#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dxb n PRO 8 N 0.00 2.15 -4.63 1.97 -0.02 -1.26 -4.99 135.00 128.23 2dxb n PRO 8 Ca 0.00 0.77 -0.33 0.00 -2.02 0.00 0.00 63.50 61.92 2dxb n PRO 8 Cb 0.00 -2.44 -0.16 0.00 -0.02 0.00 0.00 33.50 30.89 2dxb n PRO 8 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2dxb s VAL 9 N -0.13 2.45 -0.18 -1.45 1.01 -1.26 -5.11 120.40 115.72 2dxb s VAL 9 Ca 0.66 -0.85 -0.09 0.00 0.00 0.00 0.00 61.98 61.70 2dxb s VAL 9 Cb -0.62 -2.01 -0.05 0.00 0.00 0.00 0.00 36.38 33.70 2dxb s VAL 9 CO 0.50 0.53 0.13 0.26 0.00 0.00 0.00 175.10 176.52 2dxb s TRP 10 N 0.77 3.45 -0.72 5.22 0.52 -1.26 -5.04 118.94 121.87 2dxb s TRP 10 Ca -0.07 0.37 -0.27 0.00 0.02 0.00 0.00 56.10 56.15 2dxb s TRP 10 Cb -0.16 -2.11 0.02 0.00 -1.15 0.00 0.00 33.47 30.07 2dxb s TRP 10 CO 0.00 0.38 1.38 0.34 0.02 0.00 0.00 176.95 179.07 2dxb s ASP 11 N 0.08 6.01 0.00 2.95 -1.08 -1.26 -4.86 116.67 118.51 2dxb s ASP 11 Ca 0.09 -0.32 0.28 0.00 -0.52 0.00 0.00 52.55 52.08 2dxb s ASP 11 Cb -0.11 -2.55 1.16 0.00 -1.46 0.00 0.00 42.92 39.95 2dxb s ASP 11 CO -0.01 -1.93 1.80 0.54 0.52 0.00 0.00 175.17 176.09 2dxb n ARG 12 N 9.34 1.56 -0.00 4.34 1.74 -1.26 -4.05 116.66 128.33 2dxb n ARG 12 Ca 0.06 -0.81 0.05 0.00 -0.77 0.00 0.00 57.85 56.38 2dxb n ARG 12 Cb 0.50 -1.47 -0.07 0.00 -1.02 0.00 0.00 32.46 30.39 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 -0.01 0.00 -0.08 0.55 -2.24 -1.26 -4.73 114.28 106.52 2dxb n THR 13 Ca 0.19 -0.25 -0.07 0.00 -2.27 0.00 0.00 64.05 61.66 2dxb n THR 13 Cb 0.31 0.72 -0.01 0.00 -2.10 0.00 0.00 70.33 69.25 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 -0.13 -0.14 4.78 -0.00 -2.00 -1.13 115.15 116.54 2dxb h HIS 14 Ca 0.00 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.40 2dxb h HIS 14 Cb 0.34 0.10 -0.01 0.00 -0.00 0.00 0.00 27.41 27.85 2dxb h HIS 14 CO 0.00 -0.11 0.08 1.25 -0.00 0.00 0.00 177.93 179.15 2dxb h HIS 15 N 0.01 0.15 -0.65 5.26 6.17 -1.86 -1.86 115.15 122.38 2dxb h HIS 15 Ca 0.14 0.00 -0.01 0.00 0.71 0.00 0.00 60.37 61.21 2dxb h HIS 15 Cb 0.21 -0.05 -0.03 0.00 2.52 0.00 0.00 27.41 30.06 2dxb h HIS 15 CO -0.27 0.09 0.35 0.00 0.71 0.00 0.00 177.93 178.81 2dxb h ALA 16 N 1.06 0.83 -0.40 5.26 0.00 -1.82 0.77 119.26 124.95 2dxb h ALA 16 Ca 0.05 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 2dxb h ALA 16 Cb -0.01 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 2dxb h ALA 16 CO -0.02 0.35 0.17 0.87 0.00 0.00 0.00 179.25 180.62 2dxb h LYS 17 N 0.88 0.56 0.15 0.00 1.57 -1.03 -1.02 116.57 117.69 2dxb h LYS 17 Ca 0.23 -0.07 -0.31 0.00 -1.87 0.00 0.00 60.65 58.63 2dxb h LYS 17 Cb 0.05 -0.11 0.01 0.00 0.08 0.00 0.00 32.23 32.26 2dxb h LYS 17 CO -0.04 0.46 -1.45 1.98 -0.57 0.00 0.00 179.45 179.83 2dxb h MET 18 N 0.56 0.33 0.00 3.15 4.05 -0.77 -3.40 114.93 118.85 2dxb h MET 18 Ca 0.14 -0.56 0.00 0.00 -0.28 0.00 0.00 59.70 59.00 2dxb h MET 18 Cb 0.10 0.21 0.00 0.00 -0.80 0.00 0.00 31.60 31.11 2dxb h MET 18 CO -0.02 1.23 -1.91 0.00 0.23 0.00 0.00 176.91 176.45 2dxb n ALA 19 N -2.65 2.92 -1.64 0.39 0.00 0.21 -4.83 120.51 114.91 2dxb n ALA 19 Ca -0.15 -0.51 -0.48 0.00 0.00 0.00 0.00 53.44 52.30 2dxb n ALA 19 Cb 1.05 -0.73 -0.04 0.00 0.00 0.00 0.00 19.45 19.73 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 -2.19 0.30 0.00 0.00 -1.04 -0.40 0.16 114.28 111.11 2dxb n THR 20 Ca -0.03 -0.08 0.00 0.00 -2.04 0.00 0.00 64.05 61.90 2dxb n THR 20 Cb 0.54 -1.26 0.00 0.00 -1.82 0.00 0.00 70.33 67.79 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 2.76 2.22 0.57 3.41 0.00 -1.26 -4.69 105.19 108.20 2dxb n GLY 21 Ca 0.16 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.05 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 -1.97 0.90 0.00 -0.61 2.08 0.42 -5.15 119.36 115.03 2dxb n ILE 22 Ca 0.00 -0.09 0.00 0.00 