#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 0.00 1.61 1.16 -1.21 -1.95 117.46 117.08 1lxc n PHE 3 Ca 0.00 0.00 0.02 0.00 -1.87 0.00 0.00 57.45 55.60 1lxc n PHE 3 Cb 0.00 0.00 0.04 0.00 -1.61 0.00 0.00 39.48 37.91 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 -0.63 1.99 -4.67 5.98 4.77 -0.73 -4.41 117.00 119.30 1lxc n LEU 4 Ca 0.04 -1.72 -0.48 0.00 -0.03 0.00 0.00 56.01 53.82 1lxc n LEU 4 Cb 0.02 -0.05 -0.05 0.00 -2.33 0.00 0.00 43.42 41.01 1lxc n LEU 4 CO 0.03 0.49 1.29 -1.20 -1.33 0.00 0.00 177.39 176.67 1lxc n SER 5 N -0.09 3.04 0.00 -1.43 7.64 -0.82 -1.54 113.62 120.41 1lxc n SER 5 Ca 0.03 1.04 0.00 0.00 1.01 0.00 0.00 58.87 60.95 1lxc n SER 5 Cb 0.24 -1.36 0.00 0.00 -1.01 0.00 0.00 64.21 62.08 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 3.78 0.76 3.91 0.23 0.00 -1.23 -4.99 105.19 107.65 1lxc n GLY 6 Ca 0.20 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.37 3.45 -0.22 1.61 -0.14 -0.59 -5.00 119.74 118.49 1lxc s LYS 7 Ca 0.00 -0.37 0.02 0.00 -1.36 0.00 0.00 55.97 54.26 1lxc s LYS 7 Cb 0.00 -3.06 0.04 0.00 -1.68 0.00 0.00 37.83 33.13 1lxc s LYS 7 CO 0.00 0.63 -0.14 1.03 -0.76 0.00 0.00 175.35 176.11 1lxc s ARG 8 N -2.27 2.51 -0.07 1.68 0.52 -1.26 -1.45 118.95 118.60 1lxc s ARG 8 Ca 0.32 -1.06 0.05 0.00 -0.52 0.00 0.00 55.73 54.52 1lxc s ARG 8 Cb -0.13 -2.68 -0.00 0.00 0.52 0.00 0.00 34.95 32.66 1lxc s ARG 8 CO 0.24 -0.40 -0.22 0.42 0.02 0.00 0.00 175.30 175.36 1lxc s ILE 9 N 1.23 1.84 -0.10 1.52 -1.09 -0.72 -0.17 121.20 123.70 1lxc s ILE 9 Ca -0.02 -0.92 -0.16 0.00 -2.23 0.00 0.00 60.65 57.32 1lxc s ILE 9 Cb -0.17 -1.58 -0.05 0.00 -1.58 0.00 0.00 42.46 39.09 1lxc s ILE 9 CO -0.09 0.51 0.40 -0.22 -1.23 0.00 0.00 174.94 174.31 1lxc s LEU 10 N 0.11 4.32 -0.20 2.97 2.96 -1.03 -2.04 118.68 125.78 1lxc s LEU 10 Ca -0.09 0.76 0.01 0.00 -0.22 0.00 0.00 54.13 54.59 1lxc s LEU 10 Cb -0.15 -2.56 0.03 0.00 0.50 0.00 0.00 46.19 44.01 1lxc s LEU 10 CO 0.05 0.13 -0.17 -0.69 -1.32 0.00 0.00 176.35 174.35 1lxc s VAL 11 N 0.07 2.04 0.46 1.68 1.01 0.15 0.05 120.40 125.85 1lxc s VAL 11 Ca 0.22 -1.08 0.08 0.00 0.00 0.00 0.00 61.98 61.21 1lxc s VAL 11 Cb -0.15 -1.92 0.03 0.00 0.00 0.00 0.00 36.38 34.34 1lxc s VAL 11 CO 0.09 0.39 0.62 0.42 0.00 0.00 0.00 175.10 176.62 1lxc s THR 12 N 1.26 2.76 -0.10 3.92 -4.23 -0.86 -2.87 115.64 115.52 1lxc s THR 12 Ca 0.02 -1.02 0.00 0.00 -1.18 0.00 0.00 61.69 59.51 1lxc s THR 12 Cb -0.15 -2.77 0.00 0.00 1.34 0.00 0.00 72.50 70.92 1lxc s THR 12 CO -0.11 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.58 1lxc n GLY 13 N -1.94 0.39 3.55 3.99 0.00 -1.26 -4.15 105.19 105.78 1lxc n GLY 13 Ca 0.10 -0.08 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.70 4.01 -0.13 1.61 1.01 -1.26 -4.56 120.40 119.38 1lxc s VAL 14 Ca 0.00 0.56 0.13 0.00 0.00 0.00 0.00 61.98 62.67 1lxc s VAL 14 Cb 0.00 -4.75 -0.18 0.00 0.00 0.00 0.00 36.38 31.45 1lxc s VAL 14 CO 0.00 -1.47 0.06 0.00 0.00 0.00 0.00 175.10 173.69 1lxc n ALA 15 N 8.51 1.69 -3.00 5.51 0.00 -1.26 -4.92 120.51 127.04 1lxc n ALA 15 Ca 0.05 -0.91 0.00 0.00 0.00 0.00 0.00 53.44 52.58 1lxc n ALA 15 Cb 0.48 -0.07 0.00 0.00 0.00 0.00 0.00 19.45 19.86 1lxc n ALA 15 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1lxc n SER 16 N -2.50 0.00 0.13 0.00 3.41 -1.26 -4.99 113.62 108.40 1lxc n SER 16 Ca -0.22 -0.74 0.13 0.00 -0.26 0.00 0.00 58.87 57.78 1lxc n SER 16 Cb 0.93 0.00 0.31 0.00 -0.26 0.00 0.00 64.21 65.19 1lxc n SER 16 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1lxc h LYS 17 N 0.00 0.00 0.00 4.33 6.56 -2.00 -3.11 116.57 122.35 1lxc h LYS 17 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 1lxc h LYS 17 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.66 1lxc h LYS 17 CO 0.00 0.00 -0.64 1.28 -2.06 0.00 0.00 179.45 178.03 1lxc n LEU 18 N -2.45 0.59 -4.76 2.94 4.77 -1.26 -4.70 117.00 112.13 1lxc n LEU 18 Ca 0.05 -0.02 -0.41 0.00 -0.03 0.00 0.00 56.01 55.59 1lxc n LEU 18 Cb 0.46 -0.19 -0.01 0.00 -2.33 0.00 0.00 43.42 41.34 1lxc n LEU 18 CO 0.32 0.10 1.16 -0.44 -1.33 0.00 0.00 177.39 177.20 1lxc s SER 19 N -3.29 6.46 0.26 -1.43 0.01 -1.18 -4.71 113.70 109.82 1lxc s SER 19 Ca 0.09 2.90 -0.03 0.00 1.31 0.00 0.00 55.95 60.22 1lxc s SER 19 Cb 0.16 -2.64 0.42 0.00 0.21 0.00 0.00 66.02 64.17 1lxc s SER 19 CO 0.73 -0.82 1.86 0.40 0.41 0.00 0.00 173.24 175.82 1lxc h ILE 20 N 3.26 1.02 -0.69 1.44 2.04 -1.91 0.15 117.51 122.82 1lxc h ILE 20 Ca -0.48 -0.36 0.10 0.00 1.00 0.00 0.00 64.86 65.12 1lxc h ILE 20 Cb 1.23 -0.12 -0.04 0.00 -0.74 0.00 0.00 36.82 37.14 1lxc h ILE 20 CO 0.73 0.19 0.46 0.00 0.00 0.00 0.00 178.15 179.53 1lxc h ALA 21 N 1.46 1.93 -0.13 1.87 0.00 -1.86 -0.08 119.26 122.45 1lxc h ALA 21 Ca 0.43 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.31 1lxc h ALA 21 Cb 0.25 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1lxc h ALA 21 CO -0.20 -0.09 0.01 -0.92 0.00 0.00 0.00 179.25 178.05 1lxc h TYR 22 N 0.53 0.24 -0.06 0.00 3.20 -0.96 0.37 116.97 120.29 1lxc h TYR 22 Ca 0.32 -0.04 -0.03 0.00 3.14 0.00 0.00 58.73 62.12 1lxc h TYR 22 Cb 0.55 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.74 1lxc h TYR 22 CO -0.00 0.44 -0.12 0.78 -1.64 0.00 0.00 178.16 177.61 1lxc h GLY 23 N -0.02 0.10 0.66 1.82 0.00 -0.79 0.20 103.07 105.04 1lxc h GLY 23 Ca 0.04 -0.05 -0.09 0.00 0.00 0.00 0.00 47.33 47.23 1lxc h GLY 23 CO 0.00 0.05 -0.30 -2.22 0.00 0.00 0.00 176.54 174.08 1lxc h ILE 24 N 0.09 1.43 -0.39 2.60 2.04 -0.84 -2.19 117.51 120.25 1lxc h ILE 24 Ca 0.02 -1.72 -0.00 0.00 1.00 0.00 0.00 64.86 64.16 1lxc h ILE 24 Cb 0.28 2.35 -0.02 0.00 -0.74 0.00 0.00 36.82 38.69 1lxc h ILE 24 CO 0.02 0.49 0.24 0.00 0.00 0.00 0.00 178.15 178.90 1lxc h ALA 25 N 0.42 0.50 -0.47 1.87 0.00 -0.51 0.35 119.26 121.42 1lxc h ALA 25 Ca -0.02 -0.05 0.09 0.00 0.00 0.00 0.00 54.91 54.93 1lxc h ALA 25 Cb 0.95 -0.16 -0.08 0.00 0.00 0.00 0.00 17.79 18.50 1lxc h ALA 25 CO 0.06 -0.01 -0.04 0.37 0.00 0.00 0.00 179.25 179.63 1lxc h GLN 26 N 0.52 0.07 -0.02 0.00 4.15 -0.62 0.40 115.11 119.61 1lxc h GLN 26 Ca 0.14 -0.00 -0.16 0.00 0.77 0.00 0.00 58.65 59.40 1lxc h GLN 26 Cb -0.01 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 27.65 1lxc h GLN 26 CO -0.03 0.05 -0.72 0.00 -1.93 0.00 0.00 178.83 176.20 1lxc h ALA 27 N 1.43 0.76 -0.17 3.38 0.00 -0.98 -2.58 119.26 121.10 1lxc h ALA 27 Ca 0.23 -0.64 -0.19 0.00 0.00 0.00 0.00 54.91 54.31 1lxc h ALA 27 Cb 0.35 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1lxc h ALA 27 CO -0.42 0.85 -0.67 0.52 0.00 0.00 0.00 179.25 179.53 1lxc h MET 28 N 0.07 0.66 -0.22 0.00 2.86 -0.36 -2.87 114.93 115.07 1lxc h MET 28 Ca -0.02 -0.48 -0.01 0.00 -2.06 0.00 0.00 59.70 57.13 1lxc h MET 28 Cb 1.27 0.08 -0.01 0.00 0.06 0.00 0.00 31.60 33.01 1lxc h MET 28 CO 0.10 1.10 0.11 1.25 1.06 0.00 0.00 176.91 180.53 1lxc h HIS 29 N 0.48 0.31 -0.68 -0.22 6.17 -0.93 -2.15 115.15 118.13 1lxc h HIS 29 Ca -0.02 -0.02 0.17 0.00 0.71 0.00 0.00 60.37 61.21 1lxc h HIS 29 Cb 1.26 -0.10 -0.04 0.00 2.52 0.00 0.00 27.41 31.05 1lxc h HIS 29 CO 0.06 0.31 0.47 -0.09 0.71 0.00 0.00 177.93 179.40 1lxc h ARG 30 N 0.22 0.19 -0.55 5.26 2.43 -1.43 0.13 114.38 120.64 1lxc h ARG 30 Ca 0.08 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 1lxc h ARG 30 Cb 0.12 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.62 1lxc h ARG 30 CO -0.01 0.13 0.00 0.39 -1.51 0.00 0.00 179.97 178.97 1lxc n GLU 31 N -4.42 2.36 -0.80 0.20 -0.58 -0.86 -4.67 120.64 111.87 1lxc n GLU 31 Ca 0.13 -1.49 0.00 0.00 -0.42 0.00 0.00 57.16 55.38 1lxc n GLU 31 Cb 0.62 -1.54 0.00 0.00 -0.57 0.00 0.00 31.44 29.94 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 0.79 0.51 3.83 0.62 0.00 0.46 -1.77 105.19 109.63 1lxc n GLY 32 Ca 0.14 -0.82 -0.37 0.00 0.00 0.00 0.00 46.02 44.96 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 3.66 0.01 4.61 0.00 -0.91 -3.51 121.76 123.62 1lxc s ALA 33 Ca 0.00 -0.16 -0.26 0.00 0.00 0.00 0.00 51.96 51.54 1lxc s ALA 33 Cb 0.00 -2.45 -0.04 0.00 0.00 0.00 0.00 23.12 20.62 1lxc s ALA 33 CO 0.00 0.47 0.81 -1.21 0.00 0.00 0.00 175.76 175.83 1lxc s GLU 34 N -1.31 4.51 0.31 0.00 2.02 -0.53 -4.42 118.70 119.28 1lxc s GLU 34 Ca 0.28 1.12 0.09 0.00 0.02 0.00 0.00 54.97 56.48 1lxc s GLU 34 Cb -0.17 -3.41 -0.05 0.00 0.10 0.00 0.00 34.13 30.60 1lxc s GLU 34 CO 0.16 0.14 0.04 -0.51 0.02 0.00 0.00 175.26 175.11 1lxc s LEU 35 N 0.43 3.12 -0.05 1.80 1.43 -1.26 -1.76 118.68 122.39 1lxc s LEU 35 Ca 0.42 -0.81 -0.06 0.00 -1.03 0.00 0.00 54.13 52.65 1lxc s LEU 35 Cb -0.20 -1.58 0.01 0.00 0.03 0.00 0.00 46.19 44.45 1lxc s LEU 35 CO 0.23 -0.16 0.16 0.00 0.23 0.00 0.00 176.35 176.81 1lxc s ALA 36 N -2.42 -0.39 0.24 4.21 0.00 -0.86 -4.70 121.76 117.82 1lxc s ALA 36 Ca 0.34 0.36 0.08 0.00 0.00 0.00 0.00 51.96 52.74 1lxc s ALA 36 Cb -0.03 -0.21 -0.05 0.00 0.00 0.00 0.00 23.12 22.83 1lxc s ALA 36 CO 0.20 -0.10 -0.13 -0.06 0.00 0.00 0.00 175.76 175.68 1lxc s PHE 37 N -0.16 1.86 0.19 0.00 0.40 0.16 0.30 117.98 120.72 1lxc s PHE 37 Ca -0.03 -0.58 0.07 0.00 -0.60 0.00 0.00 56.93 55.80 1lxc s PHE 37 Cb -0.02 -0.91 -0.04 0.00 0.51 0.00 0.00 43.02 42.55 1lxc s PHE 37 CO 0.00 0.38 -0.15 0.95 0.70 0.00 0.00 175.22 177.11 1lxc s THR 38 N -2.92 1.67 -0.02 0.64 -4.23 -1.14 -0.88 115.64 108.77 1lxc s THR 38 Ca 0.25 -2.11 -0.00 0.00 -1.18 0.00 0.00 61.69 58.65 1lxc s THR 38 Cb 0.00 -1.95 0.02 0.00 1.34 0.00 0.00 72.50 71.91 1lxc s THR 38 CO 0.09 -0.55 0.03 -0.72 -0.54 0.00 0.00 174.62 172.94 1lxc s TYR 39 N -2.77 -0.00 0.08 3.99 1.13 -0.42 -4.56 117.35 114.80 1lxc s TYR 39 Ca 0.20 0.11 -0.35 0.00 -1.41 0.00 0.00 57.07 55.62 1lxc s TYR 39 Cb -0.02 -0.12 -0.18 0.00 -1.10 0.00 0.00 41.96 40.54 1lxc s TYR 39 CO 0.06 -0.06 1.59 0.37 -2.51 0.00 0.00 175.55 175.00 1lxc h GLN 40 N 6.78 -0.99 -4.23 -3.49 4.15 -1.91 -1.38 115.11 114.05 1lxc h GLN 40 Ca -0.36 0.07 -0.13 0.00 0.77 0.00 0.00 58.65 59.00 1lxc h GLN 40 Cb 1.16 0.23 -0.15 0.00 0.21 0.00 0.00 27.48 28.93 1lxc h GLN 40 CO 0.49 -0.66 -0.63 0.54 -1.93 0.00 0.00 178.83 176.63 1lxc s ASN 41 N -4.32 0.40 0.37 -0.69 2.20 -1.26 -4.32 114.94 107.32 1lxc s ASN 41 Ca -0.18 -1.01 0.22 0.00 -0.94 0.00 0.00 52.86 50.95 1lxc s ASN 41 Cb 0.04 0.24 1.33 0.00 -2.00 0.00 0.00 41.25 40.86 1lxc s ASN 41 CO 0.61 -0.65 1.52 0.47 -2.94 0.00 0.00 177.10 176.12 1lxc n ASP 42 N 0.04 0.31 0.00 3.54 8.00 -1.26 -0.06 116.55 127.12 1lxc n ASP 42 Ca -0.12 1.56 0.00 0.00 0.71 0.00 0.00 54.79 56.94 1lxc n ASP 42 Cb 0.62 -0.76 0.00 0.00 -0.02 0.00 0.00 41.12 40.96 1lxc n ASP 42 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 1lxc n LYS 43 N -5.09 0.00 0.00 -1.24 4.81 -1.26 -1.52 118.16 113.86 1lxc n LYS 43 Ca 0.37 0.31 0.00 0.00 -0.87 0.00 0.00 58.31 58.13 1lxc n LYS 43 Cb 1.29 -1.68 0.00 0.00 0.02 0.00 0.00 35.03 34.66 1lxc n LYS 43 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1lxc n LEU 44 N -1.31 0.00 -0.25 3.14 4.32 0.91 -4.83 117.00 118.98 1lxc n LEU 44 Ca 0.00 -0.05 -0.06 0.00 -0.02 0.00 0.00 56.01 55.87 1lxc n LEU 44 Cb 0.18 0.00 -0.06 0.00 -1.62 0.00 0.00 43.42 41.92 1lxc n LEU 44 CO 0.00 0.00 0.41 1.17 -1.22 0.00 0.00 177.39 177.75 1lxc n LYS 45 N -1.17 -0.26 0.02 3.23 4.81 -0.57 0.06 118.16 124.28 1lxc n LYS 45 Ca 0.00 1.15 -0.10 0.00 -0.87 0.00 0.00 58.31 58.48 1lxc n LYS 45 Cb 0.00 -1.69 -0.04 0.00 0.02 0.00 0.00 35.03 33.31 1lxc n LYS 45 CO 0.00 0.00 0.00 0.78 1.17 0.00 0.00 177.40 179.35 1lxc h GLY 46 N 0.00 -0.05 1.19 3.14 0.00 -1.90 -0.33 103.07 105.13 1lxc h GLY 46 Ca 0.09 0.12 0.06 0.00 0.00 0.00 0.00 47.33 47.60 1lxc h GLY 46 CO -0.56 -0.11 0.38 3.21 0.00 0.00 0.00 176.54 179.47 1lxc h ARG 47 N -0.13 0.52 0.14 4.80 2.47 -1.47 -1.86 114.38 118.84 1lxc h ARG 47 Ca 0.06 -0.03 -0.28 0.00 -1.26 0.00 0.00 59.98 58.47 1lxc h ARG 47 Cb 0.22 -0.12 0.01 0.00 -1.65 0.00 0.00 29.97 28.43 1lxc h ARG 47 CO -0.15 0.34 -1.25 0.28 0.56 0.00 0.00 179.97 179.76 1lxc h VAL 48 N 0.54 1.45 -0.33 2.04 2.07 0.04 -3.12 116.25 118.93 1lxc h VAL 48 Ca 0.25 -2.93 -0.02 0.00 0.82 0.00 0.00 66.70 64.82 1lxc h VAL 48 Cb 0.31 2.90 -0.02 0.00 -1.52 0.00 0.00 31.29 32.96 1lxc h VAL 48 CO -0.07 0.86 0.11 -0.33 0.02 0.00 0.00 177.57 178.16 1lxc h GLU 49 N 0.11 0.47 0.21 1.57 5.08 -0.30 -1.70 114.58 120.01 1lxc h GLU 49 Ca -0.15 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.14 1lxc h GLU 49 Cb 1.96 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 31.12 1lxc h GLU 49 CO 0.21 0.41 -0.10 0.93 -1.00 0.00 0.00 179.01 179.47 1lxc h GLU 50 N 0.47 -0.27 -0.75 2.33 5.08 -1.36 -1.07 114.58 119.01 1lxc h GLU 50 Ca 0.12 0.02 0.09 0.00 -1.00 0.00 0.00 59.36 58.58 1lxc h GLU 50 Cb 0.13 0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.39 1lxc h GLU 50 CO -0.01 -0.03 0.49 0.74 -1.00 0.00 0.00 179.01 179.21 1lxc h PHE 51 N -0.48 0.73 -0.44 4.33 0.04 -1.42 -1.92 116.94 117.78 1lxc h PHE 51 Ca -0.03 0.02 -0.05 0.00 2.80 0.00 0.00 57.97 60.71 1lxc h PHE 51 Cb 0.36 -0.24 -0.02 0.00 2.20 0.00 0.00 35.95 38.26 1lxc h PHE 51 CO -0.01 0.35 0.09 0.00 -0.60 0.00 0.00 178.31 178.15 1lxc h ALA 52 N 1.61 0.58 -0.45 2.45 0.00 -0.99 -3.01 119.26 119.44 1lxc h ALA 52 Ca 0.34 -0.21 0.05 0.00 0.00 0.00 0.00 54.91 55.10 1lxc h ALA 52 Cb 0.43 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.00 1lxc h ALA 52 CO -0.12 0.28 0.17 0.00 0.00 0.00 0.00 179.25 179.57 1lxc h ALA 53 N 0.95 0.55 -0.11 0.00 0.00 -0.39 -0.06 119.26 120.21 1lxc h ALA 53 Ca 0.14 0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.13 1lxc h ALA 53 Cb 0.35 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 1lxc h ALA 53 CO 0.00 -0.21 0.25 1.96 0.00 0.00 0.00 179.25 181.26 1lxc h GLN 54 N 0.35 0.00 -0.49 0.00 4.20 -1.37 -0.63 115.11 117.17 1lxc h GLN 54 Ca 0.21 0.00 -0.27 0.00 0.06 0.00 0.00 58.65 58.65 1lxc h GLN 54 Cb 0.19 0.00 -0.16 0.00 0.30 0.00 0.00 27.48 27.81 1lxc h GLN 54 CO -0.20 0.00 0.02 1.28 -0.67 0.00 0.00 178.83 179.25 1lxc n LEU 55 N -3.28 4.70 -3.25 1.46 4.77 -0.20 -4.94 117.00 116.26 1lxc n LEU 55 Ca 0.00 -3.85 -0.24 0.00 -0.03 0.00 0.00 56.01 51.89 1lxc n LEU 55 Cb 0.34 -0.67 0.04 0.00 -2.33 0.00 0.00 43.42 40.80 1lxc n LEU 55 CO 0.20 1.31 0.04 0.61 -1.33 0.00 0.00 177.39 178.22 1lxc n GLY 56 N -1.10 -0.52 3.05 -0.72 0.00 -0.24 -4.67 105.19 100.98 1lxc n GLY 56 Ca 0.39 0.15 -0.22 0.00 0.00 0.00 0.00 46.02 46.35 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 -2.86 1.46 -0.06 1.61 0.15 -0.23 -4.83 113.70 108.95 1lxc s SER 57 Ca 0.40 -0.23 0.08 0.00 0.70 0.00 0.00 55.95 56.91 1lxc s SER 57 Cb -0.19 -0.32 0.13 0.00 -1.71 0.00 0.00 66.02 63.93 1lxc s SER 57 CO 0.49 0.11 1.01 -0.90 1.20 0.00 0.00 173.24 175.15 1lxc n ASP 58 N 3.11 1.61 -4.35 5.45 5.75 -1.26 -2.72 116.55 124.13 1lxc n ASP 58 Ca -0.17 -2.37 -0.46 0.00 -0.01 0.00 0.00 54.79 51.78 1lxc n ASP 58 Cb 0.54 -0.22 -0.01 0.00 -1.03 0.00 0.00 41.12 40.40 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 -1.56 5.66 -0.36 2.12 1.01 -1.26 -4.96 121.20 121.85 1lxc s ILE 59 Ca 0.14 -2.79 0.04 0.00 0.00 0.00 0.00 60.65 58.04 1lxc s ILE 59 Cb 0.12 -4.58 0.10 0.00 0.01 0.00 0.00 42.46 38.12 1lxc s ILE 59 CO 0.01 -1.17 0.08 -0.69 0.00 0.00 0.00 174.94 173.17 1lxc s VAL 60 N -0.10 2.20 -0.00 2.92 1.01 -1.26 -0.66 120.40 124.51 1lxc s VAL 60 Ca 0.26 -2.39 -0.00 0.00 0.00 0.00 0.00 61.98 59.84 1lxc s VAL 60 Cb -0.09 -2.62 -0.04 0.00 0.00 0.00 0.00 36.38 33.63 1lxc s VAL 60 CO -0.08 -0.63 0.08 -0.76 0.00 0.00 0.00 175.10 173.71 1lxc s LEU 61 N 0.81 3.90 0.31 3.92 1.43 -0.06 -4.97 118.68 124.02 1lxc s LEU 61 Ca 0.12 0.14 -0.14 0.00 -1.03 0.00 0.00 54.13 53.22 1lxc s LEU 61 Cb -0.20 -2.29 -0.09 0.00 0.03 0.00 0.00 46.19 43.65 1lxc s LEU 61 CO -0.08 0.27 0.70 -1.58 0.23 0.00 0.00 176.35 175.88 1lxc s GLN 62 N -1.77 3.96 -0.30 1.70 0.74 -1.26 -1.30 119.66 121.42 1lxc s GLN 62 Ca 0.23 0.58 -0.14 0.00 0.05 0.00 0.00 55.36 56.08 1lxc s GLN 62 Cb -0.12 -2.47 0.16 0.00 1.10 0.00 0.00 33.01 31.67 1lxc s GLN 62 CO 0.14 0.18 0.93 0.00 -0.55 0.00 0.00 175.29 176.00 1lxc s ASP 64 N 2.34 5.68 0.00 0.00 -1.08 -1.26 -4.10 116.67 118.25 1lxc s ASP 64 Ca -0.04 -1.37 0.09 0.00 -0.52 0.00 0.00 52.55 50.71 1lxc s ASP 64 Cb -0.07 -2.00 0.46 0.00 -1.46 0.00 0.00 42.92 39.85 1lxc s ASP 64 CO -0.17 -0.51 1.18 1.33 0.52 0.00 0.00 175.17 177.52 1lxc n VAL 65 N 4.95 0.84 0.26 1.11 0.24 -1.26 -1.42 118.33 123.05 1lxc n VAL 65 Ca -0.11 0.21 0.13 0.00 -2.04 0.00 0.00 64.34 62.54 1lxc n VAL 65 Cb 0.44 -1.06 0.31 0.00 -1.47 0.00 0.00 33.84 32.06 1lxc n VAL 65 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1lxc