#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lxc n PHE 3 N 0.00 0.00 -0.34 1.61 1.16 -1.19 -1.75 117.46 116.96 1lxc n PHE 3 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.58 1lxc n PHE 3 Cb 0.00 -0.02 0.00 0.00 -1.61 0.00 0.00 39.48 37.85 1lxc n PHE 3 CO 0.00 0.00 0.00 1.28 -1.87 0.00 0.00 176.76 176.17 1lxc n LEU 4 N -0.08 0.62 -4.67 5.98 4.77 -0.79 -4.52 117.00 118.31 1lxc n LEU 4 Ca 0.00 -0.63 -0.47 0.00 -0.03 0.00 0.00 56.01 54.88 1lxc n LEU 4 Cb 0.06 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.10 1lxc n LEU 4 CO 0.00 0.15 1.27 -1.20 -1.33 0.00 0.00 177.39 176.28 1lxc n SER 5 N -0.03 3.17 0.00 -1.43 7.64 -0.72 -1.42 113.62 120.84 1lxc n SER 5 Ca 0.00 1.05 0.00 0.00 1.01 0.00 0.00 58.87 60.93 1lxc n SER 5 Cb 0.08 -1.41 0.00 0.00 -1.01 0.00 0.00 64.21 61.87 1lxc n SER 5 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1lxc n GLY 6 N 3.66 0.41 3.71 0.23 0.00 -1.24 -5.01 105.19 106.94 1lxc n GLY 6 Ca 0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 1lxc n GLY 6 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1lxc s LYS 7 N -0.96 3.97 -0.40 1.61 -0.14 -0.50 -5.01 119.74 118.31 1lxc s LYS 7 Ca 0.00 -0.26 -0.09 0.00 -1.36 0.00 0.00 55.97 54.26 1lxc s LYS 7 Cb 0.00 -3.29 0.06 0.00 -1.68 0.00 0.00 37.83 32.92 1lxc s LYS 7 CO 0.00 0.36 0.23 1.03 -0.76 0.00 0.00 175.35 176.21 1lxc s ARG 8 N 0.14 2.65 -0.07 1.68 0.52 -1.26 -0.78 118.95 121.84 1lxc s ARG 8 Ca 0.07 -1.34 0.03 0.00 -0.52 0.00 0.00 55.73 53.97 1lxc s ARG 8 Cb -0.12 -3.73 -0.02 0.00 0.52 0.00 0.00 34.95 31.60 1lxc s ARG 8 CO -0.00 -0.86 -0.16 0.42 0.02 0.00 0.00 175.30 174.72 1lxc s ILE 9 N 1.45 2.92 -0.13 1.52 -1.09 -0.57 0.21 121.20 125.50 1lxc s ILE 9 Ca 0.02 -0.76 -0.15 0.00 -2.23 0.00 0.00 60.65 57.53 1lxc s ILE 9 Cb -0.22 -2.15 -0.05 0.00 -1.58 0.00 0.00 42.46 38.47 1lxc s ILE 9 CO 0.03 0.57 0.34 -0.22 -1.23 0.00 0.00 174.94 174.44 1lxc s LEU 10 N -0.45 4.28 -0.23 2.97 2.96 -0.53 -2.31 118.68 125.36 1lxc s LEU 10 Ca 0.05 0.62 0.01 0.00 -0.22 0.00 0.00 54.13 54.59 1lxc s LEU 10 Cb -0.12 -2.46 0.04 0.00 0.50 0.00 0.00 46.19 44.14 1lxc s LEU 10 CO 0.02 0.10 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.34 1lxc s VAL 11 N 0.33 2.34 0.37 1.68 1.01 -0.31 0.77 120.40 126.60 1lxc s VAL 11 Ca 0.19 -1.23 0.05 0.00 0.00 0.00 0.00 61.98 61.00 1lxc s VAL 11 Cb -0.14 -2.19 -0.00 0.00 0.00 0.00 0.00 36.38 34.04 1lxc s VAL 11 CO 0.06 0.23 0.53 0.42 0.00 0.00 0.00 175.10 176.34 1lxc s THR 12 N 1.23 3.91 -0.06 3.92 -4.23 -0.87 -3.23 115.64 116.32 1lxc s THR 12 Ca -0.02 -0.89 0.00 0.00 -1.18 0.00 0.00 61.69 59.61 1lxc s THR 12 Cb -0.17 -3.37 0.00 0.00 1.34 0.00 0.00 72.50 70.30 1lxc s THR 12 CO -0.08 -0.17 0.00 0.61 -0.54 0.00 0.00 174.62 174.44 1lxc n GLY 13 N -1.77 0.48 3.69 3.99 0.00 -1.26 -4.13 105.19 106.19 1lxc n GLY 13 Ca 0.01 -0.33 -0.42 0.00 0.00 0.00 0.00 46.02 45.28 1lxc n GLY 13 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1lxc s VAL 14 N -1.97 4.38 0.00 1.61 1.01 -1.26 -4.52 120.40 119.65 1lxc s VAL 14 Ca 0.00 1.69 0.00 0.00 0.00 0.00 0.00 61.98 63.67 1lxc s VAL 14 Cb 0.00 -4.09 0.00 0.00 0.00 0.00 0.00 36.38 32.29 1lxc s VAL 14 CO 0.00 0.03 0.00 0.00 0.00 0.00 0.00 175.10 175.13 1lxc n ALA 15 N 4.82 1.61 -3.69 5.51 0.00 -1.26 -4.85 120.51 122.66 1lxc n ALA 15 Ca 0.10 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.52 1lxc n ALA 15 Cb 0.47 0.14 -0.01 0.00 0.00 0.00 0.00 19.45 20.05 1lxc n ALA 15 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1lxc s SER 16 N -2.18 -0.14 0.39 0.00 1.04 -1.26 -4.95 113.70 106.60 1lxc s SER 16 Ca 0.00 -0.27 0.19 0.00 0.48 0.00 0.00 55.95 56.35 1lxc s SER 16 Cb 0.00 0.34 1.02 0.00 0.10 0.00 0.00 66.02 67.49 1lxc s SER 16 CO 0.00 -0.63 1.52 0.07 0.98 0.00 0.00 173.24 175.17 1lxc h LYS 17 N 2.00 0.00 0.00 4.02 5.09 -2.00 0.25 116.57 125.94 1lxc h LYS 17 Ca -0.26 0.00 -0.13 0.00 0.09 0.00 0.00 60.65 60.35 1lxc h LYS 17 Cb 1.22 0.00 -0.02 0.00 0.10 0.00 0.00 32.23 33.53 1lxc h LYS 17 CO 0.27 0.00 -1.36 1.28 -2.09 0.00 0.00 179.45 177.55 1lxc n LEU 18 N -2.26 0.81 -4.47 7.07 4.77 -1.26 -4.80 117.00 116.85 1lxc n LEU 18 Ca -0.01 0.34 -0.41 0.00 -0.03 0.00 0.00 56.01 55.90 1lxc n LEU 18 Cb 0.25 0.05 0.01 0.00 -2.33 0.00 0.00 43.42 41.40 1lxc n LEU 18 CO 0.08 0.07 0.13 -1.20 -1.33 0.00 0.00 177.39 175.14 1lxc n SER 19 N -2.81 -0.63 -0.06 -1.43 7.64 0.89 -4.85 113.62 112.37 1lxc n SER 19 Ca -0.08 0.91 -0.14 0.00 1.01 0.00 0.00 58.87 60.57 1lxc n SER 19 Cb 0.77 -1.15 -0.07 0.00 -1.01 0.00 0.00 64.21 62.75 1lxc n SER 19 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 1lxc h ILE 20 N 0.83 1.34 -0.19 0.44 2.04 -1.87 -2.59 117.51 117.52 1lxc h ILE 20 Ca -0.41 -1.49 0.05 0.00 1.00 0.00 0.00 64.86 64.01 1lxc h ILE 20 Cb 1.39 1.88 -0.01 0.00 -0.74 0.00 0.00 36.82 39.35 1lxc h ILE 20 CO 0.52 0.45 0.18 0.00 0.00 0.00 0.00 178.15 179.30 1lxc h ALA 21 N 0.60 1.89 -0.04 1.87 0.00 -1.86 -0.17 119.26 121.55 1lxc h ALA 21 Ca 0.02 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1lxc h ALA 21 Cb 0.85 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.66 1lxc h ALA 21 CO 0.06 -0.27 -0.05 -0.92 0.00 0.00 0.00 179.25 178.07 1lxc h TYR 22 N 0.00 0.13 -0.17 0.00 3.20 -1.76 0.11 116.97 118.48 1lxc h TYR 22 Ca 0.09 -0.04 -0.01 0.00 3.14 0.00 0.00 58.73 61.91 1lxc h TYR 22 Cb 0.45 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.68 1lxc h TYR 22 CO 0.00 0.59 0.07 0.78 -1.64 0.00 0.00 178.16 177.95 1lxc h GLY 23 N -0.37 0.24 0.79 1.82 0.00 -0.77 -2.23 103.07 102.55 1lxc h GLY 23 Ca 0.01 -0.10 -0.11 0.00 0.00 0.00 0.00 47.33 47.12 1lxc h GLY 23 CO 0.01 0.10 -0.37 -2.22 0.00 0.00 0.00 176.54 174.06 1lxc h ILE 24 N 0.23 1.38 -0.49 2.60 2.04 -0.93 -2.92 117.51 119.43 1lxc h ILE 24 Ca 0.06 -1.70 0.03 0.00 1.00 0.00 0.00 64.86 64.26 1lxc h ILE 24 Cb 0.05 2.17 -0.04 0.00 -0.74 0.00 0.00 36.82 38.26 1lxc h ILE 24 CO -0.01 0.50 0.26 0.00 0.00 0.00 0.00 178.15 178.91 1lxc h ALA 25 N 0.49 0.62 0.13 1.87 0.00 -0.22 -0.99 119.26 121.16 1lxc h ALA 25 Ca -0.02 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1lxc h ALA 25 Cb 1.00 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1lxc h ALA 25 CO 0.08 -0.07 -0.06 1.96 0.00 0.00 0.00 179.25 181.16 1lxc h GLN 26 N 0.52 -0.17 -0.64 0.00 4.20 -1.49 0.92 115.11 118.45 1lxc h GLN 26 Ca 0.21 0.01 0.08 0.00 0.06 0.00 0.00 58.65 59.01 1lxc h GLN 26 Cb 0.08 0.04 -0.06 0.00 0.30 0.00 0.00 27.48 27.84 1lxc h GLN 26 CO -0.12 -0.06 0.31 0.00 -0.67 0.00 0.00 178.83 178.29 1lxc h ALA 27 N 0.62 0.85 -0.40 3.87 0.00 -1.33 0.56 119.26 123.43 1lxc h ALA 27 Ca -0.02 0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 1lxc h ALA 27 Cb 0.19 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1lxc h ALA 27 CO 0.03 -0.07 -0.08 0.52 0.00 0.00 0.00 179.25 179.65 1lxc h MET 28 N 0.55 0.69 -0.03 0.00 2.86 -0.94 -2.01 114.93 116.05 1lxc h MET 28 Ca 0.31 -0.21 -0.01 0.00 -2.06 0.00 0.00 59.70 57.74 1lxc h MET 28 Cb 0.29 -0.07 -0.00 0.00 0.06 0.00 0.00 31.60 31.88 1lxc h MET 28 CO -0.24 0.76 -0.00 1.25 1.06 0.00 0.00 176.91 179.74 1lxc h HIS 29 N 0.64 0.06 -0.90 -0.22 6.17 0.77 -0.42 115.15 121.25 1lxc h HIS 29 Ca 0.12 -0.01 0.16 0.00 0.71 0.00 0.00 60.37 61.34 1lxc h HIS 29 Cb 0.51 -0.02 -0.10 0.00 2.52 0.00 0.00 27.41 30.33 1lxc h HIS 29 CO 0.02 0.37 0.49 -0.09 0.71 0.00 0.00 177.93 179.43 1lxc h ARG 30 N -0.26 0.65 0.00 5.26 2.43 0.26 0.21 114.38 122.92 1lxc h ARG 30 Ca 0.01 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1lxc h ARG 30 Cb 0.35 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.75 1lxc h ARG 30 CO 0.00 0.43 0.00 0.39 -1.51 0.00 0.00 179.97 179.28 1lxc n GLU 31 N -4.84 0.93 -1.00 0.20 -0.58 -0.77 -4.70 120.64 109.87 1lxc n GLU 31 Ca 0.19 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.93 1lxc n GLU 31 Cb 0.47 -1.27 0.00 0.00 -0.57 0.00 0.00 31.44 30.08 1lxc n GLU 31 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1lxc n GLY 32 N 0.65 1.04 3.89 0.62 0.00 0.73 -1.88 105.19 110.25 1lxc n GLY 32 Ca 0.12 -0.50 -0.30 0.00 0.00 0.00 0.00 46.02 45.33 1lxc n GLY 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lxc s ALA 33 N -2.00 3.59 -0.26 4.61 0.00 -0.19 -3.06 121.76 124.46 1lxc s ALA 33 Ca 0.00 -0.42 -0.11 0.00 0.00 0.00 0.00 51.96 51.43 1lxc s ALA 33 Cb 0.00 -2.37 -0.05 0.00 0.00 0.00 0.00 23.12 20.70 1lxc s ALA 33 CO 0.00 0.36 0.20 -1.21 0.00 0.00 0.00 175.76 175.10 1lxc s GLU 34 N -3.23 4.02 