0.56 0.00 0.00 62.75 63.22 2dxb n ILE 22 Cb 0.00 -1.75 0.00 0.00 -0.75 0.00 0.00 39.64 37.14 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 2.21 1.61 3.06 7.39 0.00 0.12 -4.67 105.19 114.91 2dxb n GLY 23 Ca -0.23 -2.02 -0.26 0.00 0.00 0.00 0.00 46.02 43.51 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 2.08 -0.02 1.61 -1.08 -1.26 -0.86 116.67 117.14 2dxb s ASP 24 Ca 0.00 -0.36 0.04 0.00 -0.52 0.00 0.00 52.55 51.71 2dxb s ASP 24 Cb 0.00 -0.96 0.15 0.00 -1.46 0.00 0.00 42.92 40.65 2dxb s ASP 24 CO 0.00 0.06 0.96 -0.81 0.52 0.00 0.00 175.17 175.90 2dxb n PRO 25 N 3.80 1.54 -0.12 4.34 -0.04 -1.26 -4.96 135.00 138.29 2dxb n PRO 25 Ca -0.22 -0.58 0.09 0.00 -0.04 0.00 0.00 63.50 62.75 2dxb n PRO 25 Cb 0.52 -1.34 0.44 0.00 -0.04 0.00 0.00 33.50 33.07 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 0.85 0.54 0.00 0.54 7.50 -1.81 -1.61 115.11 121.12 2dxb h GLN 26 Ca 0.00 -0.03 0.00 0.00 0.50 0.00 0.00 58.65 59.12 2dxb h GLN 26 Cb 0.45 -0.12 0.00 0.00 0.05 0.00 0.00 27.48 27.86 2dxb h GLN 26 CO 0.04 0.36 0.00 0.00 -1.50 0.00 0.00 178.83 177.73 2dxb n PHE 28 N -1.43 0.09 -1.61 0.00 3.72 -0.61 -5.01 117.46 112.61 2dxb n PHE 28 Ca 0.02 -0.07 -0.49 0.00 -0.05 0.00 0.00 57.45 56.86 2dxb n PHE 28 Cb 0.05 -0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.55 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 0.92 1.44 0.00 -1.08 4.81 -0.51 -1.67 118.16 122.07 2dxb n LYS 29 Ca 0.10 0.52 0.00 0.00 -0.87 0.00 0.00 58.31 58.06 2dxb n LYS 29 Cb 0.42 -2.13 0.00 0.00 0.02 0.00 0.00 35.03 33.34 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 2.44 2.94 0.01 3.14 0.00 -1.26 -4.87 105.19 107.59 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 0.02 0.11 1.61 2.81 -0.67 -3.09 117.12 115.91 2dxb n MET 31 Ca 0.00 0.19 0.10 0.00 -1.81 0.00 0.00 57.70 56.17 2dxb n MET 31 Cb 0.00 -1.54 0.01 0.00 -0.71 0.00 0.00 33.22 30.98 2dxb n MET 31 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2dxb h ALA 32 N 2.63 0.57 0.00 3.04 0.00 -1.78 -3.42 119.26 120.31 2dxb h ALA 32 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2dxb h ALA 32 Cb 0.35 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.17 2dxb h ALA 32 CO 0.00 0.13 0.00 0.41 0.00 0.00 0.00 179.25 179.79 2dxb n GLY 33 N 1.20 -0.37 3.74 0.00 0.00 -1.18 -4.85 105.19 103.73 2dxb n GLY 33 Ca -0.01 -1.32 -0.41 0.00 0.00 0.00 0.00 46.02 44.28 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 4.55 0.35 1.61 2.20 -1.26 -5.00 119.74 122.19 2dxb s LYS 34 Ca 0.00 1.79 -0.26 0.00 -0.36 0.00 0.00 55.97 57.14 2dxb s LYS 34 Cb 0.00 -3.26 -0.09 0.00 -1.51 0.00 0.00 37.83 32.97 2dxb s LYS 34 CO 0.00 0.00 1.09 -1.54 -0.36 0.00 0.00 175.35 174.54 2dxb s SER 35 N -0.00 6.90 0.35 1.43 1.04 -1.26 -4.94 113.70 117.22 2dxb s SER 35 Ca 0.51 2.19 0.18 0.00 0.48 0.00 0.00 55.95 59.31 2dxb s SER 35 Cb -0.31 -2.61 0.24 0.00 0.10 0.00 0.00 66.02 63.44 2dxb s SER 35 CO 0.36 -0.40 1.53 0.50 0.98 0.00 0.00 173.24 176.22 2dxb h LYS 36 N 3.03 0.00 -5.19 4.02 3.64 -1.97 -3.46 116.57 116.63 2dxb h LYS 36 Ca -0.48 0.00 -0.44 0.00 -1.27 0.00 0.00 60.65 58.47 2dxb h LYS 36 Cb 1.22 0.00 -0.14 0.00 -0.41 0.00 0.00 32.23 32.90 2dxb h LYS 36 CO 0.64 0.32 -0.63 -0.06 -2.27 0.00 0.00 179.45 177.44 2dxb s PHE 37 N -3.10 1.81 0.13 1.91 0.08 -1.26 -5.13 117.98 112.42 2dxb s PHE 37 Ca 0.05 -0.93 -0.02 0.00 0.12 0.00 0.00 56.93 56.15 2dxb s PHE 37 Cb 0.07 -1.12 -0.04 0.00 -0.57 0.00 0.00 43.02 41.37 2dxb s PHE 37 CO 0.71 0.00 0.08 -0.80 -0.10 0.00 0.00 175.22 175.11 2dxb s ASN 38 N -3.41 0.28 0.10 1.36 -0.87 -1.26 -5.08 114.94 106.05 2dxb s ASN 38 Ca 0.33 -1.17 -0.36 0.00 -1.57 0.00 0.00 52.86 50.10 2dxb s ASN 38 Cb 0.07 0.31 -0.15 0.00 -0.02 0.00 0.00 41.25 41.46 2dxb s ASN 38 CO 0.13 -0.75 1.48 0.52 -2.57 0.00 0.00 177.10 175.91 2dxb n VAL 39 N -0.10 