h ALA 66 N 2.43 1.00 -3.20 2.33 0.00 -1.93 -3.44 119.26 116.44 1lxc h ALA 66 Ca 0.00 0.00 -0.66 0.00 0.00 0.00 0.00 54.91 54.25 1lxc h ALA 66 Cb 0.09 0.00 -0.28 0.00 0.00 0.00 0.00 17.79 17.61 1lxc h ALA 66 CO 0.00 0.00 -0.76 -1.21 0.00 0.00 0.00 179.25 177.28 1lxc s GLU 67 N -3.32 3.35 0.11 0.00 0.41 -0.51 -5.01 118.70 113.73 1lxc s GLU 67 Ca 0.06 -0.68 -0.18 0.00 -0.41 0.00 0.00 54.97 53.76 1lxc s GLU 67 Cb 0.06 -2.74 -0.06 0.00 -1.78 0.00 0.00 34.13 29.61 1lxc s GLU 67 CO 0.63 0.05 1.66 -0.44 -0.49 0.00 0.00 175.26 176.67 1lxc h ASP 68 N 7.23 0.37 -0.99 -0.19 3.32 -1.84 -2.54 116.42 121.79 1lxc h ASP 68 Ca -0.32 -0.16 0.14 0.00 0.02 0.00 0.00 57.03 56.71 1lxc h ASP 68 Cb 1.19 -0.10 -0.09 0.00 0.22 0.00 0.00 39.33 40.55 1lxc h ASP 68 CO 0.58 0.43 0.61 0.00 -1.72 0.00 0.00 179.24 179.13 1lxc h ALA 69 N 0.96 1.53 -0.32 3.45 0.00 -1.95 0.26 119.26 123.18 1lxc h ALA 69 Ca 0.09 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 1lxc h ALA 69 Cb 0.17 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1lxc h ALA 69 CO -0.01 0.13 0.09 1.03 0.00 0.00 0.00 179.25 180.49 1lxc h SER 70 N 0.90 0.48 -0.65 0.00 0.87 -1.75 -0.45 113.55 112.95 1lxc h SER 70 Ca 0.51 -0.22 -0.06 0.00 -1.23 0.00 0.00 61.79 60.80 1lxc h SER 70 Cb 0.60 -0.13 -0.03 0.00 -0.44 0.00 0.00 62.40 62.41 1lxc h SER 70 CO -0.30 0.57 0.18 0.40 -0.53 0.00 0.00 176.83 177.15 1lxc h ILE 71 N 0.37 1.25 -0.59 2.23 2.04 -0.86 -0.21 117.51 121.74 1lxc h ILE 71 Ca 0.10 -0.90 -0.06 0.00 1.00 0.00 0.00 64.86 65.00 1lxc h ILE 71 Cb 0.27 0.60 -0.02 0.00 -0.74 0.00 0.00 36.82 36.92 1lxc h ILE 71 CO -0.00 0.34 0.14 0.44 0.00 0.00 0.00 178.15 179.08 1lxc h ASP 72 N 0.96 0.90 -0.63 1.72 3.32 -0.84 -2.02 116.42 119.82 1lxc h ASP 72 Ca 0.21 -0.23 -0.05 0.00 0.02 0.00 0.00 57.03 56.98 1lxc h ASP 72 Cb 0.33 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.62 1lxc h ASP 72 CO -0.00 0.90 0.21 0.74 -1.72 0.00 0.00 179.24 179.36 1lxc h THR 73 N 0.86 1.25 -0.27 0.35 2.02 -0.76 -1.27 112.91 115.08 1lxc h THR 73 Ca 0.19 -0.83 -0.01 0.00 0.77 0.00 0.00 66.41 66.53 1lxc h THR 73 Cb 0.35 0.59 -0.01 0.00 -1.74 0.00 0.00 68.15 67.33 1lxc h THR 73 CO 0.00 0.32 0.14 -0.03 0.37 0.00 0.00 175.52 176.32 1lxc h MET 74 N 0.91 0.39 0.00 6.66 1.85 -0.81 -1.81 114.93 122.12 1lxc h MET 74 Ca 0.21 -0.05 -0.00 0.00 -0.61 0.00 0.00 59.70 59.24 1lxc h MET 74 Cb 0.28 -0.07 -0.00 0.00 0.43 0.00 0.00 31.60 32.24 1lxc h MET 74 CO -0.01 0.37 -0.01 0.74 -0.40 0.00 0.00 176.91 177.60 1lxc h PHE 75 N 0.31 0.00 -0.04 1.39 0.04 -1.21 0.35 116.94 117.77 1lxc h PHE 75 Ca 0.09 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.84 1lxc h PHE 75 Cb 0.11 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.26 1lxc h PHE 75 CO -0.02 0.01 -0.06 0.00 -0.60 0.00 0.00 178.31 177.64 1lxc h ALA 76 N 1.99 0.07 0.28 2.45 0.00 -0.57 -0.11 119.26 123.37 1lxc h ALA 76 Ca -0.00 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 1lxc h ALA 76 Cb 0.48 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1lxc h ALA 76 CO 0.00 -0.12 -0.13 0.93 0.00 0.00 0.00 179.25 179.93 1lxc h GLU 77 N -0.37 -0.36 -0.86 0.00 4.39 -0.92 -2.06 114.58 114.40 1lxc h GLU 77 Ca 0.00 0.02 0.17 0.00 0.34 0.00 0.00 59.36 59.90 1lxc h GLU 77 Cb 0.60 0.08 -0.11 0.00 -0.10 0.00 0.00 28.75 29.22 1lxc h GLU 77 CO 0.01 -0.24 0.41 1.25 -1.16 0.00 0.00 179.01 179.29 1lxc h LEU 78 N -0.38 0.43 -1.07 1.33 5.85 -0.94 0.93 115.31 121.46 1lxc h LEU 78 Ca -0.04 0.12 0.13 0.00 0.84 0.00 0.00 57.88 58.93 1lxc h LEU 78 Cb 0.29 0.06 -0.08 0.00 0.37 0.00 0.00 40.66 41.30 1lxc h LEU 78 CO 0.06 0.13 0.62 1.23 -0.34 0.00 0.00 178.44 180.14 1lxc h GLY 79 N 0.53 1.57 0.44 3.75 0.00 -0.30 0.93 103.07 109.99 1lxc h GLY 79 Ca 0.49 -0.39 0.13 0.00 0.00 0.00 0.00 47.33 47.56 1lxc h GLY 79 CO -0.43 0.12 0.62 0.50 0.00 0.00 0.00 176.54 177.36 1lxc h LYS 80 N 0.91 0.91 0.00 4.80 1.57 -0.49 -1.57 116.57 122.69 1lxc h LYS 80 Ca 0.50 -0.05 -0.20 0.00 -1.87 0.00 0.00 60.65 59.02 1lxc h LYS 80 Cb 0.59 -0.20 -0.04 0.00 0.08 0.00 0.00 32.23 32.65 1lxc h LYS 80 CO -0.27 0.60 -2.18 1.55 -0.57 0.00 0.00 179.45 178.58 1lxc n VAL 81 N -4.63 0.75 -3.39 0.50 3.14 -0.55 -4.71 118.33 109.45 1lxc n VAL 81 Ca 0.19 -0.68 -0.26 0.00 -2.96 0.00 0.00 64.34 60.63 1lxc n VAL 81 Cb 0.39 -0.26 -0.08 0.00 -1.06 0.00 0.00 33.84 32.83 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 -2.51 1.18 0.19 1.45 7.02 0.31 -4.93 117.44 120.16 1lxc n TRP 82 Ca -0.20 -3.79 0.17 0.00 -1.02 0.00 0.00 57.50 52.67 1lxc n TRP 82 Cb 0.88 -0.34 0.69 0.00 -2.42 0.00 0.00 31.31 30.12 1lxc n TRP 82 CO 0.00 0.00 0.00 -1.00 -2.02 0.00 0.00 177.69 174.67 1lxc h PRO 83 N 4.52 0.00 -3.43 -0.99 0.13 -1.49 -3.38 132.00 127.36 1lxc h PRO 83 Ca 0.15 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 65.11 1lxc h PRO 83 Cb 0.80 0.00 -0.25 0.00 0.13 0.00 0.00 31.00 31.69 1lxc h PRO 83 CO 0.59 0.00 -0.54 0.15 -0.23 0.00 0.00 178.00 177.97 1lxc s LYS 84 N -4.32 0.26 0.25 0.86 -0.14 -1.26 -4.77 119.74 110.61 1lxc s LYS 84 Ca -0.03 0.03 0.01 0.00 -1.36 0.00 0.00 55.97 54.61 1lxc s LYS 84 Cb 0.11 0.11 -0.00 0.00 -1.68 0.00 0.00 37.83 36.37 1lxc s LYS 84 CO 0.37 -0.05 0.31 1.97 -0.76 0.00 0.00 175.35 177.19 1lxc n PHE 85 N 2.56 -0.96 -1.45 3.18 -1.74 -1.03 -4.98 117.46 113.03 1lxc n PHE 85 Ca -0.15 -1.87 0.03 0.00 -0.56 0.00 0.00 57.45 54.89 1lxc n PHE 85 Cb 0.58 0.34 0.20 0.00 1.52 0.00 0.00 39.48 42.12 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 -1.86 2.17 0.00 5.98 8.00 0.75 -1.95 116.55 129.65 1lxc n ASP 86 Ca 0.02 -3.72 0.00 0.00 0.71 0.00 0.00 54.79 51.81 1lxc n ASP 86 Cb 0.44 -0.56 0.00 0.00 -0.02 0.00 0.00 41.12 40.98 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 -1.12 1.59 3.33 0.44 0.00 -1.24 -0.88 105.19 107.30 1lxc n GLY 87 Ca 0.24 -2.19 -0.09 0.00 0.00 0.00 0.00 46.02 43.97 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 -1.38 0.19 -0.25 1.61 -0.12 -1.16 -2.46 117.98 114.40 1lxc s PHE 88 Ca 0.00 -0.56 -0.06 0.00 -0.05 0.00 0.00 56.93 56.25 1lxc s PHE 88 Cb 0.00 0.04 -0.02 0.00 -0.63 0.00 0.00 43.02 42.42 1lxc s PHE 88 CO 0.00 -0.70 0.04 0.08 -0.05 0.00 0.00 175.22 174.59 1lxc s VAL 89 N -3.91 3.98 -0.53 -2.49 1.01 0.11 -2.47 120.40 116.10 1lxc s VAL 89 Ca 0.11 -0.36 -0.19 0.00 0.00 0.00 0.00 61.98 61.54 1lxc s VAL 89 Cb 0.03 -2.89 0.07 0.00 0.00 0.00 0.00 36.38 33.59 1lxc s VAL 89 CO -0.05 0.31 0.65 -2.28 0.00 0.00 0.00 175.10 173.73 1lxc s HIS 90 N 1.55 3.03 -0.54 5.22 2.46 0.13 -2.02 115.29 125.12 1lxc s HIS 90 Ca 0.05 -0.65 0.06 0.00 0.47 0.00 0.00 55.06 54.99 1lxc s HIS 90 Cb -0.15 -3.68 0.34 0.00 -0.13 0.00 0.00 32.58 28.96 1lxc s HIS 90 CO 0.01 -1.11 0.90 0.45 -2.47 0.00 0.00 174.74 172.53 1lxc n SER 91 N 6.23 3.75 -3.99 9.88 2.88 -1.26 -2.63 113.62 128.47 1lxc n SER 91 Ca -0.07 -3.55 -0.28 0.00 -1.33 0.00 0.00 58.87 53.64 1lxc n SER 91 Cb 0.45 -0.57 -0.17 0.00 -0.75 0.00 0.00 64.21 63.17 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 -4.04 1.30 -0.11 2.46 1.01 -1.26 -3.98 121.20 116.58 1lxc s ILE 92 Ca 0.47 -0.50 -0.09 0.00 0.00 0.00 0.00 60.65 60.54 1lxc s ILE 92 Cb 0.29 -1.23 0.04 0.00 0.01 0.00 0.00 42.46 41.56 1lxc s ILE 92 CO -0.13 0.41 0.29 -0.83 0.00 0.00 0.00 174.94 174.68 1lxc s GLY 93 N 1.28 -0.20 -0.06 6.18 0.00 -1.26 -4.47 107.32 108.78 1lxc s GLY 93 Ca -0.02 0.92 -0.29 0.00 0.00 0.00 0.00 44.72 45.33 1lxc s GLY 93 CO -0.05 0.94 0.83 -0.12 0.00 0.00 0.00 173.10 174.70 1lxc s PHE 94 N 0.57 -0.47 -0.28 1.90 5.36 -1.26 -4.98 117.98 118.82 1lxc s PHE 94 Ca -0.03 0.67 -0.20 0.00 -0.96 0.00 0.00 56.93 56.40 1lxc s PHE 94 Cb -0.05 0.47 0.09 0.00 -0.34 0.00 0.00 43.02 43.19 1lxc s PHE 94 CO -0.03 -0.52 0.77 0.00 -1.46 0.00 0.00 175.22 173.98 1lxc s ALA 95 N -1.83 -1.90 -0.00 11.12 0.00 -1.26 -4.06 121.76 123.83 1lxc s ALA 95 Ca -0.03 2.21 -0.38 0.00 0.00 0.00 0.00 51.96 53.75 1lxc s ALA 95 Cb -0.00 -1.38 -0.18 0.00 0.00 0.00 0.00 23.12 21.56 1lxc s ALA 95 CO 0.00 -0.35 1.33 -2.30 0.00 0.00 0.00 175.76 174.45 1lxc n PRO 96 N 3.46 0.81 -0.30 0.00 -0.02 -1.26 -4.80 135.00 132.89 1lxc n PRO 96 Ca -0.17 0.29 -0.01 0.00 -2.02 0.00 0.00 63.50 61.59 1lxc n PRO 96 Cb 0.57 -1.90 0.03 0.00 -0.02 0.00 0.00 33.50 32.18 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 