0.18 0.00 2.02 0.04 -4.59 118.70 117.14 1lxc s GLU 34 Ca 0.46 -0.25 0.07 0.00 0.02 0.00 0.00 54.97 55.27 1lxc s GLU 34 Cb -0.11 -3.60 -0.04 0.00 0.10 0.00 0.00 34.13 30.48 1lxc s GLU 34 CO 0.26 -0.06 0.05 -0.51 0.02 0.00 0.00 175.26 175.01 1lxc s LEU 35 N 1.42 3.46 0.06 1.80 1.43 -1.26 -1.51 118.68 124.08 1lxc s LEU 35 Ca 0.08 -0.34 0.06 0.00 -1.03 0.00 0.00 54.13 52.91 1lxc s LEU 35 Cb -0.15 -2.09 -0.03 0.00 0.03 0.00 0.00 46.19 43.96 1lxc s LEU 35 CO 0.08 0.07 -0.17 0.00 0.23 0.00 0.00 176.35 176.56 1lxc s ALA 36 N -1.80 1.44 0.10 4.21 0.00 -0.98 -4.68 121.76 120.06 1lxc s ALA 36 Ca 0.29 -1.00 0.07 0.00 0.00 0.00 0.00 51.96 51.31 1lxc s ALA 36 Cb -0.09 -0.21 -0.03 0.00 0.00 0.00 0.00 23.12 22.78 1lxc s ALA 36 CO 0.20 0.28 -0.17 -0.06 0.00 0.00 0.00 175.76 176.01 1lxc s PHE 37 N -0.99 1.51 0.31 0.00 0.40 0.12 -1.16 117.98 118.17 1lxc s PHE 37 Ca 0.03 -0.46 0.11 0.00 -0.60 0.00 0.00 56.93 56.00 1lxc s PHE 37 Cb -0.09 -0.82 -0.06 0.00 0.51 0.00 0.00 43.02 42.56 1lxc s PHE 37 CO 0.02 0.15 -0.13 0.95 0.70 0.00 0.00 175.22 176.91 1lxc s THR 38 N -1.45 2.41 -0.06 0.64 -4.23 -1.20 0.52 115.64 112.27 1lxc s THR 38 Ca 0.04 -2.27 -0.09 0.00 -1.18 0.00 0.00 61.69 58.20 1lxc s THR 38 Cb -0.09 -2.52 0.02 0.00 1.34 0.00 0.00 72.50 71.25 1lxc s THR 38 CO 0.03 -0.29 0.23 -0.72 -0.54 0.00 0.00 174.62 173.33 1lxc s TYR 39 N -2.55 -0.19 0.04 3.99 1.13 -0.43 -4.55 117.35 114.78 1lxc s TYR 39 Ca 0.32 0.42 -0.19 0.00 -1.41 0.00 0.00 57.07 56.21 1lxc s TYR 39 Cb -0.01 0.06 -0.16 0.00 -1.10 0.00 0.00 41.96 40.75 1lxc s TYR 39 CO 0.16 -0.20 1.27 0.37 -2.51 0.00 0.00 175.55 174.64 1lxc h GLN 40 N 5.17 0.43 0.00 -3.49 4.15 -1.89 -0.75 115.11 118.73 1lxc h GLN 40 Ca -0.27 -0.30 -0.03 0.00 0.77 0.00 0.00 58.65 58.82 1lxc h GLN 40 Cb 1.19 0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.92 1lxc h GLN 40 CO 0.37 0.91 -0.01 0.27 -1.93 0.00 0.00 178.83 178.44 1lxc n ASN 41 N -4.39 -0.15 0.23 -0.69 0.23 -1.26 -4.47 115.26 104.76 1lxc n ASN 41 Ca -0.07 -1.19 0.07 0.00 -0.53 0.00 0.00 54.58 52.86 1lxc n ASN 41 Cb 0.48 0.27 0.54 0.00 -2.08 0.00 0.00 39.78 39.00 1lxc n ASN 41 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 1lxc h ASP 42 N 0.20 0.00 0.13 0.53 3.32 -2.01 -2.40 116.42 116.18 1lxc h ASP 42 Ca -0.03 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.93 1lxc h ASP 42 Cb 0.12 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 1lxc h ASP 42 CO 0.04 0.19 -0.31 0.50 -1.72 0.00 0.00 179.24 177.94 1lxc h LYS 43 N 0.00 0.28 0.00 3.56 3.64 -2.02 -3.32 116.57 118.71 1lxc h LYS 43 Ca -0.00 -0.11 -0.15 0.00 -1.27 0.00 0.00 60.65 59.11 1lxc h LYS 43 Cb 0.37 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.14 1lxc h LYS 43 CO 0.02 0.57 -2.10 1.28 -2.27 0.00 0.00 179.45 176.95 1lxc n LEU 44 N -4.11 0.07 -0.33 5.20 4.32 -1.03 -4.57 117.00 116.55 1lxc n LEU 44 Ca -0.01 0.03 0.12 0.00 -0.02 0.00 0.00 56.01 56.12 1lxc n LEU 44 Cb 0.41 0.20 0.25 0.00 -1.62 0.00 0.00 43.42 42.66 1lxc n LEU 44 CO 0.41 0.20 0.79 0.50 -1.22 0.00 0.00 177.39 178.07 1lxc h LYS 45 N 0.00 0.03 0.22 3.23 3.64 -1.54 -1.18 116.57 120.96 1lxc h LYS 45 Ca -0.22 -0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.16 1lxc h LYS 45 Cb 1.52 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 33.30 1lxc h LYS 45 CO 0.01 0.02 -0.36 0.78 -2.27 0.00 0.00 179.45 177.63 1lxc h GLY 46 N 0.03 -0.76 1.63 5.01 0.00 -1.80 -1.59 103.07 105.59 1lxc h GLY 46 Ca 0.55 0.42 -0.03 0.00 0.00 0.00 0.00 47.33 48.28 1lxc h GLY 46 CO -0.89 -0.27 0.09 -0.09 0.00 0.00 0.00 176.54 175.37 1lxc h ARG 47 N -0.65 0.47 -0.30 4.80 9.65 -1.54 -2.42 114.38 124.38 1lxc h ARG 47 Ca 0.01 -0.07 -0.17 0.00 -1.10 0.00 0.00 59.98 58.65 1lxc h ARG 47 Cb 0.64 -0.09 -0.00 0.00 -1.39 0.00 0.00 29.97 29.13 1lxc h ARG 47 CO -0.15 0.43 -0.48 0.28 2.80 0.00 0.00 179.97 182.85 1lxc h VAL 48 N 0.47 1.28 -0.51 0.20 2.07 -0.98 -2.38 116.25 116.40 1lxc h VAL 48 Ca 0.11 -1.67 -0.11 0.00 0.82 0.00 0.00 66.70 65.85 1lxc h VAL 48 Cb 0.17 1.55 -0.02 0.00 -1.52 0.00 0.00 31.29 31.47 1lxc h VAL 48 CO -0.01 0.54 -0.13 -0.33 0.02 0.00 0.00 177.57 177.66 1lxc h GLU 49 N 0.65 0.97 -0.04 1.57 5.08 -1.08 -0.81 114.58 120.93 1lxc h GLU 49 Ca 0.03 -0.36 0.00 0.00 -1.00 0.00 0.00 59.36 58.03 1lxc h GLU 49 Cb 1.07 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 30.25 1lxc h GLU 49 CO 0.11 1.03 0.02 1.49 -1.00 0.00 0.00 179.01 180.66 1lxc h GLU 50 N 0.86 0.04 -0.48 2.33 4.81 -1.38 -0.24 114.58 120.52 1lxc h GLU 50 Ca 0.13 -0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.31 1lxc h GLU 50 Cb 0.69 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.04 1lxc h GLU 50 CO 0.05 0.03 0.11 0.74 -0.73 0.00 0.00 179.01 179.20 1lxc h PHE 51 N 0.04 0.81 -0.49 0.92 0.04 -1.32 -2.61 116.94 114.33 1lxc h PHE 51 Ca 0.02 -0.10 0.05 0.00 2.80 0.00 0.00 57.97 60.73 1lxc h PHE 51 Cb 0.00 -0.23 -0.04 0.00 2.20 0.00 0.00 35.95 37.88 1lxc h PHE 51 CO -0.08 0.74 0.24 0.00 -0.60 0.00 0.00 178.31 178.60 1lxc h ALA 52 N 0.98 0.62 -0.57 2.45 0.00 -0.94 -1.66 119.26 120.14 1lxc h ALA 52 Ca 0.15 0.03 0.09 0.00 0.00 0.00 0.00 54.91 55.17 1lxc h ALA 52 Cb 0.34 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.01 1lxc h ALA 52 CO 0.00 -0.12 0.20 0.00 0.00 0.00 0.00 179.25 179.34 1lxc h ALA 53 N 1.27 0.71 -0.66 0.00 0.00 -0.80 -0.47 119.26 119.31 1lxc h ALA 53 Ca 0.22 0.08 0.05 0.00 0.00 0.00 0.00 54.91 55.26 1lxc h ALA 53 Cb 0.14 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 1lxc h ALA 53 CO -0.16 -0.21 0.43 1.96 0.00 0.00 0.00 179.25 181.27 1lxc h GLN 54 N 0.37 0.71 -0.90 0.00 4.20 -0.95 -1.79 115.11 116.74 1lxc h GLN 54 Ca 0.28 -0.04 -0.22 0.00 0.06 0.00 0.00 58.65 58.73 1lxc h GLN 54 Cb 0.34 -0.16 -0.13 0.00 0.30 0.00 0.00 27.48 27.83 1lxc h GLN 54 CO -0.29 0.47 0.28 1.28 -0.67 0.00 0.00 178.83 179.89 1lxc n LEU 55 N -4.47 4.99 -0.30 1.46 7.99 -0.32 -4.90 117.00 121.45 1lxc n LEU 55 Ca 0.09 -2.61 -0.04 0.00 -0.01 0.00 0.00 56.01 53.44 1lxc n LEU 55 Cb 0.17 -0.69 -0.02 0.00 -0.11 0.00 0.00 43.42 42.78 1lxc n LEU 55 CO 0.34 0.73 -0.04 0.61 -1.51 0.00 0.00 177.39 177.53 1lxc n GLY 56 N -0.23 0.55 3.62 -0.72 0.00 -0.67 -4.84 105.19 102.90 1lxc n GLY 56 Ca 0.32 -0.13 -0.28 0.00 0.00 0.00 0.00 46.02 45.94 1lxc n GLY 56 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1lxc s SER 57 N -2.26 4.55 -0.01 1.61 0.15 -0.40 -4.98 113.70 112.37 1lxc s SER 57 Ca 0.00 -0.43 0.25 0.00 0.70 0.00 0.00 55.95 56.47 1lxc s SER 57 Cb 0.00 -0.90 0.43 0.00 -1.71 0.00 0.00 66.02 63.83 1lxc s SER 57 CO 0.00 0.12 1.17 -0.90 1.20 0.00 0.00 173.24 174.83 1lxc n ASP 58 N 0.15 1.01 -4.12 5.45 5.75 -1.26 -2.90 116.55 120.63 1lxc n ASP 58 Ca -0.11 -2.05 -0.37 0.00 -0.01 0.00 0.00 54.79 52.25 1lxc n ASP 58 Cb 0.54 -0.30 -0.08 0.00 -1.03 0.00 0.00 41.12 40.25 1lxc n ASP 58 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1lxc s ILE 59 N -0.08 4.08 -0.36 2.12 1.01 -1.26 -5.02 121.20 121.69 1lxc s ILE 59 Ca 0.34 -3.25 -0.01 0.00 0.00 0.00 0.00 60.65 57.73 1lxc s ILE 59 Cb 0.39 -3.60 0.09 0.00 0.01 0.00 0.00 42.46 39.34 1lxc s ILE 59 CO -0.17 -0.96 0.11 -0.69 0.00 0.00 0.00 174.94 173.23 1lxc s VAL 60 N -0.51 3.01 -0.01 2.92 1.01 -1.26 0.15 120.40 125.72 1lxc s VAL 60 Ca 0.21 -1.86 0.01 0.00 0.00 0.00 0.00 61.98 60.33 1lxc s VAL 60 Cb -0.15 -2.97 -0.04 0.00 0.00 0.00 0.00 36.38 33.22 1lxc s VAL 60 CO -0.07 -0.47 0.00 -0.76 0.00 0.00 0.00 175.10 173.81 1lxc s LEU 61 N 1.14 3.52 0.32 3.92 1.43 0.18 -4.97 118.68 124.23 1lxc s LEU 61 Ca 0.04 0.01 -0.24 0.00 -1.03 0.00 0.00 54.13 52.90 1lxc s LEU 61 Cb -0.21 -2.00 -0.10 0.00 0.03 0.00 0.00 46.19 43.91 1lxc s LEU 61 CO -0.04 0.29 0.91 -1.58 0.23 0.00 0.00 176.35 176.16 1lxc s GLN 62 N -1.50 4.49 -0.29 1.70 -0.44 -1.26 -1.31 119.66 121.04 1lxc s GLN 62 Ca 0.19 1.23 -0.15 0.00 -2.50 0.00 0.00 55.36 54.12 1lxc s GLN 62 Cb -0.11 -2.74 0.14 0.00 -1.64 0.00 0.00 33.01 28.66 1lxc s GLN 62 CO 0.10 0.26 0.93 0.00 0.50 0.00 0.00 175.29 177.07 1lxc s ASP 64 N 1.75 4.95 0.00 0.00 -1.08 -1.26 -4.04 116.67 116.99 1lxc s ASP 64 Ca -0.07 -2.16 0.00 0.00 -0.52 0.00 0.00 52.55 49.79 1lxc s ASP 64 Cb -0.05 -1.71 0.00 0.00 -1.46 0.00 0.00 42.92 39.70 1lxc s ASP 64 CO -0.16 -0.44 0.73 1.33 0.52 0.00 0.00 175.17 177.15 1lxc n VAL 65 N 4.32 1.05 0.56 1.11 0.24 -1.26 -0.36 118.33 123.99 1lxc n VAL 65 Ca 0.02 0.35 0.13 0.00 -2.04 0.00 0.00 64.34 62.79 1lxc n VAL 65 Cb 0.41 -1.35 0.44 0.00 -1.47 0.00 0.00 33.84 