#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dxb s VAL 9 N 0.00 4.68 -0.23 0.52 1.01 -1.26 -5.09 120.40 120.03 2dxb s VAL 9 Ca 0.00 -0.09 -0.07 0.00 0.00 0.00 0.00 61.98 61.82 2dxb s VAL 9 Cb 0.00 -3.04 -0.03 0.00 0.00 0.00 0.00 36.38 33.31 2dxb s VAL 9 CO 0.00 0.55 0.05 0.26 0.00 0.00 0.00 175.10 175.95 2dxb s TRP 10 N -0.35 3.09 -0.49 5.22 0.52 -1.26 -5.04 118.94 120.64 2dxb s TRP 10 Ca 0.08 -0.37 -0.28 0.00 0.02 0.00 0.00 56.10 55.55 2dxb s TRP 10 Cb -0.12 -2.17 -0.01 0.00 -1.15 0.00 0.00 33.47 30.01 2dxb s TRP 10 CO 0.02 -0.26 1.71 0.34 0.02 0.00 0.00 176.95 178.78 2dxb s ASP 11 N 1.29 5.74 0.00 2.95 -1.08 -1.26 -4.83 116.67 119.48 2dxb s ASP 11 Ca 0.05 0.71 0.25 0.00 -0.52 0.00 0.00 52.55 53.04 2dxb s ASP 11 Cb -0.15 -2.53 0.53 0.00 -1.46 0.00 0.00 42.92 39.31 2dxb s ASP 11 CO 0.03 -1.93 1.42 0.54 0.52 0.00 0.00 175.17 175.75 2dxb n ARG 12 N 8.72 0.63 -0.00 4.34 1.74 -1.26 -4.20 116.66 126.63 2dxb n ARG 12 Ca 0.19 -0.41 0.09 0.00 -0.77 0.00 0.00 57.85 56.95 2dxb n ARG 12 Cb 0.49 -1.49 -0.11 0.00 -1.02 0.00 0.00 32.46 30.33 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 -0.83 0.00 0.07 0.55 -2.24 -1.26 -4.66 114.28 105.91 2dxb n THR 13 Ca 0.10 -0.13 -0.12 0.00 -2.27 0.00 0.00 64.05 61.62 2dxb n THR 13 Cb 0.36 0.84 -0.05 0.00 -2.10 0.00 0.00 70.33 69.38 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 -0.89 -0.24 4.78 -0.00 -1.99 -1.47 115.15 115.35 2dxb h HIS 14 Ca 0.00 0.03 0.04 0.00 -0.00 0.00 0.00 60.37 60.44 2dxb h HIS 14 Cb 0.50 0.39 -0.04 0.00 -0.00 0.00 0.00 27.41 28.26 2dxb h HIS 14 CO 0.00 -0.42 -0.02 1.25 -0.00 0.00 0.00 177.93 178.74 2dxb h HIS 15 N -0.49 -0.06 -0.68 5.26 6.17 -1.87 -1.48 115.15 122.00 2dxb h HIS 15 Ca 0.06 0.02 -0.01 0.00 0.71 0.00 0.00 60.37 61.15 2dxb h HIS 15 Cb 0.56 0.06 -0.03 0.00 2.52 0.00 0.00 27.41 30.53 2dxb h HIS 15 CO -0.34 -0.07 0.40 0.00 0.71 0.00 0.00 177.93 178.64 2dxb h ALA 16 N 1.22 0.87 -0.18 5.26 0.00 -1.82 0.05 119.26 124.66 2dxb h ALA 16 Ca 0.12 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 2dxb h ALA 16 Cb 0.16 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 2dxb h ALA 16 CO -0.22 0.36 -0.16 0.87 0.00 0.00 0.00 179.25 180.10 2dxb h LYS 17 N 0.93 0.30 0.14 0.00 1.57 -0.96 -1.20 116.57 117.35 2dxb h LYS 17 Ca 0.24 -0.08 -0.30 0.00 -1.87 0.00 0.00 60.65 58.65 2dxb h LYS 17 Cb -0.00 -0.03 0.01 0.00 0.08 0.00 0.00 32.23 32.28 2dxb h LYS 17 CO -0.04 0.46 -1.38 1.98 -0.57 0.00 0.00 179.45 179.89 2dxb h MET 18 N 0.28 0.30 0.00 3.15 4.05 -0.82 -3.39 114.93 118.50 2dxb h MET 18 Ca 0.05 -0.52 0.00 0.00 -0.28 0.00 0.00 59.70 58.95 2dxb h MET 18 Cb 0.45 0.19 0.00 0.00 -0.80 0.00 0.00 31.60 31.44 2dxb h MET 18 CO 0.03 1.22 -1.45 0.00 0.23 0.00 0.00 176.91 176.94 2dxb n ALA 19 N -2.61 3.50 -1.70 0.39 0.00 -0.04 -4.86 120.51 115.20 2dxb n ALA 19 Ca -0.13 -0.50 -0.43 0.00 0.00 0.00 0.00 53.44 52.39 2dxb n ALA 19 Cb 1.04 -0.68 -0.03 0.00 0.00 0.00 0.00 19.45 19.78 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 -1.85 0.17 -0.61 0.00 -1.04 -0.46 0.21 114.28 110.70 2dxb n THR 20 Ca -0.00 -0.03 0.00 0.00 -2.04 0.00 0.00 64.05 61.98 2dxb n THR 20 Cb 0.41 -1.93 0.00 0.00 -1.82 0.00 0.00 70.33 66.99 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 3.98 1.53 0.88 3.41 0.00 -1.26 -4.74 105.19 108.98 2dxb n GLY 21 Ca 0.17 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.15 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 0.32 0.00 -0.61 2.08 -0.34 -5.16 119.36 113.65 2dxb n ILE 22 Ca 0.00 -0.02 0.00 0.00 0.56 0.00 0.00 62.75 63.29 2dxb n ILE 22 Cb 0.00 -1.57 0.00 0.00 -0.75 0.00 0.00 39.64 37.32 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 2.78 1.36 3.11 7.39 0.00 0.13 -4.65 105.19 115.32 2dxb n GLY 23 Ca -0.08 -2.01 -0.28 0.00 0.00 0.00 0.00 46.02 43.66 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 