#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dxc s VAL 9 N 0.00 3.56 -0.19 -1.45 -7.23 -1.26 -5.11 120.40 108.72 2dxc s VAL 9 Ca 0.00 -0.52 -0.07 0.00 -1.81 0.00 0.00 61.98 59.58 2dxc s VAL 9 Cb 0.00 -2.47 -0.04 0.00 0.56 0.00 0.00 36.38 34.43 2dxc s VAL 9 CO 0.00 0.57 0.06 0.26 -0.31 0.00 0.00 175.10 175.68 2dxc s TRP 10 N -0.43 3.23 -0.44 2.82 0.52 -1.26 -5.05 118.94 118.34 2dxc s TRP 10 Ca 0.06 0.04 -0.29 0.00 0.02 0.00 0.00 56.10 55.93 2dxc s TRP 10 Cb -0.12 -2.09 0.01 0.00 -1.15 0.00 0.00 33.47 30.12 2dxc s TRP 10 CO 0.02 0.12 1.43 0.34 0.02 0.00 0.00 176.95 178.88 2dxc s ASP 11 N 0.46 6.26 0.00 2.95 -1.08 -1.26 -4.86 116.67 119.13 2dxc s ASP 11 Ca 0.03 0.73 0.23 0.00 -0.52 0.00 0.00 52.55 53.02 2dxc s ASP 11 Cb -0.13 -2.54 0.62 0.00 -1.46 0.00 0.00 42.92 39.41 2dxc s ASP 11 CO 0.01 -1.51 1.52 0.54 0.52 0.00 0.00 175.17 176.24 2dxc n ARG 12 N 8.22 2.67 -0.00 4.34 1.74 -1.26 -4.26 116.66 128.11 2dxc n ARG 12 Ca 0.16 -2.59 0.02 0.00 -0.77 0.00 0.00 57.85 54.67 2dxc n ARG 12 Cb 0.48 -1.56 -0.02 0.00 -1.02 0.00 0.00 32.46 30.34 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 1.62 0.00 0.08 0.55 -2.24 -1.26 -4.81 114.28 108.23 2dxc n THR 13 Ca 0.24 -0.33 -0.13 0.00 -2.27 0.00 0.00 64.05 61.56 2dxc n THR 13 Cb 0.62 0.84 -0.07 0.00 -2.10 0.00 0.00 70.33 69.62 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 -1.12 -0.21 4.78 6.17 -1.99 -1.27 115.15 121.51 2dxc h HIS 14 Ca 0.00 0.03 0.01 0.00 0.71 0.00 0.00 60.37 61.13 2dxc h HIS 14 Cb 0.10 0.49 -0.02 0.00 2.52 0.00 0.00 27.41 30.50 2dxc h HIS 14 CO 0.00 -0.49 0.10 1.25 0.71 0.00 0.00 177.93 179.50 2dxc h HIS 15 N -0.58 0.18 0.14 5.26 6.17 -1.88 -2.06 115.15 122.38 2dxc h HIS 15 Ca 0.04 0.01 -0.01 0.00 0.71 0.00 0.00 60.37 61.12 2dxc h HIS 15 Cb 0.65 -0.05 0.00 0.00 2.52 0.00 0.00 27.41 30.53 2dxc h HIS 15 CO -0.39 0.10 -0.07 0.00 0.71 0.00 0.00 177.93 178.28 2dxc h ALA 16 N 1.11 -0.19 -0.58 5.26 0.00 -1.85 0.67 119.26 123.68 2dxc h ALA 16 Ca 0.08 -0.04 0.08 0.00 0.00 0.00 0.00 54.91 55.03 2dxc h ALA 16 Cb 0.03 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 2dxc h ALA 16 CO -0.06 -0.61 0.39 0.87 0.00 0.00 0.00 179.25 179.84 2dxc h LYS 17 N -0.19 0.45 0.23 0.00 1.57 -1.16 0.09 116.57 117.56 2dxc h LYS 17 Ca -0.02 -0.03 -0.33 0.00 -1.87 0.00 0.00 60.65 58.41 2dxc h LYS 17 Cb 0.14 -0.10 0.03 0.00 0.08 0.00 0.00 32.23 32.38 2dxc h LYS 17 CO 0.03 0.30 -1.46 1.98 -0.57 0.00 0.00 179.45 179.73 2dxc h MET 18 N 0.47 0.48 0.00 3.15 -1.53 -0.96 -3.39 114.93 113.15 2dxc h MET 18 Ca 0.26 -0.82 0.00 0.00 -3.44 0.00 0.00 59.70 55.70 2dxc h MET 18 Cb 0.42 0.31 0.00 0.00 -0.55 0.00 0.00 31.60 31.77 2dxc h MET 18 CO -0.07 1.39 -1.08 0.00 0.14 0.00 0.00 176.91 177.28 2dxc n ALA 19 N -2.69 4.46 -1.70 0.39 0.00 0.19 -4.87 120.51 116.30 2dxc n ALA 19 Ca -0.16 -0.57 -0.44 0.00 0.00 0.00 0.00 53.44 52.27 2dxc n ALA 19 Cb 1.09 -0.74 -0.04 0.00 0.00 0.00 0.00 19.45 19.76 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 -1.57 0.00 -0.72 0.00 -1.04 -0.01 -0.27 114.28 110.67 2dxc n THR 20 Ca 0.03 -0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.04 2dxc n THR 20 Cb 0.35 -1.78 0.00 0.00 -1.82 0.00 0.00 70.33 67.08 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 3.71 1.06 0.91 3.41 0.00 -1.26 -4.74 105.19 108.29 2dxc n GLY 21 Ca 0.16 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.17 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 0.05 0.00 -0.61 2.08 -0.25 -5.16 119.36 113.47 2dxc n ILE 22 Ca 0.00 -0.01 0.00 0.00 0.56 0.00 0.00 62.75 63.30 2dxc n ILE 22 Cb 0.00 -1.45 0.00 0.00 -0.75 0.00 0.00 39.64 37.44 2dxc n ILE 22 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2dxc n GLY 23 N 2.97 1.72 3.08 7.39 0.00 0.63 -4.64 105.19 116.34 2dxc n GLY 23 Ca -0.02 -2.00 -0.28 0.00 0.00 