31.87 1lxc n VAL 65 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1lxc n ALA 66 N -1.23 2.08 -3.50 2.33 0.00 -1.26 -4.70 120.51 114.23 1lxc n ALA 66 Ca 0.00 0.01 -0.28 0.00 0.00 0.00 0.00 53.44 53.17 1lxc n ALA 66 Cb 0.09 -1.44 -0.17 0.00 0.00 0.00 0.00 19.45 17.93 1lxc n ALA 66 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1lxc s GLU 67 N -3.17 2.16 0.26 0.00 0.41 0.51 -5.02 118.70 113.85 1lxc s GLU 67 Ca 0.09 -0.56 -0.04 0.00 -0.41 0.00 0.00 54.97 54.05 1lxc s GLU 67 Cb 0.11 -1.77 0.32 0.00 -1.78 0.00 0.00 34.13 31.01 1lxc s GLU 67 CO 0.53 0.01 1.82 -0.44 -0.49 0.00 0.00 175.26 176.69 1lxc h ASP 68 N 7.13 0.91 -0.68 -0.19 3.32 -1.84 -2.61 116.42 122.46 1lxc h ASP 68 Ca -0.29 -0.14 -0.03 0.00 0.02 0.00 0.00 57.03 56.59 1lxc h ASP 68 Cb 1.19 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 40.47 1lxc h ASP 68 CO 0.48 0.83 0.31 0.00 -1.72 0.00 0.00 179.24 179.14 1lxc h ALA 69 N 1.29 0.88 -0.59 3.45 0.00 -1.95 -0.84 119.26 121.50 1lxc h ALA 69 Ca 0.22 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1lxc h ALA 69 Cb 0.23 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 1lxc h ALA 69 CO -0.01 0.46 0.30 1.03 0.00 0.00 0.00 179.25 181.02 1lxc h SER 70 N 0.95 0.74 -0.18 0.00 0.87 -1.75 -0.28 113.55 113.90 1lxc h SER 70 Ca 0.23 -0.07 -0.10 0.00 -1.23 0.00 0.00 61.79 60.62 1lxc h SER 70 Cb 0.15 -0.19 -0.00 0.00 -0.44 0.00 0.00 62.40 61.92 1lxc h SER 70 CO -0.03 0.62 -0.29 0.40 -0.53 0.00 0.00 176.83 177.01 1lxc h ILE 71 N 0.83 1.34 -0.53 2.23 2.04 -1.07 -1.41 117.51 120.94 1lxc h ILE 71 Ca 0.21 -1.51 -0.04 0.00 1.00 0.00 0.00 64.86 64.52 1lxc h ILE 71 Cb 0.07 1.88 -0.02 0.00 -0.74 0.00 0.00 36.82 38.00 1lxc h ILE 71 CO -0.03 0.46 0.16 0.44 0.00 0.00 0.00 178.15 179.18 1lxc h ASP 72 N 0.17 0.77 -0.26 1.72 3.32 -0.88 -1.54 116.42 119.72 1lxc h ASP 72 Ca 0.02 -0.21 -0.01 0.00 0.02 0.00 0.00 57.03 56.84 1lxc h ASP 72 Cb 0.87 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 40.20 1lxc h ASP 72 CO 0.07 0.78 0.12 0.74 -1.72 0.00 0.00 179.24 179.23 1lxc h THR 73 N 0.73 1.15 -0.46 0.35 2.02 -1.07 -0.10 112.91 115.53 1lxc h THR 73 Ca 0.17 -0.43 0.02 0.00 0.77 0.00 0.00 66.41 66.94 1lxc h THR 73 Cb 0.29 0.95 -0.03 0.00 -1.74 0.00 0.00 68.15 67.62 1lxc h THR 73 CO -0.00 0.15 0.28 -0.03 0.37 0.00 0.00 175.52 176.28 1lxc h MET 74 N 0.28 0.54 0.00 6.66 1.85 -1.09 -0.58 114.93 122.59 1lxc h MET 74 Ca 0.09 -0.03 -0.00 0.00 -0.61 0.00 0.00 59.70 59.14 1lxc h MET 74 Cb 0.12 -0.12 -0.00 0.00 0.43 0.00 0.00 31.60 32.03 1lxc h MET 74 CO -0.01 0.36 -0.02 0.74 -0.40 0.00 0.00 176.91 177.58 1lxc h PHE 75 N 0.56 0.00 -0.11 1.39 0.04 -1.11 -0.56 116.94 117.14 1lxc h PHE 75 Ca 0.18 0.00 -0.17 0.00 2.80 0.00 0.00 57.97 60.78 1lxc h PHE 75 Cb -0.00 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.16 1lxc h PHE 75 CO -0.06 0.02 -0.60 0.00 -0.60 0.00 0.00 178.31 177.06 1lxc h ALA 76 N 1.98 0.22 -0.47 2.45 0.00 0.15 -2.08 119.26 121.51 1lxc h ALA 76 Ca -0.00 -0.54 -0.12 0.00 0.00 0.00 0.00 54.91 54.25 1lxc h ALA 76 Cb 0.56 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1lxc h ALA 76 CO 0.00 0.47 -0.17 0.93 0.00 0.00 0.00 179.25 180.48 1lxc h GLU 77 N 0.23 0.95 -0.10 0.00 4.39 -0.75 -2.55 114.58 116.75 1lxc h GLU 77 Ca -0.04 -0.39 -0.01 0.00 0.34 0.00 0.00 59.36 59.25 1lxc h GLU 77 Cb 1.24 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.85 1lxc h GLU 77 CO 0.12 1.05 -0.01 1.25 -1.16 0.00 0.00 179.01 180.27 1lxc h LEU 78 N 0.79 0.12 -1.51 1.33 5.85 -1.10 -2.26 115.31 118.53 1lxc h LEU 78 Ca 0.11 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.79 1lxc h LEU 78 Cb 0.74 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.73 1lxc h LEU 78 CO 0.06 0.16 -0.01 1.23 -0.34 0.00 0.00 178.44 179.54 1lxc h GLY 79 N 0.32 0.33 1.46 3.75 0.00 -0.93 0.46 103.07 108.46 1lxc h GLY 79 Ca 0.03 -0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.20 1lxc h GLY 79 CO 0.00 0.16 0.35 0.50 0.00 0.00 0.00 176.54 177.56 1lxc h LYS 80 N 0.30 0.72 0.00 4.80 1.57 -1.40 -2.77 116.57 119.79 1lxc h LYS 80 Ca 0.07 -0.05 -0.31 0.00 -1.87 0.00 0.00 60.65 58.49 1lxc h LYS 80 Cb 0.22 -0.16 -0.06 0.00 0.08 0.00 0.00 32.23 32.31 1lxc h LYS 80 CO 0.01 0.49 -2.18 1.55 -0.57 0.00 0.00 179.45 178.74 1lxc n VAL 81 N -4.45 1.18 -3.71 0.50 3.14 -1.00 -4.76 118.33 109.24 1lxc n VAL 81 Ca 0.05 -0.66 -0.28 0.00 -2.96 0.00 0.00 64.34 60.50 1lxc n VAL 81 Cb 0.05 -0.73 -0.11 0.00 -1.06 0.00 0.00 33.84 31.99 1lxc n VAL 81 CO 0.00 0.00 0.00 0.79 -6.46 0.00 0.00 176.83 171.16 1lxc n TRP 82 N -2.76 2.53 -0.35 1.45 7.02 0.16 -4.94 117.44 120.55 1lxc n TRP 82 Ca -0.30 -4.10 0.25 0.00 -1.02 0.00 0.00 57.50 52.33 1lxc n TRP 82 Cb 1.01 -0.47 0.50 0.00 -2.42 0.00 0.00 31.31 29.94 1lxc n TRP 82 CO 0.00 0.00 0.00 -1.35 -2.02 0.00 0.00 177.69 174.32 1lxc h PRO 83 N 5.15 0.33 -3.99 -0.99 0.11 -1.69 -3.38 132.00 127.54 1lxc h PRO 83 Ca 0.17 -0.02 -0.14 0.00 0.11 0.00 0.00 66.00 66.13 1lxc h PRO 83 Cb 0.77 -0.07 -0.18 0.00 0.11 0.00 0.00 31.00 31.62 1lxc h PRO 83 CO 0.67 0.22 -0.62 0.15 -0.21 0.00 0.00 178.00 178.21 1lxc s LYS 84 N -5.57 0.51 0.01 1.05 1.02 -1.26 -4.72 119.74 110.79 1lxc s LYS 84 Ca -0.09 -0.85 -0.00 0.00 0.02 0.00 0.00 55.97 55.04 1lxc s LYS 84 Cb 0.28 0.19 0.00 0.00 -0.52 0.00 0.00 37.83 37.78 1lxc s LYS 84 CO 0.80 -0.11 0.02 1.97 -0.92 0.00 0.00 175.35 177.11 1lxc n PHE 85 N 0.81 -0.45 -1.52 3.18 -1.74 -0.75 -4.98 117.46 112.00 1lxc n PHE 85 Ca -0.19 -0.09 0.03 0.00 -0.56 0.00 0.00 57.45 56.64 1lxc n PHE 85 Cb 0.58 0.02 0.20 0.00 1.52 0.00 0.00 39.48 41.81 1lxc n PHE 85 CO 0.00 0.00 0.00 -0.25 -0.56 0.00 0.00 176.76 175.95 1lxc n ASP 86 N -2.15 2.00 0.00 5.98 8.00 0.13 -1.57 116.55 128.95 1lxc n ASP 86 Ca 0.00 -3.81 0.00 0.00 0.71 0.00 0.00 54.79 51.69 1lxc n ASP 86 Cb 0.02 -0.56 0.00 0.00 -0.02 0.00 0.00 41.12 40.57 1lxc n ASP 86 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1lxc n GLY 87 N -1.13 0.88 3.37 0.44 0.00 -1.25 -1.97 105.19 105.53 1lxc n GLY 87 Ca 0.23 -2.31 -0.13 0.00 0.00 0.00 0.00 46.02 43.81 1lxc n GLY 87 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1lxc s PHE 88 N -0.98 -0.38 -0.23 1.61 -0.12 -1.21 -1.46 117.98 115.22 1lxc s PHE 88 Ca 0.00 0.38 -0.10 0.00 -0.05 0.00 0.00 56.93 57.16 1lxc s PHE 88 Cb 0.00 0.31 -0.05 0.00 -0.63 0.00 0.00 43.02 42.65 1lxc s PHE 88 CO 0.00 -0.63 0.15 0.08 -0.05 0.00 0.00 175.22 174.77 1lxc s VAL 89 N -2.53 5.36 -0.54 -2.49 1.01 0.23 -2.59 120.40 118.85 1lxc s VAL 89 Ca -0.05 0.18 -0.12 0.00 0.00 0.00 0.00 61.98 61.99 1lxc s VAL 89 Cb -0.01 -3.49 0.13 0.00 0.00 0.00 0.00 36.38 33.02 1lxc s VAL 89 CO -0.02 0.37 0.45 -2.28 0.00 0.00 0.00 175.10 173.62 1lxc s HIS 90 N 0.90 3.38 -0.56 5.22 2.46 0.14 -2.05 115.29 124.78 1lxc s HIS 90 Ca 0.08 -1.66 0.04 0.00 0.47 0.00 0.00 55.06 53.99 1lxc s HIS 90 Cb -0.13 -3.65 0.37 0.00 -0.13 0.00 0.00 32.58 29.04 1lxc s HIS 90 CO 0.03 -1.00 1.10 0.45 -2.47 0.00 0.00 174.74 172.85 1lxc n SER 91 N 4.93 4.85 -4.23 9.88 2.88 -1.26 -2.53 113.62 128.14 1lxc n SER 91 Ca -0.08 -3.71 -0.32 0.00 -1.33 0.00 0.00 58.87 53.43 1lxc n SER 91 Cb 0.41 -0.57 -0.17 0.00 -0.75 0.00 0.00 64.21 63.13 1lxc n SER 91 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1lxc s ILE 92 N -4.92 2.04 -0.22 2.46 1.01 -1.26 -4.37 121.20 115.93 1lxc s ILE 92 Ca 0.48 -1.02 -0.12 0.00 0.00 0.00 0.00 60.65 59.99 1lxc s ILE 92 Cb 0.33 -1.75 0.07 0.00 0.01 0.00 0.00 42.46 41.12 1lxc s ILE 92 CO -0.17 0.56 0.54 -0.83 0.00 0.00 0.00 174.94 175.03 1lxc s GLY 93 N 0.23 -0.47 -0.19 6.18 0.00 -1.26 -4.58 107.32 107.22 1lxc s GLY 93 Ca -0.15 1.93 -0.20 0.00 0.00 0.00 0.00 44.72 46.30 1lxc s GLY 93 CO 0.08 2.04 0.56 -0.12 0.00 0.00 0.00 173.10 175.65 1lxc s PHE 94 N 1.56 -0.60 -0.04 1.90 5.36 -1.26 -4.99 117.98 119.91 1lxc s PHE 94 Ca -0.10 1.43 -0.03 0.00 -0.96 0.00 0.00 56.93 57.27 1lxc s PHE 94 Cb -0.07 0.22 0.01 0.00 -0.34 0.00 0.00 43.02 42.84 1lxc s PHE 94 CO -0.16 -0.32 0.10 0.00 -1.46 0.00 0.00 175.22 173.38 1lxc s ALA 95 N 0.12 -0.25 0.06 11.12 0.00 -1.26 -3.88 121.76 127.67 1lxc s ALA 95 Ca -0.01 0.30 -0.33 0.00 0.00 0.00 0.00 51.96 51.92 1lxc s ALA 95 Cb -0.04 -0.18 -0.12 0.00 0.00 0.00 0.00 23.12 22.79 1lxc s ALA 95 CO 0.02 -0.05 1.79 -2.30 0.00 0.00 0.00 175.76 175.22 1lxc n PRO 96 N 3.07 2.43 -0.16 0.00 -0.02 -1.26 -4.82 135.00 134.23 1lxc n PRO 96 Ca -0.13 0.88 0.02 0.00 -2.02 0.00 0.00 63.50 62.26 1lxc n PRO 96 Cb 0.59 -2.73 0.05 0.00 -0.02 0.00 