#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dxc n PRO 8 N 0.00 1.55 -5.17 1.64 -0.02 -1.26 -5.02 135.00 126.72 2dxc n PRO 8 Ca 0.00 0.56 -0.31 0.00 -2.02 0.00 0.00 63.50 61.72 2dxc n PRO 8 Cb 0.00 -2.18 -0.17 0.00 -0.02 0.00 0.00 33.50 31.13 2dxc n PRO 8 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2dxc s VAL 9 N -1.25 1.99 -0.16 -1.45 1.01 -1.26 -5.12 120.40 114.16 2dxc s VAL 9 Ca 0.63 -0.98 -0.07 0.00 0.00 0.00 0.00 61.98 61.56 2dxc s VAL 9 Cb -0.53 -1.72 -0.04 0.00 0.00 0.00 0.00 36.38 34.08 2dxc s VAL 9 CO 0.57 0.54 0.09 0.26 0.00 0.00 0.00 175.10 176.56 2dxc s TRP 10 N 0.34 3.36 -0.55 5.22 0.52 -1.26 -5.05 118.94 121.52 2dxc s TRP 10 Ca -0.18 0.25 -0.27 0.00 0.02 0.00 0.00 56.10 55.93 2dxc s TRP 10 Cb -0.18 -2.03 0.03 0.00 -1.15 0.00 0.00 33.47 30.15 2dxc s TRP 10 CO 0.08 0.36 1.07 0.34 0.02 0.00 0.00 176.95 178.82 2dxc s ASP 11 N -0.10 6.43 0.00 2.95 -1.08 -1.26 -4.88 116.67 118.74 2dxc s ASP 11 Ca 0.08 -0.01 0.21 0.00 -0.52 0.00 0.00 52.55 52.31 2dxc s ASP 11 Cb -0.12 -2.50 0.53 0.00 -1.46 0.00 0.00 42.92 39.37 2dxc s ASP 11 CO 0.01 -1.32 1.45 0.54 0.52 0.00 0.00 175.17 176.36 2dxc n ARG 12 N 7.90 2.26 -0.01 4.34 1.74 -1.26 -4.22 116.66 127.41 2dxc n ARG 12 Ca 0.06 -1.92 0.04 0.00 -0.77 0.00 0.00 57.85 55.27 2dxc n ARG 12 Cb 0.48 -1.46 -0.09 0.00 -1.02 0.00 0.00 32.46 30.38 2dxc n ARG 12 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 2dxc n THR 13 N 1.10 0.09 -0.11 0.55 -2.24 -1.26 -4.75 114.28 107.65 2dxc n THR 13 Ca 0.18 -0.28 -0.10 0.00 -2.27 0.00 0.00 64.05 61.59 2dxc n THR 13 Cb 0.50 0.13 -0.04 0.00 -2.10 0.00 0.00 70.33 68.82 2dxc n THR 13 CO 0.00 0.00 0.00 -0.74 -0.57 0.00 0.00 175.07 173.76 2dxc h HIS 14 N 0.00 -1.16 -0.26 4.78 -0.00 -2.00 -0.96 115.15 115.55 2dxc h HIS 14 Ca -0.03 0.06 0.02 0.00 -0.00 0.00 0.00 60.37 60.42 2dxc h HIS 14 Cb 0.65 0.56 -0.02 0.00 -0.00 0.00 0.00 27.41 28.60 2dxc h HIS 14 CO 0.00 -0.43 0.12 1.25 -0.00 0.00 0.00 177.93 178.87 2dxc h HIS 15 N -0.32 0.22 -0.40 5.26 6.17 -1.87 -1.25 115.15 122.97 2dxc h HIS 15 Ca 0.14 0.01 -0.02 0.00 0.71 0.00 0.00 60.37 61.22 2dxc h HIS 15 Cb 0.58 -0.06 -0.02 0.00 2.52 0.00 0.00 27.41 30.43 2dxc h HIS 15 CO -0.59 0.12 0.18 0.00 0.71 0.00 0.00 177.93 178.35 2dxc h ALA 16 N 1.14 0.51 -0.48 5.26 0.00 -1.81 0.14 119.26 124.02 2dxc h ALA 16 Ca 0.11 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2dxc h ALA 16 Cb 0.04 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 2dxc h ALA 16 CO -0.08 0.08 0.26 0.87 0.00 0.00 0.00 179.25 180.38 2dxc h LYS 17 N 0.50 0.66 0.18 0.00 1.57 -0.99 -0.56 116.57 117.93 2dxc h LYS 17 Ca 0.14 -0.07 -0.32 0.00 -1.87 0.00 0.00 60.65 58.53 2dxc h LYS 17 Cb 0.14 -0.14 0.03 0.00 0.08 0.00 0.00 32.23 32.34 2dxc h LYS 17 CO -0.02 0.50 -1.35 1.98 -0.57 0.00 0.00 179.45 179.99 2dxc h MET 18 N 0.67 0.58 0.00 3.15 4.05 -0.82 -3.39 114.93 119.17 2dxc h MET 18 Ca 0.17 -0.87 0.00 0.00 -0.28 0.00 0.00 59.70 58.73 2dxc h MET 18 Cb 0.03 0.30 0.00 0.00 -0.80 0.00 0.00 31.60 31.14 2dxc h MET 18 CO -0.03 1.40 -1.49 0.00 0.23 0.00 0.00 176.91 177.03 2dxc n ALA 19 N -2.69 3.73 -1.68 0.39 0.00 0.00 -4.86 120.51 115.40 2dxc n ALA 19 Ca -0.15 -0.55 -0.46 0.00 0.00 0.00 0.00 53.44 52.28 2dxc n ALA 19 Cb 1.04 -0.74 -0.04 0.00 0.00 0.00 0.00 19.45 19.71 2dxc n ALA 19 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2dxc n THR 20 N -1.87 0.26 -0.94 0.00 -1.04 -0.23 -0.19 114.28 110.26 2dxc n THR 20 Ca -0.00 -0.05 0.00 0.00 -2.04 0.00 0.00 64.05 61.96 2dxc n THR 20 Cb 0.44 -1.74 0.00 0.00 -1.82 0.00 0.00 70.33 67.21 2dxc n THR 20 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2dxc n GLY 21 N 3.88 0.98 1.07 3.41 0.00 -1.26 -4.76 105.19 108.51 2dxc n GLY 21 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 2dxc n GLY 21 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2dxc n ILE 22 N -2.00 0.10 0.00 -0.61 -0.00 0.09 -5.16 119.36 111.77 2dxc n ILE 22 Ca 0.00 0.03 0.00 0.00 -0.00 0.00 0.00 62.75 62.78 2dxc n ILE 22 Cb 0.00 -1.44 0.00 0.00 -0.00 0.00 0.00 39.64 38.20 2dxc n ILE 22 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 2dxc n GLY 23 N 2.94 1.55 3.05 7.39 0.00 0.73 -4.67 105.19 116.19 2dxc n GLY 23 Ca 0.00 -2.05 -0.26 0.00 0.00 0.00 0.00 46.02 43.71 2dxc n GLY 23 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2dxc s ASP 24 N 0.00 2.04 -0.00 1.61 -1.08 -1.26 -0.74 116.67 117.24 2dxc s ASP 24 Ca 0.00 -0.35 0.01 0.00 -0.52 0.00 0.00 52.55 51.70 2dxc s ASP 24 Cb 0.00 -0.93 0.04 0.00 -1.46 0.00 0.00 42.92 40.57 2dxc s ASP 24 CO 0.00 0.04 1.03 -0.81 0.52 0.00 0.00 175.17 175.95 2dxc n PRO 25 N 3.88 1.11 -0.18 4.34 -0.04 -1.26 -4.96 135.00 137.90 2dxc n PRO 25 Ca -0.21 -0.17 0.17 0.00 -0.04 0.00 0.00 63.50 63.24 2dxc n PRO 25 Cb 0.52 -1.04 0.52 0.00 -0.04 0.00 0.00 33.50 33.46 2dxc n PRO 25 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 2dxc h GLN 26 N 0.28 0.37 0.00 0.54 7.50 -1.81 -0.85 115.11 121.15 2dxc h GLN 26 Ca 0.00 -0.02 0.00 0.00 0.50 0.00 0.00 58.65 59.13 2dxc h GLN 26 Cb 0.07 -0.08 0.00 0.00 0.05 0.00 0.00 27.48 27.51 2dxc h GLN 26 CO 0.00 0.25 0.00 0.00 -1.50 0.00 0.00 178.83 177.58 2dxc n PHE 28 N -1.45 0.00 -1.62 0.00 3.72 -0.33 -5.00 117.46 112.79 2dxc n PHE 28 Ca 0.03 0.00 -0.49 0.00 -0.05 0.00 0.00 57.45 56.94 2dxc n PHE 28 Cb 0.11 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.60 2dxc n PHE 28 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 2dxc n LYS 29 N 0.52 1.51 0.00 -1.08 4.81 -0.84 -1.60 118.16 121.49 2dxc n LYS 29 Ca 0.09 0.54 0.00 0.00 -0.87 0.00 0.00 58.31 58.07 2dxc n LYS 29 Cb 0.40 -2.18 0.00 0.00 0.02 0.00 0.00 35.03 33.27 2dxc n LYS 29 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2dxc n GLY 30 N 2.56 2.56 0.07 3.14 0.00 -1.26 -4.88 105.19 107.37 2dxc n GLY 30 Ca 0.16 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.32 2dxc n GLY 30 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2dxc n MET 31 N -2.00 0.16 0.05 1.61 2.81 -0.63 -3.52 117.12 115.60 2dxc n MET 31 Ca 0.00 0.14 0.12 0.00 -1.81 0.00 0.00 57.70 56.16 2dxc n MET 31 Cb 0.00 -1.69 0.22 0.00 -0.71 0.00 0.00 33.22 31.04 2dxc n MET 31 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2dxc n ALA 32 N -1.68 3.01 -0.13 3.04 0.00 -1.26 -4.59 120.51 118.90 2dxc n ALA 32 Ca 0.06 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.24 2dxc n ALA 32 Cb 0.39 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.65 2dxc n ALA 32 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2dxc n GLY 33 N 1.38 -0.83 3.73 0.00 0.00 -1.23 -4.80 105.19 103.44 2dxc n GLY 33 Ca 0.04 -1.18 -0.41 0.00 0.00 0.00 0.00 46.02 44.47 2dxc n GLY 33 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2dxc s LYS 34 N 0.00 4.48 0.37 1.61 2.20 -1.26 -4.99 119.74 122.15 2dxc s LYS 34 Ca 0.00 1.84 -0.26 0.00 -0.36 0.00 0.00 55.97 57.19 2dxc s LYS 34 Cb 0.00 -3.27 -0.09 0.00 -1.51 0.00 0.00 37.83 32.96 2dxc s LYS 34 CO 0.00 -0.13 1.18 -1.54 -0.36 0.00 0.00 175.35 174.50 2dxc s SER 35 N 0.39 6.66 0.26 1.43 1.04 -1.26 -4.94 113.70 117.28 2dxc s SER 35 Ca 0.54 2.39 0.14 0.00 0.48 0.00 0.00 55.95 59.50 2dxc s SER 35 Cb -0.32 -2.62 0.15 0.00 0.10 0.00 0.00 66.02 63.33 2dxc s SER 35 CO 0.34 -0.58 1.48 0.50 0.98 0.00 0.00 173.24 175.96 2dxc h LYS 36 N 2.91 0.00 -5.46 4.02 3.64 -1.97 -3.46 116.57 116.25 2dxc h LYS 36 Ca -0.48 0.00 -0.51 0.00 -1.27 0.00 0.00 60.65 58.38 2dxc h LYS 36 Cb 1.23 0.00 -0.14 0.00 -0.41 0.00 0.00 32.23 32.91 2dxc h LYS 36 CO 0.64 0.61 -0.64 -0.06 -2.27 0.00 0.00 179.45 177.72 2dxc s PHE 37 N -3.08 2.06 0.16 1.91 0.08 -1.26 -5.12 117.98 112.72 2dxc s PHE 37 Ca 0.02 -0.76 0.03 0.00 0.12 0.00 0.00 56.93 56.33 2dxc s PHE 37 Cb 0.09 -1.27 -0.05 0.00 -0.57 0.00 0.00 43.02 41.23 2dxc s PHE 37 CO 0.75 0.24 -0.03 -0.80 -0.10 0.00 0.00 175.22 175.27 2dxc s ASN 38 N -3.50 1.39 0.25 1.36 -0.87 -1.26 -5.08 114.94 107.24 2dxc s ASN 38 Ca 0.32 -1.11 -0.31 0.00 -1.57 0.00 0.00 52.86 50.20 2dxc s ASN 38 Cb 0.06 0.07 -0.13 0.00 -0.02 0.00 0.00 41.25 41.23 2dxc