2.41 -0.04 1.61 -1.08 -1.26 -1.09 116.67 117.22 2dxb s ASP 24 Ca 0.00 -0.43 0.07 0.00 -0.52 0.00 0.00 52.55 51.68 2dxb s ASP 24 Cb 0.00 -1.11 0.29 0.00 -1.46 0.00 0.00 42.92 40.64 2dxb s ASP 24 CO 0.00 0.09 1.11 -0.81 0.52 0.00 0.00 175.17 176.08 2dxb n PRO 25 N 3.70 2.08 0.17 4.34 -0.04 -1.26 -4.96 135.00 139.04 2dxb n PRO 25 Ca -0.21 -1.14 0.16 0.00 -0.04 0.00 0.00 63.50 62.27 2dxb n PRO 25 Cb 0.52 -1.50 0.76 0.00 -0.04 0.00 0.00 33.50 33.25 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 1.64 0.00 0.00 0.54 7.50 -1.80 -1.39 115.11 121.60 2dxb h GLN 26 Ca 0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 2dxb h GLN 26 Cb 0.72 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.25 2dxb h GLN 26 CO 0.09 0.00 0.00 0.00 -1.50 0.00 0.00 178.83 177.42 2dxb n PHE 28 N -1.53 0.03 -1.59 0.00 3.72 -0.52 -5.01 117.46 112.55 2dxb n PHE 28 Ca 0.04 -0.02 -0.47 0.00 -0.05 0.00 0.00 57.45 56.94 2dxb n PHE 28 Cb 0.18 -0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.68 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 0.99 1.33 -0.17 -1.08 4.81 -0.98 -1.43 118.16 121.64 2dxb n LYS 29 Ca 0.11 0.47 0.00 0.00 -0.87 0.00 0.00 58.31 58.02 2dxb n LYS 29 Cb 0.44 -1.96 0.00 0.00 0.02 0.00 0.00 35.03 33.53 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 1.88 2.07 0.05 3.14 0.00 -1.26 -4.86 105.19 106.20 2dxb n GLY 30 Ca 0.13 0.00 0.13 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 0.12 0.01 1.61 2.81 -0.51 -3.31 117.12 115.84 2dxb n MET 31 Ca 0.00 0.15 0.12 0.00 -1.81 0.00 0.00 57.70 56.16 2dxb n MET 31 Cb 0.00 -1.65 0.22 0.00 -0.71 0.00 0.00 33.22 31.08 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 -1.63 3.50 -0.27 3.04 0.00 -1.26 -4.59 120.51 119.29 2dxb n ALA 32 Ca 0.06 -0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.15 2dxb n ALA 32 Cb 0.35 -1.11 0.00 0.00 0.00 0.00 0.00 19.45 18.69 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 1.47 -0.19 3.72 0.00 0.00 -1.21 -4.77 105.19 104.21 2dxb n GLY 33 Ca 0.05 -1.02 -0.42 0.00 0.00 0.00 0.00 46.02 44.63 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 4.43 0.43 1.61 2.20 -1.26 -4.99 119.74 122.16 2dxb s LYS 34 Ca 0.00 1.84 -0.25 0.00 -0.36 0.00 0.00 55.97 57.21 2dxb s LYS 34 Cb 0.00 -3.30 -0.08 0.00 -1.51 0.00 0.00 37.83 32.94 2dxb s LYS 34 CO 0.00 -0.23 1.22 -1.54 -0.36 0.00 0.00 175.35 174.43 2dxb s SER 35 N 0.81 6.30 0.36 1.43 1.04 -1.26 -4.93 113.70 117.44 2dxb s SER 35 Ca 0.58 2.44 0.23 0.00 0.48 0.00 0.00 55.95 59.69 2dxb s SER 35 Cb -0.31 -2.62 0.33 0.00 0.10 0.00 0.00 66.02 63.51 2dxb s SER 35 CO 0.31 -0.84 1.51 0.50 0.98 0.00 0.00 173.24 175.70 2dxb h LYS 36 N 2.43 0.00 -5.06 4.02 3.64 -1.96 -3.46 116.57 116.17 2dxb h LYS 36 Ca -0.49 0.00 -0.38 0.00 -1.27 0.00 0.00 60.65 58.51 2dxb h LYS 36 Cb 1.25 0.00 -0.14 0.00 -0.41 0.00 0.00 32.23 32.92 2dxb h LYS 36 CO 0.62 0.00 -0.65 -0.06 -2.27 0.00 0.00 179.45 177.09 2dxb s PHE 37 N -3.23 1.57 0.12 1.91 0.08 -1.26 -5.11 117.98 112.05 2dxb s PHE 37 Ca 0.06 -0.95 0.00 0.00 0.12 0.00 0.00 56.93 56.16 2dxb s PHE 37 Cb 0.07 -0.92 -0.04 0.00 -0.57 0.00 0.00 43.02 41.56 2dxb s PHE 37 CO 0.69 -0.07 0.00 -0.80 -0.10 0.00 0.00 175.22 174.93 2dxb s ASN 38 N -3.31 0.71 0.15 1.36 -0.87 -1.26 -5.07 114.94 106.65 2dxb s ASN 38 Ca 0.30 -1.12 -0.34 0.00 -1.57 0.00 0.00 52.86 50.13 2dxb s ASN 38 Cb 0.06 0.20 -0.15 0.00 -0.02 0.00 0.00 41.25 41.34 2dxb s ASN 38 CO 0.09 -0.61 1.42 0.52 -2.57 0.00 0.00 177.10 175.95 2dxb n VAL 39 N -0.07 0.27 0.00 1.60 0.31 -1.26 -1.23 118.33 117.95 2dxb n VAL 39 Ca -0.09 -0.07 0.00 0.00 -0.01 0.00 0.00 64.34 64.17 2dxb n VAL 39 Cb 0.62 -1.21 0.00 0.00 -0.91 0.00 0.00 33.84 32.34 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 2.74 2.52 3.75 2.92 0.00 0.55 -5.01 105.19 112.66 2dxb n GLY 40 