0.00 33.50 31.39 1lxc n PRO 96 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1lxc n GLY 97 N 4.09 -0.76 0.00 -1.23 0.00 -1.26 0.37 105.19 106.40 1lxc n GLY 97 Ca 0.19 0.46 0.00 0.00 0.00 0.00 0.00 46.02 46.68 1lxc n GLY 97 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1lxc n ASP 98 N -4.68 0.00 0.06 1.61 5.75 -1.26 -2.37 116.55 115.65 1lxc n ASP 98 Ca 0.06 0.44 -0.13 0.00 -0.01 0.00 0.00 54.79 55.15 1lxc n ASP 98 Cb 0.21 -0.44 -0.13 0.00 -1.03 0.00 0.00 41.12 39.72 1lxc n ASP 98 CO 0.00 0.00 0.00 1.56 -0.11 0.00 0.00 177.20 178.65 1lxc h GLN 99 N 0.00 0.15 -2.06 0.11 1.08 -0.38 -3.39 115.11 110.63 1lxc h GLN 99 Ca 0.00 -0.26 -0.63 0.00 -1.45 0.00 0.00 58.65 56.32 1lxc h GLN 99 Cb 0.08 0.10 -0.21 0.00 -0.05 0.00 0.00 27.48 27.39 1lxc h GLN 99 CO 0.00 1.03 0.80 1.28 -0.95 0.00 0.00 178.83 180.99 1lxc n LEU 100 N -3.39 7.00 -3.66 1.46 7.99 -1.00 -4.51 117.00 120.89 1lxc n LEU 100 Ca -0.10 -4.46 -0.10 0.00 -0.01 0.00 0.00 56.01 51.34 1lxc n LEU 100 Cb 1.01 -1.18 -0.08 0.00 -0.11 0.00 0.00 43.42 43.06 1lxc n LEU 100 CO 0.50 1.78 0.28 -0.62 -1.51 0.00 0.00 177.39 177.81 1lxc s ASP 101 N -0.23 -0.74 0.21 -1.43 2.15 -1.24 -4.74 116.67 110.64 1lxc s ASP 101 Ca 0.55 1.29 0.00 0.00 0.43 0.00 0.00 52.55 54.82 1lxc s ASP 101 Cb 0.38 1.22 0.00 0.00 -0.30 0.00 0.00 42.92 44.22 1lxc s ASP 101 CO -0.28 -0.22 0.00 0.61 -0.17 0.00 0.00 175.17 175.11 1lxc n GLY 102 N 3.68 -1.94 3.61 2.66 0.00 -1.26 -4.71 105.19 107.23 1lxc n GLY 102 Ca -0.18 -1.36 -0.57 0.00 0.00 0.00 0.00 46.02 43.91 1lxc n GLY 102 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1lxc n ASP 103 N -0.96 1.31 0.16 1.61 -0.08 -1.26 -4.39 116.55 112.94 1lxc n ASP 103 Ca 0.00 1.13 -0.14 0.00 -1.51 0.00 0.00 54.79 54.27 1lxc n ASP 103 Cb 0.09 -1.08 -0.07 0.00 2.34 0.00 0.00 41.12 42.40 1lxc n ASP 103 CO 0.00 0.00 0.00 0.22 0.12 0.00 0.00 177.20 177.54 1lxc h TYR 104 N 4.72 -0.59 -0.58 -0.67 3.20 -1.94 -1.24 116.97 119.86 1lxc h TYR 104 Ca -0.48 0.00 0.12 0.00 3.14 0.00 0.00 58.73 61.51 1lxc h TYR 104 Cb 1.36 0.23 -0.03 0.00 1.54 0.00 0.00 36.73 39.83 1lxc h TYR 104 CO 0.63 -0.33 0.40 0.28 -1.64 0.00 0.00 178.16 177.49 1lxc h VAL 105 N -0.49 0.84 0.04 1.81 2.07 -1.94 -0.66 116.25 117.93 1lxc h VAL 105 Ca -0.01 -0.10 -0.26 0.00 0.82 0.00 0.00 66.70 67.15 1lxc h VAL 105 Cb 0.45 0.52 -0.03 0.00 -1.52 0.00 0.00 31.29 30.72 1lxc h VAL 105 CO -0.04 0.05 -1.37 0.78 0.02 0.00 0.00 177.57 177.01 1lxc h ASN 106 N 0.29 0.12 -0.01 0.57 2.35 -1.88 -3.37 115.58 113.66 1lxc h ASN 106 Ca 0.28 -0.17 -0.11 0.00 -0.55 0.00 0.00 56.30 55.75 1lxc h ASN 106 Cb 0.69 -0.04 0.01 0.00 0.05 0.00 0.00 38.32 39.03 1lxc h ASN 106 CO -0.06 1.14 -0.42 0.00 -1.65 0.00 0.00 177.43 176.44 1lxc h ALA 107 N 0.84 0.06 -2.87 -0.83 0.00 -0.61 -3.46 119.26 112.39 1lxc h ALA 107 Ca -0.16 -0.51 -0.57 0.00 0.00 0.00 0.00 54.91 53.67 1lxc h ALA 107 Cb 1.92 0.02 0.15 0.00 0.00 0.00 0.00 17.79 19.88 1lxc h ALA 107 CO 0.13 0.22 0.31 1.55 0.00 0.00 0.00 179.25 181.45 1lxc n VAL 108 N -4.36 3.77 -3.93 0.00 3.14 -0.31 -4.74 118.33 111.90 1lxc n VAL 108 Ca -0.10 -0.50 -0.09 0.00 -2.96 0.00 0.00 64.34 60.69 1lxc n VAL 108 Cb 0.58 -1.33 -0.08 0.00 -1.06 0.00 0.00 33.84 31.95 1lxc n VAL 108 CO 0.00 0.00 0.00 0.42 -6.46 0.00 0.00 176.83 170.79 1lxc s THR 109 N -1.41 0.14 0.29 1.55 -4.23 -1.26 -4.99 115.64 105.73 1lxc s THR 109 Ca 0.74 -1.36 -0.01 0.00 -1.18 0.00 0.00 61.69 59.89 1lxc s THR 109 Cb -0.43 -1.50 0.27 0.00 1.34 0.00 0.00 72.50 72.19 1lxc s THR 109 CO 0.48 -0.63 1.92 -0.09 -0.54 0.00 0.00 174.62 175.75 1lxc h ARG 110 N 2.78 1.07 0.01 3.99 2.43 -1.98 0.05 114.38 122.73 1lxc h ARG 110 Ca -0.34 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 58.77 1lxc h ARG 110 Cb 1.19 -0.24 0.00 0.00 -0.42 0.00 0.00 29.97 30.50 1lxc h ARG 110 CO 0.57 0.71 -0.00 0.93 -1.51 0.00 0.00 179.97 180.66 1lxc h GLU 111 N 1.10 -0.01 -0.88 0.20 4.39 -1.98 -0.43 114.58 116.96 1lxc h GLU 111 Ca 0.38 0.00 0.07 0.00 0.34 0.00 0.00 59.36 60.16 1lxc h GLU 111 Cb 0.11 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 28.70 1lxc h GLU 111 CO -0.13 0.52 0.54 0.78 -1.16 0.00 0.00 179.01 179.56 1lxc h GLY 112 N -0.55 1.36 0.94 -3.84 0.00 -1.93 0.11 103.07 99.16 1lxc h GLY 112 Ca -0.00 -0.39 -0.01 0.00 0.00 0.00 0.00 47.33 46.94 1lxc h GLY 112 CO 0.00 0.23 0.13 -2.75 0.00 0.00 0.00 176.54 174.16 1lxc h PHE 113 N 0.96 0.37 0.26 5.60 3.04 -0.95 -1.11 116.94 125.11 1lxc h PHE 113 Ca 0.40 -0.01 0.01 0.00 3.98 0.00 0.00 57.97 62.34 1lxc h PHE 113 Cb 0.24 -0.11 -0.03 0.00 2.56 0.00 0.00 35.95 38.61 1lxc h PHE 113 CO -0.03 0.33 -0.33 -0.22 -2.02 0.00 0.00 178.31 176.04 1lxc h LYS 114 N 0.29 -0.62 -0.29 1.11 3.11 0.57 -2.13 116.57 118.61 1lxc h LYS 114 Ca 0.09 0.04 0.01 0.00 -2.81 0.00 0.00 60.65 57.98 1lxc h LYS 114 Cb 0.10 0.14 -0.02 0.00 -1.00 0.00 0.00 32.23 31.45 1lxc h LYS 114 CO -0.01 -0.41 0.18 0.82 -2.81 0.00 0.00 179.45 177.21 1lxc h ILE 115 N -0.64 1.04 -0.07 2.00 2.04 -0.83 -0.92 117.51 120.13 1lxc h ILE 115 Ca -0.00 -0.12 0.04 0.00 1.00 0.00 0.00 64.86 65.77 1lxc h ILE 115 Cb 0.61 0.65 -0.05 0.00 -0.74 0.00 0.00 36.82 37.29 1lxc h ILE 115 CO -0.10 0.07 -0.27 0.00 0.00 0.00 0.00 178.15 177.85 1lxc h ALA 116 N 1.12 -0.32 -0.38 1.87 0.00 -1.06 0.19 119.26 120.69 1lxc h ALA 116 Ca 0.11 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 1lxc h ALA 116 Cb -0.01 0.49 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1lxc h ALA 116 CO -0.05 -0.75 0.07 0.45 0.00 0.00 0.00 179.25 178.98 1lxc h HIS 117 N -0.37 0.65 -0.15 0.00 3.86 -1.32 -0.37 115.15 117.44 1lxc h HIS 117 Ca 0.08 -0.09 0.03 0.00 -1.16 0.00 0.00 60.37 59.23 1lxc h HIS 117 Cb 0.49 -0.18 -0.02 0.00 1.06 0.00 0.00 27.41 28.75 1lxc h HIS 117 CO -0.33 0.65 -0.01 0.22 0.86 0.00 0.00 177.93 179.32 1lxc h ASP 118 N 0.46 -0.08 0.37 2.45 3.58 -0.86 0.30 116.42 122.65 1lxc h ASP 118 Ca 0.12 0.04 -0.29 0.00 0.42 0.00 0.00 57.03 57.31 1lxc h ASP 118 Cb 0.34 0.07 0.02 0.00 1.72 0.00 0.00 39.33 41.48 1lxc h ASP 118 CO 0.01 -0.02 -1.28 0.40 -2.88 0.00 0.00 179.24 175.47 1lxc h ILE 119 N 0.04 1.37 0.00 2.25 1.08 -0.98 -2.38 117.51 118.89 1lxc h ILE 119 Ca 0.07 -2.74 -0.08 0.00 -0.39 0.00 0.00 64.86 61.72 1lxc h ILE 119 Cb 0.09 2.85 -0.01 0.00 -3.07 0.00 0.00 36.82 36.68 1lxc h ILE 119 CO -0.13 0.82 -0.80 0.28 -0.69 0.00 0.00 178.15 177.63 1lxc h SER 120 N 0.16 0.00 0.00 1.72 0.02 -1.06 -3.39 113.55 111.00 1lxc h SER 120 Ca -0.18 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.77 1lxc h SER 120 Cb 1.97 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.51 1lxc h SER 120 CO 0.23 0.31 -0.82 -0.24 -1.14 0.00 0.00 176.83 175.17 1lxc n SER 121 N -2.97 0.00 0.04 3.07 2.88 0.99 -4.79 113.62 112.84 1lxc n SER 121 Ca -0.01 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 57.51 1lxc n SER 121 Cb 0.68 -0.00 0.26 0.00 -0.75 0.00 0.00 64.21 64.39 1lxc n SER 121 CO 0.00 0.00 0.00 0.22 -1.23 0.00 0.00 175.04 174.03 1lxc h TYR 122 N 0.00 0.46 -0.57 0.66 3.20 -1.28 -2.91 116.97 116.53 1lxc h TYR 122 Ca 0.00 -0.08 0.13 0.00 3.14 0.00 0.00 58.73 61.92 1lxc h TYR 122 Cb 0.82 -0.12 -0.03 0.00 1.54 0.00 0.00 36.73 38.94 1lxc h TYR 122 CO 0.00 0.60 0.39 0.66 -1.64 0.00 0.00 178.16 178.17 1lxc h SER 123 N 0.38 0.15 -0.13 -2.11 4.64 -1.63 -0.04 113.55 114.82 1lxc h SER 123 Ca 0.06 0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.38 1lxc h SER 123 Cb 0.56 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 62.62 1lxc h SER 123 CO 0.04 0.09 0.03 0.15 -0.87 0.00 0.00 176.83 176.27 1lxc h PHE 124 N 0.17 0.22 0.00 4.77 3.57 -1.81 -1.82 116.94 122.04 1lxc h PHE 124 Ca 0.27 -0.03 -0.20 0.00 3.53 0.00 0.00 57.97 61.54 1lxc h PHE 124 Cb 0.84 -0.06 -0.03 0.00 2.79 0.00 0.00 35.95 39.49 1lxc h PHE 124 CO -0.00 0.36 -0.96 -0.24 -2.23 0.00 0.00 178.31 175.25 1lxc h VAL 125 N 0.01 1.66 -0.78 1.41 3.04 -1.55 -2.74 116.25 117.30 1lxc h VAL 125 Ca 0.04 -3.30 0.01 0.00 -1.01 0.00 0.00 66.70 62.44 1lxc h VAL 125 Cb 0.25 2.79 -0.04 0.00 -2.01 0.00 0.00 31.29 32.29 1lxc h VAL 125 CO 0.00 0.94 0.52 0.00 -1.01 0.00 0.00 177.57 178.01 1lxc h ALA 126 N 1.04 1.45 -0.37 3.17 0.00 -0.97 0.44 119.26 124.02 1lxc h ALA 126 Ca -0.01 -0.05 -0.16 0.00 0.00 0.00 0.00 54.91 54.69 1lxc h ALA 126 Cb 1.72 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 19.18 1lxc h ALA 126 CO 0.12 0.51 -0.38 0.52 0.00 0.00 0.00 179.25 180.03 1lxc h MET 127 N 1.06 0.90 -0.54 0.00 2.07 -1.27 -1.93 