2dxb s LEU 123 N -2.09 3.90 -0.04 7.72 1.43 0.25 -0.08 118.68 129.76 2dxb s LEU 123 Ca 0.36 0.18 -0.08 0.00 -1.03 0.00 0.00 54.13 53.55 2dxb s LEU 123 Cb 0.21 -2.20 0.01 0.00 0.03 0.00 0.00 46.19 44.24 2dxb s LEU 123 CO 0.37 0.30 0.19 -1.83 0.23 0.00 0.00 176.35 175.61 2dxb s GLU 124 N -1.57 0.36 0.20 1.70 -1.05 -1.04 -4.94 118.70 112.36 2dxb s GLU 124 Ca 0.21 0.01 -0.32 0.00 -0.15 0.00 0.00 54.97 54.71 2dxb s GLU 124 Cb -0.12 0.16 -0.12 0.00 -0.44 0.00 0.00 34.13 33.61 2dxb s GLU 124 CO 0.12 -0.07 1.68 1.17 0.95 0.00 0.00 175.26 179.10 2dxb n LYS 125 N 2.29 2.62 0.00 -4.83 3.00 -1.26 -0.95 118.16 119.03 2dxb n LYS 125 Ca -0.17 0.95 0.15 0.00 -0.00 0.00 0.00 58.31 59.24 2dxb n LYS 125 Cb 0.57 -2.77 0.77 0.00 0.00 0.00 0.00 35.03 33.61 2dxb n LYS 125 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40