s ASN 38 CO 0.14 -0.49 1.34 0.52 -2.57 0.00 0.00 177.10 176.04 2dxc n VAL 39 N -0.21 1.18 0.00 1.60 0.31 -1.26 -1.61 118.33 118.34 2dxc n VAL 39 Ca -0.08 -0.29 0.00 0.00 -0.01 0.00 0.00 64.34 63.95 2dxc n VAL 39 Cb 0.62 -1.40 0.00 0.00 -0.91 0.00 0.00 33.84 32.15 2dxc n VAL 39 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2dxc n GLY 40 N 1.86 3.20 3.76 2.92 0.00 0.31 -5.01 105.19 112.24 2dxc n GLY 40 Ca 0.11 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.75 2dxc n GLY 40 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2dxc s ASP 41 N -0.21 5.88 -0.21 1.61 1.01 -0.63 -4.69 116.67 119.42 2dxc s ASP 41 Ca 0.00 2.51 -0.13 0.00 0.71 0.00 0.00 52.55 55.63 2dxc s ASP 41 Cb 0.00 -2.62 -0.04 0.00 1.01 0.00 0.00 42.92 41.27 2dxc s ASP 41 CO 0.00 -1.14 0.29 -0.13 0.21 0.00 0.00 175.17 174.40 2dxc s ARG 42 N -2.71 4.15 0.06 8.23 1.81 -1.26 -1.18 118.95 128.05 2dxc s ARG 42 Ca 0.65 0.01 0.05 0.00 -1.72 0.00 0.00 55.73 54.72 2dxc s ARG 42 Cb -0.34 -3.51 -0.03 0.00 -0.45 0.00 0.00 34.95 30.62 2dxc s ARG 42 CO 0.41 0.06 -0.14 0.14 -0.68 0.00 0.00 175.30 175.09 2dxc s VAL 43 N 1.04 1.08 -0.03 3.52 -7.23 -0.23 -0.89 120.40 117.65 2dxc s VAL 43 Ca 0.14 -1.16 -0.00 0.00 -1.81 0.00 0.00 61.98 59.15 2dxc s VAL 43 Cb -0.14 -1.02 -0.04 0.00 0.56 0.00 0.00 36.38 35.75 2dxc s VAL 43 CO 0.06 -0.13 0.03 -0.60 -0.31 0.00 0.00 175.10 174.14 2dxc s ARG 44 N -1.46 2.94 -0.31 4.82 3.52 0.12 -0.65 118.95 127.92 2dxc s ARG 44 Ca -0.01 -0.50 -0.22 0.00 -0.13 0.00 0.00 55.73 54.87 2dxc s ARG 44 Cb -0.09 -2.77 -0.00 0.00 -1.56 0.00 0.00 34.95 30.52 2dxc s ARG 44 CO 0.02 0.66 0.74 0.42 -0.81 0.00 0.00 175.30 176.33 2dxc s ILE 45 N -1.05 4.84 0.27 4.11 -1.09 -0.41 -2.30 121.20 125.56 2dxc s ILE 45 Ca 0.18 1.08 -0.29 0.00 -2.23 0.00 0.00 60.65 59.39 2dxc s ILE 45 Cb -0.12 -4.10 -0.10 0.00 -1.58 0.00 0.00 42.46 36.57 2dxc s ILE 45 CO 0.08 -0.22 1.22 -0.54 -1.23 0.00 0.00 174.94 174.26 2dxc s LYS 46 N 2.85 4.48 -1.28 2.79 1.02 0.11 -0.31 119.74 129.39 2dxc s LYS 46 Ca 0.30 2.01 -0.09 0.00 0.02 0.00 0.00 55.97 58.20 2dxc s LYS 46 Cb -0.14 -3.15 0.17 0.00 -0.52 0.00 0.00 37.83 34.18 2dxc s LYS 46 CO 0.12 -0.05 1.86 -3.47 -0.92 0.00 0.00 175.35 172.89 2dxc n ASP 47 N 1.46 5.10 -4.77 2.83 2.03 -1.26 -4.76 116.55 117.18 2dxc n ASP 47 Ca 0.01 -3.11 -0.34 0.00 0.52 0.00 0.00 54.79 51.87 2dxc n ASP 47 Cb 0.43 -1.48 0.01 0.00 -0.72 0.00 0.00 41.12 39.37 2dxc n ASP 47 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2dxc s LEU 48 N -0.10 3.65 0.43 -2.67 1.43 -1.26 -4.95 118.68 115.21 2dxc s LEU 48 Ca 0.40 2.13 -0.24 0.00 -1.03 0.00 0.00 54.13 55.38 2dxc s LEU 48 Cb 0.09 -4.57 -0.10 0.00 0.03 0.00 0.00 46.19 41.64 2dxc s LEU 48 CO 0.00 -1.34 1.09 -2.65 0.23 0.00 0.00 176.35 173.69 2dxc n PRO 49 N -1.61 1.49 -0.10 1.29 -0.02 -1.26 -4.91 135.00 129.88 2dxc n PRO 49 Ca 0.11 0.54 0.08 0.00 -2.02 0.00 0.00 63.50 62.21 2dxc n PRO 49 Cb 0.51 -2.15 0.13 0.00 -0.02 0.00 0.00 33.50 31.98 2dxc n PRO 49 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 2dxc n ASP 50 N 0.34 2.47 -4.66 2.55 5.75 -1.26 -5.02 116.55 116.73 2dxc n ASP 50 Ca 0.09 -2.92 -0.46 0.00 -0.01 0.00 0.00 54.79 51.49 2dxc n ASP 50 Cb 0.40 -0.38 -0.04 0.00 -1.03 0.00 0.00 41.12 40.07 2dxc n ASP 50 CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 2dxc n LEU 51 N -1.18 2.84 0.00 -2.12 7.94 -1.26 -3.06 117.00 120.16 2dxc n LEU 51 Ca 0.14 1.12 0.00 0.00 -1.11 0.00 0.00 56.01 56.16 2dxc n LEU 51 Cb 0.61 -1.39 0.00 0.00 0.53 0.00 0.00 43.42 43.17 2dxc n LEU 51 CO 0.02 -0.52 0.00 0.49 -1.11 0.00 0.00 177.39 176.27 2dxc n PHE 52 N 2.52 0.00 -3.59 1.96 3.72 -1.26 -4.84 117.46 115.98 2dxc n PHE 52 Ca 0.15 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.44 2dxc n PHE 52 Cb 0.29 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.77 2dxc n PHE 52 CO 0.00 0.00 0.00 -0.47 -0.05 0.00 0.00 176.76 176.24 2dxc s TYR 53 N 0.00 -0.39 -0.20 1.38 5.04 -1.17 -5.17 117.35 116.84 2dxc s TYR 53 Ca 0.00 0.75 -0.30 0.00 -2.44 