114.93 115.22 1lxc h MET 127 Ca 0.29 -0.47 -0.06 0.00 -2.07 0.00 0.00 59.70 57.39 1lxc h MET 127 Cb -0.12 0.01 -0.02 0.00 -1.87 0.00 0.00 31.60 29.60 1lxc h MET 127 CO -0.06 1.11 0.09 0.00 1.07 0.00 0.00 176.91 179.12 1lxc h ALA 128 N 0.83 0.72 0.09 6.32 0.00 -1.04 -2.79 119.26 123.38 1lxc h ALA 128 Ca 0.06 -0.25 0.01 0.00 0.00 0.00 0.00 54.91 54.74 1lxc h ALA 128 Cb 0.96 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.51 1lxc h ALA 128 CO 0.09 0.46 -0.41 0.87 0.00 0.00 0.00 179.25 180.27 1lxc h LYS 129 N 0.78 -0.55 -0.83 0.00 1.57 0.09 -0.55 116.57 117.08 1lxc h LYS 129 Ca 0.16 0.04 0.24 0.00 -1.87 0.00 0.00 60.65 59.22 1lxc h LYS 129 Cb 0.41 0.13 -0.04 0.00 0.08 0.00 0.00 32.23 32.81 1lxc h LYS 129 CO 0.01 -0.37 0.59 0.00 -0.57 0.00 0.00 179.45 179.11 1lxc h ALA 130 N -0.77 2.74 -0.09 3.86 0.00 -1.26 -2.84 119.26 120.90 1lxc h ALA 130 Ca -0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1lxc h ALA 130 Cb 0.58 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1lxc h ALA 130 CO -0.22 -0.98 0.00 0.00 0.00 0.00 0.00 179.25 178.05 1lxc h ARG 132 N 0.58 0.12 0.00 0.00 2.43 -0.85 0.34 114.38 117.00 1lxc h ARG 132 Ca 0.00 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.12 1lxc h ARG 132 Cb 0.51 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.02 1lxc h ARG 132 CO 0.00 0.08 -0.20 0.66 -1.51 0.00 0.00 179.97 179.00 1lxc h SER 133 N 0.12 0.00 1.23 -3.80 4.64 -1.87 -2.94 113.55 110.93 1lxc h SER 133 Ca 0.51 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.83 1lxc h SER 133 Cb 1.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.09 1lxc h SER 133 CO -0.72 0.20 0.00 0.23 -0.87 0.00 0.00 176.83 175.67 1lxc n MET 134 N -3.38 0.14 -2.74 4.77 2.81 0.12 -4.84 117.12 113.99 1lxc n MET 134 Ca 0.00 0.12 -0.42 0.00 -1.81 0.00 0.00 57.70 55.59 1lxc n MET 134 Cb 0.41 -1.66 -0.03 0.00 -0.71 0.00 0.00 33.22 31.23 1lxc n MET 134 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1lxc s LEU 135 N -3.80 4.33 0.48 4.03 1.43 -1.06 -1.81 118.68 122.27 1lxc s LEU 135 Ca 0.12 1.56 -0.20 0.00 -1.03 0.00 0.00 54.13 54.58 1lxc s LEU 135 Cb 0.15 -3.51 -0.09 0.00 0.03 0.00 0.00 46.19 42.78 1lxc s LEU 135 CO 0.56 -0.30 1.01 0.20 0.23 0.00 0.00 176.35 178.05 1lxc s ASN 136 N 1.02 6.50 0.34 2.29 0.01 -0.61 -4.94 114.94 119.55 1lxc s ASN 136 Ca 0.49 1.84 -0.29 0.00 -0.71 0.00 0.00 52.86 54.19 1lxc s ASN 136 Cb -0.20 -2.55 -0.11 0.00 0.41 0.00 0.00 41.25 38.80 1lxc s ASN 136 CO 0.24 -0.67 1.43 -2.16 -1.51 0.00 0.00 177.10 174.43 1lxc s PRO 137 N -3.30 4.21 0.00 -0.60 0.04 -1.26 -1.24 135.00 132.85 1lxc s PRO 137 Ca 0.65 2.42 0.00 0.00 0.04 0.00 0.00 61.00 64.11 1lxc s PRO 137 Cb -0.14 -3.02 0.00 0.00 0.04 0.00 0.00 34.50 31.38 1lxc s PRO 137 CO 0.19 -0.41 0.00 0.41 0.04 0.00 0.00 177.00 177.24 1lxc n GLY 138 N 0.90 0.66 3.81 0.56 0.00 0.15 -5.03 105.19 106.24 1lxc n GLY 138 Ca 0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 1lxc n GLY 138 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1lxc s SER 139 N -2.71 5.34 0.00 1.61 0.01 -0.38 -4.89 113.70 112.68 1lxc s SER 139 Ca 0.00 1.71 0.01 0.00 1.31 0.00 0.00 55.95 58.98 1lxc s SER 139 Cb 0.00 -2.51 -0.01 0.00 0.21 0.00 0.00 66.02 63.72 1lxc s SER 139 CO 0.00 -1.47 -0.04 0.00 0.41 0.00 0.00 173.24 172.14 1lxc s ALA 140 N -2.86 0.28 -0.05 1.44 0.00 -0.83 -1.63 121.76 118.10 1lxc s ALA 140 Ca 0.60 -0.21 0.04 0.00 0.00 0.00 0.00 51.96 52.40 1lxc s ALA 140 Cb -0.15 -0.05 -0.02 0.00 0.00 0.00 0.00 23.12 22.90 1lxc s ALA 140 CO 0.50 0.05 -0.18 -0.51 0.00 0.00 0.00 175.76 175.62 1lxc s LEU 141 N -0.27 2.50 0.01 0.00 1.43 0.82 -3.29 118.68 119.88 1lxc s LEU 141 Ca -0.01 -0.31 0.02 0.00 -1.03 0.00 0.00 54.13 52.80 1lxc s LEU 141 Cb -0.02 -1.49 -0.01 0.00 0.03 0.00 0.00 46.19 44.70 1lxc s LEU 141 CO -0.00 0.31 -0.06 -0.22 0.23 0.00 0.00 176.35 176.61 1lxc s LEU 142 N -0.50 2.07 0.23 1.79 2.96 -1.07 -1.04 118.68 123.12 1lxc s LEU 142 Ca 0.06 -0.21 0.01 0.00 -0.22 0.00 0.00 54.13 53.78 1lxc s LEU 142 Cb -0.12 -0.23 -0.05 0.00 0.50 0.00 0.00 46.19 46.29 1lxc s LEU 142 CO 0.01 -0.01 0.06 0.28 -1.32 0.00 0.00 176.35 175.38 1lxc s THR 143 N -0.44 0.61 -0.11 3.68 -1.32 -0.94 0.24 115.64 117.36 1lxc s THR 143 Ca -0.01 -2.00 0.01 0.00 -1.21 0.00 0.00 61.69 58.49 1lxc s THR 143 Cb -0.04 -2.46 -0.01 0.00 -1.51 0.00 0.00 72.50 68.47 1lxc s THR 143 CO -0.00 -0.16 -0.16 -0.76 -2.21 0.00 0.00 174.62 171.32 1lxc s LEU 144 N -3.27 2.53 0.00 9.08 1.02 -1.05 -1.22 118.68 125.78 1lxc s LEU 144 Ca 0.33 -0.38 0.02 0.00 0.02 0.00 0.00 54.13 54.12 1lxc s LEU 144 Cb 0.07 -1.55 -0.01 0.00 0.02 0.00 0.00 46.19 44.73 1lxc s LEU 144 CO 0.10 0.18 0.09 -0.24 0.02 0.00 0.00 176.35 176.51 1lxc n SER 145 N 3.39 2.04 -3.99 2.29 2.88 0.19 -4.93 113.62 115.50 1lxc n SER 145 Ca -0.18 -3.15 -0.08 0.00 -1.33 0.00 0.00 58.87 54.13 1lxc n SER 145 Cb 0.53 0.76 -0.09 0.00 -0.75 0.00 0.00 64.21 64.66 1lxc n SER 145 CO 0.00 0.00 0.00 -0.47 -1.23 0.00 0.00 175.04 173.34 1lxc s TYR 146 N -2.95 0.37 0.65 0.66 5.04 -1.26 -1.87 117.35 117.98 1lxc s TYR 146 Ca 0.13 -0.87 0.36 0.00 -2.44 0.00 0.00 57.07 54.25 1lxc s TYR 146 Cb 0.01 -0.26 2.00 0.00 0.35 0.00 0.00 41.96 44.06 1lxc s TYR 146 CO 0.09 -0.45 2.17 1.25 -1.34 0.00 0.00 175.55 177.27 1lxc h LEU 147 N 2.99 0.00 0.00 6.97 5.85 -1.90 -1.86 115.31 127.36 1lxc h LEU 147 Ca -0.34 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.38 1lxc h LEU 147 Cb 1.16 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.19 1lxc h LEU 147 CO 0.62 0.00 0.00 0.61 -0.34 0.00 0.00 178.44 179.33 1lxc n GLY 148 N -1.20 -0.47 0.09 3.75 0.00 -1.26 -1.08 105.19 105.02 1lxc n GLY 148 Ca -0.02 -0.01 -0.13 0.00 0.00 0.00 0.00 46.02 45.86 1lxc n GLY 148 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lxc h ALA 149 N 2.11 0.30 0.00 4.61 0.00 -1.49 -3.37 119.26 121.41 1lxc h ALA 149 Ca 0.00 -1.03 -0.18 0.00 0.00 0.00 0.00 54.91 53.70 1lxc h ALA 149 Cb 0.03 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 1lxc h ALA 149 CO 0.00 1.17 -1.88 0.39 0.00 0.00 0.00 179.25 178.93 1lxc n GLU 150 N -3.40 0.65 -4.07 0.00 1.02 -0.24 -4.57 120.64 110.03 1lxc n GLU 150 Ca -0.10 0.03 -0.11 0.00 -0.02 0.00 0.00 57.16 56.97 1lxc n GLU 150 Cb 1.01 -1.64 -0.11 0.00 -0.02 0.00 0.00 31.44 30.68 1lxc n GLU 150 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1lxc s ARG 151 N -2.95 0.54 -0.38 3.49 0.52 -0.69 -5.11 118.95 114.37 1lxc s ARG 151 Ca -0.07 -0.87 -0.29 0.00 -0.52 0.00 0.00 55.73 53.98 1lxc s ARG 151 Cb 0.09 -0.14 0.01 0.00 0.52 0.00 0.00 34.95 35.44 1lxc s ARG 151 CO 0.84 0.00 1.29 0.00 0.02 0.00 0.00 175.30 177.46 1lxc s ALA 152 N -2.04 3.21 -0.18 2.13 0.00 -1.26 -4.24 121.76 119.38 1lxc s ALA 152 Ca -0.06 -0.13 -0.03 0.00 0.00 0.00 0.00 51.96 51.74 1lxc s ALA 152 Cb -0.06 -3.86 -0.02 0.00 0.00 0.00 0.00 23.12 19.19 1lxc s ALA 152 CO -0.02 -2.09 -0.06 0.42 0.00 0.00 0.00 175.76 174.02 1lxc s ILE 153 N 4.74 3.46 0.23 0.00 1.01 -1.26 -5.09 121.20 124.29 1lxc s ILE 153 Ca 0.56 -0.49 -0.29 0.00 0.00 0.00 0.00 60.65 60.43 1lxc s ILE 153 Cb -0.13 -2.53 -0.16 0.00 0.01 0.00 0.00 42.46 39.65 1lxc s ILE 153 CO 0.28 0.46 0.83 -2.65 0.00 0.00 0.00 174.94 173.87 1lxc n PRO 154 N 4.15 0.75 0.00 2.79 -0.02 -1.26 -2.06 135.00 139.35 1lxc n PRO 154 Ca -0.18 0.26 0.00 0.00 -2.02 0.00 0.00 63.50 61.56 1lxc n PRO 154 Cb 0.52 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.49 1lxc n PRO 154 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1lxc n ASN 155 N 1.63 0.00 0.24 2.55 3.02 -1.26 -4.65 115.26 116.79 1lxc n ASN 155 Ca 0.14 0.00 0.11 0.00 -0.03 0.00 0.00 54.58 54.80 1lxc n ASN 155 Cb 0.28 -0.26 0.59 0.00 -0.61 0.00 0.00 39.78 39.78 1lxc n ASN 155 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 1lxc h TYR 156 N 0.00 0.00 0.00 3.10 3.20 -1.71 -3.29 116.97 118.28 1lxc h TYR 156 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1lxc h TYR 156 Cb 0.00 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.27 1lxc h TYR 156 CO 0.00 0.18 0.00 0.09 -1.64 0.00 0.00 178.16 176.79 1lxc n ASN 157 N -3.51 0.00 0.25 -2.11 3.02 -1.25 -1.58 115.26 110.08 1lxc n ASN 157 Ca -0.01 0.00 0.14 0.00 -0.03 0.00 0.00 54.58 54.68 1lxc n ASN 157 Cb 0.34 0.00 0.81 0.00 -0.61 0.00 0.00 39.78 40.31 1lxc n ASN 157 CO 0.00 0.00 0.00 1.62 -2.62 0.00 0.00 177.26 176.26 1lxc h VAL 158 N 0.00 0.66 -0.17 2.41 3.04 -1.88 -0.09 116.25 120.21 1lxc h VAL 158 Ca 0.00 0.00 0.01 0.00 -1.01 0.00 0.00 66.70 