#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lx6 n PHE 3 N 0.00 0.00 -0.41 1.61 1.16 -1.09 -2.31 117.46 116.43 1lx6 n PHE 3 Ca 0.00 0.00 0.06 0.00 -1.87 0.00 0.00 57.45 55.64 1lx6 n PHE 3 Cb 0.00 -0.11 0.16 0.00 -1.61 0.00 0.00 39.48 37.92 1lx6 n PHE 3 CO 0.00 0.00 0.00 1.28 -1.87 0.00 0.00 176.76 176.17 1lx6 n LEU 4 N -1.11 3.00 -4.66 5.98 4.77 0.81 -4.47 117.00 121.32 1lx6 n LEU 4 Ca 0.17 -2.33 -0.46 0.00 -0.03 0.00 0.00 56.01 53.36 1lx6 n LEU 4 Cb 0.13 -0.29 -0.04 0.00 -2.33 0.00 0.00 43.42 40.89 1lx6 n LEU 4 CO 0.17 0.68 1.58 -1.20 -1.33 0.00 0.00 177.39 177.29 1lx6 n SER 5 N -0.01 3.62 0.00 -1.43 7.64 -0.84 -1.29 113.62 121.30 1lx6 n SER 5 Ca 0.13 0.86 0.00 0.00 1.01 0.00 0.00 58.87 60.86 1lx6 n SER 5 Cb 0.53 -1.43 0.00 0.00 -1.01 0.00 0.00 64.21 62.30 1lx6 n SER 5 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1lx6 n GLY 6 N 4.67 0.75 3.84 0.23 0.00 -1.16 -4.98 105.19 108.54 1lx6 n GLY 6 Ca 0.23 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.87 1lx6 n GLY 6 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1lx6 s LYS 7 N -0.51 3.93 -0.27 1.61 -0.14 -0.41 -4.95 119.74 119.00 1lx6 s LYS 7 Ca 0.00 0.43 -0.04 0.00 -1.36 0.00 0.00 55.97 55.00 1lx6 s LYS 7 Cb 0.00 -3.21 0.02 0.00 -1.68 0.00 0.00 37.83 32.96 1lx6 s LYS 7 CO 0.00 0.68 -0.00 1.03 -0.76 0.00 0.00 175.35 176.30 1lx6 s ARG 8 N -1.12 2.95 -0.03 1.68 3.00 -1.26 0.06 118.95 124.23 1lx6 s ARG 8 Ca 0.25 -0.92 0.07 0.00 0.00 0.00 0.00 55.73 55.12 1lx6 s ARG 8 Cb -0.17 -3.15 -0.02 0.00 0.00 0.00 0.00 34.95 31.61 1lx6 s ARG 8 CO 0.14 -0.42 -0.23 0.42 0.00 0.00 0.00 175.30 175.21 1lx6 s ILE 9 N 1.40 1.83 -0.07 1.52 -1.09 0.25 -0.88 121.20 124.16 1lx6 s ILE 9 Ca 0.01 -0.98 -0.13 0.00 -2.23 0.00 0.00 60.65 57.32 1lx6 s ILE 9 Cb -0.17 -1.53 -0.05 0.00 -1.58 0.00 0.00 42.46 39.13 1lx6 s ILE 9 CO -0.01 0.52 0.34 -0.22 -1.23 0.00 0.00 174.94 174.33 1lx6 s LEU 10 N -0.45 4.38 -0.16 2.97 2.96 -0.58 -2.19 118.68 125.62 1lx6 s LEU 10 Ca 0.06 0.75 0.01 0.00 -0.22 0.00 0.00 54.13 54.72 1lx6 s LEU 10 Cb -0.10 -2.45 0.02 0.00 0.50 0.00 0.00 46.19 44.16 1lx6 s LEU 10 CO -0.00 0.25 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.43 1lx6 s VAL 11 N -0.51 1.75 0.23 1.68 1.01 0.88 -0.13 120.40 125.32 1lx6 s VAL 11 Ca 0.21 -0.77 0.05 0.00 0.00 0.00 0.00 61.98 61.47 1lx6 s VAL 11 Cb -0.15 -1.63 -0.03 0.00 0.00 0.00 0.00 36.38 34.57 1lx6 s VAL 11 CO 0.09 0.47 0.34 -0.89 0.00 0.00 0.00 175.10 175.11 1lx6 s THR 12 N 1.41 5.24 0.00 3.92 2.01 -0.98 -2.52 