0.00 0.00 57.07 55.08 2dxc s TYR 53 Cb 0.00 0.43 0.15 0.00 0.35 0.00 0.00 41.96 42.89 2dxc s TYR 53 CO 0.00 -0.31 1.11 -0.08 -1.34 0.00 0.00 175.55 174.93 2dxc s THR 54 N -0.78 0.00 -0.10 4.34 -1.32 -1.26 -4.82 115.64 111.70 2dxc s THR 54 Ca -0.01 0.00 0.15 0.00 -1.21 0.00 0.00 61.69 60.62 2dxc s THR 54 Cb -0.02 -1.00 0.22 0.00 -1.51 0.00 0.00 72.50 70.20 2dxc s THR 54 CO -0.00 0.00 1.11 0.54 -2.21 0.00 0.00 174.62 174.05 2dxc n ARG 55 N 0.62 1.27 -3.58 7.08 1.74 -1.26 -4.88 116.66 117.65 2dxc n ARG 55 Ca -0.07 -2.25 -0.40 0.00 -0.77 0.00 0.00 57.85 54.36 2dxc n ARG 55 Cb 0.58 -1.32 -0.08 0.00 -1.02 0.00 0.00 32.46 30.63 2dxc n ARG 55 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 2dxc s THR 56 N -2.31 4.22 0.31 0.55 2.01 -1.26 -4.99 115.64 114.17 2dxc s THR 56 Ca 0.25 -2.20 -0.26 0.00 0.31 0.00 0.00 61.69 59.79 2dxc s THR 56 Cb 0.22 -3.75 -0.15 0.00 0.01 0.00 0.00 72.50 68.83 2dxc s THR 56 CO 0.02 -0.83 0.59 0.23 -0.69 0.00 0.00 174.62 173.94 2dxc n MET 57 N 4.39 0.49 -0.29 4.92 2.81 -1.26 -4.88 117.12 123.30 2dxc n MET 57 Ca -0.00 0.17 0.01 0.00 -1.81 0.00 0.00 57.70 56.07 2dxc n MET 57 Cb 0.41 -1.34 0.20 0.00 -0.71 0.00 0.00 33.22 31.78 2dxc n MET 57 CO 0.00 0.00 0.00 1.15 1.51 0.00 0.00 175.97 178.63 2dxc h THR 58 N 1.10 1.18 0.00 2.03 2.02 -1.99 -2.33 112.91 114.92 2dxc h THR 58 Ca -0.35 -0.39 0.00 0.00 0.77 0.00 0.00 66.41 66.44 2dxc h THR 58 Cb 1.41 -0.05 0.00 0.00 -1.74 0.00 0.00 68.15 67.77 2dxc h THR 58 CO 0.55 0.21 0.02 0.00 0.37 0.00 0.00 175.52 176.66 2dxc n TYR 59 N -4.43 0.46 0.46 3.16 0.18 -1.26 -1.54 117.16 114.19 2dxc n TYR 59 Ca 0.11 0.24 0.11 0.00 1.88 0.00 0.00 57.90 60.24 2dxc n TYR 59 Cb 0.07 -0.88 -0.09 0.00 -0.38 0.00 0.00 39.34 38.06 2dxc n TYR 59 CO 0.00 0.00 0.00 0.25 -2.08 0.00 0.00 176.86 175.03 2dxc n THR 60 N -1.98 0.08 -1.68 -3.48 -2.24 -0.88 -4.90 114.28 99.21 2dxc n THR 60 Ca -0.01 -0.28 -0.47 0.00 -2.27 0.00 0.00 64.05 61.02 2dxc n THR 60 Cb 0.04 0.33 -0.04 0.00 -2.10 0.00 0.00 70.33 68.55 2dxc n THR 60 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2dxc n ARG 61 N -1.97 2.22 -0.37 -0.78 5.12 -0.59 -1.47 116.66 118.83 2dxc n ARG 61 Ca 0.00 0.81 0.00 0.00 -1.93 0.00 0.00 57.85 56.73 2dxc n ARG 61 Cb 0.46 -2.63 0.00 0.00 -1.16 0.00 0.00 32.46 29.13 2dxc n ARG 61 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2dxc n GLY 62 N 3.95 1.87 3.87 -0.13 0.00 0.57 -4.99 105.19 110.34 2dxc n GLY 62 Ca 0.20 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.91 2dxc n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dxc s ALA 63 N -3.22 3.36 -0.10 4.61 0.00 -0.54 -4.69 121.76 121.17 2dxc s ALA 63 Ca 0.00 -0.20 -0.02 0.00 0.00 0.00 0.00 51.96 51.74 2dxc s ALA 63 Cb 0.00 -2.69 -0.03 0.00 0.00 0.00 0.00 23.12 20.40 2dxc s ALA 63 CO 0.00 0.03 -0.02 0.99 0.00 0.00 0.00 175.76 176.75 2dxc s THR 64 N -2.33 4.07 0.30 0.00 2.01 -1.26 -1.29 115.64 117.13 2dxc s THR 64 Ca 0.51 -0.33 0.06 0.00 0.31 0.00 0.00 61.69 62.24 2dxc s THR 64 Cb -0.10 -2.72 -0.02 0.00 0.01 0.00 0.00 72.50 69.66 2dxc s THR 64 CO 0.30 0.57 0.27 0.61 -0.69 0.00 0.00 174.62 175.69 2dxc n GLY 65 N 2.57 2.94 3.36 4.40 0.00 0.17 -4.64 105.19 113.99 2dxc n GLY 65 Ca -0.18 -1.84 -0.33 0.00 0.00 0.00 0.00 46.02 43.68 2dxc n GLY 65 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2dxc s THR 66 N -3.16 2.91 -0.01 2.61 2.01 -0.32 -1.06 115.64 118.61 2dxc s THR 66 Ca 0.35 -0.72 -0.30 0.00 0.31 0.00 0.00 61.69 61.32 2dxc s THR 66 Cb 0.01 -2.19 -0.05 0.00 0.01 0.00 0.00 72.50 70.28 2dxc s THR 66 CO 0.24 0.54 1.30 -0.63 -0.69 0.00 0.00 174.62 175.38 2dxc s ILE 67 N 0.20 3.96 -0.47 1.82 -1.09 -0.32 -1.03 121.20 124.26 2dxc s ILE 67 Ca -0.09 1.33 0.08 0.00 -2.23 0.00 0.00 60.65 59.73 2dxc s ILE 67 Cb -0.15 -3.85 -0.06 0.00 -1.58 0.00 0.00 42.46 36.82 2dxc s ILE 67 CO 0.05 0.01 0.39 1.33 -1.23 0.00 0.00 174.94 175.50 2dxc n VAL 68 N 4.55 0.00 -3.63 2.92 0.24 -0.17 -0.53 118.33 121.72 2dxc n VAL 68 Ca 0.12 -0.35 -0.06 0.00 -2.04 0.00 0.00 64.34 