65.70 1lxc h VAL 158 Cb 0.00 0.95 -0.01 0.00 -2.01 0.00 0.00 31.29 30.22 1lxc h VAL 158 CO 0.00 0.00 0.12 0.24 -1.01 0.00 0.00 177.57 176.92 1lxc h MET 159 N 0.00 0.18 -0.68 4.17 2.86 -1.66 -0.22 114.93 119.58 1lxc h MET 159 Ca 0.04 -0.01 -0.03 0.00 -2.06 0.00 0.00 59.70 57.63 1lxc h MET 159 Cb 0.18 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 31.77 1lxc h MET 159 CO -0.00 0.12 0.30 0.78 1.06 0.00 0.00 176.91 179.16 1lxc h GLY 160 N 0.18 1.05 1.13 8.32 0.00 -1.04 0.24 103.07 112.96 1lxc h GLY 160 Ca 0.07 -0.53 -0.19 0.00 0.00 0.00 0.00 47.33 46.69 1lxc h GLY 160 CO -0.01 0.50 -0.55 1.41 0.00 0.00 0.00 176.54 177.89 1lxc h LEU 161 N 0.97 0.96 -0.71 3.11 4.07 -1.16 -2.66 115.31 119.90 1lxc h LEU 161 Ca 0.23 -0.54 -0.10 0.00 0.08 0.00 0.00 57.88 57.55 1lxc h LEU 161 Cb 0.15 -0.28 -0.02 0.00 1.08 0.00 0.00 40.66 41.59 1lxc h LEU 161 CO -0.02 1.32 -0.07 0.00 -1.08 0.00 0.00 178.44 178.59 1lxc h ALA 162 N 0.66 0.90 -0.22 1.53 0.00 -0.75 -1.92 119.26 119.47 1lxc h ALA 162 Ca 0.01 -0.32 -0.09 0.00 0.00 0.00 0.00 54.91 54.51 1lxc h ALA 162 Cb 1.16 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 1lxc h ALA 162 CO 0.12 0.64 -0.25 0.87 0.00 0.00 0.00 179.25 180.63 1lxc h LYS 163 N 0.83 0.40 -0.46 0.00 1.79 -0.54 -0.44 116.57 118.16 1lxc h LYS 163 Ca 0.14 -0.14 -0.12 0.00 -2.18 0.00 0.00 60.65 58.35 1lxc h LYS 163 Cb 0.59 -0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 31.20 1lxc h LYS 163 CO 0.04 0.62 -0.18 0.00 -1.08 0.00 0.00 179.45 178.85 1lxc h ALA 164 N 1.38 0.64 -0.54 3.86 0.00 -1.16 0.24 119.26 123.69 1lxc h ALA 164 Ca 0.06 -0.37 -0.04 0.00 0.00 0.00 0.00 54.91 54.56 1lxc h ALA 164 Cb 0.63 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 1lxc h ALA 164 CO 0.05 0.60 0.19 1.03 0.00 0.00 0.00 179.25 181.11 1lxc h SER 165 N 0.78 0.72 -0.25 0.00 0.87 -1.04 -1.36 113.55 113.26 1lxc h SER 165 Ca 0.11 -0.10 -0.09 0.00 -1.23 0.00 0.00 61.79 60.48 1lxc h SER 165 Cb 0.75 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 62.52 1lxc h SER 165 CO 0.06 0.67 -0.18 0.25 -0.53 0.00 0.00 176.83 177.10 1lxc h LEU 166 N 0.77 0.59 -1.55 2.23 5.85 -0.57 -0.98 115.31 121.66 1lxc h LEU 166 Ca 0.18 -0.44 -0.04 0.00 0.84 0.00 0.00 57.88 58.42 1lxc h LEU 166 Cb 0.19 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.05 1lxc h LEU 166 CO -0.01 0.90 -0.20 -0.33 -0.34 0.00 0.00 178.44 178.46 1lxc h GLU 167 N 0.28 0.00 0.06 1.25 5.08 -0.16 -1.14 114.58 119.95 1lxc h GLU 167 Ca 0.05 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.16 1lxc h GLU 167 Cb 0.71 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.96 1lxc h GLU 167 CO 0.05 0.20 -1.08 0.00 -1.00 0.00 0.00 179.01 177.18 1lxc h ALA 168 N 1.80 0.25 -0.53 3.43 0.00 -1.12 -3.10 119.26 119.98 1lxc h ALA 168 Ca -0.00 -0.79 0.03 0.00 0.00 0.00 0.00 54.91 54.14 1lxc h ALA 168 Cb 0.52 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.26 1lxc h ALA 168 CO 0.03 0.90 0.30 -0.97 0.00 0.00 0.00 179.25 179.51 1lxc h ASN 169 N 0.14 0.48 -0.87 0.00 -0.00 -0.28 -1.16 115.58 113.89 1lxc h ASN 169 Ca -0.10 0.01 0.18 0.00 -0.00 0.00 0.00 56.30 56.39 1lxc h ASN 169 Cb 1.76 -0.09 -0.11 0.00 -0.00 0.00 0.00 38.32 39.89 1lxc h ASN 169 CO 0.18 0.33 0.42 0.58 -0.00 0.00 0.00 177.43 178.94 1lxc h VAL 170 N 0.60 0.62 -0.12 2.57 2.07 -1.17 0.44 116.25 121.25 1lxc h VAL 170 Ca 0.22 -0.18 -0.05 0.00 0.82 0.00 0.00 66.70 67.51 1lxc h VAL 170 Cb 0.06 0.05 -0.00 0.00 -1.52 0.00 0.00 31.29 29.87 1lxc h VAL 170 CO -0.12 0.10 -0.13 0.03 0.02 0.00 0.00 177.57 177.47 1lxc h ARG 171 N 0.53 0.30 -0.31 1.57 3.08 -1.20 -1.26 114.38 117.08 1lxc h ARG 171 Ca 0.50 -0.16 -0.05 0.00 0.07 0.00 0.00 59.98 60.34 1lxc h ARG 171 Cb 0.82 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.87 1lxc h ARG 171 CO -0.43 0.71 -0.01 1.88 -1.07 0.00 0.00 179.97 181.05 1lxc h TYR 172 N -0.09 0.62 -0.78 3.04 -1.99 -0.53 -0.64 116.97 116.60 1lxc h TYR 172 Ca 0.02 -0.11 -0.01 0.00 2.00 0.00 0.00 58.73 60.63 1lxc h TYR 172 Cb 0.65 -0.16 -0.04 0.00 2.00 0.00 0.00 36.73 39.19 1lxc h TYR 172 CO 0.09 0.70 0.46 0.52 -0.00 0.00 0.00 178.16 179.92 1lxc h MET 173 N 0.36 1.07 -0.83 4.88 2.86 -0.21 0.31 114.93 123.36 1lxc h MET 173 Ca 0.09 -0.10 -0.02 0.00 -2.06 0.00 0.00 59.70 57.61 1lxc h MET 173 Cb 0.46 -0.22 -0.04 0.00 0.06 0.00 0.00 31.60 31.86 1lxc h MET 173 CO 0.02 0.76 0.44 0.00 1.06 0.00 0.00 176.91 179.19 1lxc h ALA 174 N 1.24 1.06 -0.13 6.32 0.00 -0.99 -0.89 119.26 125.87 1lxc h ALA 174 Ca 0.28 -0.13 -0.17 0.00 0.00 0.00 0.00 54.91 54.89 1lxc h ALA 174 Cb -0.02 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.43 1lxc h ALA 174 CO -0.05 0.58 -0.61 -0.97 0.00 0.00 0.00 179.25 178.19 1lxc h ASN 175 N 1.15 0.52 -0.03 0.00 -0.00 -0.56 -1.75 115.58 114.92 1lxc h ASN 175 Ca 0.29 -0.30 -0.25 0.00 -0.00 0.00 0.00 56.30 56.04 1lxc h ASN 175 Cb 0.05 -0.15 0.02 0.00 -0.00 0.00 0.00 38.32 38.23 1lxc h ASN 175 CO -0.04 1.01 -0.96 0.00 -0.00 0.00 0.00 177.43 177.43 1lxc h ALA 176 N 0.99 0.15 0.00 1.57 0.00 -0.65 -3.35 119.26 117.98 1lxc h ALA 176 Ca -0.01 -0.67 0.00 0.00 0.00 0.00 0.00 54.91 54.23 1lxc h ALA 176 Cb 1.16 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1lxc h ALA 176 CO 0.11 0.65 -0.79 -1.33 0.00 0.00 0.00 179.25 177.89 1lxc n MET 177 N -3.90 0.27 -0.21 0.00 2.81 -0.37 -4.39 117.12 111.33 1lxc n MET 177 Ca -0.10 0.04 0.01 0.00 -1.81 0.00 0.00 57.70 55.84 1lxc n MET 177 Cb 0.84 -1.64 0.10 0.00 -0.71 0.00 0.00 33.22 31.82 1lxc n MET 177 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 1lxc h GLY 178 N 4.55 0.64 0.61 3.03 0.00 -1.31 -1.62 103.07 108.97 1lxc h GLY 178 Ca 0.00 0.12 0.19 0.00 0.00 0.00 0.00 47.33 47.64 1lxc h GLY 178 CO 0.00 -0.22 0.51 -2.55 0.00 0.00 0.00 176.54 174.28 1lxc h PRO 179 N 0.09 0.00 -0.66 4.80 0.11 -1.82 0.66 132.00 135.17 1lxc h PRO 179 Ca 0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.44 1lxc h PRO 179 Cb 0.54 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.65 1lxc h PRO 179 CO -0.58 0.00 0.00 -0.85 -0.21 0.00 0.00 178.00 176.36 1lxc n GLU 180 N -4.14 3.21 -1.43 1.05 0.28 -0.63 -4.93 120.64 114.05 1lxc n GLU 180 Ca 0.13 -2.58 0.00 0.00 -0.16 0.00 0.00 57.16 54.55 1lxc n GLU 180 Cb 0.76 -1.74 0.00 0.00 1.43 0.00 0.00 31.44 31.89 1lxc n GLU 180 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1lxc n GLY 181 N 1.25 0.77 3.31 -1.84 0.00 0.22 -4.47 105.19 104.43 1lxc n GLY 181 Ca 0.24 -0.67 -0.32 0.00 0.00 0.00 0.00 46.02 45.26 1lxc n GLY 181 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1lxc s VAL 182 N -2.00 2.59 0.08 1.61 1.01 -1.07 0.34 120.40 122.96 1lxc s VAL 182 Ca 0.00 -0.83 0.02 0.00 0.00 0.00 0.00 61.98 61.16 1lxc s VAL 182 Cb 0.00 -2.04 -0.04 0.00 0.00 0.00 0.00 36.38 34.30 1lxc s VAL 182 CO 0.00 0.54 0.16 -0.13 0.00 0.00 0.00 175.10 175.68 1lxc s ARG 183 N 0.29 3.20 -0.07 2.72 0.52 -0.65 -3.31 118.95 121.65 1lxc s ARG 183 Ca -0.13 -0.57 -0.03 0.00 -0.52 0.00 0.00 55.73 54.48 1lxc s ARG 183 Cb -0.17 -2.89 0.04 0.00 0.52 0.00 0.00 34.95 32.45 1lxc s ARG 183 CO 0.07 0.58 0.10 0.08 0.02 0.00 0.00 175.30 176.15 1lxc s VAL 184 N -1.50 -0.16 0.27 3.52 1.01 -1.26 -0.13 120.40 122.15 1lxc s VAL 184 Ca 0.33 0.32 0.02 0.00 0.00 0.00 0.00 61.98 62.65 1lxc s VAL 184 Cb -0.12 -0.26 -0.04 0.00 0.00 0.00 0.00 36.38 35.96 1lxc s VAL 184 CO 0.26 0.11 0.16 0.20 0.00 0.00 0.00 175.10 175.83 1lxc s ASN 185 N 2.21 1.05 0.06 3.32 0.01 -0.21 0.14 114.94 121.51 1lxc s ASN 185 Ca 0.04 -1.52 0.01 0.00 -0.71 0.00 0.00 52.86 50.68 1lxc s ASN 185 Cb -0.13 0.39 -0.03 0.00 0.41 0.00 0.00 41.25 41.89 1lxc s ASN 185 CO -0.05 -0.89 -0.05 0.00 -1.51 0.00 0.00 177.10 174.60 1lxc s ALA 186 N -3.78 0.61 -0.18 0.60 0.00 -0.43 -2.23 121.76 116.36 1lxc s ALA 186 Ca 0.38 -1.03 -0.00 0.00 0.00 0.00 0.00 51.96 51.30 1lxc s ALA 186 Cb 0.05 0.15 0.00 0.00 0.00 0.00 0.00 23.12 23.33 1lxc s ALA 186 CO 0.17 -0.20 -0.15 0.42 0.00 0.00 0.00 175.76 176.01 1lxc s ILE 187 N -2.73 2.61 -0.76 0.00 1.01 -0.35 -1.49 121.20 119.48 1lxc s ILE 187 Ca 0.00 -0.77 -0.18 0.00 0.00 0.00 0.00 60.65 59.70 1lxc s ILE 187 Cb -0.01 -2.12 0.14 0.00 0.01 0.00 0.00 42.46 40.48 1lxc s ILE 187 CO -0.04 0.50 0.87 -0.55 0.00 0.00 0.00 174.94 175.72 1lxc s SER 188 N 1.11 6.47 0.34 3.58 0.15 -0.23 -0.64 113.70 124.48 1lxc s SER 188 Ca 0.00 -1.91 -0.24 0.00 0.70 0.00 0.00 55.95 54.50 1lxc s SER 188 Cb -0.14 -2.32 -0.10 0.00 -1.71 0.00 0.00 66.02 61.75 1lxc s SER 188 CO -0.05 -0.99 