#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 1.40 -4.17 1.97 -0.02 -1.26 -5.00 135.00 127.92 2dxb n PRO 8 Ca 0.00 0.52 -0.34 0.00 -2.02 0.00 0.00 63.50 61.66 2dxb n PRO 8 Cb 0.00 -2.41 -0.14 0.00 -0.02 0.00 0.00 33.50 30.93 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 -1.35 3.32 -0.18 -1.45 1.01 -1.26 -5.09 120.40 115.40 2dxb s VAL 9 Ca 0.73 -0.53 -0.14 0.00 0.00 0.00 0.00 61.98 62.04 2dxb s VAL 9 Cb -0.43 -2.48 -0.04 0.00 0.00 0.00 0.00 36.38 33.43 2dxb s VAL 9 CO 0.49 0.46 0.30 0.26 0.00 0.00 0.00 175.10 176.61 2dxb s TRP 10 N 1.08 3.42 -0.57 5.22 0.52 -1.26 -5.02 118.94 122.32 2dxb s TRP 10 Ca 0.01 0.55 -0.28 0.00 0.02 0.00 0.00 56.10 56.40 2dxb s TRP 10 Cb -0.15 -2.38 0.01 0.00 -1.15 0.00 0.00 33.47 29.80 2dxb s TRP 10 CO -0.01 0.14 1.50 0.34 0.02 0.00 0.00 176.95 178.95 2dxb s ASP 11 N 0.71 5.96 0.00 2.95 -1.08 -1.26 -4.84 116.67 119.12 2dxb s ASP 11 Ca 0.16 0.28 0.26 0.00 -0.52 0.00 0.00 52.55 52.74 2dxb s ASP 11 Cb -0.13 -2.54 0.71 0.00 -1.46 0.00 0.00 42.92 39.49 2dxb s ASP 11 CO 0.05 -1.84 1.55 0.54 0.52 0.00 0.00 175.17 175.99 2dxb n ARG 12 N 8.81 1.86 -0.00 4.34 1.74 -1.26 -4.20 116.66 127.94 2dxb n ARG 12 Ca 0.13 -1.29 0.07 0.00 -0.77 0.00 0.00 57.85 56.00 2dxb n ARG 12 Cb 0.50 -1.47 -0.10 0.00 -1.02 0.00 0.00 32.46 30.36 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 0.55 0.00 -0.07 0.55 -2.24 -1.26 -4.71 114.28 107.10 2dxb n THR 13 Ca 0.17 -0.27 -0.10 0.00 -2.27 0.00 0.00 64.05 61.57 2dxb n THR 13 Cb 0.44 0.47 -0.04 0.00 -2.10 0.00 0.00 70.33 69.10 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 -1.06 -0.09 4.78 6.17 -1.99 -0.89 115.15 122.07 2dxb h HIS 14 Ca 0.00 0.05 0.02 0.00 0.71 0.00 0.00 60.37 61.15 2dxb h HIS 14 Cb 0.55 0.51 -0.02 0.00 2.52 0.00 0.00 27.41 30.97 2dxb h HIS 14 CO 0.00 -0.42 -0.01 1.25 0.71 0.00 0.00 177.93 179.45 2dxb h HIS 15 N -0.36 -0.03 -0.72 5.26 6.17 -1.87 -1.23 115.15 122.37 2dxb h HIS 15 Ca 0.13 0.01 0.01 0.00 0.71 0.00 0.00 60.37 61.22 2dxb h HIS 15 Cb 0.57 0.03 -0.04 0.00 2.52 0.00 0.00 27.41 30.49 2dxb h HIS 15 CO -0.52 -0.03 0.48 0.00 0.71 0.00 0.00 177.93 178.57 2dxb h ALA 16 N 1.08 0.92 0.00 5.26 0.00 -1.81 0.37 119.26 125.08 2dxb h ALA 16 Ca 0.04 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 2dxb h ALA 16 Cb 0.06 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 2dxb h ALA 16 CO -0.08 0.34 -0.22 0.87 0.00 0.00 0.00 179.25 180.16 2dxb h LYS 17 N 0.98 0.00 0.04 0.00 1.57 -0.91 -1.13 116.57 117.12 2dxb h LYS 17 Ca 0.26 0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 58.75 2dxb h LYS 17 Cb -0.11 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.17 2dxb h LYS 17 CO -0.06 0.22 -1.58 1.98 -0.57 0.00 0.00 179.45 179.44 2dxb h MET 18 N 0.00 0.09 0.00 3.15 4.05 -0.37 -3.40 114.93 118.46 2dxb h MET 18 Ca -0.00 -0.16 0.00 0.00 -0.28 0.00 0.00 59.70 59.26 2dxb h MET 18 Cb 0.47 0.06 0.00 0.00 -0.80 0.00 0.00 31.60 31.33 2dxb h MET 18 CO 0.03 0.82 -1.14 0.00 0.23 0.00 0.00 176.91 176.84 2dxb n ALA 19 N -2.60 3.30 -1.65 0.39 0.00 0.04 -4.84 120.51 115.15 2dxb n ALA 19 Ca -0.16 -0.39 -0.48 0.00 0.00 0.00 0.00 53.44 52.42 2dxb n ALA 19 Cb 1.03 -0.52 -0.05 0.00 0.00 0.00 0.00 19.45 19.91 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 -1.65 0.01 -0.63 0.00 -1.04 -0.44 -0.31 114.28 110.22 2dxb n THR 20 Ca 0.00 -0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2dxb n THR 20 Cb 0.30 -1.35 0.00 0.00 -1.82 0.00 0.00 70.33 67.47 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 3.19 1.03 0.85 3.41 0.00 -1.26 -4.73 105.19 107.68 2dxb n GLY 21 Ca 0.17 0.00 -0.05 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 0.25 0.00 -0.61 5.41 0.57 -5.16 119.36 117.82 2dxb n ILE 22 Ca 0.00 -0.06 0.00 0.00 1.00 0.00 0.00 62.75 63.69 2dxb n ILE 22 Cb 0.00 -1.55 0.00 0.00 -0.71 0.00 0.00 39.64 37.38 2dxb n ILE 22 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2dxb n GLY 23 N 2.72 1.92 3.18 7.39 0.00 0.53 -4.65 105.19 116.28 2dxb n GLY 23 Ca -0.09 -1.99 -0.32 0.00 0.00 0.00 0.00 46.02 43.62 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 3.02 -0.14 1.61 -1.08 -1.26 -0.90 116.67 117.92 2dxb s ASP 24 Ca 0.00 -0.57 0.08 0.00 -0.52 0.00 0.00 52.55 51.54 2dxb s ASP 24 Cb 0.00 -1.39 0.47 0.00 -1.46 0.00 0.00 42.92 40.54 2dxb s ASP 24 CO 0.00 0.11 1.23 -0.81 0.52 0.00 0.00 175.17 176.23 2dxb n PRO 25 N 3.82 3.15 0.09 4.34 -0.04 -1.26 -4.96 135.00 140.13 2dxb n PRO 25 Ca -0.20 -1.80 0.09 0.00 -0.04 0.00 0.00 63.50 61.56 2dxb n PRO 25 Cb 0.52 -1.93 0.56 0.00 -0.04 0.00 0.00 33.50 32.62 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 2.18 0.22 0.00 0.54 7.50 -1.76 -1.57 115.11 122.23 2dxb h GLN 26 Ca 0.02 -0.01 0.00 0.00 0.50 0.00 0.00 58.65 59.16 2dxb h GLN 26 Cb 1.40 -0.05 0.00 0.00 0.05 0.00 0.00 27.48 28.88 2dxb h GLN 26 CO 0.31 0.15 0.00 0.00 -1.50 0.00 0.00 178.83 177.78 2dxb n PHE 28 N -1.53 0.05 -1.63 0.00 3.72 -0.59 -5.00 117.46 112.48 2dxb n PHE 28 Ca 0.02 -0.04 -0.47 0.00 -0.05 0.00 0.00 57.45 56.91 2dxb n PHE 28 Cb 0.09 -0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.59 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 1.67 0.00 -1.08 4.81 -0.75 -1.84 118.16 121.96 2dxb n LYS 29 Ca 0.11 0.60 0.00 0.00 -0.87 0.00 0.00 58.31 58.15 2dxb n LYS 29 Cb 0.44 -2.24 0.00 0.00 0.02 0.00 0.00 35.03 33.26 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 2.45 3.03 0.11 3.14 0.00 -1.26 -4.87 105.19 107.80 2dxb n GLY 30 Ca 0.15 0.00 0.11 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 -1.57 0.16 0.13 1.61 2.81 -0.77 -2.75 117.12 116.74 2dxb n MET 31 Ca 0.00 0.42 0.12 0.00 -1.81 0.00 0.00 57.70 56.43 2dxb n MET 31 Cb 0.00 -1.82 0.11 0.00 -0.71 0.00 0.00 33.22 30.80 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 2.27 0.70 -0.01 3.04 0.00 -1.76 -3.42 119.26 120.06 2dxb h ALA 32 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2dxb h ALA 32 Cb 0.31 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.10 2dxb h ALA 32 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 2dxb n GLY 33 N 1.20 -0.15 3.73 0.00 0.00 -1.11 -4.81 105.19 104.05 2dxb n GLY 33 Ca 0.02 -1.05 -0.41 0.00 0.00 0.00 0.00 46.02 44.58 2dxb n GLY 33 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dxb s LYS 34 N 0.00 4.62 0.34 1.61 1.02 -1.26 -4.99 119.74 121.08 2dxb s LYS 34 Ca 0.00 1.33 -0.28 0.00 0.02 0.00 0.00 55.97 57.04 2dxb s LYS 34 Cb 0.00 -3.39 -0.10 0.00 -0.52 0.00 0.00 37.83 33.83 2dxb s LYS 34 CO 0.00 0.19 1.22 -1.54 -0.92 0.00 0.00 175.35 174.30 2dxb s SER 35 N 0.17 6.79 0.31 2.83 1.04 -1.26 -4.93 113.70 118.65 2dxb s SER 35 Ca 0.45 2.50 0.17 0.00 0.48 0.00 0.00 55.95 59.55 2dxb s SER 35 Cb -0.22 -2.63 0.28 0.00 0.10 0.00 0.00 66.02 63.55 2dxb s SER 35 CO 0.27 -0.50 1.54 0.50 0.98 0.00 0.00 173.24 176.03 2dxb h LYS 36 N 3.23 0.00 -5.26 4.02 3.64 -1.97 -3.46 116.57 116.78 2dxb h LYS 36 Ca -0.48 0.00 -0.47 0.00 -1.27 0.00 0.00 60.65 58.42 2dxb h LYS 36 Cb 1.23 0.00 -0.14 0.00 -0.41 0.00 0.00 32.23 32.91 2dxb h LYS 36 CO 0.65 0.46 -0.62 -0.06 -2.27 0.00 0.00 179.45 177.61 2dxb s PHE 37 N -3.17 1.95 0.12 1.91 0.08 -1.26 -5.12 117.98 112.50 2dxb s PHE 37 Ca 0.03 -0.92 -0.02 0.00 0.12 0.00 0.00 56.93 56.14 2dxb s PHE 37 Cb 0.09 -1.25 -0.04 0.00 -0.57 0.00 0.00 43.02 41.25 2dxb s PHE 37 CO 0.72 0.04 0.06 -0.80 -0.10 0.00 0.00 175.22 175.15 2dxb s ASN 38 N -3.47 0.31 0.24 1.36 -0.87 -1.26 -5.08 114.94 106.17 2dxb s ASN 38 Ca 0.35 -1.16 -0.30 0.00 -1.57 0.00 0.00 52.86 50.18 2dxb s ASN 38 Cb 0.08 0.29 -0.15 0.00 -0.02 0.00 0.00 41.25 41.46 2dxb s ASN 38 CO 0.15 -0.72 1.03 0.52 -2.57 0.00 0.00 177.10 175.51 2dxb n