62.01 2dxc n VAL 68 Cb 0.45 1.03 -0.06 0.00 -1.47 0.00 0.00 33.84 33.79 2dxc n VAL 68 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 2dxc s ARG 69 N -1.54 0.26 -0.54 7.34 3.52 -1.22 -4.91 118.95 121.86 2dxc s ARG 69 Ca 0.04 0.22 -0.17 0.00 -0.13 0.00 0.00 55.73 55.69 2dxc s ARG 69 Cb 0.06 0.13 0.10 0.00 -1.56 0.00 0.00 34.95 33.68 2dxc s ARG 69 CO 0.27 -0.05 0.57 -0.51 -0.81 0.00 0.00 175.30 174.77 2dxc s LEU 70 N -0.25 5.67 0.09 -0.88 1.02 -1.26 -0.75 118.68 122.32 2dxc s LEU 70 Ca 0.05 -1.49 -0.15 0.00 0.02 0.00 0.00 54.13 52.57 2dxc s LEU 70 Cb -0.04 -2.27 -0.13 0.00 0.02 0.00 0.00 46.19 43.78 2dxc s LEU 70 CO -0.09 -0.92 1.34 -0.37 0.02 0.00 0.00 176.35 176.33 2dxc h VAL 71 N 5.88 1.31 0.00 -1.59 -1.51 -1.78 -3.49 116.25 115.07 2dxc h VAL 71 Ca -0.29 -1.73 0.00 0.00 -1.23 0.00 0.00 66.70 63.44 2dxc h VAL 71 Cb 1.10 1.85 0.00 0.00 -2.13 0.00 0.00 31.29 32.11 2dxc h VAL 71 CO 1.03 0.55 0.00 0.00 -1.23 0.00 0.00 177.57 177.91 2dxc n TYR 72 N -4.13 0.00 -4.90 5.19 0.18 -1.25 -5.05 117.16 107.21 2dxc n TYR 72 Ca -0.06 0.00 -0.32 0.00 1.88 0.00 0.00 57.90 59.41 2dxc n TYR 72 Cb 0.60 0.00 -0.14 0.00 -0.38 0.00 0.00 39.34 39.43 2dxc n TYR 72 CO 0.00 0.00 0.00 -1.21 -2.08 0.00 0.00 176.86 173.57 2dxc s GLU 73 N -1.94 2.24 -0.10 -3.48 2.02 -1.26 -1.07 118.70 115.10 2dxc s GLU 73 Ca 0.00 -0.86 -0.32 0.00 0.02 0.00 0.00 54.97 53.81 2dxc s GLU 73 Cb 0.00 -2.22 0.12 0.00 0.10 0.00 0.00 34.13 32.13 2dxc s GLU 73 CO 0.00 0.58 1.05 0.45 0.02 0.00 0.00 175.26 177.35 2dxc s SER 74 N -0.98 -0.25 0.56 -0.19 0.15 -0.64 -4.55 113.70 107.81 2dxc s SER 74 Ca 0.12 0.00 -0.19 0.00 0.70 0.00 0.00 55.95 56.58 2dxc s SER 74 Cb -0.10 0.27 -0.05 0.00 -1.71 0.00 0.00 66.02 64.42 2dxc s SER 74 CO 0.02 -0.43 1.17 -2.84 1.20 0.00 0.00 173.24 172.36 2dxc s PRO 75 N -2.76 3.18 0.49 5.44 0.02 -1.26 -1.55 135.00 138.56 2dxc s PRO 75 Ca 0.07 1.72 -0.23 0.00 0.02 0.00 0.00 61.00 62.59 2dxc s PRO 75 Cb -0.01 -1.98 -0.06 0.00 0.02 0.00 0.00 34.50 32.47 2dxc s PRO 75 CO -0.07 -1.01 1.24 0.00 -0.33 0.00 0.00 177.00 176.83 2dxc s ALA 76 N -1.67 2.92 0.43 -1.55 0.00 -1.26 -4.77 121.76 115.86 2dxc s ALA 76 Ca 0.75 1.09 0.10 0.00 0.00 0.00 0.00 51.96 53.89 2dxc s ALA 76 Cb -0.27 -3.45 0.95 0.00 0.00 0.00 0.00 23.12 20.35 2dxc s ALA 76 CO 0.30 -0.92 2.04 0.00 0.00 0.00 0.00 175.76 177.18 2dxc h ALA 77 N 1.85 1.84 -0.12 0.00 0.00 -1.98 0.97 119.26 121.82 2dxc h ALA 77 Ca -0.50 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.43 2dxc h ALA 77 Cb 1.27 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.93 2dxc h ALA 77 CO 0.59 0.10 0.13 0.93 0.00 0.00 0.00 179.25 181.01 2dxc h GLU 78 N 0.46 0.00 0.00 0.00 3.07 -1.90 0.04 114.58 116.26 2dxc h GLU 78 Ca 0.18 0.00 -0.41 0.00 -0.50 0.00 0.00 59.36 58.63 2dxc h GLU 78 Cb 0.15 0.00 -0.07 0.00 -0.84 0.00 0.00 28.75 27.99 2dxc h GLU 78 CO -0.04 0.00 -2.48 -0.25 -1.40 0.00 0.00 179.01 174.83 2dxc n ASP 79 N -3.83 1.98 -0.37 1.42 8.00 0.13 -4.48 116.55 119.39 2dxc n ASP 79 Ca -0.00 0.03 -0.00 0.00 0.71 0.00 0.00 54.79 55.53 2dxc n ASP 79 Cb 0.24 -0.56 0.13 0.00 -0.02 0.00 0.00 41.12 40.91 2dxc n ASP 79 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 2dxc h GLU 80 N -0.34 1.25 0.00 -1.24 4.81 -0.76 -0.08 114.58 118.23 2dxc h GLU 80 Ca -0.62 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 58.54 2dxc h GLU 80 Cb 1.80 -0.28 0.00 0.00 0.63 0.00 0.00 28.75 30.90 2dxc h GLU 80 CO -0.20 0.83 0.00 0.00 -0.73 0.00 0.00 179.01 178.91 2dxc n ALA 81 N -2.37 1.34 -0.70 2.92 0.00 -0.02 -1.75 120.51 119.93 2dxc n ALA 81 Ca 0.13 0.01 0.07 0.00 0.00 0.00 0.00 53.44 53.64 2dxc n ALA 81 Cb 0.07 -1.16 0.10 0.00 0.00 0.00 0.00 19.45 18.46 2dxc n ALA 81 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2dxc n PHE 82 N -1.64 0.02 -1.00 0.00 3.72 -0.70 -4.98 117.46 112.88 2dxc n PHE 82 Ca 0.02 -0.83 -0.00 0.00 -0.05 0.00 0.00 57.45 56.59 2dxc n PHE 82 Cb 0.10 -0.12 -0.00 0.00 -0.94 0.00 0.00 39.48 38.52 2dxc n PHE 82 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2dxc