0.92 0.00 1.20 0.00 0.00 173.24 174.33 1lxc s ALA 189 N 2.15 3.19 0.93 5.45 0.00 -0.78 -1.79 121.76 130.91 1lxc s ALA 189 Ca 0.20 0.46 -0.12 0.00 0.00 0.00 0.00 51.96 52.50 1lxc s ALA 189 Cb -0.14 -3.14 0.15 0.00 0.00 0.00 0.00 23.12 19.99 1lxc s ALA 189 CO -0.02 0.18 1.13 0.20 0.00 0.00 0.00 175.76 177.25 1lxc s GLY 190 N -1.77 1.57 0.43 0.00 0.00 -0.83 -4.54 107.32 102.18 1lxc s GLY 190 Ca 0.53 -0.51 -0.26 0.00 0.00 0.00 0.00 44.72 44.47 1lxc s GLY 190 CO 0.21 0.06 1.39 2.56 0.00 0.00 0.00 173.10 177.33 1lxc s PRO 191 N -5.23 3.81 -0.11 2.90 0.04 -1.26 -4.87 135.00 130.28 1lxc s PRO 191 Ca 0.64 2.35 -0.06 0.00 0.04 0.00 0.00 61.00 63.97 1lxc s PRO 191 Cb -0.15 -2.71 0.04 0.00 0.04 0.00 0.00 34.50 31.71 1lxc s PRO 191 CO 0.54 -0.69 0.26 0.42 0.04 0.00 0.00 177.00 177.57 1lxc s ILE 192 N -1.21 -0.03 -0.49 0.56 1.01 -1.26 -4.45 121.20 115.33 1lxc s ILE 192 Ca 0.59 0.11 -0.28 0.00 0.00 0.00 0.00 60.65 61.07 1lxc s ILE 192 Cb -0.42 -0.39 0.00 0.00 0.01 0.00 0.00 42.46 41.66 1lxc s ILE 192 CO 0.55 0.05 1.55 0.00 0.00 0.00 0.00 174.94 177.08 1lxc s ARG 193 N 1.02 3.27 0.00 2.79 1.70 -1.26 -4.94 118.95 121.53 1lxc s ARG 193 Ca -0.07 0.76 0.00 0.00 -0.47 0.00 0.00 55.73 55.94 1lxc s ARG 193 Cb -0.08 -4.15 0.00 0.00 -0.57 0.00 0.00 34.95 30.14 1lxc s ARG 193 CO -0.07 -1.96 0.00 0.25 -1.08 0.00 0.00 175.30 172.44 1lxc n THR 194 N 7.06 0.00 -1.79 4.99 -2.24 -1.26 -5.01 114.28 116.02 1lxc n THR 194 Ca 0.16 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.52 1lxc n THR 194 Cb 0.49 0.00 -0.00 0.00 -2.10 0.00 0.00 70.33 68.72 1lxc n THR 194 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1lxc n LEU 195 N 0.00 6.51 0.00 3.22 7.94 -1.26 -5.10 117.00 128.31 1lxc n LEU 195 Ca 0.00 -4.05 0.00 0.00 -1.11 0.00 0.00 56.01 50.85 1lxc n LEU 195 Cb 0.00 -1.64 0.00 0.00 0.53 0.00 0.00 43.42 42.31 1lxc n LEU 195 CO 0.00 0.92 0.00 0.33 -1.11 0.00 0.00 177.39 177.53 1lxc n PHE 203 N 6.46 0.00 -0.08 1.96 7.35 -1.26 -5.17 117.46 126.71 1lxc n PHE 203 Ca 0.52 0.00 -0.12 0.00 -0.76 0.00 0.00 57.45 57.08 1lxc n PHE 203 Cb 0.40 0.00 -0.05 0.00 0.35 0.00 0.00 39.48 40.18 1lxc n PHE 203 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1lxc h ARG 204 N 0.00 0.50 0.00 -4.13 -0.00 -2.04 -2.16 114.38 106.55 1lxc h ARG 204 Ca 0.00 -0.21 -0.04 0.00 -0.50 0.00 0.00 59.98 59.23 1lxc h ARG 204 Cb 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 29.97 29.95 1lxc h ARG 204 CO 0.00 0.75 -0.19 1.57 0.00 0.00 0.00 179.97 182.10 1lxc h LYS 205 N 0.23 0.00 -0.10 0.04 2.10 -2.06 -2.09 116.57 114.70 1lxc h LYS 205 Ca 0.06 0.00 -0.09 0.00 -2.00 0.00 0.00 60.65 58.62 1lxc h LYS 205 Cb 0.59 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.92 1lxc h LYS 205 CO 0.03 0.19 -0.28 1.98 -2.00 0.00 0.00 179.45 179.37 1lxc h MET 206 N 0.00 0.36 -0.22 0.07 -1.53 -1.95 -2.89 114.93 108.77 1lxc h MET 206 Ca -0.00 -0.26 0.02 0.00 -3.44 0.00 0.00 59.70 56.01 1lxc h MET 206 Cb 0.38 0.04 -0.02 0.00 -0.55 0.00 0.00 31.60 31.46 1lxc h MET 206 CO 0.03 0.88 0.10 -0.07 0.14 0.00 0.00 176.91 177.98 1lxc h LEU 207 N -0.09 0.14 -0.98 3.39 3.38 -1.14 0.34 115.31 120.34 1lxc h LEU 207 Ca -0.01 0.01 0.17 0.00 0.09 0.00 0.00 57.88 58.14 1lxc h LEU 207 Cb 0.90 -0.01 -0.10 0.00 0.09 0.00 0.00 40.66 41.54 1lxc h LEU 207 CO 0.06 0.11 0.59 0.00 0.09 0.00 0.00 178.44 179.30 1lxc h ALA 208 N 1.11 1.58 0.28 1.53 0.00 -1.44 0.77 119.26 123.09 1lxc h ALA 208 Ca 0.09 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1lxc h ALA 208 Cb 0.03 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1lxc h ALA 208 CO -0.07 0.02 -0.13 1.25 0.00 0.00 0.00 179.25 180.32 1lxc h HIS 209 N 0.81 -0.34 -0.65 0.00 -0.00 -1.10 -3.06 115.15 110.80 1lxc h HIS 209 Ca 0.54 -0.01 0.09 0.00 -0.00 0.00 0.00 60.37 60.99 1lxc h HIS 209 Cb 0.75 0.11 -0.07 0.00 -0.00 0.00 0.00 27.41 28.21 1lxc h HIS 209 CO -0.02 -0.01 0.30 0.00 -0.00 0.00 0.00 177.93 178.20 1lxc h GLU 211 N 0.52 0.25 0.05 0.00 5.08 -0.93 0.17 114.58 119.72 1lxc h GLU 211 Ca 0.32 -0.02 -0.26 0.00 -1.00 0.00 0.00 59.36 58.41 1lxc h GLU 211 Cb 0.35 -0.05 0.01 0.00 0.50 0.00 0.00 28.75 29.56 1lxc h GLU 211 CO -0.27 0.19 -1.07 0.00 -1.00 0.00 0.00 179.01 176.85 1lxc h ALA 212 N 1.85 0.20 -0.01 3.43 0.00 -1.17 -3.23 119.26 120.32 1lxc h ALA 212 Ca 0.07 -0.74 0.00 0.00 0.00 0.00 0.00 54.91 54.23 1lxc h ALA 212 Cb 0.02 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1lxc h ALA 212 CO -0.01 0.78 -0.48 1.33 0.00 0.00 0.00 179.25 180.87 1lxc n VAL 213 N -3.75 0.00 -2.58 0.00 0.24 -0.84 -4.93 118.33 106.47 1lxc n VAL 213 Ca -0.09 -0.20 -0.41 0.00 -2.04 0.00 0.00 64.34 61.59 1lxc n VAL 213 Cb 0.90 1.04 -0.04 0.00 -1.47 0.00 0.00 33.84 34.27 1lxc n VAL 213 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1lxc s THR 214 N -2.54 4.18 0.17 3.34 2.01 0.58 -4.86 115.64 118.53 1lxc s THR 214 Ca 0.19 1.76 -0.25 0.00 0.31 0.00 0.00 61.69 63.70 1lxc s THR 214 Cb 0.18 -4.13 0.06 0.00 0.01 0.00 0.00 72.50 68.62 1lxc s THR 214 CO 0.59 0.25 1.57 -0.65 -0.69 0.00 0.00 174.62 175.68 1lxc h PRO 215 N 5.72 -0.19 0.00 4.92 0.11 -1.77 0.49 132.00 141.28 1lxc h PRO 215 Ca -0.43 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1lxc h PRO 215 Cb 1.21 0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1lxc h PRO 215 CO 0.74 -0.13 0.00 0.44 -0.21 0.00 0.00 178.00 178.85 1lxc n ILE 216 N -5.41 0.22 -2.94 4.15 -5.35 -1.19 -4.87 119.36 103.97 1lxc n ILE 216 Ca 0.03 0.06 -0.19 0.00 -0.27 0.00 0.00 62.75 62.37 1lxc n ILE 216 Cb 0.35 -0.82 0.03 0.00 -1.74 0.00 0.00 39.64 37.47 1lxc n ILE 216 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1lxc n ARG 217 N -1.11 -4.36 -3.56 6.28 5.12 0.17 -4.99 116.66 114.21 1lxc n ARG 217 Ca 0.10 0.75 -0.06 0.00 -1.93 0.00 0.00 57.85 56.70 1lxc n ARG 217 Cb 0.08 -5.30 -0.02 0.00 -1.16 0.00 0.00 32.46 26.06 1lxc n ARG 217 CO 0.00 0.00 0.00 -0.98 -1.93 0.00 0.00 177.63 174.72 1lxc s ARG 218 N -5.56 0.77 0.41 5.56 1.70 -1.22 -4.81 118.95 115.80 1lxc s ARG 218 Ca 0.28 -0.32 -0.08 0.00 -0.47 0.00 0.00 55.73 55.13 1lxc s ARG 218 Cb -0.12 0.33 -0.05 0.00 -0.57 0.00 0.00 34.95 34.53 1lxc s ARG 218 CO 0.34 -0.34 0.75 0.95 -1.08 0.00 0.00 175.30 175.92 1lxc s THR 219 N -2.99 4.85 0.64 4.99 -4.23 -1.26 -4.77 115.64 112.86 1lxc s THR 219 Ca 0.07 0.44 -0.13 0.00 -1.18 0.00 0.00 61.69 60.89 1lxc s THR 219 Cb -0.01 -3.77 -0.01 0.00 1.34 0.00 0.00 72.50 70.05 1lxc s THR 219 CO -0.06 -0.59 1.06 0.68 -0.54 0.00 0.00 174.62 175.16 1lxc s VAL 220 N -2.45 3.94 0.32 2.29 -7.23 -1.26 -5.06 120.40 110.96 1lxc s VAL 220 Ca 0.49 0.77 0.08 0.00 -1.81 0.00 0.00 61.98 61.51 1lxc s VAL 220 Cb -0.10 -3.40 -0.04 0.00 0.56 0.00 0.00 36.38 33.40 1lxc s VAL 220 CO 0.35 -0.69 0.13 0.42 -0.31 0.00 0.00 175.10 175.00 1lxc s THR 221 N -2.76 3.23 -0.71 5.32 -4.23 -1.26 -4.79 115.64 110.45 1lxc s THR 221 Ca 0.61 -1.70 0.16 0.00 -1.18 0.00 0.00 61.69 59.57 1lxc s THR 221 Cb -0.15 -2.99 0.15 0.00 1.34 0.00 0.00 72.50 70.85 1lxc s THR 221 CO 0.46 -0.23 1.48 2.30 -0.54 0.00 0.00 174.62 178.09 1lxc n ILE 222 N -1.12 1.16 -0.03 2.99 -5.35 -1.26 -1.00 119.36 114.75 1lxc n ILE 222 Ca -0.04 0.38 -0.16 0.00 -0.27 0.00 0.00 62.75 62.66 1lxc n ILE 222 Cb 0.60 -1.28 -0.13 0.00 -1.74 0.00 0.00 39.64 37.10 1lxc n ILE 222 CO 0.00 0.00 0.00 -0.33 -1.76 0.00 0.00 176.55 174.46 1lxc h GLU 223 N 0.00 0.13 0.07 6.28 3.07 -1.94 0.24 114.58 122.44 1lxc h GLU 223 Ca 0.00 -0.18 0.02 0.00 -0.50 0.00 0.00 59.36 58.70 1lxc h GLU 223 Cb 0.19 0.06 -0.03 0.00 -0.84 0.00 0.00 28.75 28.13 1lxc h GLU 223 CO 0.00 1.02 -0.20 -0.44 -1.40 0.00 0.00 179.01 177.99 1lxc h ASP 224 N -0.67 -0.56 -0.89 1.42 3.32 -1.48 0.45 116.42 118.00 1lxc h ASP 224 Ca -0.04 0.07 -0.01 0.00 0.02 0.00 0.00 57.03 57.07 1lxc h ASP 224 Cb 1.14 0.22 -0.04 0.00 0.22 0.00 0.00 39.33 40.87 1lxc h ASP 224 CO 0.05 -0.28 0.51 0.58 -1.72 0.00 0.00 179.24 178.39 1lxc h VAL 225 N -0.36 1.25 -0.19 -1.35 2.07 -1.16 -2.22 116.25 114.29 1lxc h VAL 225 Ca 0.04 -0.59 0.02 0.00 0.82 0.00 0.00 66.70 66.99 1lxc h VAL 225 Cb 0.40 0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.18 1lxc h VAL 225 CO -0.13 0.27 0.07 1.23 0.02 0.00 0.00 177.57 179.03 1lxc h GLY 226 N 1.23 0.23 1.14 2.17 0.00 0.54 -0.45 103.07 107.94 1lxc h GLY 226 Ca 0.32 -0.05 -0.04 0.00 0.00 0.00 0.00 47.33 47.56 1lxc h GLY 226 CO -0.06 0.03 0.31 3.43 0.00 0.00 0.00 176.54 180.26 1lxc h ASN 227 N 0.16 1.00 0.53 0.19 2.35 0.14 -1.26 115.58 118.70 