115.64 124.73 1lx6 s THR 12 Ca 0.05 -0.96 0.00 0.00 0.31 0.00 0.00 61.69 61.09 1lx6 s THR 12 Cb -0.13 -3.82 0.00 0.00 0.01 0.00 0.00 72.50 68.56 1lx6 s THR 12 CO -0.11 -0.29 0.00 0.61 -0.69 0.00 0.00 174.62 174.13 1lx6 n GLY 13 N -1.26 0.55 3.58 4.40 0.00 -1.26 -4.15 105.19 107.04 1lx6 n GLY 13 Ca -0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 1lx6 n GLY 13 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1lx6 s VAL 14 N -2.24 3.87 -0.13 1.61 1.01 -1.26 -4.59 120.40 118.67 1lx6 s VAL 14 Ca 0.00 0.76 0.11 0.00 0.00 0.00 0.00 61.98 62.85 1lx6 s VAL 14 Cb 0.00 -4.56 -0.15 0.00 0.00 0.00 0.00 36.38 31.67 1lx6 s VAL 14 CO 0.00 -1.25 0.04 0.00 0.00 0.00 0.00 175.10 173.89 1lx6 n ALA 15 N 9.12 1.69 -3.55 5.51 0.00 -1.26 -4.83 120.51 127.19 1lx6 n ALA 15 Ca 0.11 -0.83 -0.10 0.00 0.00 0.00 0.00 53.44 52.61 1lx6 n ALA 15 Cb 0.49 -0.01 -0.00 0.00 0.00 0.00 0.00 19.45 19.92 1lx6 n ALA 15 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1lx6 s SER 16 N -4.59 0.17 0.47 0.00 1.04 -1.26 -4.97 113.70 104.57 1lx6 s SER 16 Ca -0.07 -1.13 0.22 0.00 0.48 0.00 0.00 55.95 55.45 1lx6 s SER 16 Cb 0.04 0.77 1.19 0.00 0.10 0.00 0.00 66.02 68.11 1lx6 s SER 16 CO 0.51 -1.50 1.99 0.11 0.98 0.00 0.00 173.24 175.33 1lx6 h LYS 17 N 2.05 0.00 0.00 4.02 1.79 -2.01 -1.60 116.57 120.82 1lx6 h LYS 17 Ca -0.29 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.18 1lx6 h LYS 17 Cb 1.25 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.90 1lx6 h LYS 17 CO 0.37 0.19 -0.18 1.28 -1.08 0.00 0.00 179.45 180.04 1lx6 n LEU 18 N -3.81 0.34 -4.77 2.94 4.77 -1.26 -4.63 117.00 110.59 1lx6 n LEU 18 Ca -0.02 0.38 -0.41 0.00 -0.03 0.00 0.00 56.01 55.93 1lx6 n LEU 18 Cb 0.29 -0.38 -0.00 0.00 -2.33 0.00 0.00 43.42 41.00 1lx6 n LEU 18 CO 0.33 -0.01 1.17 -1.20 -1.33 0.00 0.00 177.39 176.35 1lx6 n SER 19 N -1.71 3.83 0.28 -1.43 7.64 -0.60 -4.87 113.62 116.76 1lx6 n SER 19 Ca 0.06 1.21 0.13 0.00 1.01 0.00 0.00 58.87 61.28 1lx6 n SER 19 Cb 0.37 -1.62 0.84 0.00 -1.01 0.00 0.00 64.21 62.79 1lx6 n SER 19 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 1lx6 h ILE 20 N 3.07 0.65 -0.04 0.44 2.04 -1.88 0.11 117.51 121.89 1lx6 h ILE 20 Ca -0.50 0.00 -0.14 0.00 1.00 0.00 0.00 64.86 65.23 1lx6 h ILE 20 Cb 1.24 0.99 -0.01 0.00 -0.74 0.00 0.00 36.82 38.29 1lx6 h ILE 20 CO 0.68 0.00 -0.59 0.00 0.00 0.00 0.00 178.15 178.24 1lx6 h ALA 21 N 1.98 0.93 -0.04 1.87 0.00 -1.88 -0.98 119.26 121.15 1lx6 h ALA 21 Ca 0.01 -0.54 -0.01 0.00 0.00 0.00 0.00 54.91 