n GLY 83 N -1.09 0.42 3.19 1.37 0.00 -0.72 -5.02 105.19 103.34 2dxc n GLY 83 Ca 0.11 -0.77 -0.39 0.00 0.00 0.00 0.00 46.02 44.97 2dxc n GLY 83 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2dxc s ASN 84 N -2.70 5.49 -0.07 1.61 0.02 -0.12 -4.91 114.94 114.24 2dxc s ASN 84 Ca 0.00 -1.82 0.11 0.00 -1.02 0.00 0.00 52.86 50.13 2dxc s ASN 84 Cb 0.00 -1.92 0.25 0.00 0.02 0.00 0.00 41.25 39.60 2dxc s ASN 84 CO 0.00 -0.58 1.18 -0.62 0.02 0.00 0.00 177.10 177.10 2dxc n GLU 85 N 4.78 2.47 0.20 -0.60 1.02 -1.26 -3.08 120.64 124.18 2dxc n GLU 85 Ca -0.07 -2.19 0.06 0.00 -0.02 0.00 0.00 57.16 54.94 2dxc n GLU 85 Cb 0.42 -1.37 0.44 0.00 -0.02 0.00 0.00 31.44 30.91 2dxc n GLU 85 CO 0.00 0.00 0.00 1.05 1.18 0.00 0.00 177.13 179.36 2dxc h GLU 86 N 0.78 0.00 -5.43 3.49 9.09 -1.97 -3.43 114.58 117.11 2dxc h GLU 86 Ca 0.00 0.00 -0.64 0.00 0.05 0.00 0.00 59.36 58.77 2dxc h GLU 86 Cb 0.88 0.00 -0.18 0.00 -1.65 0.00 0.00 28.75 27.80 2dxc h GLU 86 CO 0.04 0.31 -0.62 -0.80 0.05 0.00 0.00 179.01 178.00 2dxc s ASN 87 N -6.63 5.20 -0.02 3.06 0.02 -1.26 -5.10 114.94 110.20 2dxc s ASN 87 Ca -0.02 0.01 0.07 0.00 -1.02 0.00 0.00 52.86 51.89 2dxc s ASN 87 Cb 0.13 -1.79 -0.02 0.00 0.02 0.00 0.00 41.25 39.60 2dxc s ASN 87 CO 0.68 0.22 -0.22 -0.69 0.02 0.00 0.00 177.10 177.10 2dxc s VAL 88 N 0.09 1.78 0.17 1.60 1.01 -1.26 -4.15 120.40 119.64 2dxc s VAL 88 Ca 0.02 -0.96 -0.00 0.00 0.00 0.00 0.00 61.98 61.04 2dxc s VAL 88 Cb -0.13 -1.49 -0.04 0.00 0.00 0.00 0.00 36.38 34.72 2dxc s VAL 88 CO 0.02 0.50 0.06 -1.83 0.00 0.00 0.00 175.10 173.86 2dxc s GLU 89 N -0.47 1.07 0.25 2.72 -1.05 -0.59 -4.16 118.70 116.48 2dxc s GLU 89 Ca 0.07 -1.53 -0.30 0.00 -0.15 0.00 0.00 54.97 53.06 2dxc s GLU 89 Cb -0.09 0.09 -0.09 0.00 -0.44 0.00 0.00 34.13 33.59 2dxc s GLU 89 CO -0.00 -0.26 1.05 -1.58 0.95 0.00 0.00 175.26 175.41 2dxc s TRP 90 N -3.96 3.71 -0.09 4.83 0.52 -1.26 -1.61 118.94 121.08 2dxc s TRP 90 Ca 0.29 1.76 -0.01 0.00 0.02 0.00 0.00 56.10 58.15 2dxc s TRP 90 Cb 0.07 -3.19 -0.03 0.00 -1.15 0.00 0.00 33.47 29.18 2dxc s TRP 90 CO 0.06 -0.23 -0.03 -0.06 0.02 0.00 0.00 176.95 176.71 2dxc s PHE 91 N -1.05 3.05 0.04 -1.98 0.40 -0.23 -0.81 117.98 117.40 2dxc s PHE 91 Ca 0.44 0.04 0.08 0.00 -0.60 0.00 0.00 56.93 56.89 2dxc s PHE 91 Cb -0.30 -1.79 -0.03 0.00 0.51 0.00 0.00 43.02 41.41 2dxc s PHE 91 CO 0.37 0.33 -0.24 0.71 0.70 0.00 0.00 175.22 177.09 2dxc s TYR 92 N -0.62 2.07 -0.23 0.36 2.02 -0.85 -2.10 117.35 118.01 2dxc s TYR 92 Ca 0.10 -0.39 -0.14 0.00 -0.37 0.00 0.00 57.07 56.26 2dxc s TYR 92 Cb -0.12 -1.24 -0.04 0.00 -0.40 0.00 0.00 41.96 40.16 2dxc s TYR 92 CO 0.02 0.11 0.34 0.45 -1.57 0.00 0.00 175.55 174.89 2dxc s SER 93 N -1.19 6.31 -0.06 2.29 0.15 0.07 -1.42 113.70 119.86 2dxc s SER 93 Ca 0.10 0.36 0.05 0.00 0.70 0.00 0.00 55.95 57.15 2dxc s SER 93 Cb -0.09 -2.20 -0.02 0.00 -1.71 0.00 0.00 66.02 62.00 2dxc s SER 93 CO 0.02 -0.08 -0.21 -0.63 1.20 0.00 0.00 173.24 173.54 2dxc s ILE 94 N 1.49 2.46 -0.20 6.45 1.09 0.44 -1.00 121.20 131.93 2dxc s ILE 94 Ca 0.15 -0.93 -0.06 0.00 -1.10 0.00 0.00 60.65 58.71 2dxc s ILE 94 Cb -0.15 -1.93 -0.03 0.00 -1.06 0.00 0.00 42.46 39.30 2dxc s ILE 94 CO 0.08 0.57 0.02 -0.69 -0.10 0.00 0.00 174.94 174.83 2dxc s VAL 95 N -0.34 4.21 -0.01 2.92 1.01 -0.20 -1.73 120.40 126.26 2dxc s VAL 95 Ca 0.02 -0.23 0.03 0.00 0.00 0.00 0.00 61.98 61.81 2dxc s VAL 95 Cb -0.12 -2.91 -0.03 0.00 0.00 0.00 0.00 36.38 33.31 2dxc s VAL 95 CO 0.02 0.43 -0.08 -0.36 0.00 0.00 0.00 175.10 175.10 2dxc s PHE 96 N 0.89 2.85 0.03 5.22 0.08 0.65 -1.18 117.98 126.52 2dxc s PHE 96 Ca 0.02 -0.06 -0.30 0.00 0.12 0.00 0.00 56.93 56.71 2dxc s PHE 96 Cb -0.14 -1.62 -0.04 0.00 -0.57 0.00 0.00 43.02 40.66 2dxc s PHE 96 CO 0.02 0.34 0.98 0.00 -0.10 0.00 0.00 175.22 176.46 2dxc s ALA 97 N -0.93 3.18 0.39 5.36 0.00 -1.26 -1.08 121.76 127.42 2dxc s ALA 97 Ca 0.16 0.55 0.13 0.00 0.00 0.00 0.00 51.96 52.80 2dxc s ALA 97 Cb -0.11 -3.32 0.95 0.00 0.00 0.00 0.00 23.12 