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.33 7.07 -0.17 1.61 1.01 -0.37 -4.75 116.67 119.75 2dxb s ASP 41 Ca 0.00 2.37 -0.20 0.00 0.71 0.00 0.00 52.55 55.43 2dxb s ASP 41 Cb 0.00 -2.63 -0.03 0.00 1.01 0.00 0.00 42.92 41.27 2dxb s ASP 41 CO 0.00 -0.33 0.58 -0.13 0.21 0.00 0.00 175.17 175.50 2dxb s ARG 42 N -1.09 4.25 0.10 8.23 1.81 -1.26 -1.47 118.95 129.52 2dxb s ARG 42 Ca 0.49 0.56 0.05 0.00 -1.72 0.00 0.00 55.73 55.10 2dxb s ARG 42 Cb -0.34 -3.53 -0.04 0.00 -0.45 0.00 0.00 34.95 30.59 2dxb s ARG 42 CO 0.42 -0.11 -0.12 0.14 -0.68 0.00 0.00 175.30 174.95 2dxb s VAL 43 N 1.49 1.10 -0.02 3.52 -7.23 -0.35 -1.25 120.40 117.67 2dxb s VAL 43 Ca 0.28 -1.61 0.03 0.00 -1.81 0.00 0.00 61.98 58.87 2dxb s VAL 43 Cb -0.16 -1.37 -0.03 0.00 0.56 0.00 0.00 36.38 35.38 2dxb s VAL 43 CO 0.11 -0.46 -0.08 -0.60 -0.31 0.00 0.00 175.10 173.76 2dxb s ARG 44 N -2.58 2.55 -0.26 4.82 3.52 0.52 -1.09 118.95 126.43 2dxb s ARG 44 Ca 0.05 -0.70 -0.24 0.00 -0.13 0.00 0.00 55.73 54.72 2dxb s ARG 44 Cb -0.05 -2.48 -0.01 0.00 -1.56 0.00 0.00 34.95 30.85 2dxb s ARG 44 CO 0.01 0.61 0.79 0.42 -0.81 0.00 0.00 175.30 176.32 2dxb s ILE 45 N -0.92 4.85 0.39 4.11 -1.09 -0.58 -2.39 121.20 125.57 2dxb s ILE 45 Ca 0.15 1.40 -0.25 0.00 -2.23 0.00 0.00 60.65 59.72 2dxb s ILE 45 Cb -0.11 -4.09 -0.09 0.00 -1.58 0.00 0.00 42.46 36.59 2dxb s ILE 45 CO 0.05 -0.10 1.14 -0.54 -1.23 0.00 0.00 174.94 174.26 2dxb s LYS 46 N 2.82 4.14 -1.30 2.79 1.02 0.86 -0.40 119.74 129.68 2dxb s LYS 46 Ca 0.33 1.77 -0.06 0.00 0.02 0.00 0.00 55.97 58.02 2dxb s LYS 46 Cb -0.15 -2.70 0.14 0.00 -0.52 0.00 0.00 37.83 34.60 2dxb s LYS 46 CO 0.09 -0.22 2.20 -3.47 -0.92 0.00 0.00 175.35 173.03 2dxb n ASP 47 N 0.17 7.14 -4.74 2.83 2.03 -1.26 -4.72 116.55 118.00 2dxb n ASP 47 Ca 0.04 -3.15 -0.35 0.00 0.52 0.00 0.00 54.79 51.85 2dxb n ASP 47 Cb 0.47 -1.39 0.07 0.00 -0.72 0.00 0.00 41.12 39.55 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 -1.63 3.45 0.23 -2.67 1.43 -1.26 -4.92 118.68 113.31 2dxb s LEU 48 Ca 0.49 2.36 -0.32 0.00 -1.03 0.00 0.00 54.13 55.63 2dxb s LEU 48 Cb 0.16 -4.59 -0.12 0.00 0.03 0.00 0.00 46.19 41.66 2dxb s LEU 48 CO -0.06 -1.97 1.65 -2.65 0.23 0.00 0.00 176.35 173.55 2dxb n PRO 49 N -2.27 2.63 -0.39 1.29 -0.02 -1.26 -4.89 135.00 130.08 2dxb n PRO 49 Ca 0.13 0.94 0.12 0.00 -2.02 0.00 0.00 63.50 62.67 2dxb n PRO 49 Cb 0.50 -2.75 0.33 0.00 -0.02 0.00 0.00 33.50 31.56 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 3.28 4.04 -4.62 2.55 5.68 -1.26 -4.98 116.55 121.23 2dxb n ASP 50 Ca 0.14 -2.04 -0.58 0.00 -0.50 0.00 0.00 54.79 51.81 2dxb n ASP 50 Cb 0.34 -0.50 -0.07 0.00 -1.14 0.00 0.00 41.12 39.75 2dxb n ASP 50 CO 0.00 0.00 0.00 -0.11 -1.33 0.00 0.00 177.20 175.76 2dxb n LEU 51 N 1.61 1.29 0.00 -2.12 7.94 -1.26 -2.39 117.00 122.07 2dxb n LEU 51 Ca 0.25 1.13 0.00 0.00 -1.11 0.00 0.00 56.01 56.28 2dxb n LEU 51 Cb 0.65 -1.05 0.00 0.00 0.53 0.00 0.00 43.42 43.55 2dxb n LEU 51 CO 0.17 -1.10 0.00 0.49 -1.11 0.00 0.00 177.39 175.84 2dxb n PHE 52 N 3.15 0.00 -3.57 1.96 3.72 -1.26 -4.83 117.46 116.63 2dxb n PHE 52 Ca 0.23 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.50 2dxb n PHE 52 Cb 0.10 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.58 2dxb n PHE 52 CO 0.00 0.00 0.00 -0.47 -0.05 0.00 0.00 176.76 176.24 2dxb s TYR 53 N 0.00 -0.51 -0.23 1.38 5.04 -1.01 -5.16 117.35 116.87 2dxb s TYR 53 Ca 0.00 0.97 -0.29 0.00 -2.44 0.00 0.00 57.07 55.31 2dxb s TYR 53 Cb 0.00 0.41 0.16 0.00 0.35 0.00 0.00 41.96 42.88 2dxb s TYR 53 CO 0.00 -0.41 1.17 -0.08 -1.34 0.00 0.00 175.55 174.89 2dxb s THR 54 N -0.81 0.00 -0.11 4.34 -1.32 -1.26 -4.80 115.64 111.68 2dxb s THR 54 Ca -0.04 0.00 0.16 0.00 -1.21 0.00 0.00 61.69 60.61 2dxb s THR 54 Cb -0.01 -1.00 0.25 0.00 -1.51 0.00 0.00 72.50 70.22 2dxb s THR 54 CO 0.03 0.00 1.13 0.54 -2.21 0.00 0.00 