VAL 39 N -0.08 1.56 0.00 1.60 0.31 -1.26 -1.72 118.33 118.74 2dxb n VAL 39 Ca -0.07 -0.39 0.00 0.00 -0.01 0.00 0.00 64.34 63.87 2dxb n VAL 39 Cb 0.63 -0.86 0.00 0.00 -0.91 0.00 0.00 33.84 32.70 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 1.60 3.15 3.77 2.92 0.00 0.57 -5.01 105.19 112.19 2dxb n GLY 40 Ca 0.12 0.00 -0.40 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 0.03 6.33 -0.17 1.61 1.01 -0.70 -4.71 116.67 120.07 2dxb s ASP 41 Ca 0.00 2.71 -0.18 0.00 0.71 0.00 0.00 52.55 55.80 2dxb s ASP 41 Cb 0.00 -2.64 -0.04 0.00 1.01 0.00 0.00 42.92 41.25 2dxb s ASP 41 CO 0.00 -0.84 0.47 -0.13 0.21 0.00 0.00 175.17 174.88 2dxb s ARG 42 N -2.19 4.25 0.08 8.23 1.81 -1.26 -1.80 118.95 128.06 2dxb s ARG 42 Ca 0.56 0.38 0.04 0.00 -1.72 0.00 0.00 55.73 54.99 2dxb s ARG 42 Cb -0.39 -3.51 -0.03 0.00 -0.45 0.00 0.00 34.95 30.57 2dxb s ARG 42 CO 0.51 -0.00 -0.12 0.14 -0.68 0.00 0.00 175.30 175.15 2dxb s VAL 43 N 1.16 1.02 -0.01 3.52 -7.23 -0.21 -0.92 120.40 117.73 2dxb s VAL 43 Ca 0.24 -1.45 0.03 0.00 -1.81 0.00 0.00 61.98 58.98 2dxb s VAL 43 Cb -0.15 -1.18 -0.03 0.00 0.56 0.00 0.00 36.38 35.57 2dxb s VAL 43 CO 0.09 -0.38 -0.06 -0.60 -0.31 0.00 0.00 175.10 173.83 2dxb s ARG 44 N -2.22 2.61 -0.28 4.82 3.52 -0.53 -0.53 118.95 126.35 2dxb s ARG 44 Ca 0.01 -0.67 -0.23 0.00 -0.13 0.00 0.00 55.73 54.71 2dxb s ARG 44 Cb -0.07 -2.53 -0.01 0.00 -1.56 0.00 0.00 34.95 30.78 2dxb s ARG 44 CO 0.01 0.62 0.74 0.42 -0.81 0.00 0.00 175.30 176.29 2dxb s ILE 45 N -0.95 4.87 0.38 4.11 -1.09 -0.38 -2.66 121.20 125.47 2dxb s ILE 45 Ca 0.16 1.25 -0.26 0.00 -2.23 0.00 0.00 60.65 59.57 2dxb s ILE 45 Cb -0.11 -4.07 -0.09 0.00 -1.58 0.00 0.00 42.46 36.61 2dxb s ILE 45 CO 0.06 -0.12 1.17 -0.54 -1.23 0.00 0.00 174.94 174.28 2dxb s LYS 46 N 2.78 4.15 -1.21 2.79 1.02 0.50 -0.13 119.74 129.64 2dxb s LYS 46 Ca 0.31 1.87 -0.07 0.00 0.02 0.00 0.00 55.97 58.10 2dxb s LYS 46 Cb -0.15 -2.77 0.21 0.00 -0.52 0.00 0.00 37.83 34.60 2dxb s LYS 46 CO 0.10 -0.24 1.83 -3.47 -0.92 0.00 0.00 175.35 172.65 2dxb n ASP 47 N 0.27 5.99 -4.77 2.83 2.03 -1.26 -4.72 116.55 116.91 2dxb n ASP 47 Ca 0.03 -3.24 -0.36 0.00 0.52 0.00 0.00 54.79 51.75 2dxb n ASP 47 Cb 0.46 -1.38 0.01 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 -1.42 3.74 0.28 -2.67 1.43 -1.26 -4.94 118.68 113.85 2dxb s LEU 48 Ca 0.39 2.27 -0.30 0.00 -1.03 0.00 0.00 54.13 55.46 2dxb s LEU 48 Cb 0.10 -4.56 -0.13 0.00 0.03 0.00 0.00 46.19 41.63 2dxb s LEU 48 CO 0.02 -1.33 1.31 -2.65 0.23 0.00 0.00 176.35 173.92 2dxb n PRO 49 N -1.33 1.96 -0.28 1.29 -0.02 -1.26 -4.89 135.00 130.47 2dxb n PRO 49 Ca 0.12 0.69 0.08 0.00 -2.02 0.00 0.00 63.50 62.37 2dxb n PRO 49 Cb 0.50 -2.28 0.20 0.00 -0.02 0.00 0.00 33.50 31.90 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 1.50 3.22 -4.62 2.55 5.75 -1.26 -5.03 116.55 118.66 2dxb n ASP 50 Ca 0.09 -2.89 -0.48 0.00 -0.01 0.00 0.00 54.79 51.49 2dxb n ASP 50 Cb 0.33 -0.45 -0.04 0.00 -1.03 0.00 0.00 41.12 39.93 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 -0.71 2.21 0.00 -2.12 7.94 -1.26 -2.84 117.00 120.23 2dxb n LEU 51 Ca 0.18 1.13 0.00 0.00 -1.11 0.00 0.00 56.01 56.20 2dxb n LEU 51 Cb 0.74 -1.30 0.00 0.00 0.53 0.00 0.00 43.42 43.39 2dxb n LEU 51 CO 0.09 -0.86 0.00 0.49 -1.11 0.00 0.00 177.39 176.00 2dxb n PHE 52 N 2.19 0.00 -3.61 1.96 3.72 -1.26 -4.83 117.46 115.63 2dxb n PHE 52 Ca 0.15 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.47 2dxb n PHE 52 Cb 0.26 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.74 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 -0.32 -0.18 1.38 5.04 -1.13 -5.17 117.35 116.97 2dxb s TYR 53 Ca 0.00 0.66 -0.30 0.00 -2.44 0.00 0.00 57.07 54.99 2dxb s TYR 53 Cb 0.00 0.43 0.14 0.00 0.35 0.00 0.00 41.96 42.88 2dxb s TYR 53 CO 0.00 -0.24 1.07 -0.08 -1.34 0.00 0.00 