0.04 0.00 1.60 0.31 -1.26 -1.56 118.33 117.35 2dxb n VAL 39 Ca -0.06 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.27 2dxb n VAL 39 Cb 0.64 -1.18 0.00 0.00 -0.91 0.00 0.00 33.84 32.39 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 3.04 3.15 3.77 2.92 0.00 0.97 -5.00 105.19 114.03 2dxb n GLY 40 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.81 6.74 -0.19 1.61 1.01 -0.60 -4.71 116.67 119.72 2dxb s ASP 41 Ca 0.00 2.71 -0.17 0.00 0.71 0.00 0.00 52.55 55.80 2dxb s ASP 41 Cb 0.00 -2.65 -0.04 0.00 1.01 0.00 0.00 42.92 41.24 2dxb s ASP 41 CO 0.00 -0.56 0.44 -0.13 0.21 0.00 0.00 175.17 175.13 2dxb s ARG 42 N -1.74 4.20 0.11 8.23 1.81 -1.26 -1.58 118.95 128.73 2dxb s ARG 42 Ca 0.50 0.30 0.05 0.00 -1.72 0.00 0.00 55.73 54.85 2dxb s ARG 42 Cb -0.40 -3.53 -0.04 0.00 -0.45 0.00 0.00 34.95 30.53 2dxb s ARG 42 CO 0.53 -0.04 -0.12 0.14 -0.68 0.00 0.00 175.30 175.13 2dxb s VAL 43 N 1.30 1.15 0.02 3.52 -7.23 -0.39 -0.82 120.40 117.94 2dxb s VAL 43 Ca 0.21 -1.67 0.05 0.00 -1.81 0.00 0.00 61.98 58.76 2dxb s VAL 43 Cb -0.15 -1.44 -0.03 0.00 0.56 0.00 0.00 36.38 35.32 2dxb s VAL 43 CO 0.09 -0.47 -0.12 -0.60 -0.31 0.00 0.00 175.10 173.68 2dxb s ARG 44 N -2.70 2.34 -0.32 4.82 3.52 0.54 -0.77 118.95 126.38 2dxb s ARG 44 Ca 0.07 -0.83 -0.23 0.00 -0.13 0.00 0.00 55.73 54.60 2dxb s ARG 44 Cb -0.04 -2.36 0.00 0.00 -1.56 0.00 0.00 34.95 30.99 2dxb s ARG 44 CO 0.02 0.58 0.78 0.42 -0.81 0.00 0.00 175.30 176.28 2dxb s ILE 45 N -0.96 4.79 0.33 4.11 -1.09 -0.30 -2.50 121.20 125.57 2dxb s ILE 45 Ca 0.16 1.09 -0.28 0.00 -2.23 0.00 0.00 60.65 59.39 2dxb s ILE 45 Cb -0.11 -4.15 -0.10 0.00 -1.58 0.00 0.00 42.46 36.52 2dxb s ILE 45 CO 0.06 -0.29 1.23 -0.54 -1.23 0.00 0.00 174.94 174.18 2dxb s LYS 46 N 2.98 4.39 -1.35 2.79 1.02 0.28 -0.05 119.74 129.80 2dxb s LYS 46 Ca 0.32 2.06 -0.07 0.00 0.02 0.00 0.00 55.97 58.29 2dxb s LYS 46 Cb -0.14 -3.05 0.11 0.00 -0.52 0.00 0.00 37.83 34.23 2dxb s LYS 46 CO 0.14 -0.10 2.31 -3.47 -0.92 0.00 0.00 175.35 173.31 2dxb n ASP 47 N 0.81 7.26 -4.72 2.83 2.03 -1.26 -4.75 116.55 118.75 2dxb n ASP 47 Ca 0.00 -3.07 -0.34 0.00 0.52 0.00 0.00 54.79 51.91 2dxb n ASP 47 Cb 0.43 -1.42 0.09 0.00 -0.72 0.00 0.00 41.12 39.50 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 -1.27 3.30 0.33 -2.67 1.43 -1.26 -4.92 118.68 113.62 2dxb s LEU 48 Ca 0.52 2.31 -0.29 0.00 -1.03 0.00 0.00 54.13 55.64 2dxb s LEU 48 Cb 0.16 -4.58 -0.12 0.00 0.03 0.00 0.00 46.19 41.68 2dxb s LEU 48 CO -0.07 -2.24 1.42 -2.65 0.23 0.00 0.00 176.35 173.05 2dxb n PRO 49 N -2.76 2.40 -0.14 1.29 -0.02 -1.26 -4.90 135.00 129.61 2dxb n PRO 49 Ca 0.13 0.85 0.08 0.00 -2.02 0.00 0.00 63.50 62.54 2dxb n PRO 49 Cb 0.50 -2.52 0.15 0.00 -0.02 0.00 0.00 33.50 31.62 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 1.08 2.92 -4.63 2.55 5.75 -1.26 -4.98 116.55 117.98 2dxb n ASP 50 Ca 0.05 -1.86 -0.59 0.00 -0.01 0.00 0.00 54.79 52.39 2dxb n ASP 50 Cb 0.37 -0.18 -0.08 0.00 -1.03 0.00 0.00 41.12 40.20 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 0.98 1.28 0.00 -2.12 7.94 -1.26 -2.34 117.00 121.48 2dxb n LEU 51 Ca 0.14 1.14 0.00 0.00 -1.11 0.00 0.00 56.01 56.17 2dxb n LEU 51 Cb 0.47 -1.04 0.00 0.00 0.53 0.00 0.00 43.42 43.38 2dxb n LEU 51 CO 0.11 -1.08 0.00 0.49 -1.11 0.00 0.00 177.39 175.80 2dxb n PHE 52 N 3.26 0.00 -3.58 1.96 3.72 -1.26 -4.85 117.46 116.71 2dxb n PHE 52 Ca 0.24 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.51 2dxb n PHE 52 Cb 0.09 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.57 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 -0.50 -0.22 1.38 5.04 -0.99 -5.16 117.35 116.90 2dxb s TYR 53 Ca 0.00 0.98 -0.29 0.00 -2.44 0.00 0.00 57.07 55.32 2dxb s TYR 53 Cb 0.00 0.40 0.16 0.00 0.35 0.00 0.00 41.96 42.87 2dxb s TYR 53 CO 0.00 -0.38 1.17 -0.08 -1.34 0.00 0.00 175.55 