174.62 174.11 2dxb n ARG 55 N 0.84 1.45 -3.59 7.08 1.74 -1.26 -4.89 116.66 118.03 2dxb n ARG 55 Ca -0.07 -2.41 -0.40 0.00 -0.77 0.00 0.00 57.85 54.21 2dxb n ARG 55 Cb 0.58 -1.41 -0.08 0.00 -1.02 0.00 0.00 32.46 30.52 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 -2.58 4.14 0.22 0.55 2.01 -1.26 -5.01 115.64 113.71 2dxb s THR 56 Ca 0.27 -2.13 -0.29 0.00 0.31 0.00 0.00 61.69 59.85 2dxb s THR 56 Cb 0.24 -3.71 -0.16 0.00 0.01 0.00 0.00 72.50 68.87 2dxb s THR 56 CO 0.03 -0.81 0.76 0.23 -0.69 0.00 0.00 174.62 174.13 2dxb n MET 57 N 4.48 0.54 -0.21 4.92 2.81 -1.26 -4.88 117.12 123.52 2dxb n MET 57 Ca -0.02 0.19 0.06 0.00 -1.81 0.00 0.00 57.70 56.12 2dxb n MET 57 Cb 0.41 -1.37 0.33 0.00 -0.71 0.00 0.00 33.22 31.88 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 1.54 1.02 0.00 2.03 2.02 -1.99 -1.66 112.91 115.88 2dxb h THR 58 Ca -0.34 -0.28 0.00 0.00 0.77 0.00 0.00 66.41 66.56 2dxb h THR 58 Cb 1.40 0.14 0.00 0.00 -1.74 0.00 0.00 68.15 67.95 2dxb h THR 58 CO 0.59 0.15 0.00 0.00 0.37 0.00 0.00 175.52 176.63 2dxb n TYR 59 N -4.48 0.02 0.51 3.16 0.18 -1.26 -1.78 117.16 113.51 2dxb n TYR 59 Ca 0.12 0.01 0.10 0.00 1.88 0.00 0.00 57.90 60.01 2dxb n TYR 59 Cb 0.23 -0.52 -0.14 0.00 -0.38 0.00 0.00 39.34 38.53 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 -1.52 0.00 -1.68 -3.48 -2.24 -0.62 -4.92 114.28 99.82 2dxb n THR 60 Ca 0.01 -0.24 -0.45 0.00 -2.27 0.00 0.00 64.05 61.09 2dxb n THR 60 Cb 0.03 0.51 -0.04 0.00 -2.10 0.00 0.00 70.33 68.73 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 -1.87 2.33 -0.92 -0.78 5.12 -0.73 -1.74 116.66 118.07 2dxb n ARG 61 Ca 0.00 0.84 0.00 0.00 -1.93 0.00 0.00 57.85 56.76 2dxb n ARG 61 Cb 0.45 -2.64 0.00 0.00 -1.16 0.00 0.00 32.46 29.11 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 3.62 0.82 3.90 -0.13 0.00 0.46 -4.98 105.19 108.89 2dxb n GLY 62 Ca 0.17 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.91 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 -3.43 3.52 -0.08 4.61 0.00 -0.71 -4.74 121.76 120.91 2dxb s ALA 63 Ca 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 51.96 51.46 2dxb s ALA 63 Cb 0.00 -2.44 -0.03 0.00 0.00 0.00 0.00 23.12 20.65 2dxb s ALA 63 CO 0.00 0.02 -0.08 0.99 0.00 0.00 0.00 175.76 176.69 2dxb s THR 64 N -2.32 3.59 0.26 0.00 2.01 -1.26 -1.52 115.64 116.40 2dxb s THR 64 Ca 0.46 -0.51 0.04 0.00 0.31 0.00 0.00 61.69 61.99 2dxb s THR 64 Cb -0.10 -2.48 -0.01 0.00 0.01 0.00 0.00 72.50 69.91 2dxb s THR 64 CO 0.34 0.57 0.27 0.61 -0.69 0.00 0.00 174.62 175.73 2dxb n GLY 65 N 2.56 2.89 3.30 4.40 0.00 -0.25 -4.66 105.19 113.43 2dxb n GLY 65 Ca -0.18 -1.75 -0.32 0.00 0.00 0.00 0.00 46.02 43.77 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 -2.94 2.48 -0.03 2.61 2.01 -0.58 -1.21 115.64 117.98 2dxb s THR 66 Ca 0.28 -0.88 -0.30 0.00 0.31 0.00 0.00 61.69 61.10 2dxb s THR 66 Cb 0.01 -1.98 -0.04 0.00 0.01 0.00 0.00 72.50 70.50 2dxb s THR 66 CO 0.20 0.55 1.23 -0.63 -0.69 0.00 0.00 174.62 175.28 2dxb s ILE 67 N 0.17 4.15 -0.57 1.82 1.01 -0.54 -1.24 121.20 126.00 2dxb s ILE 67 Ca -0.11 1.49 0.06 0.00 0.00 0.00 0.00 60.65 62.09 2dxb s ILE 67 Cb -0.16 -3.96 0.00 0.00 0.01 0.00 0.00 42.46 38.35 2dxb s ILE 67 CO 0.06 0.01 0.50 1.33 0.00 0.00 0.00 174.94 176.85 2dxb n VAL 68 N 4.53 0.00 -3.63 2.92 0.24 -0.44 -0.33 118.33 121.61 2dxb n VAL 68 Ca 0.11 -0.44 -0.06 0.00 -2.04 0.00 0.00 64.34 61.91 2dxb n VAL 68 Cb 0.46 1.07 -0.06 0.00 -1.47 0.00 0.00 33.84 33.84 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 -0.98 0.30 -0.55 7.34 3.52 -1.23 -4.91 118.95 122.45 2dxb s ARG 69 Ca 0.05 0.28 -0.16 0.00 -0.13 0.00 0.00 55.73 55.76 2dxb s ARG 69 Cb 0.05 0.15 0.12 0.00 -1.56 0.00 0.00 34.95 33.71 2dxb s ARG 69 CO 0.15 -0.05 0.53 -0.51 -0.81 0.00 0.00 175.30 174.61 2dxb s LEU 70 N -0.17 6.03 0.16 -0.88 1.02 -1.26 -0.58 