20.64 2dxc s ALA 97 CO 0.06 -0.17 1.89 1.96 0.00 0.00 0.00 175.76 179.49 2dxc h GLN 98 N 6.46 0.52 0.00 0.00 1.08 -1.65 0.72 115.11 122.24 2dxc h GLN 98 Ca -0.42 -0.03 -0.00 0.00 -1.45 0.00 0.00 58.65 56.75 2dxc h GLN 98 Cb 1.22 -0.12 -0.00 0.00 -0.05 0.00 0.00 27.48 28.53 2dxc h GLN 98 CO 0.74 0.34 -0.02 1.57 -0.95 0.00 0.00 178.83 180.52 2dxc h LYS 99 N 0.54 0.00 -0.00 1.46 2.10 -1.82 -1.20 116.57 117.65 2dxc h LYS 99 Ca 0.42 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.07 2dxc h LYS 99 Cb 0.85 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.18 2dxc h LYS 99 CO -0.17 0.02 -0.20 -0.25 -2.00 0.00 0.00 179.45 176.84 2dxc n ASP 100 N -3.93 0.37 -0.11 7.07 8.00 0.24 -4.09 116.55 124.11 2dxc n ASP 100 Ca -0.03 -0.18 -0.20 0.00 0.71 0.00 0.00 54.79 55.10 2dxc n ASP 100 Cb 0.10 -0.09 -0.09 0.00 -0.02 0.00 0.00 41.12 41.02 2dxc n ASP 100 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2dxc n LEU 101 N -1.26 2.33 -4.22 0.64 4.77 -0.54 -4.86 117.00 113.85 2dxc n LEU 101 Ca 0.09 0.07 -0.36 0.00 -0.03 0.00 0.00 56.01 55.79 2dxc n LEU 101 Cb 0.32 -0.71 -0.13 0.00 -2.33 0.00 0.00 43.42 40.56 2dxc n LEU 101 CO 0.28 0.68 -0.34 0.26 -1.33 0.00 0.00 177.39 176.94 2dxc s TRP 102 N -2.42 3.20 0.41 -1.77 0.52 -0.67 -5.00 118.94 113.21 2dxc s TRP 102 Ca -0.30 -1.58 0.17 0.00 0.02 0.00 0.00 56.10 54.40 2dxc s TRP 102 Cb 0.10 -2.15 1.06 0.00 -1.15 0.00 0.00 33.47 31.33 2dxc s TRP 102 CO 0.45 -0.74 1.84 -1.35 0.02 0.00 0.00 176.95 177.17 2dxc h PRO 103 N 8.08 0.42 -0.01 4.98 0.11 -1.87 -1.61 132.00 142.10 2dxc h PRO 103 Ca -0.26 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.83 2dxc h PRO 103 Cb 1.09 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.10 2dxc h PRO 103 CO 0.57 0.28 -0.08 -0.85 -0.21 0.00 0.00 178.00 177.70 2dxc n GLU 104 N -4.54 0.91 -1.69 1.05 0.00 -1.26 -4.93 120.64 110.19 2dxc n GLU 104 Ca 0.20 -0.34 -0.44 0.00 0.00 0.00 0.00 57.16 56.58 2dxc n GLU 104 Cb 0.71 -1.49 -0.03 0.00 0.00 0.00 0.00 31.44 30.63 2dxc n GLU 104 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.13 178.11 2dxc n TYR 105 N -0.75 2.38 -2.46 -1.84 9.36 -0.61 -4.91 117.16 118.33 2dxc n TYR 105 Ca 0.17 0.30 -0.40 0.00 3.32 0.00 0.00 57.90 61.28 2dxc n TYR 105 Cb 0.27 -2.54 -0.04 0.00 -0.63 0.00 0.00 39.34 36.40 2dxc n TYR 105 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 2dxc s SER 106 N 0.65 7.24 0.14 2.98 0.15 -1.26 -4.92 113.70 118.68 2dxc s SER 106 Ca 0.72 2.25 0.18 0.00 0.70 0.00 0.00 55.95 59.80 2dxc s SER 106 Cb -0.62 -2.62 0.77 0.00 -1.71 0.00 0.00 66.02 61.84 2dxc s SER 106 CO 0.43 -0.19 1.54 0.47 1.20 0.00 0.00 173.24 176.70 2dxc n ASP 107 N 1.50 0.34 0.02 5.45 8.00 -1.26 -1.95 116.55 128.67 2dxc n ASP 107 Ca 0.00 0.60 -0.01 0.00 0.71 0.00 0.00 54.79 56.09 2dxc n ASP 107 Cb 0.45 -0.67 0.26 0.00 -0.02 0.00 0.00 41.12 41.15 2dxc n ASP 107 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 2dxc h THR 108 N 0.00 1.23 -1.91 -3.53 2.02 -2.01 -2.60 112.91 106.10 2dxc h THR 108 Ca 0.00 -1.02 -0.71 0.00 0.77 0.00 0.00 66.41 65.45 2dxc h THR 108 Cb 0.25 1.18 -0.32 0.00 -1.74 0.00 0.00 68.15 67.51 2dxc h THR 108 CO 0.00 0.33 0.43 0.49 0.37 0.00 0.00 175.52 177.14 2dxc n PHE 109 N -4.20 3.16 0.33 3.16 3.72 -0.82 -4.82 117.46 117.98 2dxc n PHE 109 Ca 0.00 -2.70 0.20 0.00 -0.05 0.00 0.00 57.45 54.91 2dxc n PHE 109 Cb 0.33 -0.82 1.10 0.00 -0.94 0.00 0.00 39.48 39.14 2dxc n PHE 109 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2dxc h ALA 110 N 3.03 1.08 -0.02 4.37 0.00 -1.57 -2.74 119.26 123.40 2dxc h ALA 110 Ca 0.46 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.37 2dxc h ALA 110 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.14 2dxc h ALA 110 CO 1.19 -0.08 -0.14 0.09 0.00 0.00 0.00 179.25 180.32 2dxc n ASN 111 N -2.98 2.47 -4.76 0.00 3.02 -1.26 -4.95 115.26 106.78 2dxc n ASN 111 Ca -0.03 -1.76 -0.38 0.00 -0.03 0.00 0.00 54.58 52.38 2dxc n ASN 111 Cb 0.14 0.13 0.00 0.00 -0.61 0.00 0.00 39.78 39.45 2dxc n ASN 111 