175.55 174.97 2dxb s THR 54 N -0.59 0.00 -0.09 4.34 -1.32 -1.26 -4.84 115.64 111.88 2dxb s THR 54 Ca 0.02 0.00 0.13 0.00 -1.21 0.00 0.00 61.69 60.63 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 -0.04 0.00 1.09 0.54 -2.21 0.00 0.00 174.62 174.01 2dxb n ARG 55 N 0.59 1.53 -3.60 7.08 1.74 -1.26 -4.88 116.66 117.87 2dxb n ARG 55 Ca -0.08 -2.19 -0.40 0.00 -0.77 0.00 0.00 57.85 54.41 2dxb n ARG 55 Cb 0.58 -1.30 -0.08 0.00 -1.02 0.00 0.00 32.46 30.64 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 -2.21 4.19 0.23 0.55 2.01 -1.26 -5.01 115.64 114.14 2dxb s THR 56 Ca 0.22 -2.37 -0.29 0.00 0.31 0.00 0.00 61.69 59.56 2dxb s THR 56 Cb 0.19 -3.72 -0.16 0.00 0.01 0.00 0.00 72.50 68.83 2dxb s THR 56 CO 0.02 -0.85 0.83 0.23 -0.69 0.00 0.00 174.62 174.15 2dxb n MET 57 N 4.18 0.75 -0.17 4.92 2.81 -1.26 -4.88 117.12 123.46 2dxb n MET 57 Ca 0.02 0.26 0.12 0.00 -1.81 0.00 0.00 57.70 56.29 2dxb n MET 57 Cb 0.41 -1.50 0.44 0.00 -0.71 0.00 0.00 33.22 31.86 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 1.67 0.88 0.00 2.03 2.02 -1.99 -1.77 112.91 115.76 2dxb h THR 58 Ca -0.35 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 66.63 2dxb h THR 58 Cb 1.38 0.27 0.00 0.00 -1.74 0.00 0.00 68.15 68.06 2dxb h THR 58 CO 0.60 0.10 0.00 0.00 0.37 0.00 0.00 175.52 176.59 2dxb n TYR 59 N -4.50 0.14 0.58 3.16 0.18 -1.26 -1.96 117.16 113.50 2dxb n TYR 59 Ca 0.13 0.06 0.10 0.00 1.88 0.00 0.00 57.90 60.08 2dxb n TYR 59 Cb 0.40 -0.60 -0.14 0.00 -0.38 0.00 0.00 39.34 38.62 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 -1.63 0.00 -1.68 -3.48 -2.24 -0.67 -4.90 114.28 99.67 2dxb n THR 60 Ca 0.01 -0.20 -0.45 0.00 -2.27 0.00 0.00 64.05 61.14 2dxb n THR 60 Cb 0.08 0.59 -0.04 0.00 -2.10 0.00 0.00 70.33 68.87 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 -1.81 2.39 -0.52 -0.78 5.12 -0.83 -1.73 116.66 118.50 2dxb n ARG 61 Ca 0.01 0.86 0.00 0.00 -1.93 0.00 0.00 57.85 56.79 2dxb n ARG 61 Cb 0.42 -2.68 0.00 0.00 -1.16 0.00 0.00 32.46 29.05 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 3.76 1.83 3.88 -0.13 0.00 0.81 -4.98 105.19 110.37 2dxb n GLY 62 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 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 -3.40 3.29 -0.08 4.61 0.00 -0.71 -4.71 121.76 120.77 2dxb s ALA 63 Ca 0.00 -0.20 0.02 0.00 0.00 0.00 0.00 51.96 51.78 2dxb s ALA 63 Cb 0.00 -2.79 -0.02 0.00 0.00 0.00 0.00 23.12 20.31 2dxb s ALA 63 CO 0.00 -0.20 -0.11 0.99 0.00 0.00 0.00 175.76 176.43 2dxb s THR 64 N -2.59 3.28 0.28 0.00 2.01 -1.26 -1.25 115.64 116.11 2dxb s THR 64 Ca 0.52 -0.62 0.03 0.00 0.31 0.00 0.00 61.69 61.93 2dxb s THR 64 Cb -0.10 -2.33 -0.01 0.00 0.01 0.00 0.00 72.50 70.06 2dxb s THR 64 CO 0.37 0.57 0.30 0.61 -0.69 0.00 0.00 174.62 175.78 2dxb n GLY 65 N 2.66 2.77 3.32 4.40 0.00 0.31 -4.66 105.19 113.99 2dxb n GLY 65 Ca -0.18 -1.73 -0.32 0.00 0.00 0.00 0.00 46.02 43.78 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 -2.95 2.66 -0.04 2.61 2.01 -0.38 -1.04 115.64 118.51 2dxb s THR 66 Ca 0.29 -0.81 -0.30 0.00 0.31 0.00 0.00 61.69 61.18 2dxb s THR 66 Cb 0.01 -2.07 -0.04 0.00 0.01 0.00 0.00 72.50 70.40 2dxb s THR 66 CO 0.20 0.54 1.36 -0.63 -0.69 0.00 0.00 174.62 175.40 2dxb s ILE 67 N 0.24 3.90 -0.63 1.82 1.01 -0.75 -1.08 121.20 125.72 2dxb s ILE 67 Ca -0.12 1.24 0.07 0.00 0.00 0.00 0.00 60.65 61.84 2dxb s ILE 67 Cb -0.16 -3.80 -0.01 0.00 0.01 0.00 0.00 42.46 38.50 2dxb s ILE 67 CO 0.06 -0.02 0.51 1.33 0.00 0.00 0.00 174.94 176.81 2dxb n VAL 68 N 4.80 0.00 -3.64 2.92 0.24 -0.51 -0.32 118.33 121.83 2dxb n VAL 68 Ca 0.13 -0.41 -0.06 0.00 -2.04 0.00 0.00 64.34 61.96 2dxb n VAL 68 Cb 0.44 1.08 -0.07 0.00 -1.47 0.00 0.00 33.84 33.82 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 -1.19 0.26 -0.57 7.34 3.52 -1.22 -4.91 118.95 122.19 2dxb