118.68 123.01 2dxb s LEU 70 Ca 0.05 -1.71 -0.09 0.00 0.02 0.00 0.00 54.13 52.39 2dxb s LEU 70 Cb -0.04 -2.23 0.02 0.00 0.02 0.00 0.00 46.19 43.97 2dxb s LEU 70 CO -0.09 -0.90 1.54 -0.37 0.02 0.00 0.00 176.35 176.55 2dxb h VAL 71 N 5.89 1.27 0.00 -1.59 -1.51 -1.76 -3.49 116.25 115.06 2dxb h VAL 71 Ca -0.30 -1.45 0.00 0.00 -1.23 0.00 0.00 66.70 63.72 2dxb h VAL 71 Cb 1.10 1.24 0.00 0.00 -2.13 0.00 0.00 31.29 31.49 2dxb h VAL 71 CO 1.05 0.49 0.00 0.00 -1.23 0.00 0.00 177.57 177.88 2dxb n TYR 72 N -4.09 0.00 -4.94 5.19 0.18 -1.25 -5.04 117.16 107.21 2dxb n TYR 72 Ca -0.01 0.00 -0.31 0.00 1.88 0.00 0.00 57.90 59.46 2dxb n TYR 72 Cb 0.49 0.00 -0.14 0.00 -0.38 0.00 0.00 39.34 39.31 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 -1.92 2.15 -0.15 -3.48 2.02 -1.26 -1.29 118.70 114.78 2dxb s GLU 73 Ca 0.00 -0.91 -0.34 0.00 0.02 0.00 0.00 54.97 53.74 2dxb s GLU 73 Cb 0.00 -2.16 0.13 0.00 0.10 0.00 0.00 34.13 32.20 2dxb s GLU 73 CO 0.00 0.56 1.13 0.45 0.02 0.00 0.00 175.26 177.43 2dxb s SER 74 N -0.99 -0.19 0.63 -0.19 0.15 -0.64 -4.54 113.70 107.94 2dxb s SER 74 Ca 0.12 0.00 -0.17 0.00 0.70 0.00 0.00 55.95 56.60 2dxb s SER 74 Cb -0.10 0.20 -0.01 0.00 -1.71 0.00 0.00 66.02 64.39 2dxb s SER 74 CO 0.02 -0.32 1.19 -2.84 1.20 0.00 0.00 173.24 172.48 2dxb s PRO 75 N -2.57 2.78 0.47 5.44 0.02 -1.26 -1.74 135.00 138.14 2dxb s PRO 75 Ca 0.08 1.73 -0.23 0.00 0.02 0.00 0.00 61.00 62.60 2dxb s PRO 75 Cb -0.01 -1.92 -0.07 0.00 0.02 0.00 0.00 34.50 32.52 2dxb s PRO 75 CO -0.06 -1.33 1.22 0.00 -0.33 0.00 0.00 177.00 176.50 2dxb s ALA 76 N -1.82 2.99 0.43 -1.55 0.00 -1.26 -4.78 121.76 115.78 2dxb s ALA 76 Ca 0.75 1.06 0.12 0.00 0.00 0.00 0.00 51.96 53.88 2dxb s ALA 76 Cb -0.28 -3.43 0.99 0.00 0.00 0.00 0.00 23.12 20.40 2dxb s ALA 76 CO 0.37 -0.82 2.01 0.00 0.00 0.00 0.00 175.76 177.32 2dxb h ALA 77 N 2.05 1.93 -0.27 0.00 0.00 -1.98 0.10 119.26 121.10 2dxb h ALA 77 Ca -0.50 -0.02 0.08 0.00 0.00 0.00 0.00 54.91 54.48 2dxb h ALA 77 Cb 1.26 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 2dxb h ALA 77 CO 0.60 -0.02 0.21 0.93 0.00 0.00 0.00 179.25 180.97 2dxb h GLU 78 N 0.43 0.00 0.04 0.00 3.07 -1.90 0.12 114.58 116.34 2dxb h GLU 78 Ca 0.22 0.00 -0.37 0.00 -0.50 0.00 0.00 59.36 58.72 2dxb h GLU 78 Cb 0.34 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 28.20 2dxb h GLU 78 CO -0.06 0.00 -2.11 -0.25 -1.40 0.00 0.00 179.01 175.19 2dxb n ASP 79 N -4.30 1.99 -0.03 1.42 8.00 0.18 -4.39 116.55 119.43 2dxb n ASP 79 Ca 0.04 0.18 0.03 0.00 0.71 0.00 0.00 54.79 55.75 2dxb n ASP 79 Cb 0.36 -0.75 0.39 0.00 -0.02 0.00 0.00 41.12 41.11 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 -0.41 0.60 0.00 -1.24 4.81 -0.77 -1.23 114.58 116.33 2dxb h GLU 80 Ca -0.52 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.67 2dxb h GLU 80 Cb 1.75 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 31.00 2dxb h GLU 80 CO -0.14 0.41 0.00 0.00 -0.73 0.00 0.00 179.01 178.55 2dxb n ALA 81 N -2.47 1.39 -1.09 2.92 0.00 0.41 -2.08 120.51 119.58 2dxb n ALA 81 Ca 0.04 0.07 0.09 0.00 0.00 0.00 0.00 53.44 53.63 2dxb n ALA 81 Cb 0.07 -1.27 0.12 0.00 0.00 0.00 0.00 19.45 18.37 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 -1.95 0.00 -1.10 0.00 3.72 -0.56 -4.99 117.46 112.59 2dxb n PHE 82 Ca 0.01 -0.91 -0.03 0.00 -0.05 0.00 0.00 57.45 56.47 2dxb n PHE 82 Cb 0.13 -0.14 -0.01 0.00 -0.94 0.00 0.00 39.48 38.51 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 -1.30 0.64 3.19 1.37 0.00 -0.89 -5.02 105.19 103.18 2dxb n GLY 83 Ca 0.14 -0.82 -0.37 0.00 0.00 0.00 0.00 46.02 44.97 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 -2.87 5.24 -0.03 1.61 0.02 -0.66 -4.92 114.94 113.33 2dxb s ASN 84 Ca 0.00 -1.56 0.06 0.00 -1.02 0.00 0.00 52.86 50.33 2dxb s ASN 84 Cb 0.00 -1.83 0.12 0.00 0.02 0.00 0.00 41.25 39.56 2dxb s