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 2dxc s ASP 112 N -2.15 6.05 0.25 6.41 1.01 -1.04 -4.96 116.67 122.25 2dxc s ASP 112 Ca 0.27 2.54 0.01 0.00 0.71 0.00 0.00 52.55 56.07 2dxc s ASP 112 Cb 0.20 -2.62 -0.03 0.00 1.01 0.00 0.00 42.92 41.47 2dxc s ASP 112 CO 0.39 -1.02 0.22 0.42 0.21 0.00 0.00 175.17 175.39 2dxc s THR 113 N -1.38 0.00 -0.03 -1.27 -4.23 -1.26 -1.73 115.64 105.74 2dxc s THR 113 Ca 0.62 -1.94 0.00 0.00 -1.18 0.00 0.00 61.69 59.20 2dxc s THR 113 Cb -0.35 -2.49 0.03 0.00 1.34 0.00 0.00 72.50 71.03 2dxc s THR 113 CO 0.43 0.00 0.01 -0.22 -0.54 0.00 0.00 174.62 174.30 2dxc s LEU 114 N -3.23 1.17 -0.08 4.79 0.20 -0.24 -4.81 118.68 116.48 2dxc s LEU 114 Ca 0.38 -0.01 0.04 0.00 0.69 0.00 0.00 54.13 55.23 2dxc s LEU 114 Cb 0.05 -0.18 -0.01 0.00 -0.43 0.00 0.00 46.19 45.61 2dxc s LEU 114 CO 0.18 -0.10 -0.20 -0.70 -0.29 0.00 0.00 176.35 175.23 2dxc s GLU 115 N 1.00 2.80 0.21 1.98 2.12 -1.26 -0.26 118.70 125.29 2dxc s GLU 115 Ca -0.10 -0.81 -0.17 0.00 0.36 0.00 0.00 54.97 54.25 2dxc s GLU 115 Cb -0.13 -2.33 0.02 0.00 0.26 0.00 0.00 34.13 31.95 2dxc s GLU 115 CO -0.02 0.36 0.53 -0.08 -0.54 0.00 0.00 175.26 175.51 2dxc s THR 116 N -0.08 0.02 -0.10 -1.70 -1.32 -0.70 -4.97 115.64 106.79 2dxc s THR 116 Ca -0.05 -0.90 -0.03 0.00 -1.21 0.00 0.00 61.69 59.50 2dxc s THR 116 Cb -0.14 -1.71 -0.04 0.00 -1.51 0.00 0.00 72.50 69.10 2dxc s THR 116 CO 0.04 -0.09 0.04 -1.61 -2.21 0.00 0.00 174.62 170.79 2dxc s GLU 117 N -3.90 3.15 -0.01 7.08 2.02 -1.26 -0.42 118.70 125.36 2dxc s GLU 117 Ca 0.11 -0.33 0.00 0.00 0.02 0.00 0.00 54.97 54.78 2dxc s GLU 117 Cb -0.01 -2.92 0.02 0.00 0.10 0.00 0.00 34.13 31.31 2dxc s GLU 117 CO -0.00 0.70 0.01 0.42 0.02 0.00 0.00 175.26 176.41 2dxc s ILE 118 N -0.87 0.05 0.62 -1.63 -1.09 -0.50 -4.92 121.20 112.86 2dxc s ILE 118 Ca 0.13 0.08 -0.16 0.00 -2.23 0.00 0.00 60.65 58.47 2dxc s ILE 118 Cb -0.12 -0.12 -0.02 0.00 -1.58 0.00 0.00 42.46 40.63 2dxc s ILE 118 CO 0.03 0.07 1.11 -2.16 -1.23 0.00 0.00 174.94 172.76 2dxc s PRO 119 N 0.60 2.99 0.46 2.79 0.04 -1.26 -2.00 135.00 138.62 2dxc s PRO 119 Ca -0.05 1.42 0.27 0.00 0.04 0.00 0.00 61.00 62.68 2dxc s PRO 119 Cb -0.08 -1.97 1.31 0.00 0.04 0.00 0.00 34.50 33.80 2dxc s PRO 119 CO -0.01 -1.10 1.78 1.49 0.04 0.00 0.00 177.00 179.19 2dxc h GLU 120 N 0.36 0.20 -0.12 4.56 4.81 -1.32 -2.23 114.58 120.84 2dxc h GLU 120 Ca -0.48 -0.01 0.03 0.00 -0.13 0.00 0.00 59.36 58.78 2dxc h GLU 120 Cb 1.25 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 30.58 2dxc h GLU 120 CO 0.55 0.13 0.16 0.07 -0.73 0.00 0.00 179.01 179.19 2dxc h ARG 121 N 0.21 0.00 -0.00 1.92 0.11 -1.91 -1.65 114.38 113.05 2dxc h ARG 121 Ca 0.59 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.67 2dxc h ARG 121 Cb 1.88 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.96 2dxc h ARG 121 CO -0.18 0.00 -0.39 0.66 0.10 0.00 0.00 179.97 180.16 2dxc n TYR 122 N -3.66 0.00 -3.87 4.08 4.01 -0.84 -4.92 117.16 111.96 2dxc n TYR 122 Ca 0.00 0.00 -0.35 0.00 -0.16 0.00 0.00 57.90 57.39 2dxc n TYR 122 Cb 0.26 -0.16 -0.05 0.00 -0.31 0.00 0.00 39.34 39.08 2dxc n TYR 122 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 2dxc s LEU 123 N -2.71 4.38 -0.03 7.72 1.43 -0.62 0.05 118.68 128.90 2dxc s LEU 123 Ca 0.18 0.42 -0.04 0.00 -1.03 0.00 0.00 54.13 53.67 2dxc s LEU 123 Cb 0.18 -2.45 0.01 0.00 0.03 0.00 0.00 46.19 43.96 2dxc s LEU 123 CO 0.60 0.31 0.10 -1.83 0.23 0.00 0.00 176.35 175.76 2dxc s GLU 124 N -1.62 0.17 0.25 1.70 -1.05 -0.97 -4.93 118.70 112.24 2dxc s GLU 124 Ca 0.23 0.04 -0.30 0.00 -0.15 0.00 0.00 54.97 54.79 2dxc s GLU 124 Cb -0.13 0.08 -0.14 0.00 -0.44 0.00 0.00 34.13 33.50 2dxc s GLU 124 CO 0.14 -0.03 1.23 1.17 0.95 0.00 0.00 175.26 178.72 2dxc n LYS 125 N 2.77 1.67 0.00 -4.83 4.81 -1.26 -0.70 118.16 120.62 2dxc n LYS 125 Ca -0.14 0.59 0.12 0.00 -0.87 0.00 0.00 58.31 58.01 2dxc n LYS 125 Cb 0.59 -2.13 0.73 0.00 0.02 0.00 0.00 35.03 34.24 2dxc n LYS 125 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57