s ARG 69 Ca 0.06 0.25 -0.18 0.00 -0.13 0.00 0.00 55.73 55.73 2dxb s ARG 69 Cb 0.06 0.12 0.12 0.00 -1.56 0.00 0.00 34.95 33.69 2dxb s ARG 69 CO 0.20 -0.04 0.62 -0.51 -0.81 0.00 0.00 175.30 174.75 2dxb s LEU 70 N -0.11 5.76 0.12 -0.88 1.02 -1.26 -0.68 118.68 122.65 2dxb s LEU 70 Ca 0.05 -1.61 -0.14 0.00 0.02 0.00 0.00 54.13 52.46 2dxb s LEU 70 Cb -0.04 -2.26 -0.05 0.00 0.02 0.00 0.00 46.19 43.86 2dxb s LEU 70 CO -0.10 -1.00 1.49 -0.37 0.02 0.00 0.00 176.35 176.39 2dxb h VAL 71 N 5.90 1.29 0.00 -1.59 -1.51 -1.80 -3.49 116.25 115.05 2dxb h VAL 71 Ca -0.29 -1.32 0.00 0.00 -1.23 0.00 0.00 66.70 63.85 2dxb h VAL 71 Cb 1.09 1.36 0.00 0.00 -2.13 0.00 0.00 31.29 31.62 2dxb h VAL 71 CO 1.07 0.44 0.00 0.00 -1.23 0.00 0.00 177.57 177.85 2dxb n TYR 72 N -4.28 0.00 -4.73 5.19 0.18 -1.25 -5.05 117.16 107.22 2dxb n TYR 72 Ca -0.02 0.00 -0.30 0.00 1.88 0.00 0.00 57.90 59.46 2dxb n TYR 72 Cb 0.42 0.00 -0.14 0.00 -0.38 0.00 0.00 39.34 39.24 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 -1.23 1.88 -0.23 -3.48 2.02 -1.26 -1.44 118.70 114.97 2dxb s GLU 73 Ca 0.00 -1.08 -0.37 0.00 0.02 0.00 0.00 54.97 53.54 2dxb s GLU 73 Cb 0.00 -2.07 0.15 0.00 0.10 0.00 0.00 34.13 32.31 2dxb s GLU 73 CO 0.00 0.52 1.35 0.45 0.02 0.00 0.00 175.26 177.59 2dxb s SER 74 N -1.44 -0.04 0.54 -0.19 0.15 -0.63 -4.60 113.70 107.50 2dxb s SER 74 Ca 0.13 -0.01 -0.20 0.00 0.70 0.00 0.00 55.95 56.58 2dxb s SER 74 Cb -0.10 0.05 -0.05 0.00 -1.71 0.00 0.00 66.02 64.20 2dxb s SER 74 CO 0.04 -0.08 1.16 -2.84 1.20 0.00 0.00 173.24 172.72 2dxb s PRO 75 N -2.14 3.31 0.64 5.44 0.02 -1.26 -1.41 135.00 139.60 2dxb s PRO 75 Ca 0.12 1.71 -0.16 0.00 0.02 0.00 0.00 61.00 62.68 2dxb s PRO 75 Cb 0.00 -2.05 -0.01 0.00 0.02 0.00 0.00 34.50 32.46 2dxb s PRO 75 CO -0.03 -0.90 1.14 0.00 -0.33 0.00 0.00 177.00 176.88 2dxb s ALA 76 N -1.68 2.46 0.43 -1.55 0.00 -1.26 -4.77 121.76 115.40 2dxb s ALA 76 Ca 0.73 0.72 0.10 0.00 0.00 0.00 0.00 51.96 53.51 2dxb s ALA 76 Cb -0.27 -3.37 0.94 0.00 0.00 0.00 0.00 23.12 20.42 2dxb s ALA 76 CO 0.30 -1.26 2.03 0.00 0.00 0.00 0.00 175.76 176.83 2dxb h ALA 77 N 0.33 1.71 -0.36 0.00 0.00 -1.98 -0.77 119.26 118.19 2dxb h ALA 77 Ca -0.48 -0.09 0.10 0.00 0.00 0.00 0.00 54.91 54.44 2dxb h ALA 77 Cb 1.26 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 2dxb h ALA 77 CO 0.54 0.23 0.26 0.93 0.00 0.00 0.00 179.25 181.21 2dxb h GLU 78 N 0.29 0.04 0.02 0.00 3.07 -1.90 -0.00 114.58 116.10 2dxb h GLU 78 Ca 0.07 -0.00 -0.38 0.00 -0.50 0.00 0.00 59.36 58.55 2dxb h GLU 78 Cb 0.11 -0.01 -0.05 0.00 -0.84 0.00 0.00 28.75 27.96 2dxb h GLU 78 CO -0.00 0.03 -2.18 -0.25 -1.40 0.00 0.00 179.01 175.20 2dxb n ASP 79 N -4.44 1.98 -0.20 1.42 8.00 -0.59 -4.43 116.55 118.30 2dxb n ASP 79 Ca 0.05 0.19 0.03 0.00 0.71 0.00 0.00 54.79 55.77 2dxb n ASP 79 Cb 0.41 -0.74 0.29 0.00 -0.02 0.00 0.00 41.12 41.07 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 -0.51 0.88 0.00 -1.24 4.81 -1.03 -0.29 114.58 117.21 2dxb h GLU 80 Ca -0.55 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.63 2dxb h GLU 80 Cb 1.72 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 30.90 2dxb h GLU 80 CO -0.19 0.58 0.00 0.00 -0.73 0.00 0.00 179.01 178.67 2dxb n ALA 81 N -2.43 1.60 -1.24 2.92 0.00 -0.03 -1.86 120.51 119.48 2dxb n ALA 81 Ca 0.09 -0.05 0.08 0.00 0.00 0.00 0.00 53.44 53.56 2dxb n ALA 81 Cb 0.10 -1.18 0.11 0.00 0.00 0.00 0.00 19.45 18.48 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 -1.39 0.00 -1.13 0.00 3.72 -0.46 -4.99 117.46 113.22 2dxb n PHE 82 Ca 0.04 -0.81 -0.04 0.00 -0.05 0.00 0.00 57.45 56.59 2dxb n PHE 82 Cb 0.11 -0.13 -0.02 0.00 -0.94 0.00 0.00 39.48 38.50 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 -1.16 0.69 3.22 1.37 0.00 -0.78 -5.00 105.19 103.54 2dxb n GLY 83 Ca 0.13 -0.41 -0.41 