54.37 1lx6 h ALA 21 Cb 0.04 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 1lx6 h ALA 21 CO -0.00 0.73 -0.01 -0.92 0.00 0.00 0.00 179.25 179.05 1lx6 h TYR 22 N 0.10 0.08 0.00 0.00 3.20 -1.05 0.66 116.97 119.96 1lx6 h TYR 22 Ca -0.01 -0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.83 1lx6 h TYR 22 Cb 1.07 -0.02 -0.00 0.00 1.54 0.00 0.00 36.73 39.32 1lx6 h TYR 22 CO 0.01 0.41 -0.07 0.78 -1.64 0.00 0.00 178.16 177.65 1lx6 h GLY 23 N -0.27 0.00 0.65 1.82 0.00 -1.29 -0.48 103.07 103.50 1lx6 h GLY 23 Ca 0.01 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.21 1lx6 h GLY 23 CO 0.00 0.00 -0.51 -2.22 0.00 0.00 0.00 176.54 173.81 1lx6 h ILE 24 N 0.00 1.48 -0.70 2.60 2.04 -0.89 -3.10 117.51 118.95 1lx6 h ILE 24 Ca -0.00 -2.11 -0.04 0.00 1.00 0.00 0.00 64.86 63.71 1lx6 h ILE 24 Cb 0.13 2.76 -0.03 0.00 -0.74 0.00 0.00 36.82 38.94 1lx6 h ILE 24 CO 0.01 0.60 0.30 0.00 0.00 0.00 0.00 178.15 179.06 1lx6 h ALA 25 N 0.26 0.90 -0.61 1.87 0.00 -0.53 -2.03 119.26 119.13 1lx6 h ALA 25 Ca -0.07 -0.17 0.12 0.00 0.00 0.00 0.00 54.91 54.79 1lx6 h ALA 25 Cb 1.26 -0.27 -0.12 0.00 0.00 0.00 0.00 17.79 18.66 1lx6 h ALA 25 CO 0.10 0.51 -0.19 1.96 0.00 0.00 0.00 179.25 181.63 1lx6 h GLN 26 N 0.99 -0.04 -0.04 0.00 4.20 -1.17 0.11 115.11 119.17 1lx6 h GLN 26 Ca 0.24 0.00 -0.17 0.00 0.06 0.00 0.00 58.65 58.78 1lx6 h GLN 26 Cb 0.18 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.95 1lx6 h GLN 26 CO -0.02 -0.02 -0.73 0.00 -0.67 0.00 0.00 178.83 177.38 1lx6 h ALA 27 N 1.49 0.69 -0.06 3.87 0.00 -1.40 -1.80 119.26 122.05 1lx6 h ALA 27 Ca 0.28 -0.63 -0.15 0.00 0.00 0.00 0.00 54.91 54.42 1lx6 h ALA 27 Cb 0.48 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1lx6 h ALA 27 CO -0.64 0.82 -0.62 0.52 0.00 0.00 0.00 179.25 179.32 1lx6 h MET 28 N 0.15 0.22 0.12 0.00 2.86 -0.64 -2.11 114.93 115.53 1lx6 h MET 28 Ca -0.02 -0.16 -0.01 0.00 -2.06 0.00 0.00 59.70 57.45 1lx6 h MET 28 Cb 1.30 0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.98 1lx6 h MET 28 CO 0.11 0.77 -0.06 1.25 1.06 0.00 0.00 176.91 180.04 1lx6 h HIS 29 N 0.16 -0.15 -0.91 -0.22 6.17 -0.71 0.26 115.15 119.75 1lx6 h HIS 29 Ca -0.01 -0.00 0.14 0.00 0.71 0.00 0.00 60.37 61.20 1lx6 h HIS 29 Cb 1.13 0.05 -0.07 0.00 2.52 0.00 0.00 27.41 31.04 1lx6 h HIS 29 CO 0.02 0.17 0.58 -0.09 0.71 0.00 0.00 177.93 179.32 1lx6 h ARG 30 N -0.49 0.73 -0.52 5.26 2.43 -1.29 0.72 114.38 121.23 1lx6 h ARG 30 Ca -0.02 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 1lx6 h ARG 30 Cb 0.39 