0.00 0.00 46.02 43.72 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 2.39 0.00 1.61 -1.08 -1.26 -0.37 116.67 117.96 2dxc s ASP 24 Ca 0.00 -0.42 0.06 0.00 -0.52 0.00 0.00 52.55 51.67 2dxc s ASP 24 Cb 0.00 -1.09 0.23 0.00 -1.46 0.00 0.00 42.92 40.60 2dxc s ASP 24 CO 0.00 0.05 1.16 -0.81 0.52 0.00 0.00 175.17 176.10 2dxc n PRO 25 N 3.93 1.23 -0.22 4.34 -0.04 -1.26 -4.95 135.00 138.02 2dxc n PRO 25 Ca -0.20 -0.36 0.19 0.00 -0.04 0.00 0.00 63.50 63.09 2dxc n PRO 25 Cb 0.52 -1.11 0.53 0.00 -0.04 0.00 0.00 33.50 33.39 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 0.60 0.36 0.00 0.54 7.50 -1.79 -0.56 115.11 121.76 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 0.14 -0.08 0.00 0.00 0.05 0.00 0.00 27.48 27.59 2dxc h GLN 26 CO 0.00 0.24 0.00 0.00 -1.50 0.00 0.00 178.83 177.57 2dxc n PHE 28 N -1.96 0.18 -1.64 0.00 3.72 -0.22 -5.00 117.46 112.54 2dxc n PHE 28 Ca 0.01 -0.10 -0.48 0.00 -0.05 0.00 0.00 57.45 56.82 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 1.21 1.81 0.00 -1.08 4.81 -0.80 -1.74 118.16 122.36 2dxc n LYS 29 Ca 0.14 0.65 0.00 0.00 -0.87 0.00 0.00 58.31 58.23 2dxc n LYS 29 Cb 0.53 -2.38 0.00 0.00 0.02 0.00 0.00 35.03 33.20 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 3.07 2.72 0.07 3.14 0.00 -1.26 -4.89 105.19 108.04 2dxc n GLY 30 Ca 0.17 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.31 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 0.13 0.03 1.61 2.81 -0.71 -3.08 117.12 115.91 2dxc n MET 31 Ca 0.00 0.25 0.12 0.00 -1.81 0.00 0.00 57.70 56.26 2dxc n MET 31 Cb 0.00 -1.70 0.20 0.00 -0.71 0.00 0.00 33.22 31.01 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 -1.67 3.20 -0.25 3.04 0.00 -1.26 -4.59 120.51 118.99 2dxc n ALA 32 Ca 0.04 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.18 2dxc n ALA 32 Cb 0.29 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 18.60 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 1.41 -0.01 3.74 0.00 0.00 -1.18 -4.79 105.19 104.36 2dxc n GLY 33 Ca 0.04 -0.98 -0.41 0.00 0.00 0.00 0.00 46.02 44.67 2dxc n GLY 33 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dxc s LYS 34 N 0.00 4.59 0.36 1.61 -0.14 -1.26 -4.99 119.74 119.91 2dxc s LYS 34 Ca 0.00 1.71 -0.27 0.00 -1.36 0.00 0.00 55.97 56.05 2dxc s LYS 34 Cb 0.00 -3.29 -0.09 0.00 -1.68 0.00 0.00 37.83 32.77 2dxc s LYS 34 CO 0.00 0.06 1.15 -1.54 -0.76 0.00 0.00 175.35 174.26 2dxc s SER 35 N -0.02 6.80 0.31 2.83 1.04 -1.26 -4.95 113.70 118.45 2dxc s SER 35 Ca 0.50 2.32 0.18 0.00 0.48 0.00 0.00 55.95 59.43 2dxc s SER 35 Cb -0.29 -2.62 0.13 0.00 0.10 0.00 0.00 66.02 63.34 2dxc s SER 35 CO 0.34 -0.48 1.45 0.50 0.98 0.00 0.00 173.24 176.04 2dxc h LYS 36 N 3.04 0.00 -5.17 4.02 3.64 -1.97 -3.46 116.57 116.67 2dxc h LYS 36 Ca -0.48 0.00 -0.40 0.00 -1.27 0.00 0.00 60.65 58.50 2dxc h LYS 36 Cb 1.22 0.00 -0.14 0.00 -0.41 0.00 0.00 32.23 32.90 2dxc h LYS 36 CO 0.64 0.34 -0.67 -0.06 -2.27 0.00 0.00 179.45 177.43 2dxc s PHE 37 N -3.04 1.60 0.23 1.91 0.08 -1.26 -5.12 117.98 112.38 2dxc s PHE 37 Ca 0.04 -0.85 0.03 0.00 0.12 0.00 0.00 56.93 56.27 2dxc s PHE 37 Cb 0.07 -0.91 -0.05 0.00 -0.57 0.00 0.00 43.02 41.56 2dxc s PHE 37 CO 0.73 0.04 0.00 -0.80 -0.10 0.00 0.00 175.22 175.09 2dxc s ASN 38 N -3.31 1.79 0.22 1.36 -0.87 -1.26 -5.06 114.94 107.81 2dxc s ASN 38 Ca 0.27 -1.23 -0.32 0.00 -1.57 0.00 0.00 52.86 50.02 2dxc s ASN 38 Cb 0.05 0.02 -0.13 0.00 -0.02 0.00 0.00 41.25 41.16 2dxc s ASN 38 CO 0.08 -0.52 1.45 0.52 -2.57 0.00 0.00 177.10 176.06 2dxc n VAL 39 N -0.42 0.72 0.00 1.60 0.31 -1.26 -1.87 118.33 117.41 2dxc n VAL 39 Ca -0.05 -0.18 0.00 0.00 -0.01 0.00 0.00 64.34 64.10 2dxc n VAL 39 Cb 0.64 -1.49 0.00 0.00 -0.91 0.00 0.00 33.84 32.08 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 2.45 3.30 3.76 2.92 0.00 0.59 -5.01 