174.92 2dxb s THR 54 N -0.68 0.00 -0.11 4.34 -1.32 -1.26 -4.80 115.64 111.80 2dxb s THR 54 Ca -0.03 0.00 0.16 0.00 -1.21 0.00 0.00 61.69 60.62 2dxb s THR 54 Cb -0.02 -1.00 0.25 0.00 -1.51 0.00 0.00 72.50 70.22 2dxb s THR 54 CO 0.02 0.00 1.13 0.54 -2.21 0.00 0.00 174.62 174.09 2dxb n ARG 55 N 0.68 1.10 -3.56 7.08 1.74 -1.26 -4.90 116.66 117.55 2dxb n ARG 55 Ca -0.06 -2.34 -0.41 0.00 -0.77 0.00 0.00 57.85 54.27 2dxb n ARG 55 Cb 0.58 -1.35 -0.08 0.00 -1.02 0.00 0.00 32.46 30.60 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 -2.45 4.34 0.21 0.55 2.01 -1.26 -5.01 115.64 114.03 2dxb s THR 56 Ca 0.27 -2.24 -0.29 0.00 0.31 0.00 0.00 61.69 59.75 2dxb s THR 56 Cb 0.24 -3.81 -0.16 0.00 0.01 0.00 0.00 72.50 68.77 2dxb s THR 56 CO 0.03 -0.85 0.68 0.23 -0.69 0.00 0.00 174.62 174.01 2dxb n MET 57 N 4.35 0.34 -0.20 4.92 2.81 -1.26 -4.87 117.12 123.21 2dxb n MET 57 Ca 0.01 0.12 0.06 0.00 -1.81 0.00 0.00 57.70 56.08 2dxb n MET 57 Cb 0.41 -1.25 0.34 0.00 -0.71 0.00 0.00 33.22 32.01 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 1.37 1.02 0.00 2.03 2.02 -1.99 -1.90 112.91 115.46 2dxb h THR 58 Ca -0.32 -0.27 0.00 0.00 0.77 0.00 0.00 66.41 66.59 2dxb h THR 58 Cb 1.41 0.16 0.00 0.00 -1.74 0.00 0.00 68.15 67.99 2dxb h THR 58 CO 0.59 0.14 0.00 0.00 0.37 0.00 0.00 175.52 176.62 2dxb n TYR 59 N -4.48 0.04 0.64 3.16 0.18 -1.26 -1.63 117.16 113.80 2dxb n TYR 59 Ca 0.11 0.02 0.10 0.00 1.88 0.00 0.00 57.90 60.01 2dxb n TYR 59 Cb 0.23 -0.53 -0.14 0.00 -0.38 0.00 0.00 39.34 38.52 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 -1.54 0.00 -1.69 -3.48 -2.24 -0.72 -4.90 114.28 99.73 2dxb n THR 60 Ca 0.01 -0.18 -0.45 0.00 -2.27 0.00 0.00 64.05 61.17 2dxb n THR 60 Cb 0.05 0.66 -0.04 0.00 -2.10 0.00 0.00 70.33 68.90 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 -1.76 2.45 -0.45 -0.78 5.12 -0.65 -1.63 116.66 118.96 2dxb n ARG 61 Ca 0.01 0.89 0.00 0.00 -1.93 0.00 0.00 57.85 56.82 2dxb n ARG 61 Cb 0.41 -2.72 0.00 0.00 -1.16 0.00 0.00 32.46 28.99 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 3.89 2.10 3.88 -0.13 0.00 0.92 -4.98 105.19 110.86 2dxb n GLY 62 Ca 0.18 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 -3.45 3.24 -0.09 4.61 0.00 -0.64 -4.70 121.76 120.73 2dxb s ALA 63 Ca 0.00 -0.17 0.01 0.00 0.00 0.00 0.00 51.96 51.79 2dxb s ALA 63 Cb 0.00 -2.86 -0.02 0.00 0.00 0.00 0.00 23.12 20.23 2dxb s ALA 63 CO 0.00 -0.34 -0.10 0.99 0.00 0.00 0.00 175.76 176.31 2dxb s THR 64 N -2.75 3.36 0.26 0.00 2.01 -1.26 -1.14 115.64 116.12 2dxb s THR 64 Ca 0.53 -0.59 0.04 0.00 0.31 0.00 0.00 61.69 61.98 2dxb s THR 64 Cb -0.10 -2.38 -0.02 0.00 0.01 0.00 0.00 72.50 70.01 2dxb s THR 64 CO 0.41 0.56 0.26 0.61 -0.69 0.00 0.00 174.62 175.77 2dxb n GLY 65 N 2.75 2.97 3.31 4.40 0.00 0.05 -4.66 105.19 114.02 2dxb n GLY 65 Ca -0.18 -1.77 -0.32 0.00 0.00 0.00 0.00 46.02 43.75 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 -2.97 2.45 -0.07 2.61 2.01 -0.53 -1.26 115.64 117.89 2dxb s THR 66 Ca 0.29 -0.91 -0.30 0.00 0.31 0.00 0.00 61.69 61.08 2dxb s THR 66 Cb 0.01 -1.95 -0.03 0.00 0.01 0.00 0.00 72.50 70.54 2dxb s THR 66 CO 0.20 0.56 1.19 -0.63 -0.69 0.00 0.00 174.62 175.26 2dxb s ILE 67 N -0.02 4.29 -0.48 1.82 1.01 -0.61 -0.89 121.20 126.31 2dxb s ILE 67 Ca -0.06 1.61 0.07 0.00 0.00 0.00 0.00 60.65 62.26 2dxb s ILE 67 Cb -0.15 -4.03 -0.04 0.00 0.01 0.00 0.00 42.46 38.25 2dxb s ILE 67 CO 0.05 -0.01 0.40 1.33 0.00 0.00 0.00 174.94 176.71 2dxb n VAL 68 N 4.67 0.00 -3.63 2.92 0.24 -0.52 -0.02 118.33 122.00 2dxb n VAL 68 Ca 0.11 -0.38 -0.07 0.00 -2.04 0.00 0.00 64.34 61.96 2dxb n VAL 68 Cb 0.46 1.04 -0.06 0.00 -1.47 0.00 0.00 33.84 33.81 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 -1.40 0.38 -0.55 7.34 3.52 -1.22 -4.92 118.95 122.10 2dxb s ARG 69 Ca 0.04 0.33 -0.17 0.00 -0.13 0.00 