2.53 -1.62 0.51 -1.23 0.00 -1.26 -0.16 105.19 103.97 1lxc n GLY 97 Ca 0.20 0.87 0.36 0.00 0.00 0.00 0.00 46.02 47.46 1lxc n GLY 97 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1lxc h ASP 98 N 0.00 0.19 0.14 1.61 2.03 -1.98 -0.01 116.42 118.41 1lxc h ASP 98 Ca 0.27 0.07 -0.06 0.00 -0.73 0.00 0.00 57.03 56.58 1lxc h ASP 98 Cb 0.46 0.05 -0.01 0.00 -0.83 0.00 0.00 39.33 39.00 1lxc h ASP 98 CO -0.77 -0.05 -0.21 1.56 -1.03 0.00 0.00 179.24 178.74 1lxc h GLN 99 N 0.12 0.13 -0.96 4.15 1.08 -0.82 -3.30 115.11 115.52 1lxc h GLN 99 Ca 0.72 -0.04 -0.20 0.00 -1.45 0.00 0.00 58.65 57.69 1lxc h GLN 99 Cb 2.45 -0.02 -0.12 0.00 -0.05 0.00 0.00 27.48 29.74 1lxc h GLN 99 CO -0.22 0.35 0.25 1.28 -0.95 0.00 0.00 178.83 179.54 1lxc n LEU 100 N -4.23 4.47 -3.70 1.46 4.32 -0.02 -4.54 117.00 114.76 1lxc n LEU 100 Ca -0.01 -2.33 -0.11 0.00 -0.02 0.00 0.00 56.01 53.54 1lxc n LEU 100 Cb 0.31 -0.65 -0.11 0.00 -1.62 0.00 0.00 43.42 41.35 1lxc n LEU 100 CO 0.38 0.69 0.06 1.51 -1.22 0.00 0.00 177.39 178.81 1lxc s ASP 101 N -0.15 -0.50 0.00 -1.43 1.47 -1.24 -4.67 116.67 110.15 1lxc s ASP 101 Ca 0.27 0.88 0.00 0.00 1.18 0.00 0.00 52.55 54.88 1lxc s ASP 101 Cb 0.22 0.78 0.00 0.00 -0.34 0.00 0.00 42.92 43.58 1lxc s ASP 101 CO 0.06 -0.18 0.00 0.61 0.68 0.00 0.00 175.17 176.33 1lxc n GLY 102 N 3.99 -0.40 3.45 2.12 0.00 -1.26 -4.80 105.19 108.29 1lxc n GLY 102 Ca -0.21 -1.82 -0.59 0.00 0.00 0.00 0.00 46.02 43.39 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 -0.57 0.12 0.12 1.61 -0.08 -1.26 -4.49 116.55 111.99 1lxc n ASP 103 Ca 0.00 1.14 -0.13 0.00 -1.51 0.00 0.00 54.79 54.28 1lxc n ASP 103 Cb 0.00 -0.90 -0.08 0.00 2.34 0.00 0.00 41.12 42.49 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 3.15 -0.20 -0.58 -0.67 3.20 -1.94 -1.79 116.97 118.13 1lxc h TYR 104 Ca -0.49 -0.00 0.09 0.00 3.14 0.00 0.00 58.73 61.46 1lxc h TYR 104 Cb 1.39 0.07 -0.03 0.00 1.54 0.00 0.00 36.73 39.70 1lxc h TYR 104 CO 0.57 -0.09 0.39 0.28 -1.64 0.00 0.00 178.16 177.66 1lxc h VAL 105 N -0.26 0.92 0.17 1.81 2.07 -1.94 -0.12 116.25 118.89 1lxc h VAL 105 Ca -0.02 -0.15 -0.31 0.00 0.82 0.00 0.00 66.70 67.04 1lxc h VAL 105 Cb 0.21 0.45 0.03 0.00 -1.52 0.00 0.00 31.29 30.45 1lxc h VAL 105 CO 0.04 0.08 -1.33 0.78 0.02 0.00 0.00 177.57 177.16 1lxc h ASN 106 N 0.44 0.82 -0.08 0.57 2.35 -1.90 -3.37 115.58 114.40 1lxc h ASN 106 Ca 0.26 -0.80 -0.03 0.00 -0.55 0.00 0.00 56.30 55.18 1lxc h ASN 106 Cb 0.47 -0.26 -0.00 0.00 0.05 0.00 0.00 38.32 38.57 1lxc h ASN 106 CO -0.07 1.61 -0.08 0.00 -1.65 0.00 0.00 177.43 177.24 1lxc h ALA 107 N 0.29 0.11 -2.65 -0.83 0.00 -0.69 -3.46 119.26 112.03 1lxc h ALA 107 Ca -0.21 -0.29 -0.58 0.00 0.00 0.00 0.00 54.91 53.84 1lxc h ALA 107 Cb 2.01 -0.02 0.15 0.00 0.00 0.00 0.00 17.79 19.93 1lxc h ALA 107 CO 0.25 -0.06 0.07 1.55 0.00 0.00 0.00 179.25 181.05 1lxc n VAL 108 N -4.69 3.05 -3.86 0.00 3.14 -0.12 -4.67 118.33 111.18 1lxc n VAL 108 Ca -0.07 -0.50 -0.11 0.00 -2.96 0.00 0.00 64.34 60.70 1lxc n VAL 108 Cb 0.31 -1.09 -0.09 0.00 -1.06 0.00 0.00 33.84 31.91 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 -1.46 0.10 0.23 1.55 -4.23 -1.26 -5.00 115.64 105.56 1lxc s THR 109 Ca 0.70 -0.82 -0.07 0.00 -1.18 0.00 0.00 61.69 60.33 1lxc s THR 109 Cb -0.47 -0.71 0.20 0.00 1.34 0.00 0.00 72.50 72.86 1lxc s THR 109 CO 0.52 -0.45 1.70 -0.09 -0.54 0.00 0.00 174.62 175.76 1lxc h ARG 110 N 3.81 0.29 -0.44 3.99 2.43 -1.98 0.41 114.38 122.89 1lxc h ARG 110 Ca -0.31 -0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 58.78 1lxc h ARG 110 Cb 1.19 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.66 1lxc h ARG 110 CO 0.45 0.19 0.04 1.49 -1.51 0.00 0.00 179.97 180.63 1lxc h GLU 111 N 0.30 0.75 -0.79 0.20 4.57 -1.99 -0.07 114.58 117.56 1lxc h GLU 111 Ca 0.37 -0.22 0.01 0.00 -1.18 0.00 0.00 59.36 58.34 1lxc h GLU 111 Cb 0.59 -0.08 -0.04 0.00 -0.16 0.00 0.00 28.75 29.06 1lxc h GLU 111 CO -0.44 0.80 0.52 0.78 -1.18 0.00 0.00 179.01 179.49 1lxc h GLY 112 N 0.60 1.12 0.89 1.92 0.00 -1.42 -1.65 103.07 104.53 1lxc h GLY 112 Ca 0.13 -0.41 -0.01 0.00 0.00 0.00 0.00 47.33 47.04 1lxc h GLY 112 CO 0.02 0.39 0.07 -2.75 0.00 0.00 0.00 176.54 174.27 1lxc h PHE 113 N 1.06 0.26 0.39 5.60 3.04 -0.00 -2.22 116.94 125.07 1lxc h PHE 113 Ca 0.30 -0.02 -0.00 0.00 3.98 0.00 0.00 57.97 62.22 1lxc h PHE 113 Cb -0.10 -0.08 -0.03 0.00 2.56 0.00 0.00 35.95 38.30 1lxc h PHE 113 CO -0.02 0.31 -0.48 -0.22 -2.02 0.00 0.00 178.31 175.89 1lxc h LYS 114 N 0.13 -0.86 0.11 1.11 3.11 -0.56 -1.88 116.57 117.71 1lxc h LYS 114 Ca 0.06 0.06 0.01 0.00 -2.81 0.00 0.00 60.65 57.97 1lxc h LYS 114 Cb 0.16 0.20 -0.03 0.00 -1.00 0.00 0.00 32.23 31.56 1lxc h LYS 114 CO -0.01 -0.58 -0.20 0.82 -2.81 0.00 0.00 179.45 176.68 1lxc h ILE 115 N -0.90 0.55 -0.98 2.00 2.04 -1.35 0.74 117.51 119.62 1lxc h ILE 115 Ca -0.04 0.00 0.16 0.00 1.00 0.00 0.00 64.86 65.98 1lxc h ILE 115 Cb 0.81 0.55 -0.09 0.00 -0.74 0.00 0.00 36.82 37.35 1lxc h ILE 115 CO -0.11 0.00 0.61 0.00 0.00 0.00 0.00 178.15 178.65 1lxc h ALA 116 N 0.43 1.68 0.18 1.87 0.00 -1.35 0.41 119.26 122.49 1lxc h ALA 116 Ca 0.03 0.04 -0.31 0.00 0.00 0.00 0.00 54.91 54.66 1lxc h ALA 116 Cb 0.40 -0.14 0.03 0.00 0.00 0.00 0.00 17.79 18.08 1lxc h ALA 116 CO -0.11 0.02 -1.35 0.45 0.00 0.00 0.00 179.25 178.26 1lxc h HIS 117 N 0.82 0.93 0.13 0.00 3.86 -1.02 -2.00 115.15 117.88 1lxc h HIS 117 Ca 0.52 -0.64 -0.01 0.00 -1.16 0.00 0.00 60.37 59.08 1lxc h HIS 117 Cb 0.73 -0.05 0.00 0.00 1.06 0.00 0.00 27.41 29.14 1lxc h HIS 117 CO -0.00 1.49 -0.06 0.22 0.86 0.00 0.00 177.93 180.43 1lxc h ASP 118 N 0.19 -0.15 -0.03 2.45 3.58 -0.15 -0.87 116.42 121.44 1lxc h ASP 118 Ca -0.21 -0.10 -0.12 0.00 0.42 0.00 0.00 57.03 57.02 1lxc h ASP 118 Cb 2.04 0.04 0.01 0.00 1.72 0.00 0.00 39.33 43.13 1lxc h ASP 118 CO 0.25 0.01 -0.44 0.40 -2.88 0.00 0.00 179.24 176.58 1lxc h ILE 119 N -0.30 1.44 0.00 2.25 1.08 -1.07 -2.11 117.51 118.80 1lxc h ILE 119 Ca -0.02 -1.93 0.00 0.00 -0.39 0.00 0.00 64.86 62.52 1lxc h ILE 119 Cb 0.24 2.52 0.00 0.00 -3.07 0.00 0.00 36.82 36.51 1lxc h ILE 119 CO 0.03 0.55 -0.30 0.28 -0.69 0.00 0.00 178.15 178.03 1lxc h SER 120 N -0.18 0.00 0.00 1.72 0.02 -1.46 -3.38 113.55 110.27 1lxc h SER 120 Ca -0.05 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.90 1lxc h SER 120 Cb 1.14 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.68 1lxc h SER 120 CO 0.09 0.00 -0.64 -0.24 -1.14 0.00 0.00 176.83 174.90 1lxc n SER 121 N -2.93 0.25 -0.30 3.07 2.88 -0.45 -4.83 113.62 111.31 1lxc n SER 121 Ca 0.03 0.05 -0.04 0.00 -1.33 0.00 0.00 58.87 57.58 1lxc n SER 121 Cb 0.53 -0.06 0.11 0.00 -0.75 0.00 0.00 64.21 64.04 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 1.17 -0.81 0.66 3.20 -1.03 -2.81 116.97 117.35 1lxc h TYR 122 Ca 0.00 -0.04 0.21 0.00 3.14 0.00 0.00 58.73 62.04 1lxc h TYR 122 Cb 0.64 -0.37 -0.05 0.00 1.54 0.00 0.00 36.73 38.50 1lxc h TYR 122 CO 0.00 0.83 0.56 0.66 -1.64 0.00 0.00 178.16 178.57 1lxc h SER 123 N 1.18 0.18 0.54 -2.11 4.64 -1.57 0.18 113.55 116.59 1lxc h SER 123 Ca 0.29 0.02 -0.02 0.00 -0.47 0.00 0.00 61.79 61.60 1lxc h SER 123 Cb 0.07 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 1lxc h SER 123 CO -0.04 0.08 -0.28 0.15 -0.87 0.00 0.00 176.83 175.87 1lxc h PHE 124 N 0.18 -0.72 0.00 4.77 3.57 -1.79 0.99 116.94 123.95 1lxc h PHE 124 Ca 0.40 -0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.79 1lxc h PHE 124 Cb 1.29 0.24 -0.01 0.00 2.79 0.00 0.00 35.95 40.26 1lxc h PHE 124 CO -0.00 -0.44 -0.46 -0.24 -2.23 0.00 0.00 178.31 174.94 1lxc h VAL 125 N -0.75 1.18 -0.31 1.41 3.04 -1.45 -2.37 116.25 117.00 1lxc h VAL 125 Ca -0.07 -1.65 0.02 0.00 -1.01 0.00 0.00 66.70 63.99 1lxc h VAL 125 Cb 0.59 1.93 -0.03 0.00 -2.01 0.00 0.00 31.29 31.77 1lxc h VAL 125 CO 0.11 0.45 0.15 0.00 -1.01 0.00 0.00 177.57 177.26 1lxc h ALA 126 N 1.54 0.37 -0.29 3.17 0.00 -0.29 0.18 119.26 123.94 1lxc h ALA 126 Ca -0.00 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 1lxc h ALA 126 Cb 0.89 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 1lxc h ALA 126 CO 0.06 -0.24 0.07 0.52 0.00 0.00 0.00 179.25 179.66 1lxc h MET 127 N 0.31 0.47 -0.73 0.00 2.07 -0.52 -2.28 114.93 114.25 1lxc h MET 127 Ca 0.13 -0.11 