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.78 1lx6 h ARG 30 CO 0.03 0.48 0.00 0.39 -1.51 0.00 0.00 179.97 179.36 1lx6 n GLU 31 N -4.57 1.84 -0.95 0.20 -0.58 -0.80 -4.76 120.64 111.03 1lx6 n GLU 31 Ca 0.17 -0.90 0.00 0.00 -0.42 0.00 0.00 57.16 56.01 1lx6 n GLU 31 Cb 0.44 -1.43 0.00 0.00 -0.57 0.00 0.00 31.44 29.88 1lx6 n GLU 31 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1lx6 n GLY 32 N 0.57 0.42 3.85 0.62 0.00 0.25 -0.13 105.19 110.77 1lx6 n GLY 32 Ca 0.08 -0.95 -0.32 0.00 0.00 0.00 0.00 46.02 44.84 1lx6 n GLY 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lx6 s ALA 33 N -2.00 3.18 -0.25 4.61 0.00 0.90 -2.97 121.76 125.24 1lx6 s ALA 33 Ca 0.00 0.07 -0.11 0.00 0.00 0.00 0.00 51.96 51.92 1lx6 s ALA 33 Cb 0.00 -2.95 -0.05 0.00 0.00 0.00 0.00 23.12 20.12 1lx6 s ALA 33 CO 0.00 -0.05 0.19 -1.21 0.00 0.00 0.00 175.76 174.68 1lx6 s GLU 34 N -3.76 4.04 0.27 0.00 2.02 0.11 -4.49 118.70 116.90 1lx6 s GLU 34 Ca 0.56 -0.25 0.07 0.00 0.02 0.00 0.00 54.97 55.37 1lx6 s GLU 34 Cb -0.10 -3.58 -0.03 0.00 0.10 0.00 0.00 34.13 30.52 1lx6 s GLU 34 CO 0.27 -0.02 0.22 -0.51 0.02 0.00 0.00 175.26 175.24 1lx6 s LEU 35 N 1.30 3.75 -0.02 1.80 1.43 -1.26 -0.58 118.68 125.10 1lx6 s LEU 35 Ca 0.08 -0.32 -0.08 0.00 -1.03 0.00 0.00 54.13 52.78 1lx6 s LEU 35 Cb -0.14 -2.30 0.01 0.00 0.03 0.00 0.00 46.19 43.78 1lx6 s LEU 35 CO 0.07 -0.12 0.16 0.00 0.23 0.00 0.00 176.35 176.69 1lx6 s ALA 36 N -2.18 -0.40 0.12 4.21 0.00 -0.93 -4.60 121.76 117.98 1lx6 s ALA 36 Ca 0.35 0.08 0.06 0.00 0.00 0.00 0.00 51.96 52.45 1lx6 s ALA 36 Cb -0.07 -0.00 -0.04 0.00 0.00 0.00 0.00 23.12 23.01 1lx6 s ALA 36 CO 0.25 -0.18 -0.15 -0.06 0.00 0.00 0.00 175.76 175.62 1lx6 s PHE 37 N -0.98 1.43 0.24 0.00 0.40 0.11 -0.08 117.98 119.11 1lx6 s PHE 37 Ca -0.11 -0.52 0.11 0.00 -0.60 0.00 0.00 56.93 55.81 1lx6 s PHE 37 Cb -0.06 -0.76 -0.05 0.00 0.51 0.00 0.00 43.02 42.67 1lx6 s PHE 37 CO 0.01 0.15 -0.19 0.95 0.70 0.00 0.00 175.22 176.84 1lx6 s THR 38 N -1.92 2.56 0.00 0.64 -4.23 -1.05 -0.60 115.64 111.04 1lx6 s THR 38 Ca 0.07 -2.20 0.02 0.00 -1.18 0.00 0.00 61.69 58.41 1lx6 s THR 38 Cb -0.06 -2.30 -0.01 0.00 1.34 0.00 0.00 72.50 71.47 1lx6 s THR 38 CO 0.03 -0.29 -0.08 -0.72 -0.54 0.00 0.00 174.62 173.03 1lx6 s TYR 39 N -2.17 0.68 0.07 3.99 1.13 0.29 -4.44 117.35 116.90 1lx6 s TYR 39 Ca 0.27 -0.18 -0.24 0.00 -1.41 0.00 0.00 57.07 55.51 1lx6 s TYR 39 Cb -0.06 -0.43 -0.16 0.00 -1.10 0.00 0.00 41.96 40.21 1lx6 s TYR 39 CO 0.14 -0.02 1.67 0.37 -2.51 0.00 