0.00 55.73 55.81 2dxb s ARG 69 Cb 0.05 0.18 0.12 0.00 -1.56 0.00 0.00 34.95 33.75 2dxb s ARG 69 CO 0.24 -0.07 0.53 -0.51 -0.81 0.00 0.00 175.30 174.68 2dxb s LEU 70 N -0.17 6.00 0.09 -0.88 1.02 -1.26 -0.81 118.68 122.66 2dxb s LEU 70 Ca 0.04 -1.69 -0.16 0.00 0.02 0.00 0.00 54.13 52.34 2dxb s LEU 70 Cb -0.04 -2.23 -0.10 0.00 0.02 0.00 0.00 46.19 43.84 2dxb s LEU 70 CO -0.07 -0.90 1.39 -0.37 0.02 0.00 0.00 176.35 176.43 2dxb h VAL 71 N 5.89 1.31 -1.88 -1.59 -1.51 -1.82 -3.49 116.25 113.16 2dxb h VAL 71 Ca -0.30 -1.48 0.32 0.00 -1.23 0.00 0.00 66.70 64.01 2dxb h VAL 71 Cb 1.10 1.67 -0.06 0.00 -2.13 0.00 0.00 31.29 31.87 2dxb h VAL 71 CO 1.04 0.47 0.80 0.00 -1.23 0.00 0.00 177.57 178.65 2dxb n TYR 72 N -4.28 -0.14 -4.99 5.19 0.18 -1.25 -5.05 117.16 106.82 2dxb n TYR 72 Ca -0.04 -0.48 -0.31 0.00 1.88 0.00 0.00 57.90 58.94 2dxb n TYR 72 Cb 0.48 0.21 -0.14 0.00 -0.38 0.00 0.00 39.34 39.51 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 -2.00 2.09 -0.19 -3.48 2.02 -1.26 -1.36 118.70 114.51 2dxb s GLU 73 Ca 0.26 -0.95 -0.34 0.00 0.02 0.00 0.00 54.97 53.96 2dxb s GLU 73 Cb -0.00 -2.12 0.14 0.00 0.10 0.00 0.00 34.13 32.25 2dxb s GLU 73 CO -0.02 0.55 1.20 0.45 0.02 0.00 0.00 175.26 177.47 2dxb s SER 74 N -0.98 -0.14 0.63 -0.19 0.15 -0.71 -4.60 113.70 107.86 2dxb s SER 74 Ca 0.12 0.02 -0.17 0.00 0.70 0.00 0.00 55.95 56.62 2dxb s SER 74 Cb -0.10 0.15 -0.01 0.00 -1.71 0.00 0.00 66.02 64.34 2dxb s SER 74 CO 0.01 -0.23 1.15 -2.84 1.20 0.00 0.00 173.24 172.54 2dxb s PRO 75 N -2.28 2.84 0.55 5.44 0.02 -1.26 -1.67 135.00 138.65 2dxb s PRO 75 Ca 0.09 1.61 -0.20 0.00 0.02 0.00 0.00 61.00 62.52 2dxb s PRO 75 Cb -0.01 -1.94 -0.05 0.00 0.02 0.00 0.00 34.50 32.52 2dxb s PRO 75 CO -0.05 -1.26 1.16 0.00 -0.33 0.00 0.00 177.00 176.53 2dxb s ALA 76 N -1.97 2.69 0.51 -1.55 0.00 -1.26 -4.78 121.76 115.39 2dxb s ALA 76 Ca 0.72 0.91 0.16 0.00 0.00 0.00 0.00 51.96 53.75 2dxb s ALA 76 Cb -0.25 -3.40 1.25 0.00 0.00 0.00 0.00 23.12 20.72 2dxb s ALA 76 CO 0.37 -0.89 2.13 0.00 0.00 0.00 0.00 175.76 177.38 2dxb h ALA 77 N 1.22 2.00 0.00 0.00 0.00 -1.98 -0.01 119.26 120.50 2dxb h ALA 77 Ca -0.50 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.41 2dxb h ALA 77 Cb 1.27 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.05 2dxb h ALA 77 CO 0.57 -0.01 -0.00 0.93 0.00 0.00 0.00 179.25 180.73 2dxb h GLU 78 N 0.04 0.00 0.02 0.00 3.07 -1.90 -0.04 114.58 115.78 2dxb h GLU 78 Ca 0.03 0.00 -0.39 0.00 -0.50 0.00 0.00 59.36 58.49 2dxb h GLU 78 Cb 0.05 0.00 -0.06 0.00 -0.84 0.00 0.00 28.75 27.90 2dxb h GLU 78 CO -0.00 0.00 -2.30 -0.25 -1.40 0.00 0.00 179.01 175.06 2dxb n ASP 79 N -4.10 1.99 -0.36 1.42 8.00 -0.18 -4.47 116.55 118.83 2dxb n ASP 79 Ca -0.03 0.11 -0.01 0.00 0.71 0.00 0.00 54.79 55.57 2dxb n ASP 79 Cb 0.08 -0.66 0.12 0.00 -0.02 0.00 0.00 41.12 40.65 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 -0.37 1.23 0.00 -1.24 4.81 -0.96 -0.16 114.58 117.89 2dxb h GLU 80 Ca -0.57 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 58.59 2dxb h GLU 80 Cb 1.78 -0.28 0.00 0.00 0.63 0.00 0.00 28.75 30.89 2dxb h GLU 80 CO -0.17 0.82 0.00 0.00 -0.73 0.00 0.00 179.01 178.93 2dxb n ALA 81 N -2.37 1.24 -1.14 2.92 0.00 -0.04 -1.68 120.51 119.44 2dxb n ALA 81 Ca 0.12 0.01 0.08 0.00 0.00 0.00 0.00 53.44 53.65 2dxb n ALA 81 Cb 0.06 -1.11 0.12 0.00 0.00 0.00 0.00 19.45 18.52 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 -1.60 0.00 -1.16 0.00 3.72 -0.67 -4.99 117.46 112.76 2dxb n PHE 82 Ca 0.01 -0.86 -0.06 0.00 -0.05 0.00 0.00 57.45 56.49 2dxb n PHE 82 Cb 0.06 -0.13 -0.02 0.00 -0.94 0.00 0.00 39.48 38.45 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 -1.23 0.81 3.18 1.37 0.00 -0.68 -5.01 105.19 103.64 2dxb n GLY 83 Ca 0.14 -0.80 -0.38 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 -2.94 