0.05 0.00 -2.07 0.00 0.00 59.70 57.70 1lxc h MET 127 Cb 0.05 -0.06 -0.05 0.00 -1.87 0.00 0.00 31.60 29.67 1lxc h MET 127 CO -0.10 0.55 0.44 0.00 1.07 0.00 0.00 176.91 178.87 1lxc h ALA 128 N 0.90 0.99 -0.43 6.32 0.00 -1.08 -2.22 119.26 123.74 1lxc h ALA 128 Ca 0.09 0.00 0.05 0.00 0.00 0.00 0.00 54.91 55.05 1lxc h ALA 128 Cb 0.29 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 17.85 1lxc h ALA 128 CO 0.00 0.16 0.16 -0.22 0.00 0.00 0.00 179.25 179.35 1lxc h LYS 129 N 0.81 0.33 0.00 0.00 3.64 -0.43 0.35 116.57 121.26 1lxc h LYS 129 Ca 0.32 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.68 1lxc h LYS 129 Cb 0.15 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 31.89 1lxc h LYS 129 CO -0.16 0.22 0.00 0.00 -2.27 0.00 0.00 179.45 177.23 1lxc h ALA 130 N 1.27 1.00 0.00 5.00 0.00 -0.83 -3.26 119.26 122.44 1lxc h ALA 130 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1lxc h ALA 130 Cb 0.17 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1lxc h ALA 130 CO -0.19 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.06 1lxc h ARG 132 N 0.00 0.44 0.00 0.00 2.43 -0.97 -0.69 114.38 115.58 1lxc h ARG 132 Ca 0.00 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1lxc h ARG 132 Cb 0.57 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.02 1lxc h ARG 132 CO 0.00 0.29 0.00 -1.13 -1.51 0.00 0.00 179.97 177.62 1lxc n SER 133 N -4.99 0.26 -0.05 -3.80 3.41 -1.26 -2.92 113.62 104.27 1lxc n SER 133 Ca 0.12 0.55 0.12 0.00 -0.26 0.00 0.00 58.87 59.40 1lxc n SER 133 Cb 0.35 -0.61 0.24 0.00 -0.26 0.00 0.00 64.21 63.93 1lxc n SER 133 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 1lxc n MET 134 N -1.77 0.16 -2.75 4.33 2.81 -0.27 -4.93 117.12 114.69 1lxc n MET 134 Ca 0.04 -0.10 -0.41 0.00 -1.81 0.00 0.00 57.70 55.42 1lxc n MET 134 Cb 0.24 -1.50 -0.04 0.00 -0.71 0.00 0.00 33.22 31.21 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 -2.91 4.43 0.73 4.03 1.43 -1.15 -2.46 118.68 122.78 1lxc s LEU 135 Ca 0.13 1.68 -0.11 0.00 -1.03 0.00 0.00 54.13 54.80 1lxc s LEU 135 Cb 0.18 -3.53 0.03 0.00 0.03 0.00 0.00 46.19 42.89 1lxc s LEU 135 CO 0.68 -0.15 1.09 0.20 0.23 0.00 0.00 176.35 178.40 1lxc s ASN 136 N 0.48 5.21 0.57 2.29 0.01 -0.82 -4.96 114.94 117.73 1lxc s ASN 136 Ca 0.48 1.25 -0.19 0.00 -0.71 0.00 0.00 52.86 53.69 1lxc s ASN 136 Cb -0.22 -2.05 -0.04 0.00 0.41 0.00 0.00 41.25 39.34 1lxc s ASN 136 CO 0.28 -1.51 1.21 -2.84 -1.51 0.00 0.00 177.10 172.73 1lxc s PRO 137 N -5.26 3.09 0.00 -0.60 0.02 -1.26 -2.29 135.00 128.71 1lxc s PRO 137 Ca 0.59 1.82 0.00 0.00 0.02 0.00 0.00 61.00 63.43 1lxc s PRO 137 Cb -0.12 -2.00 0.00 0.00 0.02 0.00 0.00 34.50 32.40 1lxc s PRO 137 CO 0.53 -1.11 0.00 0.41 -0.33 0.00 0.00 177.00 176.50 1lxc n GLY 138 N 0.48 0.84 3.68 0.52 0.00 0.21 -5.03 105.19 105.89 1lxc n GLY 138 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.82 3.09 -0.03 1.61 0.01 -0.97 -4.88 113.70 109.72 1lxc s SER 139 Ca 0.00 1.72 -0.02 0.00 1.31 0.00 0.00 55.95 58.97 1lxc s SER 139 Cb 0.00 -2.35 0.02 0.00 0.21 0.00 0.00 66.02 63.90 1lxc s SER 139 CO 0.00 -2.91 0.07 0.00 0.41 0.00 0.00 173.24 170.80 1lxc s ALA 140 N -2.78 -0.11 -0.08 1.44 0.00 -0.06 -2.30 121.76 117.87 1lxc s ALA 140 Ca 0.65 0.30 0.02 0.00 0.00 0.00 0.00 51.96 52.92 1lxc s ALA 140 Cb -0.20 -0.20 -0.02 0.00 0.00 0.00 0.00 23.12 22.69 1lxc s ALA 140 CO 0.58 -0.07 -0.12 -0.51 0.00 0.00 0.00 175.76 175.63 1lxc s LEU 141 N 0.53 2.81 -0.01 0.00 1.43 0.04 -2.99 118.68 120.48 1lxc s LEU 141 Ca -0.04 -0.21 0.02 0.00 -1.03 0.00 0.00 54.13 52.87 1lxc s LEU 141 Cb -0.06 -1.60 -0.00 0.00 0.03 0.00 0.00 46.19 44.56 1lxc s LEU 141 CO -0.02 0.28 -0.08 -0.22 0.23 0.00 0.00 176.35 176.54 1lxc s LEU 142 N -0.33 1.93 0.20 1.79 2.96 -1.03 -1.54 118.68 122.66 1lxc s LEU 142 Ca 0.03 -0.15 0.04 0.00 -0.22 0.00 0.00 54.13 53.83 1lxc s LEU 142 Cb -0.13 -0.45 -0.05 0.00 0.50 0.00 0.00 46.19 46.07 1lxc s LEU 142 CO 0.02 0.09 -0.04 0.28 -1.32 0.00 0.00 176.35 175.38 1lxc s THR 143 N -0.06 1.10 -0.19 3.68 -1.32 -0.80 0.20 115.64 118.25 1lxc s THR 143 Ca 0.01 -2.05 -0.03 0.00 -1.21 0.00 0.00 61.69 58.41 1lxc s THR 143 Cb -0.05 -2.15 -0.02 0.00 -1.51 0.00 0.00 72.50 68.77 1lxc s THR 143 CO -0.00 -0.49 -0.05 -0.76 -2.21 0.00 0.00 174.62 171.11 1lxc s LEU 144 N -3.25 3.01 0.00 9.08 1.43 -1.08 -0.96 118.68 126.90 1lxc s LEU 144 Ca 0.24 -0.29 0.01 0.00 -1.03 0.00 0.00 54.13 53.05 1lxc s LEU 144 Cb 0.04 -1.74 0.01 0.00 0.03 0.00 0.00 46.19 44.53 1lxc s LEU 144 CO 0.06 0.06 0.07 -0.24 0.23 0.00 0.00 176.35 176.53 1lxc n SER 145 N 4.23 2.70 -3.81 2.29 2.88 -0.12 -4.92 113.62 116.87 1lxc n SER 145 Ca -0.18 -2.37 -0.12 0.00 -1.33 0.00 0.00 58.87 54.87 1lxc n SER 145 Cb 0.52 0.16 -0.09 0.00 -0.75 0.00 0.00 64.21 64.05 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 -2.06 -0.09 0.61 0.66 5.04 -1.26 -2.56 117.35 117.68 1lxc s TYR 146 Ca 0.05 0.12 0.25 0.00 -2.44 0.00 0.00 57.07 55.05 1lxc s TYR 146 Cb -0.00 0.04 1.13 0.00 0.35 0.00 0.00 41.96 43.47 1lxc s TYR 146 CO 0.03 -0.34 1.57 1.25 -1.34 0.00 0.00 175.55 176.73 1lxc h LEU 147 N 4.12 0.00 -2.02 6.97 5.85 -1.90 -0.13 115.31 128.20 1lxc h LEU 147 Ca -0.30 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.42 1lxc h LEU 147 Cb 1.18 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.21 1lxc h LEU 147 CO 0.40 0.00 0.17 1.23 -0.34 0.00 0.00 178.44 179.90 1lxc h GLY 148 N 0.00 0.00 1.73 3.75 0.00 -1.93 0.09 103.07 106.71 1lxc h GLY 148 Ca 0.28 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.41 1lxc h GLY 148 CO -0.00 0.00 -0.89 0.00 0.00 0.00 0.00 176.54 175.65 1lxc h ALA 149 N 1.62 0.48 0.00 3.60 0.00 -1.14 -3.34 119.26 120.47 1lxc h ALA 149 Ca 0.00 -0.72 -0.32 0.00 0.00 0.00 0.00 54.91 53.87 1lxc h ALA 149 Cb 0.35 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.02 1lxc h ALA 149 CO 0.00 0.89 -1.93 0.39 0.00 0.00 0.00 179.25 178.60 1lxc n GLU 150 N -3.68 0.65 -4.35 0.00 1.02 -0.08 -4.57 120.64 109.63 1lxc n GLU 150 Ca -0.04 0.20 -0.18 0.00 -0.02 0.00 0.00 57.16 57.11 1lxc n GLU 150 Cb 0.81 -1.71 -0.10 0.00 -0.02 0.00 0.00 31.44 30.43 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 -2.56 1.34 -0.46 3.49 1.81 -0.62 -5.10 118.95 116.85 1lxc s ARG 151 Ca -0.06 -1.62 -0.24 0.00 -1.72 0.00 0.00 55.73 52.08 1lxc s ARG 151 Cb 0.07 -1.02 0.03 0.00 -0.45 0.00 0.00 34.95 33.58 1lxc s ARG 151 CO 0.83 0.11 0.84 0.00 -0.68 0.00 0.00 175.30 176.40 1lxc s ALA 152 N -3.07 3.26 -0.16 2.13 0.00 -1.26 -4.40 121.76 118.26 1lxc s ALA 152 Ca 0.24 -0.96 -0.03 0.00 0.00 0.00 0.00 51.96 51.20 1lxc s ALA 152 Cb 0.01 -3.55 -0.02 0.00 0.00 0.00 0.00 23.12 19.56 1lxc s ALA 152 CO 0.07 -2.01 -0.06 0.42 0.00 0.00 0.00 175.76 174.19 1lxc s ILE 153 N 3.49 3.67 0.12 0.00 1.01 -1.26 -5.08 121.20 123.16 1lxc s ILE 153 Ca 0.32 -0.43 -0.35 0.00 0.00 0.00 0.00 60.65 60.19 1lxc s ILE 153 Cb -0.12 -2.60 -0.16 0.00 0.01 0.00 0.00 42.46 39.59 1lxc s ILE 153 CO 0.23 0.49 1.25 -2.65 0.00 0.00 0.00 174.94 174.27 1lxc n PRO 154 N 3.64 1.12 0.00 2.79 -0.02 -1.26 -1.94 135.00 139.34 1lxc n PRO 154 Ca -0.18 0.40 0.00 0.00 -2.02 0.00 0.00 63.50 61.71 1lxc n PRO 154 Cb 0.52 -1.98 0.00 0.00 -0.02 0.00 0.00 33.50 32.03 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 2.28 0.00 0.18 2.55 3.02 -1.26 -4.71 115.26 117.31 1lxc n ASN 155 Ca 0.17 0.00 0.04 0.00 -0.03 0.00 0.00 54.58 54.76 1lxc n ASN 155 Cb 0.21 -0.14 0.44 0.00 -0.61 0.00 0.00 39.78 39.68 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 0.10 0.00 3.10 3.20 -1.66 -3.35 116.97 118.37 1lxc h TYR 156 Ca 0.00 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.86 1lxc h TYR 156 Cb 0.00 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 38.24 1lxc h TYR 156 CO 0.00 0.28 0.00 0.09 -1.64 0.00 0.00 178.16 176.89 1lxc n ASN 157 N -4.28 0.00 0.33 -2.11 3.02 -1.24 -1.77 115.26 109.20 1lxc n ASN 157 Ca -0.02 0.00 0.22 0.00 -0.03 0.00 0.00 54.58 54.75 1lxc n ASN 157 Cb 0.27 0.00 1.16 0.00 -0.61 0.00 0.00 39.78 40.60 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 0.00 0.00 2.41 3.04 -1.88 0.69 116.25 120.52 1lxc h VAL 158 Ca 0.00 0.00 -0.01 0.00 -1.01 0.00 0.00 66.70 65.68 1lxc h VAL 158 Cb 0.00 0.94 -0.00 0.00 -2.01 0.00 0.00 31.29 30.22 1lxc h VAL 158 CO 0.00 0.00 -0.05 -0.03 -1.01 0.00 0.00 177.57 176.48 1lxc h MET 159 N 0.00 0.00 -0.21 4.17 -1.53 -1.71 -2.39 114.93 113.26 1lxc h MET 159 Ca 0.00 0.00 -0.18 0.00 -3.44 0.00 0.00 59.70 56.08 1lxc h MET 159 Cb 0.06 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 31.11 1lxc h MET 159 CO 0.00 0.05 -0.56 0.78 0.14 0.00 0.00 176.91 177.32 1lxc h GLY 160 N 1.87 0.82 1.64 1.39 0.00 -0.93 -1.97 103.07 105.89 1lxc h GLY 160 Ca -0.00 -1.03 -0.10 0.00 0.00 0.00 0.00 47.33 46.19 1lxc h GLY 160 CO 0.01 0.92 -0.31 1.41 0.00 0.00 0.00 176.54 178.57 1lxc h LEU 161 N 0.47 0.42 -0.27 3.11 4.07 -1.56 -2.46 115.31 119.10 1lxc h LEU 161 Ca -0.01 -0.16 -0.04 0.00 0.08 0.00 0.00 57.88 57.75 1lxc h LEU 161 Cb 1.17 -0.12 -0.01 0.00 1.08 0.00 0.00 40.66 42.79 1lxc h LEU 161 CO 0.12 0.72 0.01 0.00 -1.08 0.00 0.00 178.44 178.21 1lxc h ALA 162 N 1.31 0.36 -0.63 1.53 0.00 -1.33 -1.42 119.26 119.08 1lxc h ALA 162 Ca 0.05 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 1lxc h ALA 162 Cb 0.72 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 1lxc h ALA 162 CO 0.06 0.09 0.31 0.87 0.00 0.00 0.00 179.25 180.57 1lxc h LYS 163 N 0.25 0.88 -0.34 0.00 1.79 -1.26 0.78 116.57 118.67 1lxc h LYS 163 Ca 0.08 -0.11 -0.06 0.00 -2.18 0.00 0.00 60.65 58.38 1lxc h LYS 163 Cb 0.40 -0.17 -0.01 0.00 -1.58 0.00 0.00 32.23 30.87 1lxc h LYS 163 CO 0.01 0.68 -0.03 0.00 -1.08 0.00 0.00 179.45 179.03 1lxc h ALA 164 N 1.46 0.47 -0.60 3.86 0.00 -1.26 0.28 119.26 123.47 1lxc h ALA 164 Ca 0.22 -0.27 0.04 0.00 0.00 0.00 0.00 54.91 54.90 1lxc h ALA 164 Cb 0.08 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 1lxc h ALA 164 CO -0.03 0.26 0.34 1.03 0.00 0.00 0.00 179.25 180.85 1lxc h SER 165 N 0.43 0.54 -0.68 0.00 0.87 -0.76 -1.60 113.55 112.34 1lxc h SER 165 Ca 0.09 0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.66 1lxc h SER 165 Cb 0.51 -0.09 -0.03 0.00 -0.44 0.00 0.00 62.40 62.34 1lxc h SER 165 CO 0.02 0.37 0.38 0.25 -0.53 0.00 0.00 176.83 177.32 1lxc h LEU 166 N 0.66 0.84 -1.59 2.23 5.85 -0.36 0.23 115.31 123.17 1lxc h LEU 166 Ca 0.25 -0.09 -0.05 0.00 0.84 0.00 0.00 57.88 58.84 1lxc h LEU 166 Cb 0.09 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 40.90 1lxc h LEU 166 CO -0.13 0.68 -0.22 -0.33 -0.34 0.00 0.00 178.44 178.10 1lxc h GLU 167 N 0.92 0.00 0.11 1.25 5.08 0.16 -1.11 114.58 120.99 1lxc h GLU 167 Ca 0.24 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 58.33 1lxc h GLU 167 Cb 0.02 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.28 1lxc h GLU 167 CO -0.04 0.22 -1.18 0.00 -1.00 0.00 0.00 179.01 177.01 1lxc h ALA 168 N 1.78 0.13 -1.00 3.43 0.00 -0.78 -3.09 119.26 119.73 1lxc h ALA 168 Ca -0.00 -0.82 0.09 0.00 0.00 0.00 0.00 54.91 54.18 1lxc h ALA 168 Cb 0.41 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.16 1lxc h ALA 168 CO 0.03 0.86 0.64 -0.97 0.00 0.00 0.00 179.25 179.81 1lxc h ASN 169 N 0.15 1.00 -0.41 0.00 -0.00 -0.16 -0.28 115.58 115.88 1lxc h ASN 169 Ca -0.14 0.02 0.04 0.00 -0.00 0.00 0.00 56.30 56.23 1lxc h ASN 169 Cb 1.87 -0.19 -0.04 0.00 -0.00 0.00 0.00 38.32 39.97 1lxc h ASN 169 CO 0.20 0.60 0.17 0.58 -0.00 0.00 0.00 177.43 178.98 1lxc h VAL 170 N 1.11 0.92 -0.27 2.57 2.07 -1.16 0.34 116.25 121.82 1lxc h VAL 170 Ca 0.45 -0.12 -0.05 0.00 0.82 0.00 0.00 66.70 67.81 1lxc h VAL 170 Cb 0.28 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 30.58 1lxc h VAL 170 CO -0.20 0.06 -0.01 0.03 0.02 0.00 0.00 177.57 177.47 1lxc h ARG 171 N 0.35 0.48 -0.40 1.57 3.08 -1.07 -0.49 114.38 117.91 1lxc h ARG 171 Ca 0.18 -0.16 -0.11 0.00 0.07 0.00 0.00 59.98 59.96 1lxc h ARG 171 Cb 0.14 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 1lxc h ARG 171 CO -0.16 0.65 -0.20 1.88 -1.07 0.00 0.00 179.97 181.06 1lxc h TYR 172 N 0.26 0.87 -0.26 3.04 0.05 -0.91 -1.17 116.97 118.87 1lxc h TYR 172 Ca 0.08 -0.19 -0.05 0.00 0.05 0.00 0.00 58.73 58.62 1lxc h TYR 172 Cb 0.44 -0.21 -0.01 0.00 1.01 0.00 0.00 36.73 37.96 1lxc h TYR 172 CO 0.04 0.91 -0.02 0.52 -1.05 0.00 0.00 178.16 178.55 1lxc h MET 173 N 0.68 0.47 -0.76 4.88 2.86 -0.27 -1.06 114.93 121.73 1lxc h MET 173 Ca 0.10 -0.16 -0.03 0.00 -2.06 0.00 0.00 59.70 57.55 1lxc h MET 173 Cb 0.71 -0.04 -0.04 0.00 0.06 0.00 0.00 31.60 32.30 1lxc h MET 173 CO 0.05 0.66 0.37 0.00 1.06 0.00 0.00 176.91 179.05 1lxc h ALA 174 N 0.79 1.22 -0.11 6.32 0.00 -0.98 -0.22 119.26 126.29 1lxc h ALA 174 Ca 0.07 -0.15 -0.13 0.00 0.00 0.00 0.00 54.91 54.70 1lxc h ALA 174 Cb 0.46 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1lxc h ALA 174 CO 0.02 0.60 -0.50 -0.97 0.00 0.00 0.00 179.25 178.39 1lxc h ASN 175 N 1.08 0.32 0.27 0.00 -0.00 -1.06 0.42 115.58 116.61 1lxc h ASN 175 Ca 0.26 -0.16 -0.34 0.00 -0.00 0.00 0.00 56.30 56.07 1lxc h ASN 175 Cb 0.10 -0.09 0.03 0.00 -0.00 0.00 0.00 38.32 38.36 1lxc h ASN 175 CO -0.03 0.77 -1.56 0.00 -0.00 0.00 0.00 177.43 176.61 1lxc h ALA 176 N 1.24 -0.03 0.00 1.57 0.00 -0.79 -3.38 119.26 117.86 1lxc h ALA 176 Ca 0.01 -0.96 -0.01 0.00 0.00 0.00 0.00 54.91 53.95 1lxc h ALA 176 Cb 0.97 0.26 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 1lxc h ALA 176 CO 0.08 0.83 -1.29 -1.33 0.00 0.00 0.00 179.25 177.54 1lxc n MET 177 N -3.66 0.62 -0.30 0.00 2.81 -0.13 -4.38 117.12 112.09 1lxc n MET 177 Ca -0.19 0.04 0.12 0.00 -1.81 0.00 0.00 57.70 55.86 1lxc n MET 177 Cb 1.09 -1.75 0.29 0.00 -0.71 0.00 0.00 33.22 32.14 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 3.99 1.46 2.00 3.03 0.00 -0.67 -0.83 103.07 112.05 1lxc h GLY 178 Ca -0.01 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.16 1lxc h GLY 178 CO 0.00 -0.24 0.00 -2.55 0.00 0.00 0.00 176.54 173.75 1lxc h PRO 179 N 0.41 0.00 -0.43 4.80 0.11 -1.82 -0.70 132.00 134.36 1lxc h PRO 179 Ca 0.54 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.57 1lxc h PRO 179 Cb 0.99 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.05 1lxc h PRO 179 CO -0.51 0.00 0.05 -0.85 -0.21 0.00 0.00 178.00 176.48 1lxc n GLU 180 N -2.35 3.32 -2.86 1.05 0.28 -0.33 -4.94 120.64 114.82 1lxc n GLU 180 Ca -0.02 -3.00 -0.09 0.00 -0.16 0.00 0.00 57.16 53.90 1lxc n GLU 180 Cb 0.04 -2.00 0.03 0.00 1.43 0.00 0.00 31.44 30.94 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 -0.32 0.38 3.03 -1.84 0.00 -0.27 -4.66 105.19 101.52 1lxc n GLY 181 Ca 0.28 -0.35 -0.25 0.00 0.00 0.00 0.00 46.02 45.70 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 -3.07 1.21 0.10 1.61 1.01 -1.15 0.64 120.40 120.75 1lxc s VAL 182 Ca 0.20 -0.51 0.03 0.00 0.00 0.00 0.00 61.98 61.70 1lxc s VAL 182 Cb -0.09 -1.10 -0.04 0.00 0.00 0.00 0.00 36.38 35.15 1lxc s VAL 182 CO 0.25 0.37 0.11 -0.13 0.00 0.00 0.00 175.10 175.71 1lxc s ARG 183 N 0.71 2.96 -0.03 2.72 0.52 -0.97 -2.66 118.95 122.19 1lxc s ARG 183 Ca -0.14 -0.71 -0.00 0.00 -0.52 0.00 0.00 55.73 54.37 1lxc s ARG 183 Cb -0.16 -2.74 0.03 0.00 0.52 0.00 0.00 34.95 32.60 1lxc s ARG 183 CO 0.03 0.55 0.02 0.08 0.02 0.00 0.00 175.30 176.00 1lxc s VAL 184 N -1.50 0.03 0.34 3.52 1.01 -1.26 -0.78 120.40 121.76 1lxc s VAL 184 Ca 0.30 0.19 0.02 0.00 0.00 0.00 0.00 61.98 62.50 1lxc s VAL 184 Cb -0.12 -0.17 -0.01 0.00 0.00 0.00 0.00 36.38 36.08 1lxc s VAL 184 CO 0.23 0.12 0.38 0.20 0.00 0.00 0.00 175.10 176.04 1lxc s ASN 185 N 1.19 1.30 0.06 3.32 0.01 -0.59 0.21 114.94 120.45 1lxc s ASN 185 Ca -0.07 -1.63 -0.06 0.00 -0.71 0.00 0.00 52.86 50.39 1lxc s ASN 185 Cb -0.13 0.61 -0.01 0.00 0.41 0.00 0.00 41.25 42.13 1lxc s ASN 185 CO -0.03 -1.19 0.11 0.00 -1.51 0.00 0.00 177.10 174.48 1lxc s ALA 186 N -3.22 -0.01 -0.18 0.60 0.00 -0.62 -1.90 121.76 116.43 1lxc s ALA 186 Ca 0.36 -0.72 0.01 0.00 0.00 0.00 0.00 51.96 51.61 1lxc s ALA 186 Cb 0.01 0.35 0.02 0.00 0.00 0.00 0.00 23.12 23.50 1lxc s ALA 186 CO 0.24 -0.41 -0.20 0.42 0.00 0.00 0.00 175.76 175.81 1lxc s ILE 187 N -3.42 2.12 -0.70 0.00 1.01 -0.13 -1.53 121.20 118.54 1lxc s ILE 187 Ca 0.02 -0.93 -0.20 0.00 0.00 0.00 0.00 60.65 59.54 1lxc s ILE 187 Cb 0.03 -1.88 0.10 0.00 0.01 0.00 0.00 42.46 40.72 1lxc s ILE 187 CO -0.08 0.54 0.91 -0.55 0.00 0.00 0.00 174.94 175.75 1lxc s SER 188 N 1.23 6.29 0.35 3.58 0.15 0.07 -0.95 113.70 124.42 1lxc s SER 188 Ca 0.03 -1.40 -0.16 0.00 0.70 0.00 0.00 55.95 55.13 1lxc s SER 188 Cb -0.13 -2.37 -0.09 0.00 -1.71 0.00 0.00 66.02 