ASN 84 CO 0.00 -0.43 1.08 -0.62 0.02 0.00 0.00 177.10 177.16 2dxb n GLU 85 N 4.70 2.65 0.23 -0.60 1.02 -1.26 -3.21 120.64 124.17 2dxb n GLU 85 Ca -0.09 -1.85 0.06 0.00 -0.02 0.00 0.00 57.16 55.27 2dxb n GLU 85 Cb 0.43 -1.17 0.53 0.00 -0.02 0.00 0.00 31.44 31.20 2dxb n GLU 85 CO 0.00 0.00 0.00 1.05 1.18 0.00 0.00 177.13 179.36 2dxb h GLU 86 N 0.37 0.00 -5.52 3.49 9.09 -1.98 -3.42 114.58 116.61 2dxb h GLU 86 Ca 0.00 0.00 -0.64 0.00 0.05 0.00 0.00 59.36 58.77 2dxb h GLU 86 Cb 0.67 0.00 -0.17 0.00 -1.65 0.00 0.00 28.75 27.60 2dxb h GLU 86 CO 0.01 0.16 -0.61 -0.80 0.05 0.00 0.00 179.01 177.82 2dxb s ASN 87 N -6.98 5.28 -0.04 3.06 0.01 -1.26 -5.10 114.94 109.91 2dxb s ASN 87 Ca -0.04 0.05 0.06 0.00 -0.71 0.00 0.00 52.86 52.22 2dxb s ASN 87 Cb 0.16 -1.76 -0.01 0.00 0.41 0.00 0.00 41.25 40.05 2dxb s ASN 87 CO 0.69 0.25 -0.22 -0.69 -1.51 0.00 0.00 177.10 175.61 2dxb s VAL 88 N -0.09 1.83 0.23 1.60 1.01 -1.26 -4.12 120.40 119.60 2dxb s VAL 88 Ca 0.05 -0.95 0.01 0.00 0.00 0.00 0.00 61.98 61.08 2dxb s VAL 88 Cb -0.13 -1.54 -0.05 0.00 0.00 0.00 0.00 36.38 34.66 2dxb s VAL 88 CO 0.02 0.51 0.08 -1.83 0.00 0.00 0.00 175.10 173.88 2dxb s GLU 89 N -0.20 1.30 0.30 2.72 -1.05 -0.71 -4.11 118.70 116.94 2dxb s GLU 89 Ca -0.01 -1.68 -0.28 0.00 -0.15 0.00 0.00 54.97 52.85 2dxb s GLU 89 Cb -0.12 -0.19 -0.09 0.00 -0.44 0.00 0.00 34.13 33.29 2dxb s GLU 89 CO 0.02 -0.27 0.99 -1.58 0.95 0.00 0.00 175.26 175.37 2dxb s TRP 90 N -3.79 3.71 -0.09 4.83 0.52 -1.26 -1.61 118.94 121.25 2dxb s TRP 90 Ca 0.34 1.79 0.00 0.00 0.02 0.00 0.00 56.10 58.26 2dxb s TRP 90 Cb 0.07 -3.05 -0.03 0.00 -1.15 0.00 0.00 33.47 29.32 2dxb s TRP 90 CO 0.11 0.02 -0.07 -0.06 0.02 0.00 0.00 176.95 176.97 2dxb s PHE 91 N -1.38 2.93 0.01 -1.98 0.40 -0.41 -0.85 117.98 116.70 2dxb s PHE 91 Ca 0.47 -0.09 0.08 0.00 -0.60 0.00 0.00 56.93 56.80 2dxb s PHE 91 Cb -0.24 -1.76 -0.02 0.00 0.51 0.00 0.00 43.02 41.51 2dxb s PHE 91 CO 0.31 0.23 -0.25 0.71 0.70 0.00 0.00 175.22 176.91 2dxb s TYR 92 N -0.54 2.22 -0.25 0.36 2.02 -0.52 -2.03 117.35 118.61 2dxb s TYR 92 Ca 0.08 -0.41 -0.16 0.00 -0.37 0.00 0.00 57.07 56.20 2dxb s TYR 92 Cb -0.12 -1.38 -0.03 0.00 -0.40 0.00 0.00 41.96 40.03 2dxb s TYR 92 CO 0.02 0.04 0.44 0.45 -1.57 0.00 0.00 175.55 174.93 2dxb s SER 93 N -0.89 6.37 -0.08 2.29 0.15 0.25 -0.97 113.70 120.81 2dxb s SER 93 Ca 0.10 0.44 0.03 0.00 0.70 0.00 0.00 55.95 57.23 2dxb s SER 93 Cb -0.10 -2.25 -0.01 0.00 -1.71 0.00 0.00 66.02 61.95 2dxb s SER 93 CO 0.00 -0.21 -0.19 -0.63 1.20 0.00 0.00 173.24 173.42 2dxb s ILE 94 N 2.01 2.61 -0.23 6.45 1.01 0.13 -1.33 121.20 131.85 2dxb s ILE 94 Ca 0.19 -0.85 -0.08 0.00 0.00 0.00 0.00 60.65 59.91 2dxb s ILE 94 Cb -0.16 -2.02 -0.04 0.00 0.01 0.00 0.00 42.46 40.26 2dxb s ILE 94 CO 0.09 0.56 0.08 -0.69 0.00 0.00 0.00 174.94 174.98 2dxb s VAL 95 N -0.10 4.56 -0.01 2.92 1.01 -0.37 -1.46 120.40 126.95 2dxb s VAL 95 Ca -0.04 -0.10 0.03 0.00 0.00 0.00 0.00 61.98 61.88 2dxb s VAL 95 Cb -0.14 -3.11 -0.03 0.00 0.00 0.00 0.00 36.38 33.10 2dxb s VAL 95 CO 0.04 0.37 -0.06 -0.36 0.00 0.00 0.00 175.10 175.09 2dxb s PHE 96 N 1.20 2.91 0.14 5.22 0.08 0.97 -1.53 117.98 126.97 2dxb s PHE 96 Ca 0.05 -0.02 -0.30 0.00 0.12 0.00 0.00 56.93 56.78 2dxb s PHE 96 Cb -0.14 -1.63 -0.07 0.00 -0.57 0.00 0.00 43.02 40.61 2dxb s PHE 96 CO 0.04 0.37 1.00 0.00 -0.10 0.00 0.00 175.22 176.53 2dxb s ALA 97 N -0.97 3.29 0.32 5.36 0.00 -1.26 -0.88 121.76 127.62 2dxb s ALA 97 Ca 0.16 0.65 0.04 0.00 0.00 0.00 0.00 51.96 52.81 2dxb s ALA 97 Cb -0.11 -3.30 0.63 0.00 0.00 0.00 0.00 23.12 20.34 2dxb s ALA 97 CO 0.07 -0.07 1.89 1.96 0.00 0.00 0.00 175.76 179.60 2dxb h GLN 98 N 5.35 0.88 0.00 0.00 1.08 -1.57 -1.13 115.11 119.73 2dxb h GLN 98 Ca -0.43 -0.05 -0.01 0.00 -1.45 0.00 0.00 58.65 56.70 2dxb h GLN 98 Cb 1.21 -0.20 -0.00 0.00 -0.05 0.00 0.00 27.48 