5.46 0.00 1.61 0.02 -0.16 -4.91 114.94 114.03 2dxb s ASN 84 Ca 0.00 -1.83 0.06 0.00 -1.02 0.00 0.00 52.86 50.07 2dxb s ASN 84 Cb 0.00 -1.91 0.15 0.00 0.02 0.00 0.00 41.25 39.51 2dxb s ASN 84 CO 0.00 -0.57 1.10 -0.62 0.02 0.00 0.00 177.10 177.03 2dxb n GLU 85 N 4.77 2.69 0.27 -0.60 1.02 -1.26 -3.19 120.64 124.33 2dxb n GLU 85 Ca -0.06 -1.72 0.12 0.00 -0.02 0.00 0.00 57.16 55.47 2dxb n GLU 85 Cb 0.42 -1.14 0.74 0.00 -0.02 0.00 0.00 31.44 31.43 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 1.09 0.00 -5.72 3.49 9.09 -1.97 -3.42 114.58 117.13 2dxb h GLU 86 Ca 0.00 0.00 -0.67 0.00 0.05 0.00 0.00 59.36 58.74 2dxb h GLU 86 Cb 0.59 0.00 -0.23 0.00 -1.65 0.00 0.00 28.75 27.47 2dxb h GLU 86 CO 0.00 0.09 -0.72 -0.80 0.05 0.00 0.00 179.01 177.63 2dxb s ASN 87 N -6.34 4.38 -0.02 3.06 0.01 -1.26 -5.11 114.94 109.66 2dxb s ASN 87 Ca -0.04 -0.17 0.06 0.00 -0.71 0.00 0.00 52.86 52.01 2dxb s ASN 87 Cb 0.14 -1.40 -0.02 0.00 0.41 0.00 0.00 41.25 40.39 2dxb s ASN 87 CO 0.60 0.25 -0.21 -0.69 -1.51 0.00 0.00 177.10 175.54 2dxb s VAL 88 N -0.17 1.68 0.23 1.60 1.01 -1.26 -4.07 120.40 119.42 2dxb s VAL 88 Ca 0.01 -0.90 0.00 0.00 0.00 0.00 0.00 61.98 61.09 2dxb s VAL 88 Cb -0.13 -1.40 -0.05 0.00 0.00 0.00 0.00 36.38 34.80 2dxb s VAL 88 CO 0.03 0.48 0.12 -1.83 0.00 0.00 0.00 175.10 173.89 2dxb s GLU 89 N -0.44 1.32 0.32 2.72 -1.05 -0.67 -4.20 118.70 116.69 2dxb s GLU 89 Ca 0.07 -1.70 -0.27 0.00 -0.15 0.00 0.00 54.97 52.91 2dxb s GLU 89 Cb -0.09 0.01 -0.09 0.00 -0.44 0.00 0.00 34.13 33.52 2dxb s GLU 89 CO -0.00 -0.35 1.01 -1.58 0.95 0.00 0.00 175.26 175.29 2dxb s TRP 90 N -3.95 3.59 -0.07 4.83 0.52 -1.26 -1.73 118.94 120.87 2dxb s TRP 90 Ca 0.38 1.75 0.02 0.00 0.02 0.00 0.00 56.10 58.27 2dxb s TRP 90 Cb 0.07 -3.08 -0.03 0.00 -1.15 0.00 0.00 33.47 29.29 2dxb s TRP 90 CO 0.13 -0.17 -0.10 -0.06 0.02 0.00 0.00 176.95 176.77 2dxb s PHE 91 N -1.45 2.84 0.01 -1.98 0.40 -0.46 -0.97 117.98 116.37 2dxb s PHE 91 Ca 0.49 -0.13 0.07 0.00 -0.60 0.00 0.00 56.93 56.77 2dxb s PHE 91 Cb -0.24 -1.71 -0.02 0.00 0.51 0.00 0.00 43.02 41.56 2dxb s PHE 91 CO 0.30 0.20 -0.22 0.71 0.70 0.00 0.00 175.22 176.92 2dxb s TYR 92 N -0.60 1.95 -0.20 0.36 2.02 -0.70 -2.32 117.35 117.86 2dxb s TYR 92 Ca 0.09 -0.38 -0.16 0.00 -0.37 0.00 0.00 57.07 56.25 2dxb s TYR 92 Cb -0.11 -1.21 -0.04 0.00 -0.40 0.00 0.00 41.96 40.19 2dxb s TYR 92 CO 0.02 0.03 0.39 0.45 -1.57 0.00 0.00 175.55 174.87 2dxb s SER 93 N -0.83 6.43 -0.03 2.29 0.15 0.01 -1.00 113.70 120.72 2dxb s SER 93 Ca 0.09 0.51 0.06 0.00 0.70 0.00 0.00 55.95 57.31 2dxb s SER 93 Cb -0.09 -2.23 -0.01 0.00 -1.71 0.00 0.00 66.02 61.98 2dxb s SER 93 CO 0.00 -0.07 -0.23 -0.63 1.20 0.00 0.00 173.24 173.52 2dxb s ILE 94 N 1.28 1.85 -0.20 6.45 1.01 0.40 -1.44 121.20 130.54 2dxb s ILE 94 Ca 0.19 -0.98 -0.05 0.00 0.00 0.00 0.00 60.65 59.81 2dxb s ILE 94 Cb -0.15 -1.55 -0.03 0.00 0.01 0.00 0.00 42.46 40.75 2dxb s ILE 94 CO 0.08 0.52 0.01 -0.69 0.00 0.00 0.00 174.94 174.86 2dxb s VAL 95 N -0.34 4.06 0.02 2.92 1.01 -0.07 -1.83 120.40 126.17 2dxb s VAL 95 Ca 0.03 -0.28 0.03 0.00 0.00 0.00 0.00 61.98 61.76 2dxb s VAL 95 Cb -0.11 -2.84 -0.04 0.00 0.00 0.00 0.00 36.38 33.39 2dxb s VAL 95 CO 0.01 0.42 -0.03 -0.36 0.00 0.00 0.00 175.10 175.14 2dxb s PHE 96 N 1.02 2.98 0.02 5.22 0.08 0.30 -1.45 117.98 126.15 2dxb s PHE 96 Ca 0.02 0.01 -0.28 0.00 0.12 0.00 0.00 56.93 56.80 2dxb s PHE 96 Cb -0.14 -1.61 -0.04 0.00 -0.57 0.00 0.00 43.02 40.65 2dxb s PHE 96 CO 0.02 0.43 0.89 0.00 -0.10 0.00 0.00 175.22 176.46 2dxb s ALA 97 N -1.10 3.24 0.40 5.36 0.00 -1.26 -1.05 121.76 127.35 2dxb s ALA 97 Ca 0.20 0.43 0.13 0.00 0.00 0.00 0.00 51.96 52.72 2dxb s ALA 97 Cb -0.11 -3.20 0.96 0.00 0.00 0.00 0.00 23.12 20.77 2dxb s ALA 97 CO 0.11 -0.12 1.88 1.96 0.00 0.00 0.00 175.76 179.60 2dxb h GLN 98 N 6.36 0.51 0.00 