61.71 1lxc s SER 188 CO -0.11 -1.24 0.79 0.00 1.20 0.00 0.00 173.24 173.88 1lxc s ALA 189 N 3.24 3.26 0.96 5.45 0.00 -1.06 -1.13 121.76 132.48 1lxc s ALA 189 Ca 0.21 0.10 -0.14 0.00 0.00 0.00 0.00 51.96 52.13 1lxc s ALA 189 Cb -0.16 -2.85 0.17 0.00 0.00 0.00 0.00 23.12 20.27 1lxc s ALA 189 CO 0.04 0.26 1.15 0.20 0.00 0.00 0.00 175.76 177.42 1lxc s GLY 190 N -2.32 1.60 0.49 0.00 0.00 -0.56 -4.54 107.32 101.99 1lxc s GLY 190 Ca 0.56 -0.66 -0.24 0.00 0.00 0.00 0.00 44.72 44.39 1lxc s GLY 190 CO 0.18 -0.03 1.38 2.56 0.00 0.00 0.00 173.10 177.18 1lxc s PRO 191 N -5.36 3.47 0.04 2.90 0.04 -1.26 -4.86 135.00 129.98 1lxc s PRO 191 Ca 0.66 2.29 -0.05 0.00 0.04 0.00 0.00 61.00 63.94 1lxc s PRO 191 Cb -0.13 -2.48 -0.01 0.00 0.04 0.00 0.00 34.50 31.92 1lxc s PRO 191 CO 0.54 -0.94 0.09 0.42 0.04 0.00 0.00 177.00 177.14 1lxc s ILE 192 N -1.27 0.14 -0.78 0.56 1.01 -1.26 -4.39 121.20 115.22 1lxc s ILE 192 Ca 0.65 -1.19 -0.21 0.00 0.00 0.00 0.00 60.65 59.91 1lxc s ILE 192 Cb -0.41 -1.01 0.10 0.00 0.01 0.00 0.00 42.46 41.14 1lxc s ILE 192 CO 0.51 -0.66 1.03 0.00 0.00 0.00 0.00 174.94 175.82 1lxc s ARG 193 N -2.90 3.32 0.15 2.79 3.03 -1.26 -5.01 118.95 119.08 1lxc s ARG 193 Ca -0.02 -1.25 0.05 0.00 2.03 0.00 0.00 55.73 56.53 1lxc s ARG 193 Cb 0.01 -4.55 -0.04 0.00 -1.03 0.00 0.00 34.95 29.33 1lxc s ARG 193 CO -0.06 -1.80 -0.11 0.95 -1.13 0.00 0.00 175.30 173.15 1lxc s THR 194 N 3.45 1.25 0.00 4.99 -4.23 -1.26 -4.96 115.64 114.88 1lxc s THR 194 Ca 0.27 -2.05 0.00 0.00 -1.18 0.00 0.00 61.69 58.73 1lxc s THR 194 Cb -0.12 -1.84 0.00 0.00 1.34 0.00 0.00 72.50 71.88 1lxc s THR 194 CO 0.01 -0.70 0.02 0.00 -0.54 0.00 0.00 174.62 173.41 1lxc n LEU 195 N -0.15 -0.05 0.00 4.79 -0.00 -1.26 -5.09 117.00 115.24 1lxc n LEU 195 Ca -0.10 -0.27 0.00 0.00 -0.00 0.00 0.00 56.01 55.64 1lxc n LEU 195 Cb 0.60 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.02 1lxc n LEU 195 CO 0.32 -0.29 0.00 0.33 -0.00 0.00 0.00 177.39 177.75 1lxc n PHE 203 N 1.39 0.00 -0.24 1.47 7.35 -1.26 -5.21 117.46 120.96 1lxc n PHE 203 Ca 0.00 0.00 0.03 0.00 -0.76 0.00 0.00 57.45 56.72 1lxc n PHE 203 Cb 0.01 0.00 0.15 0.00 0.35 0.00 0.00 39.48 40.00 1lxc n PHE 203 CO 0.00 0.00 0.00 -0.09 -0.76 0.00 0.00 176.76 175.91 1lxc h ARG 204 N 0.00 0.43 -0.40 -4.13 2.43 -2.02 0.28 114.38 110.98 1lxc h ARG 204 Ca 0.00 -0.03 0.07 0.00 -0.81 0.00 0.00 59.98 59.22 1lxc h ARG 204 Cb 0.00 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.43 1lxc h ARG 204 CO 0.00 0.28 0.27 0.87 -1.51 0.00 0.00 179.97 179.89 1lxc h LYS 205 N 0.44 0.22 0.07 0.20 1.57 -2.06 -2.43 116.57 114.58 1lxc h LYS 205 Ca 0.37 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 59.14 1lxc h LYS 205 Cb 0.52 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.78 1lxc h LYS 205 CO -0.36 0.14 -0.03 1.98 -0.57 0.00 0.00 179.45 180.61 1lxc h MET 206 N 0.22 -0.09 -0.41 3.15 1.85 -0.91 -2.78 114.93 115.95 1lxc h MET 206 Ca 0.18 0.01 0.12 0.00 -0.61 0.00 0.00 59.70 59.40 1lxc h MET 206 Cb 0.43 0.02 -0.02 0.00 0.43 0.00 0.00 31.60 32.47 1lxc h MET 206 CO -0.03 0.37 0.41 -0.07 -0.40 0.00 0.00 176.91 177.19 1lxc h LEU 207 N -0.60 0.00 0.48 3.39 3.38 -0.89 0.22 115.31 121.29 1lxc h LEU 207 Ca -0.01 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 1lxc h LEU 207 Cb 0.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 1lxc h LEU 207 CO 0.02 0.00 -0.23 0.00 0.09 0.00 0.00 178.44 178.31 1lxc h ALA 208 N 1.57 -0.65 -0.52 1.53 0.00 -1.28 -1.61 119.26 118.30 1lxc h ALA 208 Ca 0.20 -0.19 0.06 0.00 0.00 0.00 0.00 54.91 54.98 1lxc h ALA 208 Cb 1.02 0.25 -0.05 0.00 0.00 0.00 0.00 17.79 19.00 1lxc h ALA 208 CO -0.00 -0.71 0.22 1.25 0.00 0.00 0.00 179.25 180.00 1lxc h HIS 209 N -0.96 0.39 -0.37 0.00 -0.00 -0.44 -2.48 115.15 111.30 1lxc h HIS 209 Ca -0.07 0.02 0.04 0.00 -0.00 0.00 0.00 60.37 60.37 1lxc h HIS 209 Cb 0.59 -0.10 -0.04 0.00 -0.00 0.00 0.00 27.41 27.87 1lxc h HIS 209 CO 0.01 0.15 0.13 0.00 -0.00 0.00 0.00 177.93 178.22 1lxc h GLU 211 N 0.28 0.43 -0.12 0.00 5.08 -0.85 0.31 114.58 119.71 1lxc h GLU 211 Ca 0.17 -0.03 -0.11 0.00 -1.00 0.00 0.00 59.36 58.39 1lxc h GLU 211 Cb 0.14 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 1lxc h GLU 211 CO -0.17 0.28 -0.42 0.00 -1.00 0.00 0.00 179.01 177.70 1lxc h ALA 212 N 1.29 1.07 0.00 3.43 0.00 -1.22 -3.27 119.26 120.56 1lxc h ALA 212 Ca 0.22 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1lxc h ALA 212 Cb 0.17 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1lxc h ALA 212 CO -0.18 0.60 -1.42 1.33 0.00 0.00 0.00 179.25 179.58 1lxc n VAL 213 N -4.02 0.22 -2.26 0.00 0.24 -0.79 -4.93 118.33 106.80 1lxc n VAL 213 Ca -0.02 -0.42 -0.41 0.00 -2.04 0.00 0.00 64.34 61.45 1lxc n VAL 213 Cb 0.49 0.01 -0.03 0.00 -1.47 0.00 0.00 33.84 32.83 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 -3.37 3.07 0.18 3.34 2.01 0.10 -4.90 115.64 116.08 1lxc s THR 214 Ca -0.02 1.04 -0.15 0.00 0.31 0.00 0.00 61.69 62.87 1lxc s THR 214 Cb 0.13 -3.66 0.12 0.00 0.01 0.00 0.00 72.50 69.09 1lxc s THR 214 CO 0.85 0.23 1.67 -0.65 -0.69 0.00 0.00 174.62 176.03 1lxc h PRO 215 N 3.85 0.05 0.00 4.92 0.11 -1.80 0.15 132.00 139.29 1lxc h PRO 215 Ca -0.47 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1lxc h PRO 215 Cb 1.22 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1lxc h PRO 215 CO 0.68 0.04 0.00 0.44 -0.21 0.00 0.00 178.00 178.94 1lxc n ILE 216 N -5.28 0.00 -4.11 4.15 -5.35 -1.23 -4.88 119.36 102.66 1lxc n ILE 216 Ca 0.04 0.00 -0.31 0.00 -0.27 0.00 0.00 62.75 62.21 1lxc n ILE 216 Cb 0.25 -0.20 -0.03 0.00 -1.74 0.00 0.00 39.64 37.92 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 -0.62 -2.99 -3.58 6.28 5.12 0.53 -4.94 116.66 116.47 1lxc n ARG 217 Ca 0.05 0.36 -0.07 0.00 -1.93 0.00 0.00 57.85 56.26 1lxc n ARG 217 Cb 0.02 -4.69 -0.04 0.00 -1.16 0.00 0.00 32.46 26.60 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 -6.81 0.45 0.47 5.56 1.70 -1.23 -4.84 118.95 114.24 1lxc s ARG 218 Ca 0.33 -0.02 -0.16 0.00 -0.47 0.00 0.00 55.73 55.42 1lxc s ARG 218 Cb -0.18 0.21 -0.08 0.00 -0.57 0.00 0.00 34.95 34.33 1lxc s ARG 218 CO 0.92 -0.17 0.93 0.95 -1.08 0.00 0.00 175.30 176.85 1lxc s THR 219 N -1.74 4.57 0.67 4.99 -4.23 -1.26 -4.82 115.64 113.82 1lxc s THR 219 Ca 0.04 1.12 -0.12 0.00 -1.18 0.00 0.00 61.69 61.55 1lxc s THR 219 Cb -0.01 -3.70 -0.00 0.00 1.34 0.00 0.00 72.50 70.13 1lxc s THR 219 CO -0.04 -0.59 1.06 0.68 -0.54 0.00 0.00 174.62 175.19 1lxc s VAL 220 N -2.49 4.06 0.33 2.29 -7.23 -1.26 -5.06 120.40 111.03 1lxc s VAL 220 Ca 0.57 0.72 0.08 0.00 -1.81 0.00 0.00 61.98 61.54 1lxc s VAL 220 Cb -0.10 -3.44 -0.04 0.00 0.56 0.00 0.00 36.38 33.36 1lxc s VAL 220 CO 0.29 -0.83 0.12 0.42 -0.31 0.00 0.00 175.10 174.79 1lxc s THR 221 N -2.96 3.13 0.52 5.32 -4.23 -1.26 -4.78 115.64 111.38 1lxc s THR 221 Ca 0.59 -1.71 0.37 0.00 -1.18 0.00 0.00 61.69 59.76 1lxc s THR 221 Cb -0.14 -2.97 0.40 0.00 1.34 0.00 0.00 72.50 71.12 1lxc s THR 221 CO 0.52 -0.21 2.24 0.16 -0.54 0.00 0.00 174.62 176.79 1lxc h ILE 222 N 1.59 0.20 -0.03 2.99 3.07 -1.95 -0.63 117.51 122.75 1lxc h ILE 222 Ca -0.44 -0.17 -0.02 0.00 1.55 0.00 0.00 64.86 65.78 1lxc h ILE 222 Cb 1.25 1.14 -0.00 0.00 -0.27 0.00 0.00 36.82 38.94 1lxc h ILE 222 CO 0.63 0.02 -0.04 -0.33 -1.05 0.00 0.00 178.15 177.37 1lxc h GLU 223 N 0.00 0.08 -0.94 0.16 3.07 -1.94 0.58 114.58 115.59 1lxc h GLU 223 Ca -0.00 -0.05 0.07 0.00 -0.50 0.00 0.00 59.36 58.88 1lxc h GLU 223 Cb 0.14 0.00 -0.06 0.00 -0.84 0.00 0.00 28.75 27.99 1lxc h GLU 223 CO 0.00 0.60 0.61 -0.44 -1.40 0.00 0.00 179.01 178.38 1lxc h ASP 224 N -0.43 0.93 -0.05 1.42 3.32 -1.54 -0.83 116.42 119.23 1lxc h ASP 224 Ca 0.00 0.01 -0.09 0.00 0.02 0.00 0.00 57.03 56.97 1lxc h ASP 224 Cb 0.59 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.96 1lxc h ASP 224 CO 0.01 0.59 -0.32 0.58 -1.72 0.00 0.00 179.24 178.37 1lxc h VAL 225 N 1.05 1.44 -0.88 -1.35 2.07 -1.18 -2.96 116.25 114.44 1lxc h VAL 225 Ca 0.41 -1.77 0.15 0.00 0.82 0.00 0.00 66.70 66.32 1lxc h VAL 225 Cb 0.24 2.40 -0.10 0.00 -1.52 0.00 0.00 31.29 32.31 1lxc h VAL 225 CO -0.17 0.50 0.47 1.23 0.02 0.00 0.00 177.57 179.63 1lxc h GLY 226 N -0.20 1.45 1.09 2.17 0.00 0.75 0.19 103.07 108.52 1lxc h GLY 226 Ca -0.02 -0.27 -0.11 0.00 0.00 0.00 0.00 47.33 46.92 1lxc h GLY 226 CO 0.07 -0.03 -0.10 3.43 0.00 0.00 0.00 176.54 179.90 1lxc h ASN 227 N 0.65 1.02 -0.29 0.19 2.35 -1.20 -0.07 115.58 118.25 1lxc h ASN 227 Ca 0.48 -0.35 -0.12 0.00 -0.55 0.00 0.00 56.30 55.76 1lxc h ASN 227 Cb 0.68 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.76 1lxc h ASN 227 CO -0.36 1.13 -0.25 0.28 -1.65 0.00 0.00 177.43 176.58 1lxc h SER 228 N 0.90 0.80 0.07 5.81 0.02 -1.06 -1.71 113.55 118.38 1lxc h SER 228 Ca 0.14 -0.30 -0.00 0.00 -0.84 0.00 0.00 61.79 60.79 1lxc h SER 228 Cb 0.67 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.99 1lxc h SER 228 CO 0.05 1.01 -0.03 0.00 -1.14 0.00 0.00 176.83 176.71 1lxc h ALA 229 N 1.05 -0.10 -0.56 3.77 0.00 -0.45 0.12 119.26 123.09 1lxc h ALA 229 Ca 0.09 -0.08 0.08 0.00 0.00 0.00 0.00 54.91 55.00 1lxc h ALA 229 Cb 0.77 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.53 1lxc h ALA 229 CO 0.06 -0.49 0.21 0.00 0.00 0.00 0.00 179.25 179.03 1lxc h ALA 230 N 0.69 0.70 0.07 0.00 0.00 -0.92 -0.94 119.26 118.86 1lxc h ALA 230 Ca -0.01 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1lxc h ALA 230 Cb 0.19 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 1lxc h ALA 230 CO 0.02 -0.19 -0.05 0.35 0.00 0.00 0.00 179.25 179.37 1lxc h PHE 231 N 0.40 -0.14 0.00 0.00 3.57 -1.04 -2.06 116.94 117.67 1lxc h PHE 231 Ca 0.27 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.77 1lxc h PHE 231 Cb 0.30 0.05 -0.00 0.00 2.79 0.00 0.00 35.95 39.10 1lxc h PHE 231 CO -0.16 -0.09 -0.00 -0.07 -2.23 0.00 0.00 178.31 175.76 1lxc h LEU 232 N -0.13 0.00 -2.45 0.59 3.38 -0.06 -1.43 115.31 115.21 1lxc h LEU 232 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1lxc h LEU 232 Cb 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1lxc h LEU 232 CO -0.01 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.53 1lxc s SER 234 N -1.15 5.13 0.00 0.00 1.04 -0.54 -4.72 113.70 113.47 1lxc s SER 234 Ca 0.32 -0.58 0.11 0.00 0.48 0.00 0.00 55.95 56.27 1lxc s SER 234 Cb 0.18 -0.88 0.53 0.00 0.10 0.00 0.00 66.02 65.95 1lxc s SER 234 CO 0.24 -0.37 1.30 0.47 0.98 0.00 0.00 173.24 175.85 1lxc n ASP 235 N -1.34 0.00 0.20 7.02 8.00 -1.26 -2.15 116.55 127.02 1lxc n ASP 235 Ca -0.02 0.28 0.04 0.00 0.71 0.00 0.00 54.79 55.80 1lxc n ASP 235 Cb 0.60 -0.37 0.42 0.00 -0.02 0.00 0.00 41.12 41.75 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 -3.80 0.64 3.38 -1.87 -2.55 115.31 111.11 1lxc h LEU 236 Ca 0.00 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.62 1lxc h LEU 236 Cb 0.14 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 40.68 1lxc h LEU 236 CO 0.00 0.32 0.40 -1.54 0.09 0.00 0.00 178.44 177.71 1lxc n SER 237 N -4.05 3.96 -0.01 -0.43 3.41 -0.91 -4.68 113.62 110.92 1lxc n SER 237 Ca -0.02 -3.48 0.23 0.00 -0.26 0.00 0.00 58.87 55.34 1lxc n SER 237 Cb 0.37 -0.77 0.71 0.00 -0.26 0.00 0.00 64.21 64.26 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 1.61 2.39 -0.46 7.33 0.00 -1.61 0.17 119.26 128.67 1lxc h ALA 238 Ca 0.43 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.32 1lxc h ALA 238 Cb 2.48 0.04 0.00 0.00 0.00 0.00 0.00 17.79 20.32 1lxc h ALA 238 CO 0.86 -0.89 0.00 0.41 0.00 0.00 0.00 179.25 179.63 1lxc n GLY 239 N -1.57 1.24 3.20 0.00 0.00 -1.26 -4.85 105.19 101.95 1lxc n GLY 239 Ca 0.12 -0.51 -0.33 0.00 0.00 0.00 0.00 46.02 45.30 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 -1.41 2.30 -0.24 -0.61 1.01 0.58 -5.10 121.20 117.73 1lxc s ILE 240 Ca 0.31 -0.89 -0.22 0.00 0.00 0.00 0.00 60.65 59.85 1lxc s ILE 240 Cb 0.17 -1.95 0.06 0.00 0.01 0.00 0.00 42.46 40.75 1lxc s ILE 240 CO 0.21 0.53 0.65 -0.55 0.00 0.00 0.00 174.94 175.78 1lxc s SER 241 N 0.87 -0.69 -0.06 3.58 0.15 -1.26 -4.71 113.70 111.58 1lxc s SER 241 Ca -0.05 1.31 0.00 0.00 0.70 0.00 0.00 55.95 57.91 1lxc s SER 241 Cb -0.15 1.32 0.00 0.00 -1.71 0.00 0.00 66.02 65.48 1lxc s SER 241 CO -0.02 -0.23 0.00 0.61 1.20 0.00 0.00 173.24 174.80 1lxc n GLY 242 N 2.87 0.47 3.91 9.45 0.00 0.56 -4.92 105.19 117.53 1lxc n GLY 242 Ca -0.14 -0.29 -0.30 0.00 0.00 0.00 0.00 46.02 45.29 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 -0.74 3.57 -0.55 1.61 2.56 -1.25 -4.61 118.70 119.29 1lxc s GLU 243 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 54.97 54.79 1lxc s GLU 243 Cb 0.00 -2.85 0.14 0.00 2.00 0.00 0.00 34.13 33.42 1lxc s GLU 243 CO 0.00 0.44 0.32 0.08 -0.56 0.00 0.00 175.26 175.55 1lxc s VAL 244 N -1.74 3.12 -0.18 3.70 1.01 -1.26 -1.59 120.40 123.45 1lxc s VAL 244 Ca 0.40 -3.02 -0.29 0.00 0.00 0.00 0.00 61.98 59.07 1lxc s VAL 244 Cb -0.12 -3.10 -0.01 0.00 0.00 0.00 0.00 36.38 33.15 1lxc s VAL 244 CO 0.27 -0.81 1.20 -0.69 0.00 0.00 0.00 175.10 175.06 1lxc s VAL 245 N -0.02 4.39 -0.28 2.92 1.01 -0.58 -4.77 120.40 123.06 1lxc s VAL 245 Ca 0.16 1.68 -0.28 0.00 0.00 0.00 0.00 61.98 63.54 1lxc s VAL 245 Cb -0.23 -4.08 0.01 0.00 0.00 0.00 0.00 36.38 32.08 1lxc s VAL 245 CO -0.02 -0.15 1.00 -1.00 0.00 0.00 0.00 175.10 174.93 1lxc s HIS 246 N 3.43 3.23 -0.68 5.22 3.76 -1.26 -0.75 115.29 128.23 1lxc s HIS 246 Ca 0.52 1.23 0.05 0.00 -0.15 0.00 0.00 55.06 56.71 1lxc s HIS 246 Cb -0.20 -3.43 0.20 0.00 1.11 0.00 0.00 32.58 30.26 1lxc s HIS 246 CO 0.12 -0.61 0.60 0.28 -0.85 0.00 0.00 174.74 174.28 1lxc n VAL 247 N 5.59 1.94 -2.22 -0.90 0.31 -0.28 -4.76 118.33 118.01 1lxc n VAL 247 Ca 0.10 -5.02 0.02 0.00 -0.01 0.00 0.00 64.34 59.44 1lxc n VAL 247 Cb 0.47 -2.16 0.01 0.00 -0.91 0.00 0.00 33.84 31.26 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 1.51 0.53 -0.60 4.52 5.75 -1.26 -1.49 116.55 125.51 1lxc n ASP 248 Ca 0.24 -2.04 -0.08 0.00 -0.01 0.00 0.00 54.79 52.90 1lxc n ASP 248 Cb 0.37 -0.26 -0.03 0.00 -1.03 0.00 0.00 41.12 40.17 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 0.20 0.87 1.46 6.12 0.00 -1.26 -2.00 105.19 110.58 1lxc n GLY 249 Ca 0.03 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.66 0.57 0.13 -0.02 0.00 -1.26 -3.47 105.19 100.48 1lxc n GLY 250 Ca -0.08 -0.59 -0.07 0.00 0.00 0.00 0.00 46.02 45.28 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 -0.07 0.00 1.61 3.57 -1.76 -2.82 116.94 117.47 1lxc h PHE 251 Ca 0.00 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.50 1lxc h PHE 251 Cb 0.00 0.07 -0.00 0.00 2.79 0.00 0.00 35.95 38.81 1lxc h PHE 251 CO 0.00 -0.08 -0.08 0.66 -2.23 0.00 0.00 178.31 176.58 1lxc h SER 252 N 0.04 0.00 -0.22 0.41 4.64 -1.93 -3.09 113.55 113.40 1lxc h SER 252 Ca 0.13 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 1lxc h SER 252 Cb 0.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 1lxc h SER 252 CO -0.25 0.08 0.00 2.30 -0.87 0.00 0.00 176.83 178.10 1lxc n ILE 253 N -3.34 0.29 -4.48 0.95 -6.64 -1.06 -4.88 119.36 100.20 1lxc n ILE 253 Ca -0.01 -0.36 -0.26 0.00 -1.77 0.00 0.00 62.75 60.35 1lxc n ILE 253 Cb 0.27 0.28 -0.10 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 -1.71 3.03 -0.18 -1.28 0.00 -1.17 -5.15 121.76 115.29 1lxc s ALA 254 Ca 0.28 -2.05 -0.19 0.00 0.00 0.00 0.00 51.96 50.01 1lxc s ALA 254 Cb 0.15 -0.15 0.05 0.00 0.00 0.00 0.00 23.12 23.17 1lxc s ALA 254 CO 0.22 0.08 0.52 0.00 0.00 0.00 0.00 175.76 176.58 1lxc s ALA 255 N -2.58 -1.29 -1.54 0.00 0.00 -1.26 -4.93 121.76 110.16 1lxc s ALA 255 Ca 0.33 1.42 0.00 0.00 0.00 0.00 0.00 51.96 53.71 1lxc s ALA 255 Cb 0.02 -0.78 0.00 0.00 0.00 0.00 0.00 23.12 22.36 1lxc s ALA 255 CO 0.17 -0.25 0.00 -1.33 0.00 0.00 0.00 175.76 174.35 1lxc n MET 256 N 2.64 -1.33 0.20 0.00 2.81 -1.26 -4.87 117.12 115.32 1lxc n MET 256 Ca -0.14 0.89 0.07 0.00 -1.81 0.00 0.00 57.70 56.70 1lxc n MET 256 Cb 0.56 -5.29 0.43 0.00 -0.71 0.00 0.00 33.22 28.21 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 0.00 0.00 -0.78 7.83 -0.26 -1.91 -2.82 115.58 117.63 1lxc h ASN 257 Ca -0.39 0.00 0.03 0.00 -0.56 0.00 0.00 56.30 55.37 1lxc h ASN 257 Cb 1.26 0.00 -0.05 0.00 -1.06 0.00 0.00 38.32 38.48 1lxc h ASN 257 CO 0.49 0.32 0.50 1.05 -1.06 0.00 0.00 177.43 178.73 1lxc h GLU 258 N 0.00 0.96 0.00 0.81 9.09 -1.93 -3.48 114.58 120.04 1lxc h GLU 258 Ca -0.00 -0.06 0.00 0.00 0.05 0.00 0.00 59.36 59.35 1lxc h GLU 258 Cb 0.72 -0.22 0.00 0.00 -1.65 0.00 0.00 28.75 27.60 1lxc h GLU 258 CO 0.04 0.64 0.00 1.28 0.05 0.00 0.00 179.01 181.02