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.54 5.75 -0.07 1.61 0.02 -0.25 -4.91 114.94 114.56 2dxb s ASN 84 Ca 0.00 -1.94 0.11 0.00 -1.02 0.00 0.00 52.86 50.02 2dxb s ASN 84 Cb 0.00 -2.03 0.31 0.00 0.02 0.00 0.00 41.25 39.55 2dxb s ASN 84 CO 0.00 -0.70 1.24 -0.62 0.02 0.00 0.00 177.10 177.04 2dxb n GLU 85 N 4.89 2.69 0.27 -0.60 1.02 -1.26 -3.29 120.64 124.36 2dxb n GLU 85 Ca -0.08 -2.25 0.16 0.00 -0.02 0.00 0.00 57.16 54.97 2dxb n GLU 85 Cb 0.41 -1.42 0.70 0.00 -0.02 0.00 0.00 31.44 31.12 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 1.28 0.00 -5.32 3.49 9.09 -1.97 -3.42 114.58 117.72 2dxb h GLU 86 Ca 0.00 0.00 -0.65 0.00 0.05 0.00 0.00 59.36 58.76 2dxb h GLU 86 Cb 0.93 0.00 -0.26 0.00 -1.65 0.00 0.00 28.75 27.77 2dxb h GLU 86 CO 0.06 0.07 -0.75 -0.80 0.05 0.00 0.00 179.01 177.64 2dxb s ASN 87 N -5.81 4.13 -0.03 3.06 0.02 -1.26 -5.11 114.94 109.95 2dxb s ASN 87 Ca -0.00 -0.30 0.08 0.00 -1.02 0.00 0.00 52.86 51.62 2dxb s ASN 87 Cb 0.10 -1.63 -0.02 0.00 0.02 0.00 0.00 41.25 39.72 2dxb s ASN 87 CO 0.55 0.17 -0.25 -0.69 0.02 0.00 0.00 177.10 176.90 2dxb s VAL 88 N 0.34 2.10 0.22 1.60 1.01 -1.26 -4.12 120.40 120.30 2dxb s VAL 88 Ca -0.10 -1.09 0.00 0.00 0.00 0.00 0.00 61.98 60.80 2dxb s VAL 88 Cb -0.16 -1.73 -0.05 0.00 0.00 0.00 0.00 36.38 34.45 2dxb s VAL 88 CO 0.05 0.58 0.11 -1.83 0.00 0.00 0.00 175.10 174.01 2dxb s GLU 89 N -0.57 1.29 0.29 2.72 -1.05 -0.50 -4.29 118.70 116.59 2dxb s GLU 89 Ca 0.09 -1.68 -0.28 0.00 -0.15 0.00 0.00 54.97 52.94 2dxb s GLU 89 Cb -0.10 -0.00 -0.09 0.00 -0.44 0.00 0.00 34.13 33.49 2dxb s GLU 89 CO -0.00 -0.33 0.97 -1.58 0.95 0.00 0.00 175.26 175.26 2dxb s TRP 90 N -3.95 3.77 -0.07 4.83 0.52 -1.26 -1.61 118.94 121.17 2dxb s TRP 90 Ca 0.37 1.82 0.01 0.00 0.02 0.00 0.00 56.10 58.32 2dxb s TRP 90 Cb 0.07 -3.00 -0.03 0.00 -1.15 0.00 0.00 33.47 29.36 2dxb s TRP 90 CO 0.12 0.17 -0.07 -0.06 0.02 0.00 0.00 176.95 177.13 2dxb s PHE 91 N -1.39 2.93 -0.03 -1.98 0.40 -0.52 -0.79 117.98 116.61 2dxb s PHE 91 Ca 0.46 -0.02 0.06 0.00 -0.60 0.00 0.00 56.93 56.83 2dxb s PHE 91 Cb -0.23 -1.73 -0.01 0.00 0.51 0.00 0.00 43.02 41.55 2dxb s PHE 91 CO 0.29 0.29 -0.21 0.71 0.70 0.00 0.00 175.22 177.00 2dxb s TYR 92 N -0.70 1.95 -0.23 0.36 2.02 -0.57 -2.19 117.35 117.99 2dxb s TYR 92 Ca 0.11 -0.42 -0.18 0.00 -0.37 0.00 0.00 57.07 56.20 2dxb s TYR 92 Cb -0.11 -1.26 -0.03 0.00 -0.40 0.00 0.00 41.96 40.15 2dxb s TYR 92 CO 0.02 -0.08 0.53 0.45 -1.57 0.00 0.00 175.55 174.90 2dxb s SER 93 N -0.38 6.52 -0.05 2.29 0.15 0.15 -0.66 113.70 121.71 2dxb s SER 93 Ca 0.05 0.62 0.05 0.00 0.70 0.00 0.00 55.95 57.37 2dxb s SER 93 Cb -0.09 -2.29 -0.02 0.00 -1.71 0.00 0.00 66.02 61.91 2dxb s SER 93 CO 0.00 -0.24 -0.21 -0.63 1.20 0.00 0.00 173.24 173.37 2dxb s ILE 94 N 1.96 2.48 -0.19 6.45 1.01 0.96 -1.42 121.20 132.45 2dxb s ILE 94 Ca 0.23 -0.93 -0.06 0.00 0.00 0.00 0.00 60.65 59.89 2dxb s ILE 94 Cb -0.15 -1.93 -0.03 0.00 0.01 0.00 0.00 42.46 40.35 2dxb s ILE 94 CO 0.09 0.58 0.03 -0.69 0.00 0.00 0.00 174.94 174.94 2dxb s VAL 95 N -0.42 4.34 0.06 2.92 1.01 -0.24 -1.30 120.40 126.77 2dxb s VAL 95 Ca 0.04 -0.19 0.06 0.00 0.00 0.00 0.00 61.98 61.90 2dxb s VAL 95 Cb -0.12 -2.95 -0.04 0.00 0.00 0.00 0.00 36.38 33.27 2dxb s VAL 95 CO 0.02 0.45 -0.13 -0.36 0.00 0.00 0.00 175.10 175.07 2dxb s PHE 96 N 0.65 2.68 0.02 5.22 0.08 0.89 -1.24 117.98 126.28 2dxb s PHE 96 Ca 0.01 -0.18 -0.27 0.00 0.12 0.00 0.00 56.93 56.62 2dxb s PHE 96 Cb -0.14 -1.48 -0.04 0.00 -0.57 0.00 0.00 43.02 40.79 2dxb s PHE 96 CO 0.02 0.34 0.83 0.00 -0.10 0.00 0.00 175.22 176.31 2dxb s ALA 97 N -1.04 3.29 0.41 5.36 0.00 -1.26 -1.06 121.76 127.45 2dxb s ALA 97 Ca 0.17 0.36 0.14 0.00 0.00 0.00 0.00 51.96 52.63 2dxb s ALA 97 Cb -0.11 -3.12 1.00 0.00 0.00 0.00 0.00 23.12 20.89 2dxb s ALA 97 CO 0.09 -0.06 1.89 1.96 