0.00 1.08 -1.58 0.45 115.11 121.93 2dxb h GLN 98 Ca -0.42 -0.03 -0.02 0.00 -1.45 0.00 0.00 58.65 56.73 2dxb h GLN 98 Cb 1.21 -0.12 -0.00 0.00 -0.05 0.00 0.00 27.48 28.52 2dxb h GLN 98 CO 0.74 0.34 -0.08 1.57 -0.95 0.00 0.00 178.83 180.44 2dxb h LYS 99 N 0.53 0.00 -0.00 1.46 2.10 -1.82 -1.48 116.57 117.36 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 0.87 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.20 2dxb h LYS 99 CO -0.17 0.08 -0.14 -0.25 -2.00 0.00 0.00 179.45 176.97 2dxb n ASP 100 N -3.91 0.17 -0.11 7.07 8.00 0.14 -4.01 116.55 123.90 2dxb n ASP 100 Ca -0.02 0.19 -0.19 0.00 0.71 0.00 0.00 54.79 55.48 2dxb n ASP 100 Cb 0.18 -0.26 -0.09 0.00 -0.02 0.00 0.00 41.12 40.92 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 -1.45 2.47 -4.21 0.64 4.77 -0.65 -4.85 117.00 113.71 2dxb n LEU 101 Ca 0.07 0.04 -0.36 0.00 -0.03 0.00 0.00 56.01 55.74 2dxb n LEU 101 Cb 0.33 -0.74 -0.13 0.00 -2.33 0.00 0.00 43.42 40.55 2dxb n LEU 101 CO 0.29 0.72 -0.33 0.26 -1.33 0.00 0.00 177.39 177.00 2dxb s TRP 102 N -2.43 3.24 0.43 -1.77 0.52 -0.65 -4.99 118.94 113.28 2dxb s TRP 102 Ca -0.31 -1.69 0.21 0.00 0.02 0.00 0.00 56.10 54.33 2dxb s TRP 102 Cb 0.10 -2.15 1.17 0.00 -1.15 0.00 0.00 33.47 31.43 2dxb s TRP 102 CO 0.47 -0.77 1.80 -1.35 0.02 0.00 0.00 176.95 177.12 2dxb h PRO 103 N 8.06 0.32 -0.00 4.98 0.11 -1.87 -1.48 132.00 142.12 2dxb h PRO 103 Ca -0.23 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.86 2dxb h PRO 103 Cb 1.07 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.11 2dxb h PRO 103 CO 0.56 0.21 -0.18 -0.85 -0.21 0.00 0.00 178.00 177.53 2dxb n GLU 104 N -4.53 0.00 -1.61 1.05 0.00 -1.26 -4.94 120.64 109.36 2dxb n GLU 104 Ca 0.23 -0.00 -0.48 0.00 0.00 0.00 0.00 57.16 56.92 2dxb n GLU 104 Cb 0.88 -1.50 -0.04 0.00 0.00 0.00 0.00 31.44 30.78 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 -1.50 1.58 -2.50 -1.84 9.36 -0.56 -4.90 117.16 116.80 2dxb n TYR 105 Ca 0.06 0.59 -0.40 0.00 3.32 0.00 0.00 57.90 61.47 2dxb n TYR 105 Cb 0.34 -2.34 -0.04 0.00 -0.63 0.00 0.00 39.34 36.66 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 0.14 7.30 0.59 2.98 0.15 -1.26 -4.93 113.70 118.67 2dxb s SER 106 Ca 0.73 2.21 0.37 0.00 0.70 0.00 0.00 55.95 59.95 2dxb s SER 106 Cb -0.80 -2.62 1.82 0.00 -1.71 0.00 0.00 66.02 62.71 2dxb s SER 106 CO 0.51 -0.14 2.16 0.44 1.20 0.00 0.00 173.24 177.41 2dxb h ASP 107 N 4.14 0.00 -0.47 5.45 3.32 -1.99 -2.12 116.42 124.75 2dxb h ASP 107 Ca -0.46 0.00 0.04 0.00 0.02 0.00 0.00 57.03 56.63 2dxb h ASP 107 Cb 1.21 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.73 2dxb h ASP 107 CO 0.68 0.03 0.32 0.74 -1.72 0.00 0.00 179.24 179.29 2dxb h THR 108 N 0.00 1.03 -1.55 0.35 2.02 -2.01 -1.94 112.91 110.81 2dxb h THR 108 Ca -0.00 -0.17 -0.65 0.00 0.77 0.00 0.00 66.41 66.35 2dxb h THR 108 Cb 0.27 0.48 -0.36 0.00 -1.74 0.00 0.00 68.15 66.79 2dxb h THR 108 CO 0.00 0.09 -0.04 0.49 0.37 0.00 0.00 175.52 176.44 2dxb n PHE 109 N -4.48 3.19 0.27 3.16 3.72 -0.80 -4.83 117.46 117.70 2dxb n PHE 109 Ca 0.05 -2.75 0.18 0.00 -0.05 0.00 0.00 57.45 54.88 2dxb n PHE 109 Cb 0.16 -0.57 0.95 0.00 -0.94 0.00 0.00 39.48 39.08 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 2.63 1.00 -0.01 4.37 0.00 -1.42 -2.66 119.26 123.17 2dxb h ALA 110 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.33 2dxb h ALA 110 Cb 0.69 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.48 2dxb h ALA 110 CO 1.09 0.00 -0.38 0.09 0.00 0.00 0.00 179.25 180.04 2dxb n ASN 111 N -2.74 1.24 -4.78 0.00 3.02 -1.26 -4.90 115.26 105.84 2dxb n ASN 111 Ca -0.02 -1.00 -0.41 0.00 -0.03 0.00 0.00 54.58 53.12 2dxb n ASN 111 Cb 0.07 0.29 -0.01 0.00 -0.61 0.00 0.00 39.78 39.52 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 -2.57 6.48 0.25 6.41 1.11 -1.01 -4.95 116.67 122.40 2dxb