1lxc h ASN 227 Ca 0.08 -0.14 -0.07 0.00 -0.55 0.00 0.00 56.30 55.62 1lxc h ASN 227 Cb 0.04 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.14 1lxc h ASN 227 CO -0.08 0.88 -0.34 0.28 -1.65 0.00 0.00 177.43 176.53 1lxc h SER 228 N 1.07 0.00 -0.03 5.81 0.02 -1.11 -2.29 113.55 117.02 1lxc h SER 228 Ca 0.25 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 61.16 1lxc h SER 228 Cb 0.18 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.73 1lxc h SER 228 CO -0.02 0.34 -0.15 0.00 -1.14 0.00 0.00 176.83 175.86 1lxc h ALA 229 N 1.66 0.06 -0.53 3.77 0.00 -0.42 -1.12 119.26 122.68 1lxc h ALA 229 Ca -0.00 -0.38 0.08 0.00 0.00 0.00 0.00 54.91 54.60 1lxc h ALA 229 Cb 0.70 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.42 1lxc h ALA 229 CO 0.04 -0.00 0.17 0.00 0.00 0.00 0.00 179.25 179.47 1lxc h ALA 230 N 0.38 0.64 0.28 0.00 0.00 -1.18 -1.39 119.26 118.01 1lxc h ALA 230 Ca -0.01 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1lxc h ALA 230 Cb 0.80 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1lxc h ALA 230 CO 0.03 -0.23 -0.14 0.35 0.00 0.00 0.00 179.25 179.26 1lxc h PHE 231 N 0.34 -0.36 0.00 0.00 3.57 -1.39 -1.63 116.94 117.47 1lxc h PHE 231 Ca 0.26 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.75 1lxc h PHE 231 Cb 0.30 0.12 0.00 0.00 2.79 0.00 0.00 35.95 39.16 1lxc h PHE 231 CO -0.18 -0.22 0.00 -0.07 -2.23 0.00 0.00 178.31 175.61 1lxc h LEU 232 N -0.38 0.00 -1.63 0.59 3.38 -0.67 -1.12 115.31 115.47 1lxc h LEU 232 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1lxc h LEU 232 Cb 0.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1lxc h LEU 232 CO 0.06 0.00 -0.03 0.00 0.09 0.00 0.00 178.44 178.56 1lxc s SER 234 N -1.56 5.75 0.00 0.00 1.04 -0.42 -4.70 113.70 113.81 1lxc s SER 234 Ca 0.21 -0.27 0.16 0.00 0.48 0.00 0.00 55.95 56.53 1lxc s SER 234 Cb 0.15 -0.93 0.84 0.00 0.10 0.00 0.00 66.02 66.18 1lxc s SER 234 CO 0.25 -0.67 1.45 0.47 0.98 0.00 0.00 173.24 175.72 1lxc n ASP 235 N -1.82 0.00 0.19 7.02 8.00 -1.26 -2.39 116.55 126.29 1lxc n ASP 235 Ca 0.05 -0.03 0.04 0.00 0.71 0.00 0.00 54.79 55.56 1lxc n ASP 235 Cb 0.59 -0.24 0.39 0.00 -0.02 0.00 0.00 41.12 41.83 1lxc n ASP 235 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1lxc h LEU 236 N 0.00 0.00 -3.28 0.64 3.38 -1.88 -2.35 115.31 111.81 1lxc h LEU 236 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1lxc h LEU 236 Cb 0.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1lxc h LEU 236 CO 0.00 0.36 0.00 -1.54 0.09 0.00 0.00 178.44 177.35 1lxc n SER 237 N -3.84 5.21 0.14 -0.43 3.41 -1.01 -4.60 113.62 112.51 1lxc n SER 237 Ca -0.01 -2.76 0.16 0.00 -0.26 0.00 0.00 58.87 56.00 1lxc n SER 237 Cb 0.43 -0.65 0.54 0.00 -0.26 0.00 0.00 64.21 64.28 1lxc n SER 237 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1lxc h ALA 238 N 3.92 2.06 -0.59 7.33 0.00 -1.57 0.23 119.26 130.64 1lxc h ALA 238 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1lxc h ALA 238 Cb 1.77 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.58 1lxc h ALA 238 CO 0.41 -0.88 0.00 0.41 0.00 0.00 0.00 179.25 179.18 1lxc n GLY 239 N -1.47 2.47 3.06 0.00 0.00 -1.26 -4.88 105.19 103.12 1lxc n GLY 239 Ca 0.07 -0.77 -0.29 0.00 0.00 0.00 0.00 46.02 45.02 1lxc n GLY 239 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1lxc s ILE 240 N -1.85 1.56 -0.19 -0.61 1.01 0.81 -5.12 121.20 116.82 1lxc s ILE 240 Ca 0.47 -0.68 -0.22 0.00 0.00 0.00 0.00 60.65 60.23 1lxc s ILE 240 Cb 0.30 -1.42 0.06 0.00 0.01 0.00 0.00 42.46 41.40 1lxc s ILE 240 CO 0.22 0.45 0.59 -0.55 0.00 0.00 0.00 174.94 175.65 1lxc s SER 241 N 1.01 -0.60 -1.23 3.58 0.15 -1.26 -4.70 113.70 110.65 1lxc s SER 241 Ca -0.06 1.07 0.00 0.00 0.70 0.00 0.00 55.95 57.67 1lxc s SER 241 Cb -0.15 1.08 0.00 0.00 -1.71 0.00 0.00 66.02 65.24 1lxc s SER 241 CO -0.02 -0.27 0.00 0.61 1.20 0.00 0.00 173.24 174.76 1lxc n GLY 242 N 2.44 1.00 3.86 9.45 0.00 0.36 -4.93 105.19 117.38 1lxc n GLY 242 Ca -0.15 -0.45 -0.28 0.00 0.00 0.00 0.00 46.02 45.14 1lxc n GLY 242 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1lxc s GLU 243 N -3.37 3.17 -0.46 1.61 2.56 -1.25 -4.61 118.70 116.35 1lxc s GLU 243 Ca 0.00 -0.65 0.02 0.00 0.00 0.00 0.00 54.97 54.34 1lxc s GLU 243 Cb 0.00 -2.84 0.12 0.00 2.00 0.00 0.00 34.13 33.41 1lxc s GLU 243 CO 0.00 0.54 0.21 0.08 -0.56 0.00 0.00 175.26 175.53 1lxc s VAL 244 N -1.60 2.73 -0.16 3.70 1.01 -1.26 -1.31 120.40 123.50 1lxc s VAL 244 Ca 0.32 -2.80 -0.29 0.00 0.00 0.00 0.00 61.98 59.21 1lxc s VAL 244 Cb -0.12 -2.91 -0.00 0.00 0.00 0.00 0.00 36.38 33.35 1lxc s VAL 244 CO 0.26 -0.73 1.09 -0.69 0.00 0.00 0.00 175.10 175.02 1lxc s VAL 245 N 0.31 4.59 -0.24 2.92 1.01 -0.56 -4.80 120.40 123.63 1lxc s VAL 245 Ca 0.14 1.90 -0.28 0.00 0.00 0.00 0.00 61.98 63.74 1lxc s VAL 245 Cb -0.22 -4.23 0.01 0.00 0.00 0.00 0.00 36.38 31.94 1lxc s VAL 245 CO -0.04 -0.10 1.00 -1.00 0.00 0.00 0.00 175.10 174.96 1lxc s HIS 246 N 2.81 3.31 -0.64 5.22 3.76 -1.26 -1.07 115.29 127.43 1lxc s HIS 246 Ca 0.48 1.37 0.06 0.00 -0.15 0.00 0.00 55.06 56.82 1lxc s HIS 246 Cb -0.18 -3.27 0.24 0.00 1.11 0.00 0.00 32.58 30.48 1lxc s HIS 246 CO 0.13 -0.49 0.72 0.28 -0.85 0.00 0.00 174.74 174.52 1lxc n VAL 247 N 5.36 2.24 -2.32 -0.90 0.31 -0.74 -4.79 118.33 117.49 1lxc n VAL 247 Ca 0.11 -5.17 0.04 0.00 -0.01 0.00 0.00 64.34 59.30 1lxc n VAL 247 Cb 0.46 -2.10 0.03 0.00 -0.91 0.00 0.00 33.84 31.32 1lxc n VAL 247 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1lxc n ASP 248 N 0.95 0.90 -0.96 4.52 5.75 -1.26 -1.97 116.55 124.49 1lxc n ASP 248 Ca 0.29 -2.16 -0.13 0.00 -0.01 0.00 0.00 54.79 52.79 1lxc n ASP 248 Cb 0.41 -0.30 -0.05 0.00 -1.03 0.00 0.00 41.12 40.14 1lxc n ASP 248 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1lxc n GLY 249 N 0.26 1.27 1.80 6.12 0.00 -1.26 -2.06 105.19 111.32 1lxc n GLY 249 Ca 0.06 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1lxc n GLY 249 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1lxc n GLY 250 N -0.61 0.53 0.19 -0.02 0.00 -1.26 -3.01 105.19 101.02 1lxc n GLY 250 Ca -0.13 -0.15 -0.04 0.00 0.00 0.00 0.00 46.02 45.70 1lxc n GLY 250 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1lxc h PHE 251 N 0.00 -0.28 0.00 1.61 3.57 -1.75 -2.45 116.94 117.64 1lxc h PHE 251 Ca 0.00 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.53 1lxc h PHE 251 Cb 0.00 0.19 -0.00 0.00 2.79 0.00 0.00 35.95 38.93 1lxc h PHE 251 CO 0.00 -0.21 -0.06 0.66 -2.23 0.00 0.00 178.31 176.47 1lxc h SER 252 N -0.02 0.00 -0.35 0.41 4.64 -1.93 -2.77 113.55 113.53 1lxc h SER 252 Ca 0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 1lxc h SER 252 Cb 0.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 1lxc h SER 252 CO -0.46 0.06 0.00 2.30 -0.87 0.00 0.00 176.83 177.86 1lxc n ILE 253 N -3.34 0.47 -4.27 0.95 -6.64 -0.92 -4.87 119.36 100.74 1lxc n ILE 253 Ca -0.01 -0.50 -0.24 0.00 -1.77 0.00 0.00 62.75 60.22 1lxc n ILE 253 Cb 0.22 0.31 -0.08 0.00 -1.44 0.00 0.00 39.64 38.65 1lxc n ILE 253 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1lxc s ALA 254 N -1.53 3.27 -0.22 -1.28 0.00 -1.05 -5.15 121.76 115.82 1lxc s ALA 254 Ca 0.28 -1.91 -0.22 0.00 0.00 0.00 0.00 51.96 50.12 1lxc s ALA 254 Cb 0.15 -0.49 0.06 0.00 0.00 0.00 0.00 23.12 22.84 1lxc s ALA 254 CO 0.20 0.07 0.61 0.00 0.00 0.00 0.00 175.76 176.64 1lxc s ALA 255 N -2.48 -1.50 -1.58 0.00 0.00 -1.26 -4.94 121.76 110.00 1lxc s ALA 255 Ca 0.35 1.67 -0.04 0.00 0.00 0.00 0.00 51.96 53.94 1lxc s ALA 255 Cb -0.01 -0.93 0.01 0.00 0.00 0.00 0.00 23.12 22.19 1lxc s ALA 255 CO 0.20 -0.29 0.59 -1.33 0.00 0.00 0.00 175.76 174.93 1lxc n MET 256 N 2.63 -4.80 0.17 0.00 2.81 -1.26 -4.90 117.12 111.77 1lxc n MET 256 Ca -0.14 0.92 0.04 0.00 -1.81 0.00 0.00 57.70 56.71 1lxc n MET 256 Cb 0.56 -5.78 0.22 0.00 -0.71 0.00 0.00 33.22 27.50 1lxc n MET 256 CO 0.00 0.00 0.00 -0.91 1.51 0.00 0.00 175.97 176.57 1lxc h ASN 257 N -1.34 0.00 -0.32 7.83 -0.26 -1.92 -3.25 115.58 116.33 1lxc h ASN 257 Ca -0.53 0.00 0.04 0.00 -0.56 0.00 0.00 56.30 55.24 1lxc h ASN 257 Cb 1.37 0.00 -0.04 0.00 -1.06 0.00 0.00 38.32 38.59 1lxc h ASN 257 CO 0.57 0.45 0.10 1.05 -1.06 0.00 0.00 177.43 178.54 1lxc h GLU 258 N 0.00 0.22 0.00 0.81 9.09 -1.94 -3.47 114.58 119.29 1lxc h GLU 258 Ca -0.00 -0.01 0.00 0.00 0.05 0.00 0.00 59.36 59.39 1lxc h GLU 258 Cb 1.09 -0.05 0.00 0.00 -1.65 0.00 0.00 28.75 28.14 1lxc h GLU 258 CO 0.06 0.15 0.00 1.28 0.05 0.00 0.00 179.01 180.55