28.44 2dxb h GLN 98 CO 0.72 0.58 -0.05 1.57 -0.95 0.00 0.00 178.83 180.70 2dxb h LYS 99 N 0.91 0.00 0.00 1.46 2.10 -1.82 -1.26 116.57 117.96 2dxb h LYS 99 Ca 0.43 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.08 2dxb h LYS 99 Cb 0.42 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.75 2dxb h LYS 99 CO -0.19 0.05 -0.07 -0.44 -2.00 0.00 0.00 179.45 176.80 2dxb h ASP 100 N 0.00 0.00 0.02 7.07 3.32 -1.59 -3.33 116.42 121.91 2dxb h ASP 100 Ca -0.00 -0.02 -0.39 0.00 0.02 0.00 0.00 57.03 56.63 2dxb h ASP 100 Cb 0.22 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.71 2dxb h ASP 100 CO 0.01 0.01 -2.34 0.18 -1.72 0.00 0.00 179.24 175.38 2dxb n LEU 101 N -2.37 2.60 -4.14 1.55 4.77 -0.61 -4.88 117.00 113.91 2dxb n LEU 101 Ca 0.05 0.07 -0.34 0.00 -0.03 0.00 0.00 56.01 55.77 2dxb n LEU 101 Cb 0.45 -0.93 -0.15 0.00 -2.33 0.00 0.00 43.42 40.47 2dxb n LEU 101 CO 0.32 0.79 -0.43 0.26 -1.33 0.00 0.00 177.39 177.00 2dxb s TRP 102 N -2.51 3.14 0.35 -1.77 0.52 -0.58 -5.01 118.94 113.08 2dxb s TRP 102 Ca -0.34 -1.89 0.12 0.00 0.02 0.00 0.00 56.10 54.01 2dxb s TRP 102 Cb 0.10 -2.01 0.91 0.00 -1.15 0.00 0.00 33.47 31.32 2dxb s TRP 102 CO 0.60 -0.80 1.78 -1.35 0.02 0.00 0.00 176.95 177.20 2dxb h PRO 103 N 7.92 0.57 -0.00 4.98 0.11 -1.87 -1.67 132.00 142.03 2dxb h PRO 103 Ca -0.27 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.80 2dxb h PRO 103 Cb 1.08 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.06 2dxb h PRO 103 CO 0.54 0.38 -0.04 -0.85 -0.21 0.00 0.00 178.00 177.82 2dxb n GLU 104 N -4.70 0.34 -1.66 1.05 0.00 -1.26 -4.91 120.64 109.49 2dxb n GLU 104 Ca 0.24 -0.03 -0.48 0.00 0.00 0.00 0.00 57.16 56.89 2dxb n GLU 104 Cb 0.70 -1.50 -0.05 0.00 0.00 0.00 0.00 31.44 30.59 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 -1.30 2.18 -2.11 -1.84 9.36 -0.63 -4.90 117.16 117.92 2dxb n TYR 105 Ca 0.12 0.25 -0.41 0.00 3.32 0.00 0.00 57.90 61.19 2dxb n TYR 105 Cb 0.28 -2.54 -0.02 0.00 -0.63 0.00 0.00 39.34 36.42 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 1.83 6.77 0.54 2.98 0.15 -1.26 -4.90 113.70 119.80 2dxb s SER 106 Ca 0.84 2.68 0.35 0.00 0.70 0.00 0.00 55.95 60.52 2dxb s SER 106 Cb -0.74 -2.65 1.65 0.00 -1.71 0.00 0.00 66.02 62.57 2dxb s SER 106 CO 0.44 -0.55 2.05 0.44 1.20 0.00 0.00 173.24 176.83 2dxb h ASP 107 N 3.55 0.00 -0.05 5.45 3.32 -1.99 -2.15 116.42 124.55 2dxb h ASP 107 Ca -0.49 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 56.53 2dxb h ASP 107 Cb 1.23 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.76 2dxb h ASP 107 CO 0.67 0.00 -0.05 0.74 -1.72 0.00 0.00 179.24 178.87 2dxb h THR 108 N 0.00 1.15 -1.65 0.35 2.02 -2.01 -2.65 112.91 110.11 2dxb h THR 108 Ca 0.00 -0.60 -0.68 0.00 0.77 0.00 0.00 66.41 65.90 2dxb h THR 108 Cb 0.30 1.08 -0.34 0.00 -1.74 0.00 0.00 68.15 67.44 2dxb h THR 108 CO 0.00 0.19 0.20 0.49 0.37 0.00 0.00 175.52 176.77 2dxb n PHE 109 N -4.34 3.16 0.27 3.16 3.72 -0.81 -4.82 117.46 117.81 2dxb n PHE 109 Ca -0.00 -2.69 0.16 0.00 -0.05 0.00 0.00 57.45 54.87 2dxb n PHE 109 Cb 0.22 -0.70 0.91 0.00 -0.94 0.00 0.00 39.48 38.97 2dxb n PHE 109 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2dxb h ALA 110 N 2.70 1.58 -0.01 4.37 0.00 -1.56 -2.76 119.26 123.58 2dxb h ALA 110 Ca 0.45 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.36 2dxb h ALA 110 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2dxb h ALA 110 CO 1.17 -0.10 -0.22 0.09 0.00 0.00 0.00 179.25 180.18 2dxb n ASN 111 N -3.76 1.10 -4.77 0.00 3.02 -1.26 -4.90 115.26 104.69 2dxb n ASN 111 Ca -0.01 -0.98 -0.40 0.00 -0.03 0.00 0.00 54.58 53.16 2dxb n ASN 111 Cb 0.17 0.11 -0.00 0.00 -0.61 0.00 0.00 39.78 39.45 2dxb n ASN 111 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 2dxb s ASP 112 N -2.43 6.29 0.25 6.41 1.01 -1.04 -4.95 116.67 122.21 2dxb s ASP 112 Ca 