105.19 113.20 2dxc n GLY 40 Ca 0.13 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.60 6.00 -0.24 1.61 1.01 -0.78 -4.70 116.67 118.97 2dxc s ASP 41 Ca 0.00 2.57 -0.15 0.00 0.71 0.00 0.00 52.55 55.67 2dxc s ASP 41 Cb 0.00 -2.63 -0.04 0.00 1.01 0.00 0.00 42.92 41.27 2dxc s ASP 41 CO 0.00 -1.05 0.38 -0.13 0.21 0.00 0.00 175.17 174.57 2dxc s ARG 42 N -2.56 4.09 0.08 8.23 1.81 -1.26 -1.69 118.95 127.64 2dxc s ARG 42 Ca 0.63 0.10 0.07 0.00 -1.72 0.00 0.00 55.73 54.81 2dxc s ARG 42 Cb -0.35 -3.60 -0.03 0.00 -0.45 0.00 0.00 34.95 30.52 2dxc s ARG 42 CO 0.44 -0.16 -0.18 0.14 -0.68 0.00 0.00 175.30 174.86 2dxc s VAL 43 N 1.71 1.41 -0.05 3.52 -7.23 -0.40 -0.43 120.40 118.93 2dxc s VAL 43 Ca 0.16 -1.34 -0.00 0.00 -1.81 0.00 0.00 61.98 58.99 2dxc s VAL 43 Cb -0.15 -1.29 -0.03 0.00 0.56 0.00 0.00 36.38 35.46 2dxc s VAL 43 CO 0.09 -0.08 -0.01 -0.60 -0.31 0.00 0.00 175.10 174.19 2dxc s ARG 44 N -1.65 2.87 -0.29 4.82 3.52 -0.03 -0.64 118.95 127.55 2dxc s ARG 44 Ca 0.03 -0.50 -0.24 0.00 -0.13 0.00 0.00 55.73 54.88 2dxc s ARG 44 Cb -0.10 -2.72 0.00 0.00 -1.56 0.00 0.00 34.95 30.58 2dxc s ARG 44 CO 0.03 0.67 0.83 0.42 -0.81 0.00 0.00 175.30 176.43 2dxc s ILE 45 N -0.95 4.78 0.32 4.11 -1.09 -0.37 -2.45 121.20 125.56 2dxc s ILE 45 Ca 0.15 1.34 -0.28 0.00 -2.23 0.00 0.00 60.65 59.63 2dxc s ILE 45 Cb -0.11 -4.16 -0.10 0.00 -1.58 0.00 0.00 42.46 36.51 2dxc s ILE 45 CO 0.05 -0.22 1.17 -0.54 -1.23 0.00 0.00 174.94 174.17 2dxc s LYS 46 N 2.99 4.44 -1.26 2.79 1.02 0.14 -0.42 119.74 129.44 2dxc s LYS 46 Ca 0.34 1.93 -0.10 0.00 0.02 0.00 0.00 55.97 58.16 2dxc s LYS 46 Cb -0.14 -3.04 0.17 0.00 -0.52 0.00 0.00 37.83 34.30 2dxc s LYS 46 CO 0.11 -0.01 1.77 -3.47 -0.92 0.00 0.00 175.35 172.84 2dxc n ASP 47 N 0.84 5.16 -4.78 2.83 2.03 -1.26 -4.75 116.55 116.62 2dxc n ASP 47 Ca 0.00 -3.10 -0.33 0.00 0.52 0.00 0.00 54.79 51.88 2dxc n ASP 47 Cb 0.44 -1.49 0.02 0.00 -0.72 0.00 0.00 41.12 39.38 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 0.09 3.52 0.32 -2.67 1.43 -1.26 -4.95 118.68 115.16 2dxc s LEU 48 Ca 0.40 1.97 -0.28 0.00 -1.03 0.00 0.00 54.13 55.19 2dxc s LEU 48 Cb 0.07 -4.55 -0.13 0.00 0.03 0.00 0.00 46.19 41.61 2dxc s LEU 48 CO 0.01 -1.36 1.15 -2.65 0.23 0.00 0.00 176.35 173.73 2dxc n PRO 49 N -2.00 1.75 0.00 1.29 -0.02 -1.26 -4.91 135.00 129.85 2dxc n PRO 49 Ca 0.10 0.61 0.08 0.00 -2.02 0.00 0.00 63.50 62.27 2dxc n PRO 49 Cb 0.52 -2.09 0.06 0.00 -0.02 0.00 0.00 33.50 31.97 2dxc n PRO 49 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2dxc n ASP 50 N 0.98 2.26 -4.54 2.55 10.43 -1.26 -5.01 116.55 121.97 2dxc n ASP 50 Ca 0.07 -1.63 -0.56 0.00 2.57 0.00 0.00 54.79 55.24 2dxc n ASP 50 Cb 0.34 0.06 -0.07 0.00 1.84 0.00 0.00 41.12 43.28 2dxc n ASP 50 CO 0.00 0.00 0.00 -0.11 -1.07 0.00 0.00 177.20 176.02 2dxc n LEU 51 N 0.79 0.70 0.00 0.64 7.94 -1.26 -2.74 117.00 123.07 2dxc n LEU 51 Ca 0.09 1.14 0.00 0.00 -1.11 0.00 0.00 56.01 56.13 2dxc n LEU 51 Cb 0.40 -1.03 0.00 0.00 0.53 0.00 0.00 43.42 43.31 2dxc n LEU 51 CO 0.11 -1.53 0.00 0.49 -1.11 0.00 0.00 177.39 175.35 2dxc n PHE 52 N 1.97 0.00 -3.58 1.96 0.99 -1.26 -4.84 117.46 112.71 2dxc n PHE 52 Ca 0.19 0.00 -0.12 0.00 -0.00 0.00 0.00 57.45 57.53 2dxc n PHE 52 Cb 0.12 0.00 -0.06 0.00 -1.00 0.00 0.00 39.48 38.55 2dxc n PHE 52 CO 0.00 0.00 0.00 -0.47 -0.00 0.00 0.00 176.76 176.29 2dxc s TYR 53 N 0.00 -0.44 -0.23 1.38 5.04 -1.11 -5.17 117.35 116.83 2dxc s TYR 53 Ca 0.00 0.80 -0.29 0.00 -2.44 0.00 0.00 57.07 55.14 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 -0.37 1.16 -0.08 -1.34 0.00 0.00 175.55 174.92 2dxc s THR 54 N -0.93 0.00 -0.11 4.34 -1.32 -1.26 -4.84 115.64 111.52 2dxc s THR 54 Ca -0.03 0.00 0.14 0.00 -1.21 0.00 0.00 61.69 60.60 2dxc s THR 54 Cb -0.01 -1.00 0.23 0.00 -1.51 0.00 0.00 72.50 70.21 2dxc s THR 54 