0.00 0.00 0.00 175.76 179.63 2dxb h GLN 98 N 6.20 0.47 0.00 0.00 1.08 -1.60 0.03 115.11 121.30 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 -0.11 -0.00 0.00 -0.05 0.00 0.00 27.48 28.53 2dxb h GLN 98 CO 0.73 0.31 -0.09 1.57 -0.95 0.00 0.00 178.83 180.41 2dxb h LYS 99 N 0.49 0.00 0.00 1.46 2.10 -1.82 -0.68 116.57 118.12 2dxb h LYS 99 Ca 0.41 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.06 2dxb h LYS 99 Cb 0.89 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.22 2dxb h LYS 99 CO -0.16 0.09 -0.17 -0.25 -2.00 0.00 0.00 179.45 176.96 2dxb n ASP 100 N -3.87 0.20 -0.12 7.07 8.00 -0.01 -4.06 116.55 123.76 2dxb n ASP 100 Ca -0.02 0.27 -0.24 0.00 0.71 0.00 0.00 54.79 55.50 2dxb n ASP 100 Cb 0.18 -0.27 -0.10 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 -1.55 2.07 -4.22 0.64 4.77 -0.47 -4.88 117.00 113.37 2dxb n LEU 101 Ca 0.06 0.20 -0.36 0.00 -0.03 0.00 0.00 56.01 55.88 2dxb n LEU 101 Cb 0.34 -0.76 -0.13 0.00 -2.33 0.00 0.00 43.42 40.54 2dxb n LEU 101 CO 0.30 0.62 -0.30 0.26 -1.33 0.00 0.00 177.39 176.94 2dxb s TRP 102 N -2.46 3.27 0.44 -1.77 0.52 -0.39 -4.99 118.94 113.56 2dxb s TRP 102 Ca -0.34 -1.69 0.20 0.00 0.02 0.00 0.00 56.10 54.29 2dxb s TRP 102 Cb 0.12 -2.24 1.16 0.00 -1.15 0.00 0.00 33.47 31.36 2dxb s TRP 102 CO 0.47 -0.78 1.84 -1.35 0.02 0.00 0.00 176.95 177.15 2dxb h PRO 103 N 8.10 0.33 -0.01 4.98 0.11 -1.86 -1.40 132.00 142.26 2dxb h PRO 103 Ca -0.22 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.87 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 0.57 0.22 -0.04 -0.85 -0.21 0.00 0.00 178.00 177.69 2dxb n GLU 104 N -4.49 1.18 -1.69 1.05 0.00 -1.26 -4.93 120.64 110.50 2dxb n GLU 104 Ca 0.20 -0.46 -0.44 0.00 0.00 0.00 0.00 57.16 56.46 2dxb n GLU 104 Cb 0.78 -1.49 -0.02 0.00 0.00 0.00 0.00 31.44 30.71 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 -0.51 2.32 -2.38 -1.84 9.36 -0.53 -4.92 117.16 118.67 2dxb n TYR 105 Ca 0.19 0.41 -0.41 0.00 3.32 0.00 0.00 57.90 61.42 2dxb n TYR 105 Cb 0.26 -2.48 -0.04 0.00 -0.63 0.00 0.00 39.34 36.45 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 0.26 7.13 0.57 2.98 0.15 -1.26 -4.93 113.70 118.61 2dxb s SER 106 Ca 0.66 2.35 0.35 0.00 0.70 0.00 0.00 55.95 60.01 2dxb s SER 106 Cb -0.61 -2.63 1.64 0.00 -1.71 0.00 0.00 66.02 62.72 2dxb s SER 106 CO 0.51 -0.27 2.09 0.44 1.20 0.00 0.00 173.24 177.22 2dxb h ASP 107 N 4.02 0.00 -0.13 5.45 3.32 -2.00 -1.88 116.42 125.21 2dxb h ASP 107 Ca -0.47 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.57 2dxb h ASP 107 Cb 1.21 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.75 2dxb h ASP 107 CO 0.68 0.03 0.05 0.74 -1.72 0.00 0.00 179.24 179.02 2dxb h THR 108 N 0.00 1.09 -1.70 0.35 2.02 -2.02 -2.47 112.91 110.19 2dxb h THR 108 Ca -0.00 -0.31 -0.68 0.00 0.77 0.00 0.00 66.41 66.19 2dxb h THR 108 Cb 0.36 0.90 -0.34 0.00 -1.74 0.00 0.00 68.15 67.33 2dxb h THR 108 CO 0.00 0.11 0.22 0.49 0.37 0.00 0.00 175.52 176.72 2dxb n PHE 109 N -4.43 3.17 0.26 3.16 3.72 -0.70 -4.80 117.46 117.83 2dxb n PHE 109 Ca -0.00 -2.69 0.13 0.00 -0.05 0.00 0.00 57.45 54.84 2dxb n PHE 109 Cb 0.14 -0.70 0.64 0.00 -0.94 0.00 0.00 39.48 38.62 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 2.74 1.00 -0.01 4.37 0.00 -1.53 -2.83 119.26 123.01 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 0.50 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2dxb h ALA 110 CO 1.17 0.00 -0.37 0.09 0.00 0.00 0.00 179.25 180.15 2dxb n ASN 111 N -2.41 1.27 -4.77 0.00 3.02 -1.26 -4.92 115.26 106.19 2dxb n ASN 111 Ca -0.00 -1.03 -0.40 0.00 -0.03 0.00 0.00 54.58 53.12 2dxb n ASN 111 Cb 0.11 0.27 -0.01 0.00 -0.61 0.00 0.00 39.78 39.54 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 -2.55 6.57 0.33 6.41 1.01 -1.07 -4.96 116.67 122.40 2dxb s ASP 112 Ca 0.21 2.69 0.05 