0.26 2.72 0.02 0.00 0.71 0.00 0.00 52.55 56.26 2dxb s ASP 112 Cb 0.19 -2.64 -0.04 0.00 1.01 0.00 0.00 42.92 41.44 2dxb s ASP 112 CO 0.49 -0.87 0.16 0.42 0.21 0.00 0.00 175.17 175.59 2dxb s THR 113 N -1.23 0.09 -0.03 -1.27 -4.23 -1.26 -1.47 115.64 106.23 2dxb s THR 113 Ca 0.56 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 59.08 2dxb s THR 113 Cb -0.39 -2.51 0.03 0.00 1.34 0.00 0.00 72.50 70.96 2dxb s THR 113 CO 0.51 0.00 -0.01 -0.22 -0.54 0.00 0.00 174.62 174.36 2dxb s LEU 114 N -3.25 1.19 -0.08 4.79 0.20 -0.06 -4.80 118.68 116.68 2dxb s LEU 114 Ca 0.39 -0.05 0.04 0.00 0.69 0.00 0.00 54.13 55.20 2dxb s LEU 114 Cb 0.06 -0.26 -0.02 0.00 -0.43 0.00 0.00 46.19 45.54 2dxb s LEU 114 CO 0.16 -0.09 -0.19 -0.70 -0.29 0.00 0.00 176.35 175.24 2dxb s GLU 115 N 1.00 2.77 0.27 1.98 2.12 -1.26 -0.02 118.70 125.56 2dxb s GLU 115 Ca -0.10 -0.80 -0.15 0.00 0.36 0.00 0.00 54.97 54.29 2dxb s GLU 115 Cb -0.14 -2.34 0.01 0.00 0.26 0.00 0.00 34.13 31.92 2dxb s GLU 115 CO -0.01 0.39 0.56 -0.08 -0.54 0.00 0.00 175.26 175.58 2dxb s THR 116 N -0.16 0.00 -0.07 -1.70 -1.32 -0.53 -4.97 115.64 106.89 2dxb s THR 116 Ca -0.02 -1.28 0.01 0.00 -1.21 0.00 0.00 61.69 59.18 2dxb s THR 116 Cb -0.14 -2.20 -0.03 0.00 -1.51 0.00 0.00 72.50 68.62 2dxb s THR 116 CO 0.04 0.00 -0.07 -1.61 -2.21 0.00 0.00 174.62 170.76 2dxb s GLU 117 N -3.85 2.82 -0.02 7.08 2.02 -1.26 0.20 118.70 125.69 2dxb s GLU 117 Ca 0.19 -0.56 -0.00 0.00 0.02 0.00 0.00 54.97 54.62 2dxb s GLU 117 Cb -0.02 -2.60 0.02 0.00 0.10 0.00 0.00 34.13 31.63 2dxb s GLU 117 CO 0.09 0.62 0.03 0.42 0.02 0.00 0.00 175.26 176.44 2dxb s ILE 118 N -0.68 -0.04 0.57 -1.63 1.01 -0.15 -4.93 121.20 115.35 2dxb s ILE 118 Ca 0.10 0.14 -0.18 0.00 0.00 0.00 0.00 60.65 60.72 2dxb s ILE 118 Cb -0.11 -0.07 -0.04 0.00 0.01 0.00 0.00 42.46 42.25 2dxb s ILE 118 CO 0.02 0.06 1.09 -2.16 0.00 0.00 0.00 174.94 173.94 2dxb s PRO 119 N 0.70 3.31 0.33 2.79 0.04 -1.26 -1.44 135.00 139.46 2dxb s PRO 119 Ca -0.06 1.40 0.11 0.00 0.04 0.00 0.00 61.00 62.50 2dxb s PRO 119 Cb -0.08 -2.02 0.99 0.00 0.04 0.00 0.00 34.50 33.43 2dxb s PRO 119 CO -0.02 -0.85 1.66 1.49 0.04 0.00 0.00 177.00 179.33 2dxb h GLU 120 N 0.80 0.30 -0.21 4.56 4.81 -1.34 -2.07 114.58 121.43 2dxb h GLU 120 Ca -0.48 -0.02 0.06 0.00 -0.13 0.00 0.00 59.36 58.79 2dxb h GLU 120 Cb 1.24 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.54 2dxb h GLU 120 CO 0.57 0.20 0.41 0.07 -0.73 0.00 0.00 179.01 179.52 2dxb h ARG 121 N 0.31 0.00 -0.02 1.92 0.11 -1.92 -0.50 114.38 114.28 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 1.52 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.60 2dxb h ARG 121 CO -0.61 0.00 -0.08 0.66 0.10 0.00 0.00 179.97 180.04 2dxb n TYR 122 N -3.29 0.00 -4.19 4.08 4.02 -0.78 -4.92 117.16 112.09 2dxb n TYR 122 Ca 0.03 0.00 -0.34 0.00 -0.01 0.00 0.00 57.90 57.58 2dxb n TYR 122 Cb 0.52 -0.02 -0.08 0.00 -0.02 0.00 0.00 39.34 39.74 2dxb n TYR 122 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 2dxb s LEU 123 N -2.11 3.78 -0.02 7.72 1.43 -0.20 -0.10 118.68 129.19 2dxb s LEU 123 Ca 0.31 0.15 -0.03 0.00 -1.03 0.00 0.00 54.13 53.54 2dxb s LEU 123 Cb 0.20 -2.07 0.00 0.00 0.03 0.00 0.00 46.19 44.35 2dxb s LEU 123 CO 0.37 0.32 0.07 -1.83 0.23 0.00 0.00 176.35 175.51 2dxb s GLU 124 N -1.39 0.16 0.29 1.70 -1.05 -1.00 -4.95 118.70 112.46 2dxb s GLU 124 Ca 0.19 -0.05 -0.30 0.00 -0.15 0.00 0.00 54.97 54.66 2dxb s GLU 124 Cb -0.12 0.07 -0.12 0.00 -0.44 0.00 0.00 34.13 33.52 2dxb s GLU 124 CO 0.09 -0.03 1.46 1.17 0.95 0.00 0.00 175.26 178.91 2dxb n LYS 125 N 2.66 2.34 0.00 -4.83 3.00 -1.26 -0.36 118.16 119.71 2dxb n LYS 125 Ca -0.15 0.83 0.15 0.00 -0.00 0.00 0.00 58.31 59.14 2dxb n LYS 125 Cb 0.58 -2.53 0.73 0.00 0.00 0.00 0.00 35.03 33.82 2dxb n LYS 125 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40