CO 0.02 0.00 1.13 0.54 -2.21 0.00 0.00 174.62 174.10 2dxc n ARG 55 N 0.86 1.76 -3.57 7.08 1.74 -1.26 -4.87 116.66 118.40 2dxc n ARG 55 Ca -0.07 -2.33 -0.40 0.00 -0.77 0.00 0.00 57.85 54.27 2dxc n ARG 55 Cb 0.58 -1.39 -0.08 0.00 -1.02 0.00 0.00 32.46 30.55 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 -2.42 4.26 0.27 0.55 2.01 -1.26 -5.00 115.64 114.05 2dxc s THR 56 Ca 0.25 -2.25 -0.27 0.00 0.31 0.00 0.00 61.69 59.73 2dxc s THR 56 Cb 0.22 -3.77 -0.15 0.00 0.01 0.00 0.00 72.50 68.80 2dxc s THR 56 CO 0.03 -0.84 0.69 0.23 -0.69 0.00 0.00 174.62 174.03 2dxc n MET 57 N 4.33 0.56 -0.20 4.92 2.81 -1.26 -4.88 117.12 123.40 2dxc n MET 57 Ca 0.01 0.20 0.04 0.00 -1.81 0.00 0.00 57.70 56.13 2dxc n MET 57 Cb 0.41 -1.37 0.31 0.00 -0.71 0.00 0.00 33.22 31.86 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 1.31 1.09 0.00 2.03 2.02 -1.98 -1.99 112.91 115.38 2dxc h THR 58 Ca -0.34 -0.30 0.00 0.00 0.77 0.00 0.00 66.41 66.54 2dxc h THR 58 Cb 1.40 0.15 0.00 0.00 -1.74 0.00 0.00 68.15 67.96 2dxc h THR 58 CO 0.57 0.16 0.00 0.00 0.37 0.00 0.00 175.52 176.62 2dxc n TYR 59 N -4.46 0.43 0.49 3.16 0.18 -1.26 -1.78 117.16 113.92 2dxc n TYR 59 Ca 0.10 0.21 0.11 0.00 1.88 0.00 0.00 57.90 60.20 2dxc n TYR 59 Cb 0.15 -0.84 -0.10 0.00 -0.38 0.00 0.00 39.34 38.17 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 -1.93 0.06 -1.67 -3.48 -2.24 -0.75 -4.90 114.28 99.36 2dxc n THR 60 Ca -0.00 -0.26 -0.46 0.00 -2.27 0.00 0.00 64.05 61.05 2dxc n THR 60 Cb 0.06 0.38 -0.04 0.00 -2.10 0.00 0.00 70.33 68.63 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 -1.93 2.19 -0.45 -0.78 5.12 -0.73 -1.63 116.66 118.44 2dxc n ARG 61 Ca 0.00 0.79 0.00 0.00 -1.93 0.00 0.00 57.85 56.72 2dxc n ARG 61 Cb 0.45 -2.58 0.00 0.00 -1.16 0.00 0.00 32.46 29.17 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 3.69 1.99 3.89 -0.13 0.00 0.44 -4.98 105.19 110.08 2dxc n GLY 62 Ca 0.18 0.00 -0.29 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 -3.41 3.40 -0.09 4.61 0.00 -0.65 -4.71 121.76 120.91 2dxc s ALA 63 Ca 0.00 -0.33 0.01 0.00 0.00 0.00 0.00 51.96 51.64 2dxc s ALA 63 Cb 0.00 -2.62 -0.03 0.00 0.00 0.00 0.00 23.12 20.48 2dxc s ALA 63 CO 0.00 -0.06 -0.10 0.99 0.00 0.00 0.00 175.76 176.59 2dxc s THR 64 N -2.42 3.42 0.24 0.00 2.01 -1.26 -1.23 115.64 116.40 2dxc s THR 64 Ca 0.49 -0.57 0.05 0.00 0.31 0.00 0.00 61.69 61.98 2dxc s THR 64 Cb -0.10 -2.40 -0.02 0.00 0.01 0.00 0.00 72.50 69.98 2dxc s THR 64 CO 0.34 0.57 0.19 0.61 -0.69 0.00 0.00 174.62 175.64 2dxc n GLY 65 N 2.70 3.25 3.35 4.40 0.00 0.18 -4.66 105.19 114.41 2dxc n GLY 65 Ca -0.18 -1.85 -0.33 0.00 0.00 0.00 0.00 46.02 43.67 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 -2.94 2.94 -0.00 2.61 2.01 -0.41 -1.27 115.64 118.59 2dxc s THR 66 Ca 0.27 -0.70 -0.30 0.00 0.31 0.00 0.00 61.69 61.27 2dxc s THR 66 Cb 0.01 -2.23 -0.04 0.00 0.01 0.00 0.00 72.50 70.25 2dxc s THR 66 CO 0.19 0.53 1.22 -0.63 -0.69 0.00 0.00 174.62 175.23 2dxc s ILE 67 N 0.40 4.13 -0.51 1.82 1.01 -0.68 -0.57 121.20 126.79 2dxc s ILE 67 Ca -0.11 1.49 0.06 0.00 0.00 0.00 0.00 60.65 62.09 2dxc s ILE 67 Cb -0.16 -3.96 -0.01 0.00 0.01 0.00 0.00 42.46 38.34 2dxc s ILE 67 CO 0.05 0.04 0.45 1.33 0.00 0.00 0.00 174.94 176.81 2dxc n VAL 68 N 4.35 0.00 -3.64 2.92 0.24 -0.07 -0.30 118.33 121.82 2dxc n VAL 68 Ca 0.10 -0.42 -0.05 0.00 -2.04 0.00 0.00 64.34 61.94 2dxc n VAL 68 Cb 0.46 1.06 -0.06 0.00 -1.47 0.00 0.00 33.84 33.83 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 -1.12 0.19 -0.55 7.34 3.52 -1.22 -4.91 118.95 122.19 2dxc s ARG 69 Ca 0.05 0.16 -0.17 0.00 -0.13 0.00 0.00 55.73 55.64 2dxc s ARG 69 Cb 0.05 0.09 0.11 0.00 -1.56 0.00 0.00 34.95 33.64 2dxc s ARG 69 CO 0.17 -0.04 0.57 -0.51 -0.81 0.00 0.00 175.30 174.69 2dxc s LEU 70 N -0.26 5.74 0.14 -0.88 1.02 -1.26 -0.74 118.68 122.45 2dxc s LEU 70 Ca 0.06 -1.54 -0.10 0.00 0.02 0.00 0.00 54.13 52.56 2dxc s LEU 70 Cb -0.04 -2.26 -0.04 0.00 0.02 0.00 0.00 46.19 43.87 2dxc s LEU 70 CO -0.11 -0.94 1.45 -0.37 0.02 0.00 0.00 176.35 176.41 2dxc h VAL 71 N 5.89 1.27 0.00 -1.59 -1.51 -1.80 -3.49 116.25 115.02 2dxc h VAL 71 Ca -0.29 -1.64 0.00 0.00 -1.23 0.00 0.00 66.70 63.54 2dxc h VAL 71 Cb 1.10 1.50 0.00 0.00 -2.13 0.00 0.00 31.29 31.75 2dxc h VAL 71 CO 1.04 0.54 0.00 0.00 -1.23 0.00 0.00 177.57 177.92 2dxc n TYR 72 N -4.03 0.00 -4.80 5.19 0.18 -1.25 -5.05 117.16 107.40 2dxc n TYR 72 Ca -0.03 0.00 -0.30 0.00 1.88 0.00 0.00 57.90 59.45 2dxc n TYR 72 Cb 0.58 0.00 -0.14 0.00 -0.38 0.00 0.00 39.34 39.40 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 -1.44 1.92 -0.21 -3.48 2.02 -1.26 -1.50 118.70 114.75 2dxc s GLU 73 Ca 0.00 -1.05 -0.35 0.00 0.02 0.00 0.00 54.97 53.59 2dxc s GLU 73 Cb 0.00 -2.07 0.15 0.00 0.10 0.00 0.00 34.13 32.31 2dxc s GLU 73 CO 0.00 0.52 1.23 0.45 0.02 0.00 0.00 175.26 177.49 2dxc s SER 74 N -1.32 -0.12 0.57 -0.19 0.15 -0.63 -4.61 113.70 107.55 2dxc s SER 74 Ca 0.13 0.02 -0.19 0.00 0.70 0.00 0.00 55.95 56.62 2dxc s SER 74 Cb -0.10 0.12 -0.05 0.00 -1.71 0.00 0.00 66.02 64.29 2dxc s SER 74 CO 0.03 -0.19 1.13 -2.16 1.20 0.00 0.00 173.24 173.25 2dxc s PRO 75 N -2.16 3.24 0.61 5.44 0.04 -1.26 -1.45 135.00 139.47 2dxc s PRO 75 Ca 0.09 1.57 -0.18 0.00 0.04 0.00 0.00 61.00 62.52 2dxc s PRO 75 Cb -0.01 -1.99 -0.03 0.00 0.04 0.00 0.00 34.50 32.51 2dxc s PRO 75 CO -0.04 -0.93 1.22 0.00 0.04 0.00 0.00 177.00 177.28 2dxc s ALA 76 N -1.88 2.48 0.44 8.56 0.00 -1.26 -4.76 121.76 125.34 2dxc s ALA 76 Ca 0.72 1.03 0.12 0.00 0.00 0.00 0.00 51.96 53.82 2dxc s ALA 76 Cb -0.23 -3.47 0.97 0.00 0.00 0.00 0.00 23.12 20.39 2dxc s ALA 76 CO 0.30 -1.30 2.02 0.00 0.00 0.00 0.00 175.76 176.78 2dxc h ALA 77 N 0.72 1.71 -0.02 0.00 0.00 -1.98 -0.15 119.26 119.54 2dxc h ALA 77 Ca -0.50 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.30 2dxc h ALA 77 Cb 1.30 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 2dxc h ALA 77 CO 0.54 0.22 0.02 0.93 0.00 0.00 0.00 179.25 180.96 2dxc h GLU 78 N 0.19 0.00 0.01 0.00 3.07 -1.90 -0.11 114.58 115.84 2dxc h GLU 78 Ca 0.04 0.00 -0.41 0.00 -0.50 0.00 0.00 59.36 58.49 2dxc h GLU 78 Cb 0.18 0.00 -0.07 0.00 -0.84 0.00 0.00 28.75 28.02 2dxc h GLU 78 CO 0.01 0.00 -2.43 -0.25 -1.40 0.00 0.00 179.01 174.94 2dxc n ASP 79 N -3.95 1.98 -0.36 1.42 8.00 -0.56 -4.46 116.55 118.61 2dxc n ASP 79 Ca -0.03 0.10 0.01 0.00 0.71 0.00 0.00 54.79 55.58 2dxc n ASP 79 Cb 0.11 -0.62 0.15 0.00 -0.02 0.00 0.00 41.12 40.73 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 -0.43 1.17 0.00 -1.24 4.81 -0.91 0.05 114.58 118.03 2dxc h GLU 80 Ca -0.61 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 58.55 2dxc h GLU 80 Cb 1.77 -0.26 0.00 0.00 0.63 0.00 0.00 28.75 30.89 2dxc h GLU 80 CO -0.22 0.77 0.00 0.00 -0.73 0.00 0.00 179.01 178.84 2dxc n ALA 81 N -2.36 1.49 -0.81 2.92 0.00 -0.07 -1.60 120.51 120.08 2dxc n ALA 81 Ca 0.14 -0.04 0.06 0.00 0.00 0.00 0.00 53.44 53.60 2dxc n ALA 81 Cb 0.13 -1.15 0.08 0.00 0.00 0.00 0.00 19.45 18.52 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 -1.40 0.00 -1.19 0.00 3.72 -0.53 -4.99 117.46 113.07 2dxc n PHE 82 Ca 0.03 -0.75 -0.04 0.00 -0.05 0.00 0.00 57.45 56.64 2dxc n PHE 82 Cb 0.09 -0.11 -0.02 0.00 -0.94 0.00 0.00 39.48 38.50 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 -1.01 0.69 3.17 1.37 0.00 -0.63 -5.01 105.19 103.77 2dxc n GLY 83 Ca 0.10 -0.86 -0.38 0.00 0.00 0.00 0.00 46.02 44.88 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 -2.94 5.45 -0.06 1.61 0.02 -0.11 -4.91 114.94 113.99 2dxc s ASN 84 Ca 0.00 -1.92 0.10 0.00 -1.02 0.00 0.00 52.86 50.02 2dxc s ASN 84 Cb 0.00 -1.91 0.27 0.00 0.02 0.00 0.00 41.25 