0.00 0.71 0.00 0.00 52.55 56.21 2dxb s ASP 112 Cb 0.19 -2.65 -0.03 0.00 1.01 0.00 0.00 42.92 41.44 2dxb s ASP 112 CO 0.56 -0.68 0.20 0.42 0.21 0.00 0.00 175.17 175.88 2dxb s THR 113 N -1.19 0.22 -0.07 -1.27 -4.23 -1.26 -1.58 115.64 106.27 2dxb s THR 113 Ca 0.52 -2.00 -0.03 0.00 -1.18 0.00 0.00 61.69 59.00 2dxb s THR 113 Cb -0.39 -2.47 0.04 0.00 1.34 0.00 0.00 72.50 71.01 2dxb s THR 113 CO 0.52 0.00 0.15 -0.22 -0.54 0.00 0.00 174.62 174.52 2dxb s LEU 114 N -3.40 0.64 -0.08 4.79 0.20 -0.22 -4.80 118.68 115.81 2dxb s LEU 114 Ca 0.36 0.30 0.03 0.00 0.69 0.00 0.00 54.13 55.51 2dxb s LEU 114 Cb 0.04 0.35 -0.02 0.00 -0.43 0.00 0.00 46.19 46.13 2dxb s LEU 114 CO 0.20 -0.16 -0.17 -0.70 -0.29 0.00 0.00 176.35 175.23 2dxb s GLU 115 N 1.29 2.84 0.19 1.98 2.12 -1.26 -0.07 118.70 125.79 2dxb s GLU 115 Ca -0.08 -0.76 -0.15 0.00 0.36 0.00 0.00 54.97 54.34 2dxb s GLU 115 Cb -0.12 -2.40 0.02 0.00 0.26 0.00 0.00 34.13 31.89 2dxb s GLU 115 CO -0.06 0.39 0.46 -0.08 -0.54 0.00 0.00 175.26 175.44 2dxb s THR 116 N -0.15 0.04 -0.11 -1.70 -1.32 -0.42 -4.96 115.64 107.02 2dxb s THR 116 Ca -0.02 -0.93 -0.05 0.00 -1.21 0.00 0.00 61.69 59.48 2dxb s THR 116 Cb -0.14 -1.64 -0.04 0.00 -1.51 0.00 0.00 72.50 69.17 2dxb s THR 116 CO 0.04 -0.17 0.06 -1.61 -2.21 0.00 0.00 174.62 170.73 2dxb s GLU 117 N -3.90 3.32 -0.01 7.08 2.02 -1.26 -0.02 118.70 125.92 2dxb s GLU 117 Ca 0.11 -0.29 0.00 0.00 0.02 0.00 0.00 54.97 54.81 2dxb s GLU 117 Cb 0.00 -3.01 0.02 0.00 0.10 0.00 0.00 34.13 31.24 2dxb s GLU 117 CO -0.02 0.66 0.02 0.42 0.02 0.00 0.00 175.26 176.36 2dxb s ILE 118 N -0.74 -0.04 0.59 -1.63 1.01 0.17 -4.94 121.20 115.62 2dxb s ILE 118 Ca 0.12 0.16 -0.18 0.00 0.00 0.00 0.00 60.65 60.75 2dxb s ILE 118 Cb -0.12 -0.07 -0.04 0.00 0.01 0.00 0.00 42.46 42.25 2dxb s ILE 118 CO 0.03 0.07 1.13 -2.16 0.00 0.00 0.00 174.94 174.01 2dxb s PRO 119 N 0.79 3.13 0.43 2.79 0.04 -1.26 -1.51 135.00 139.42 2dxb s PRO 119 Ca -0.07 1.57 0.25 0.00 0.04 0.00 0.00 61.00 62.79 2dxb s PRO 119 Cb -0.10 -1.98 1.26 0.00 0.04 0.00 0.00 34.50 33.73 2dxb s PRO 119 CO -0.02 -1.02 1.74 1.49 0.04 0.00 0.00 177.00 179.23 2dxb h GLU 120 N 0.80 0.24 -0.13 4.56 4.81 -1.32 -2.28 114.58 121.27 2dxb h GLU 120 Ca -0.49 -0.01 0.04 0.00 -0.13 0.00 0.00 59.36 58.76 2dxb h GLU 120 Cb 1.26 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.58 2dxb h GLU 120 CO 0.56 0.16 0.16 0.07 -0.73 0.00 0.00 179.01 179.23 2dxb h ARG 121 N 0.25 0.00 -0.01 1.92 0.11 -1.91 -1.03 114.38 113.72 2dxb h ARG 121 Ca 0.64 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.72 2dxb h ARG 121 Cb 1.90 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.98 2dxb h ARG 121 CO -0.27 0.00 -0.36 0.66 0.10 0.00 0.00 179.97 180.10 2dxb n TYR 122 N -3.74 0.00 -3.74 4.08 4.01 -0.86 -4.93 117.16 111.98 2dxb n TYR 122 Ca 0.00 0.00 -0.37 0.00 -0.16 0.00 0.00 57.90 57.38 2dxb n TYR 122 Cb 0.27 -0.16 -0.06 0.00 -0.31 0.00 0.00 39.34 39.08 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 -2.68 4.41 -0.02 7.72 1.43 -0.39 -0.37 118.68 128.78 2dxb s LEU 123 Ca 0.19 0.64 -0.02 0.00 -1.03 0.00 0.00 54.13 53.91 2dxb s LEU 123 Cb 0.19 -2.34 0.01 0.00 0.03 0.00 0.00 46.19 44.07 2dxb s LEU 123 CO 0.59 0.36 0.06 -1.83 0.23 0.00 0.00 176.35 175.76 2dxb s GLU 124 N -1.18 0.09 0.26 1.70 -1.05 -1.09 -4.96 118.70 112.48 2dxb s GLU 124 Ca 0.20 0.06 -0.30 0.00 -0.15 0.00 0.00 54.97 54.77 2dxb s GLU 124 Cb -0.14 0.04 -0.13 0.00 -0.44 0.00 0.00 34.13 33.47 2dxb s GLU 124 CO 0.09 -0.01 1.38 1.17 0.95 0.00 0.00 175.26 178.83 2dxb n LYS 125 N 2.96 2.05 0.00 -4.83 4.81 -1.26 -1.45 118.16 120.44 2dxb n LYS 125 Ca -0.13 0.73 0.14 0.00 -0.87 0.00 0.00 58.31 58.18 2dxb n LYS 125 Cb 0.59 -2.36 0.44 0.00 0.02 0.00 0.00 35.03 33.72 2dxb n LYS 125 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57