s ASP 112 Ca 0.21 2.93 0.01 0.00 0.18 0.00 0.00 52.55 55.88 2dxb s ASP 112 Cb 0.19 -2.66 -0.04 0.00 1.07 0.00 0.00 42.92 41.47 2dxb s ASP 112 CO 0.57 -0.76 0.12 0.42 1.18 0.00 0.00 175.17 176.70 2dxb s THR 113 N -1.12 0.29 -0.04 -1.27 -4.23 -1.26 -1.49 115.64 106.52 2dxb s THR 113 Ca 0.52 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 59.04 2dxb s THR 113 Cb -0.44 -2.56 0.02 0.00 1.34 0.00 0.00 72.50 70.86 2dxb s THR 113 CO 0.60 0.00 -0.04 -0.22 -0.54 0.00 0.00 174.62 174.42 2dxb s LEU 114 N -3.27 1.35 -0.07 4.79 0.20 -0.21 -4.82 118.68 116.65 2dxb s LEU 114 Ca 0.38 -0.12 0.04 0.00 0.69 0.00 0.00 54.13 55.12 2dxb s LEU 114 Cb 0.07 -0.42 -0.02 0.00 -0.43 0.00 0.00 46.19 45.39 2dxb s LEU 114 CO 0.14 -0.05 -0.19 -0.70 -0.29 0.00 0.00 176.35 175.25 2dxb s GLU 115 N 0.87 2.72 0.22 1.98 2.12 -1.26 -0.53 118.70 124.81 2dxb s GLU 115 Ca -0.11 -0.80 -0.18 0.00 0.36 0.00 0.00 54.97 54.23 2dxb s GLU 115 Cb -0.14 -2.32 0.03 0.00 0.26 0.00 0.00 34.13 31.95 2dxb s GLU 115 CO 0.00 0.41 0.57 -0.08 -0.54 0.00 0.00 175.26 175.62 2dxb s THR 116 N -0.21 0.01 -0.05 -1.70 -1.32 -0.76 -4.98 115.64 106.64 2dxb s THR 116 Ca -0.01 -0.84 -0.01 0.00 -1.21 0.00 0.00 61.69 59.62 2dxb s THR 116 Cb -0.13 -1.70 -0.04 0.00 -1.51 0.00 0.00 72.50 69.12 2dxb s THR 116 CO 0.03 -0.07 0.04 -1.61 -2.21 0.00 0.00 174.62 170.80 2dxb s GLU 117 N -3.89 3.00 -0.05 7.08 2.02 -1.26 -0.45 118.70 125.14 2dxb s GLU 117 Ca 0.10 -0.45 -0.03 0.00 0.02 0.00 0.00 54.97 54.62 2dxb s GLU 117 Cb -0.02 -2.82 0.03 0.00 0.10 0.00 0.00 34.13 31.42 2dxb s GLU 117 CO -0.00 0.68 0.12 0.42 0.02 0.00 0.00 175.26 176.49 2dxb s ILE 118 N -1.03 -0.04 0.56 -1.63 1.01 -0.17 -4.94 121.20 114.96 2dxb s ILE 118 Ca 0.18 0.14 -0.19 0.00 0.00 0.00 0.00 60.65 60.78 2dxb s ILE 118 Cb -0.12 -0.19 -0.05 0.00 0.01 0.00 0.00 42.46 42.11 2dxb s ILE 118 CO 0.08 0.06 1.11 -2.16 0.00 0.00 0.00 174.94 174.02 2dxb s PRO 119 N 0.87 3.32 0.36 2.79 0.04 -1.26 -1.73 135.00 139.38 2dxb s PRO 119 Ca -0.07 1.51 0.17 0.00 0.04 0.00 0.00 61.00 62.65 2dxb s PRO 119 Cb -0.09 -2.01 1.13 0.00 0.04 0.00 0.00 34.50 33.57 2dxb s PRO 119 CO -0.04 -0.86 1.68 1.49 0.04 0.00 0.00 177.00 179.31 2dxb h GLU 120 N 0.99 0.31 -0.44 4.56 4.81 -1.41 -2.11 114.58 121.29 2dxb h GLU 120 Ca -0.49 -0.02 0.13 0.00 -0.13 0.00 0.00 59.36 58.85 2dxb h GLU 120 Cb 1.25 -0.07 -0.02 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 0.00 179.01 179.53 2dxb h ARG 121 N 0.32 0.00 -0.01 1.92 0.11 -1.91 -0.45 114.38 114.35 2dxb h ARG 121 Ca 0.72 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.80 2dxb h ARG 121 Cb 1.75 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.83 2dxb h ARG 121 CO -0.53 0.00 -0.04 0.66 0.10 0.00 0.00 179.97 180.15 2dxb n TYR 122 N -3.92 0.00 -4.11 4.08 4.01 -0.79 -4.92 117.16 111.51 2dxb n TYR 122 Ca 0.08 0.00 -0.33 0.00 -0.16 0.00 0.00 57.90 57.49 2dxb n TYR 122 Cb 0.60 -0.03 -0.07 0.00 -0.31 0.00 0.00 39.34 39.53 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 -2.10 3.89 -0.05 7.72 1.43 -0.18 -0.56 118.68 128.83 2dxb s LEU 123 Ca 0.37 0.14 -0.10 0.00 -1.03 0.00 0.00 54.13 53.51 2dxb s LEU 123 Cb 0.21 -2.27 0.02 0.00 0.03 0.00 0.00 46.19 44.18 2dxb s LEU 123 CO 0.37 0.27 0.23 -1.83 0.23 0.00 0.00 176.35 175.63 2dxb s GLU 124 N -1.74 0.44 0.26 1.70 -1.05 -1.04 -4.94 118.70 112.33 2dxb s GLU 124 Ca 0.23 -0.01 -0.31 0.00 -0.15 0.00 0.00 54.97 54.73 2dxb s GLU 124 Cb -0.12 0.20 -0.13 0.00 -0.44 0.00 0.00 34.13 33.64 2dxb s GLU 124 CO 0.14 -0.09 1.43 1.63 0.95 0.00 0.00 175.26 179.32 2dxb n LYS 125 N 2.10 2.19 0.00 -4.83 4.76 -1.26 -0.34 118.16 120.78 2dxb n LYS 125 Ca -0.18 0.78 0.02 0.00 -2.87 0.00 0.00 58.31 56.06 2dxb n LYS 125 Cb 0.57 -2.45 0.10 0.00 -1.84 0.00 0.00 35.03 31.41 2dxb n LYS 125 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03