39.63 2dxc s ASN 84 CO 0.00 -0.59 1.21 -0.62 0.02 0.00 0.00 177.10 177.11 2dxc n GLU 85 N 4.74 2.68 0.19 -0.60 1.02 -1.26 -3.19 120.64 124.22 2dxc n GLU 85 Ca -0.05 -2.15 0.05 0.00 -0.02 0.00 0.00 57.16 54.98 2dxc n GLU 85 Cb 0.41 -1.35 0.49 0.00 -0.02 0.00 0.00 31.44 30.96 2dxc n GLU 85 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2dxc h GLU 86 N 1.13 0.10 -5.49 3.49 3.07 -1.97 -3.42 114.58 111.49 2dxc h GLU 86 Ca 0.00 -0.02 -0.65 0.00 -0.50 0.00 0.00 59.36 58.19 2dxc h GLU 86 Cb 0.86 -0.02 -0.22 0.00 -0.84 0.00 0.00 28.75 28.53 2dxc h GLU 86 CO 0.05 0.22 -0.70 -0.80 -1.40 0.00 0.00 179.01 176.38 2dxc s ASN 87 N -6.96 4.58 -0.01 1.42 0.01 -1.26 -5.11 114.94 107.61 2dxc s ASN 87 Ca -0.05 -0.15 0.08 0.00 -0.71 0.00 0.00 52.86 52.03 2dxc s ASN 87 Cb 0.16 -1.61 -0.02 0.00 0.41 0.00 0.00 41.25 40.19 2dxc s ASN 87 CO 0.71 0.21 -0.25 -0.69 -1.51 0.00 0.00 177.10 175.57 2dxc s VAL 88 N 0.10 1.98 0.19 1.60 1.01 -1.26 -4.07 120.40 119.96 2dxc s VAL 88 Ca -0.02 -1.12 -0.01 0.00 0.00 0.00 0.00 61.98 60.82 2dxc s VAL 88 Cb -0.14 -1.66 -0.04 0.00 0.00 0.00 0.00 36.38 34.55 2dxc s VAL 88 CO 0.03 0.51 0.13 -1.83 0.00 0.00 0.00 175.10 173.95 2dxc s GLU 89 N -0.72 1.18 0.28 2.72 -1.05 -0.53 -4.22 118.70 116.36 2dxc s GLU 89 Ca 0.10 -1.59 -0.29 0.00 -0.15 0.00 0.00 54.97 53.04 2dxc s GLU 89 Cb -0.10 0.27 -0.09 0.00 -0.44 0.00 0.00 34.13 33.78 2dxc s GLU 89 CO -0.00 -0.38 1.01 -1.58 0.95 0.00 0.00 175.26 175.25 2dxc s TRP 90 N -4.14 3.73 -0.09 4.83 0.52 -1.26 -1.60 118.94 120.93 2dxc s TRP 90 Ca 0.36 1.80 -0.00 0.00 0.02 0.00 0.00 56.10 58.28 2dxc s TRP 90 Cb 0.07 -3.10 -0.03 0.00 -1.15 0.00 0.00 33.47 29.26 2dxc s TRP 90 CO 0.11 -0.05 -0.06 -0.06 0.02 0.00 0.00 176.95 176.91 2dxc s PHE 91 N -1.27 2.96 0.01 -1.98 0.40 -0.56 -0.74 117.98 116.79 2dxc s PHE 91 Ca 0.45 -0.07 0.07 0.00 -0.60 0.00 0.00 56.93 56.78 2dxc s PHE 91 Cb -0.27 -1.77 -0.02 0.00 0.51 0.00 0.00 43.02 41.47 2dxc s PHE 91 CO 0.34 0.23 -0.22 0.71 0.70 0.00 0.00 175.22 176.98 2dxc s TYR 92 N -0.50 1.98 -0.26 0.36 2.02 -0.69 -2.21 117.35 118.05 2dxc s TYR 92 Ca 0.07 -0.38 -0.16 0.00 -0.37 0.00 0.00 57.07 56.24 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 0.02 0.40 0.45 -1.57 0.00 0.00 175.55 174.87 2dxc s SER 93 N -0.77 6.31 -0.05 2.29 0.15 0.08 -1.17 113.70 120.55 2dxc s SER 93 Ca 0.09 0.37 0.04 0.00 0.70 0.00 0.00 55.95 57.14 2dxc s SER 93 Cb -0.09 -2.23 -0.02 0.00 -1.71 0.00 0.00 66.02 61.97 2dxc s SER 93 CO 0.00 -0.18 -0.15 -0.63 1.20 0.00 0.00 173.24 173.48 2dxc s ILE 94 N 1.98 2.98 -0.19 6.45 -1.09 0.07 -0.89 121.20 130.50 2dxc s ILE 94 Ca 0.17 -0.75 -0.04 0.00 -2.23 0.00 0.00 60.65 57.79 2dxc s ILE 94 Cb -0.16 -2.16 -0.02 0.00 -1.58 0.00 0.00 42.46 38.54 2dxc s ILE 94 CO 0.09 0.59 -0.02 -0.69 -1.23 0.00 0.00 174.94 173.68 2dxc s VAL 95 N -0.64 3.76 0.03 2.92 1.01 0.26 -1.91 120.40 125.84 2dxc s VAL 95 Ca 0.10 -0.38 0.04 0.00 0.00 0.00 0.00 61.98 61.74 2dxc s VAL 95 Cb -0.11 -2.69 -0.04 0.00 0.00 0.00 0.00 36.38 33.55 2dxc s VAL 95 CO 0.01 0.44 -0.06 -0.36 0.00 0.00 0.00 175.10 175.13 2dxc s PHE 96 N 0.94 2.88 0.00 5.22 0.08 0.45 -1.28 117.98 126.27 2dxc s PHE 96 Ca 0.00 -0.06 -0.29 0.00 0.12 0.00 0.00 56.93 56.71 2dxc s PHE 96 Cb -0.14 -1.57 -0.04 0.00 -0.57 0.00 0.00 43.02 40.70 2dxc s PHE 96 CO 0.01 0.40 0.92 0.00 -0.10 0.00 0.00 175.22 176.45 2dxc s ALA 97 N -1.08 3.21 0.32 5.36 0.00 -1.26 -1.27 121.76 127.03 2dxc s ALA 97 Ca 0.19 0.46 0.06 0.00 0.00 0.00 0.00 51.96 52.68 2dxc s ALA 97 Cb -0.11 -3.25 0.74 0.00 0.00 0.00 0.00 23.12 20.50 2dxc s ALA 97 CO 0.10 -0.17 1.81 1.96 0.00 0.00 0.00 175.76 179.47 2dxc h GLN 98 N 6.59 0.76 0.00 0.00 1.08 -1.71 0.17 115.11 121.99 2dxc h GLN 98 Ca -0.41 -0.05 -0.00 0.00 -1.45 0.00 0.00 58.65 56.74 2dxc h GLN 98 Cb 1.21 -0.17 -0.00 0.00 -0.05 0.00 0.00 27.48 28.47 2dxc h GLN 98 CO 0.74 0.50 -0.02 1.57 -0.95 0.00 0.00 178.83 180.68 2dxc h LYS 99 N 0.78 0.00 0.00 1.46 2.10 -1.82 -0.01 116.57 119.08 2dxc h LYS 99 Ca 0.53 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.18 2dxc h LYS 99 Cb 0.81 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.14 2dxc h LYS 99 CO -0.31 0.02 -0.21 -0.25 -2.00 0.00 0.00 179.45 176.70 2dxc n ASP 100 N -3.34 0.33 -0.12 7.07 8.00 0.60 -4.10 116.55 124.99 2dxc n ASP 100 Ca -0.02 0.25 -0.24 0.00 0.71 0.00 0.00 54.79 55.49 2dxc n ASP 100 Cb 0.13 -0.25 -0.10 0.00 -0.02 0.00 0.00 41.12 40.88 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 -1.67 2.13 -4.24 0.64 4.77 -0.15 -4.88 117.00 113.61 2dxc n LEU 101 Ca 0.06 0.17 -0.36 0.00 -0.03 0.00 0.00 56.01 55.85 2dxc n LEU 101 Cb 0.36 -0.76 -0.13 0.00 -2.33 0.00 0.00 43.42 40.56 2dxc n LEU 101 CO 0.31 0.64 -0.30 0.26 -1.33 0.00 0.00 177.39 176.96 2dxc s TRP 102 N -2.46 3.23 0.44 -1.77 0.52 -0.40 -5.00 118.94 113.50 2dxc s TRP 102 Ca -0.34 -1.54 0.22 0.00 0.02 0.00 0.00 56.10 54.46 2dxc s TRP 102 Cb 0.12 -2.20 1.21 0.00 -1.15 0.00 0.00 33.47 31.45 2dxc s TRP 102 CO 0.47 -0.74 1.81 -1.35 0.02 0.00 0.00 176.95 177.16 2dxc h PRO 103 N 8.13 0.29 -0.01 4.98 0.11 -1.87 -1.52 132.00 142.11 2dxc h PRO 103 Ca -0.24 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.85 2dxc h PRO 103 Cb 1.08 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.13 2dxc h PRO 103 CO 0.58 0.19 -0.06 -0.85 -0.21 0.00 0.00 178.00 177.64 2dxc n GLU 104 N -4.49 1.17 -1.68 1.05 0.00 -1.26 -4.94 120.64 110.48 2dxc n GLU 104 Ca 0.23 -0.52 -0.44 0.00 0.00 0.00 0.00 57.16 56.43 2dxc n GLU 104 Cb 0.90 -1.49 -0.03 0.00 0.00 0.00 0.00 31.44 30.82 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 -0.46 2.26 -2.46 -1.84 9.36 -0.57 -4.92 117.16 118.53 2dxc n TYR 105 Ca 0.18 0.40 -0.41 0.00 3.32 0.00 0.00 57.90 61.40 2dxc n TYR 105 Cb 0.29 -2.48 -0.04 0.00 -0.63 0.00 0.00 39.34 36.48 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 0.34 7.22 0.35 2.98 0.15 -1.26 -4.92 113.70 118.56 2dxc s SER 106 Ca 0.68 2.22 0.26 0.00 0.70 0.00 0.00 55.95 59.81 2dxc s SER 106 Cb -0.63 -2.62 1.22 0.00 -1.71 0.00 0.00 66.02 62.28 2dxc s SER 106 CO 0.49 -0.22 1.79 0.44 1.20 0.00 0.00 173.24 176.95 2dxc h ASP 107 N 4.46 0.00 -0.10 5.45 3.32 -2.00 -1.96 116.42 125.60 2dxc h ASP 107 Ca -0.46 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.54 2dxc h ASP 107 Cb 1.21 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.75 2dxc h ASP 107 CO 0.70 0.00 -0.09 0.74 -1.72 0.00 0.00 179.24 178.87 2dxc h THR 108 N 0.00 1.20 -1.72 0.35 2.02 -2.01 -2.83 112.91 109.92 2dxc h THR 108 Ca 0.00 -0.86 -0.67 0.00 0.77 0.00 0.00 66.41 65.65 2dxc h THR 108 Cb 0.25 1.11 -0.35 0.00 -1.74 0.00 0.00 68.15 67.42 2dxc h THR 108 CO 0.00 0.28 0.13 0.49 0.37 0.00 0.00 175.52 176.78 2dxc n PHE 109 N -4.25 3.20 0.33 3.16 3.72 -0.74 -4.84 117.46 118.04 2dxc n PHE 109 Ca 0.00 -2.73 0.04 0.00 -0.05 0.00 0.00 57.45 54.71 2dxc n PHE 109 Cb 0.28 -0.62 0.19 0.00 -0.94 0.00 0.00 39.48 38.39 2dxc n PHE 109 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2dxc n ALA 110 N -0.52 1.45 1.01 4.37 0.00 -1.07 -2.69 120.51 123.06 2dxc n ALA 110 Ca 0.46 -0.03 0.11 0.00 0.00 0.00 0.00 53.44 53.98 2dxc n ALA 110 Cb 0.47 -1.14 -0.03 0.00 0.00 0.00 0.00 19.45 18.75 2dxc n ALA 110 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2dxc n ASN 111 N -1.42 1.36 -4.77 0.00 5.03 -1.26 -4.96 115.26 109.24 2dxc n ASN 111 Ca 0.03 -1.14 -0.39 0.00 0.87 0.00 0.00 54.58 53.94 2dxc n ASN 111 Cb 0.09 0.71 0.01 0.00 -1.02 0.00 0.00 39.78 39.57 2dxc n ASN 111 CO 0.00 0.00 0.00 -1.81 -1.83 0.00 0.00 177.26 173.62 2dxc s ASP 112 N -2.78 6.01 0.27 6.41 1.01 -1.10 -4.96 116.67 121.53 2dxc s ASP 112 Ca 0.13 2.76 0.03 0.00 0.71 0.00 0.00 52.55 56.18 2dxc s ASP 112 Cb 0.17 -2.64 -0.04 0.00 1.01 0.00 0.00 42.92 41.42 2dxc s ASP 112 CO 0.73 -1.06 0.20 0.42 0.21 0.00 0.00 175.17 175.66 2dxc s THR 113 N -1.25 0.03 -0.03 -1.27 -4.23 -1.26 -1.97 115.64 105.65 2dxc s THR 113 Ca 0.60 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.11 2dxc s THR 113 Cb -0.40 -2.50 0.03 0.00 1.34 0.00 0.00 72.50 70.96 2dxc s THR 113 CO 0.51 0.00 0.02 -0.22 -0.54 0.00 0.00 174.62 174.39 2dxc s LEU 114 N -3.27 1.06 -0.07 4.79 0.20 -0.40 -4.82 118.68 116.17 2dxc s LEU 114 Ca 0.40 0.00 0.04 0.00 0.69 0.00 0.00 54.13 55.26 2dxc s LEU 114 Cb 0.05 -0.17 -0.02 0.00 -0.43 0.00 0.00 46.19 45.63 2dxc s LEU 114 CO 0.19 -0.12 -0.20 -0.70 -0.29 0.00 0.00 176.35 175.23 2dxc s GLU 115 N 1.13 2.68 0.22 1.98 2.12 -1.26 -0.41 118.70 125.16 2dxc s GLU 115 Ca -0.08 -0.82 -0.19 0.00 0.36 0.00 0.00 54.97 54.24 2dxc s GLU 115 Cb -0.13 -2.29 0.03 0.00 0.26 0.00 0.00 34.13 31.99 2dxc s GLU 115 CO -0.02 0.41 0.59 -0.08 -0.54 0.00 0.00 175.26 175.62 2dxc s THR 116 N -0.21 0.01 -0.08 -1.70 -1.32 -0.80 -4.98 115.64 106.56 2dxc s THR 116 Ca -0.01 -0.74 -0.03 0.00 -1.21 0.00 0.00 61.69 59.69 2dxc s THR 116 Cb -0.13 -1.64 -0.04 0.00 -1.51 0.00 0.00 72.50 69.18 2dxc s THR 116 CO 0.03 -0.05 0.07 -1.61 -2.21 0.00 0.00 174.62 170.85 2dxc s GLU 117 N -3.87 3.18 -0.01 7.08 2.02 -1.26 -0.75 118.70 125.08 2dxc s GLU 117 Ca 0.09 -0.32 0.00 0.00 0.02 0.00 0.00 54.97 54.76 2dxc s GLU 117 Cb -0.02 -2.96 0.02 0.00 0.10 0.00 0.00 34.13 31.26 2dxc s GLU 117 CO -0.01 0.72 0.01 0.42 0.02 0.00 0.00 175.26 176.42 2dxc s ILE 118 N -1.01 0.03 0.60 -1.63 1.01 -0.31 -4.92 121.20 114.96 2dxc s ILE 118 Ca 0.16 0.08 -0.17 0.00 0.00 0.00 0.00 60.65 60.72 2dxc s ILE 118 Cb -0.12 -0.10 -0.03 0.00 0.01 0.00 0.00 42.46 42.23 2dxc s ILE 118 CO 0.06 0.06 1.11 -2.16 0.00 0.00 0.00 174.94 174.01 2dxc s PRO 119 N 0.55 3.12 0.42 2.79 0.04 -1.26 -1.71 135.00 138.96 2dxc s PRO 119 Ca -0.05 1.45 0.22 0.00 0.04 0.00 0.00 61.00 62.67 2dxc s PRO 119 Cb -0.07 -1.99 1.21 0.00 0.04 0.00 0.00 34.50 33.69 2dxc s PRO 119 CO -0.01 -1.00 1.75 1.49 0.04 0.00 0.00 177.00 179.27 2dxc h GLU 120 N 0.61 0.29 -0.18 4.56 4.81 -1.29 -2.17 114.58 121.21 2dxc h GLU 120 Ca -0.48 -0.02 0.05 0.00 -0.13 0.00 0.00 59.36 58.78 2dxc h GLU 120 Cb 1.25 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.56 2dxc h GLU 120 CO 0.56 0.19 0.22 0.07 -0.73 0.00 0.00 179.01 179.32 2dxc h ARG 121 N 0.30 0.00 -0.01 1.92 0.11 -1.91 -1.38 114.38 113.41 2dxc h ARG 121 Ca 0.62 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.70 2dxc h ARG 121 Cb 1.76 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.84 2dxc h ARG 121 CO -0.28 0.00 -0.14 0.66 0.10 0.00 0.00 179.97 180.31 2dxc n TYR 122 N -3.74 0.00 -4.01 4.08 4.01 -0.82 -4.91 117.16 111.77 2dxc n TYR 122 Ca 0.02 0.00 -0.33 0.00 -0.16 0.00 0.00 57.90 57.43 2dxc n TYR 122 Cb 0.34 -0.05 -0.06 0.00 -0.31 0.00 0.00 39.34 39.25 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 -2.24 4.10 -0.08 7.72 1.43 -0.52 0.24 118.68 129.32 2dxc s LEU 123 Ca 0.30 0.23 -0.09 0.00 -1.03 0.00 0.00 54.13 53.53 2dxc s LEU 123 Cb 0.20 -2.43 0.02 0.00 0.03 0.00 0.00 46.19 44.02 2dxc s LEU 123 CO 0.43 0.26 0.25 -1.83 0.23 0.00 0.00 176.35 175.69 2dxc s GLU 124 N -1.85 0.36 0.14 1.70 -1.05 -1.02 -4.93 118.70 112.04 2dxc s GLU 124 Ca 0.25 0.23 -0.34 0.00 -0.15 0.00 0.00 54.97 54.95 2dxc s GLU 124 Cb -0.12 0.17 -0.16 0.00 -0.44 0.00 0.00 34.13 33.58 2dxc s GLU 124 CO 0.16 -0.06 1.28 0.36 0.95 0.00 0.00 175.26 177.95 2dxc n LYS 125 N 2.62 1.28 0.00 -4.83 2.85 -1.26 -0.85 118.16 117.96 2dxc n LYS 125 Ca -0.15 0.46 0.07 0.00 -1.05 0.00 0.00 58.31 57.64 2dxc n LYS 125 Cb 0.58 -2.05 0.39 0.00 -0.65 0.00 0.00 35.03 33.30 2dxc n LYS 125 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35