0.00 175.55 175.20 1lx6 h GLN 40 N 5.72 -0.06 0.00 -3.49 4.15 -1.89 0.48 115.11 120.02 1lx6 h GLN 40 Ca -0.31 0.00 -0.30 0.00 0.77 0.00 0.00 58.65 58.82 1lx6 h GLN 40 Cb 1.19 0.01 -0.07 0.00 0.21 0.00 0.00 27.48 28.82 1lx6 h GLN 40 CO 0.48 0.03 -0.19 0.27 -1.93 0.00 0.00 178.83 177.49 1lx6 n ASN 41 N -5.08 -1.24 0.25 -0.69 2.04 -1.26 -4.25 115.26 105.02 1lx6 n ASN 41 Ca -0.08 -2.90 0.10 0.00 -0.44 0.00 0.00 54.58 51.26 1lx6 n ASN 41 Cb 0.08 2.37 0.65 0.00 -2.53 0.00 0.00 39.78 40.35 1lx6 n ASN 41 CO 0.00 0.00 0.00 0.44 -0.44 0.00 0.00 177.26 177.26 1lx6 h ASP 42 N 1.95 0.00 -0.70 0.53 3.45 -2.01 -2.08 116.42 117.56 1lx6 h ASP 42 Ca -0.26 0.00 0.15 0.00 0.43 0.00 0.00 57.03 57.35 1lx6 h ASP 42 Cb 1.17 0.00 -0.12 0.00 -0.56 0.00 0.00 39.33 39.82 1lx6 h ASP 42 CO 0.36 0.13 0.04 0.50 -1.57 0.00 0.00 179.24 178.70 1lx6 h LYS 43 N 0.00 0.14 -0.02 3.56 1.63 -2.01 -2.16 116.57 117.72 1lx6 h LYS 43 Ca -0.00 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.79 1lx6 h LYS 43 Cb 0.28 -0.03 0.00 0.00 -0.60 0.00 0.00 32.23 31.88 1lx6 h LYS 43 CO 0.02 0.09 -0.05 1.28 -3.45 0.00 0.00 179.45 177.34 1lx6 n LEU 44 N -5.28 1.92 0.07 5.20 4.77 -0.79 -4.64 117.00 118.26 1lx6 n LEU 44 Ca 0.12 -0.64 -0.05 0.00 -0.03 0.00 0.00 56.01 55.41 1lx6 n LEU 44 Cb 0.43 -0.01 -0.03 0.00 -2.33 0.00 0.00 43.42 41.48 1lx6 n LEU 44 CO 0.09 0.32 0.51 0.50 -1.33 0.00 0.00 177.39 177.48 1lx6 h LYS 45 N 2.94 -0.26 -1.08 3.23 3.64 -1.29 -1.30 116.57 122.46 1lx6 h LYS 45 Ca 0.00 0.02 0.31 0.00 -1.27 0.00 0.00 60.65 59.71 1lx6 h LYS 45 Cb 0.66 0.06 -0.12 0.00 -0.41 0.00 0.00 32.23 32.42 1lx6 h LYS 45 CO 0.00 -0.17 0.67 0.78 -2.27 0.00 0.00 179.45 178.45 1lx6 h GLY 46 N -0.27 1.59 0.56 5.01 0.00 -1.82 0.04 103.07 108.18 1lx6 h GLY 46 Ca -0.01 -0.21 -0.01 0.00 0.00 0.00 0.00 47.33 47.09 1lx6 h GLY 46 CO -0.03 -0.31 -0.08 3.21 0.00 0.00 0.00 176.54 179.32 1lx6 h ARG 47 N 0.34 -0.23 -0.35 4.80 3.08 -1.82 -2.51 114.38 117.71 1lx6 h ARG 47 Ca 0.69 0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.74 1lx6 h ARG 47 Cb 1.72 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 31.81 1lx6 h ARG 47 CO -0.44 0.16 0.15 0.28 -1.07 0.00 0.00 179.97 179.05 1lx6 h VAL 48 N -0.68 1.13 -0.38 2.04 2.07 -0.39 -0.94 116.25 119.09 1lx6 h VAL 48 Ca -0.02 -0.37 -0.07 0.00 0.82 0.00 0.00 66.70 67.05 1lx6 h VAL 48 Cb 0.49 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 30.94 1lx6 h VAL 48 CO 0.04 0.15 -0.04 -0.33 0.02 0.00 0.00 177.57 177.41 1lx6 h GLU 49 N 0.48 0.63 -0.35 1.57 5.08 -0.96 -0.61 114.58 120.42 1lx6 h GLU 49 Ca 0.12 -0.16 -0.10 0.00 -1.00 0.00 0.00 59.36 58.21 1lx6 h GLU 49 Cb 0.07 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1lx6 h GLU 49 CO -0.02 0.68 -0.19 0.93 -1.00 0.00 0.00 179.01 179.42 1lx6 h GLU 50 N 0.59 0.74 -0.27 2.33 5.08 -0.74 -1.63 114.58 120.68 1lx6 h GLU 50 Ca 0.12 -0.33 -0.01 0.00 -1.00 0.00 0.00 59.36 58.14 1lx6 h GLU 50 Cb 0.44 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 1lx6 h GLU 50 CO 0.02 0.94 0.14 0.74 -1.00 0.00 0.00 179.01 179.85 1lx6 h PHE 51 N 0.52 0.39 -0.39 4.33 0.04 -1.06 -2.42 116.94 118.34 1lx6 h PHE 51 Ca 0.08 -0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.83 1lx6 h PHE 51 Cb 0.73 -0.12 -0.02 0.00 2.20 0.00 0.00 35.95 38.74 1lx6 h PHE 51 CO 0.06 0.35 0.25 0.00 -0.60 0.00 0.00 178.31 178.37 1lx6 h ALA 52 N 1.00 0.49 -0.55 2.45 0.00 -1.04 -1.86 119.26 119.75 1lx6 h ALA 52 Ca 0.09 -0.04 0.10 0.00 0.00 0.00 0.00 54.91 55.06 1lx6 h ALA 52 Cb 0.10 -0.16 -0.08 0.00 0.00 0.00 0.00 17.79 17.66 1lx6 h ALA 52 CO -0.01 -0.03 0.13 0.00 0.00 0.00 0.00 179.25 179.34 1lx6 h ALA 53 N 1.13 0.65 -0.51 0.00 0.00 -1.16 -0.09 119.26 119.29 1lx6 h ALA 53 Ca 0.14 0.11 0.04 0.00 0.00 0.00 0.00 54.91 55.20 1lx6 h ALA 53 Cb -0.03 0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 1lx6 h ALA 53 CO -0.03 -0.28 0.25 1.96 0.00 0.00 0.00 179.25 181.15 1lx6 h GLN 54 N 0.28 0.48 -0.72 0.00 4.20 -0.92 -1.94 115.11 116.48 1lx6 h GLN 54 Ca 0.28 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.96 1lx6 h GLN 54 Cb 0.39 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.06 1lx6 h GLN 54 CO -0.35 0.32 0.00 1.28 -0.67 0.00 0.00 178.83 179.41 1lx6 n LEU 55 N -4.89 1.65 0.00 1.46 4.77 -0.55 -4.89 117.00 114.55 1lx6 n LEU 55 Ca 0.04 -0.83 0.00 0.00 -0.03 0.00 0.00 56.01 55.20 1lx6 n LEU 55 Cb 0.14 -0.43 0.00 0.00 -2.33 0.00 0.00 43.42 40.80 1lx6 n LEU 55 CO 0.29 0.29 0.00 0.61 -1.33 0.00 0.00 177.39 177.25 1lx6 n GLY 56 N 0.28 0.45 3.93 -0.72 0.00 -0.66 -4.72 105.19 103.74 1lx6 n GLY 56 Ca 0.05 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.87 1lx6 n GLY 56 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1lx6 s SER 57 N -2.22 5.83 -0.00 1.61 1.04 -0.16 -4.96 113.70 114.85 1lx6 s SER 57 Ca 0.00 -0.21 0.02 0.00 0.48 0.00 0.00 55.95 56.25 1lx6 s SER 57 Cb 0.00 -1.35 -0.03 0.00 0.10 0.00 0.00 66.02 64.74 1lx6 s SER 57 CO 0.00 -0.27 0.09 0.47 0.98 0.00 0.00 173.24 174.51 1lx6 n ASP 58 N -1.45 1.63 -4.55 7.02 8.00 -1.26 -3.26 116.55 122.67 1lx6 n ASP 58 Ca -0.04 -0.36 -0.41 0.00 0.71 0.00 0.00 54.79 54.69 1lx6 n ASP 58 Cb 0.58 1.04 -0.03 0.00 -0.02 0.00 0.00 41.12 42.69 1lx6 n ASP 58 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1lx6 s ILE 59 N -1.56 3.75 -0.34 0.53 1.01 -1.26 -4.94 121.20 118.38 1lx6 s ILE 59 Ca 0.00 0.21 0.01 0.00 0.00 0.00 0.00 60.65 60.87 1lx6 s ILE 59 Cb 0.02 -4.92 0.10 0.00 0.01 0.00 0.00 42.46 37.67 1lx6 s ILE 59 CO 0.10 -1.85 0.11 -0.69 0.00 0.00 0.00 174.94 172.61 1lx6 s VAL 60 N 5.70 1.30 -0.09 2.92 1.01 -1.25 0.10 120.40 130.09 1lx6 s VAL 60 Ca 0.38 -1.80 -0.02 0.00 0.00 0.00 0.00 61.98 60.54 1lx6 s VAL 60 Cb -0.07 -1.96 -0.03 0.00 0.00 0.00 0.00 36.38 34.31 1lx6 s VAL 60 CO 0.11 -0.69 0.02 -0.76 0.00 0.00 0.00 175.10 173.78 1lx6 s LEU 61 N 1.26 3.69 0.29 3.92 1.43 0.23 -4.95 118.68 124.56 1lx6 s LEU 61 Ca 0.11 0.18 -0.26 0.00 -1.03 0.00 0.00 54.13 53.13 1lx6 s LEU 61 Cb -0.19 -1.87 -0.09 0.00 0.03 0.00 0.00 46.19 44.07 1lx6 s LEU 61 CO -0.18 0.38 0.92 0.00 0.23 0.00 0.00 176.35 177.70 1lx6 s GLN 62 N -0.94 4.61 -0.30 1.70 1.03 -1.26 -0.55 119.66 123.96 1lx6 s GLN 62 Ca 0.14 1.31 -0.08 0.00 0.04 0.00 0.00 55.36 56.77 1lx6 s GLN 62 Cb -0.11 -2.93 0.15 0.00 0.03 0.00 0.00 33.01 30.14 1lx6 s GLN 62 CO 0.03 0.36 0.69 0.00 -2.54 0.00 0.00 175.29 173.83 1lx6 s ASP 64 N 2.84 5.16 0.00 0.00 2.15 -1.26 -3.92 116.67 121.64 1lx6 s ASP 64 Ca 0.02 -0.77 0.18 0.00 0.43 0.00 0.00 52.55 52.41 1lx6 s ASP 64 Cb -0.12 -1.88 0.98 0.00 -0.30 0.00 0.00 42.92 41.59 1lx6 s ASP 64 CO -0.19 -0.21 1.50 1.33 -0.17 0.00 0.00 175.17 177.43 1lx6 n VAL 65 N 4.86 0.25 0.27 1.11 0.24 -1.26 -2.42 118.33 121.39 1lx6 n VAL 65 Ca -0.14 0.06 0.12 0.00 -2.04 0.00 0.00 64.34 62.34 1lx6 n VAL 65 Cb 0.47 -0.78 0.16 0.00 -1.47 0.00 0.00 33.84 32.23 1lx6 n VAL 65 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1lx6 h ALA 66 N 2.97 0.86 -3.16 2.33 0.00 -1.94 -3.44 119.26 116.88 1lx6 h ALA 66 Ca 0.00 0.00 -0.69 0.00 0.00 0.00 0.00 54.91 54.22 1lx6 h ALA 66 Cb 0.08 0.00 -0.29 0.00 0.00 0.00 0.00 17.79 17.59 1lx6 h ALA 66 CO 0.00 0.00 -0.62 -1.21 0.00 0.00 0.00 179.25 177.42 1lx6 s GLU 67 N -3.23 2.67 0.20 0.00 0.41 -1.02 -4.99 118.70 112.76 1lx6 s GLU 67 Ca 0.06 -1.14 -0.12 0.00 -0.41 0.00 0.00 54.97 53.35 1lx6 s GLU 67 Cb 0.08 -3.43 0.24 0.00 -1.78 0.00 0.00 34.13 29.24 1lx6 s GLU 67 CO 0.69 -0.63 1.66 -0.44 -0.49 0.00 0.00 175.26 176.05 1lx6 h ASP 68 N 8.21 -0.33 -0.59 -0.19 3.32 -1.85 0.23 116.42 125.23 1lx6 h ASP 68 Ca -0.24 0.15 0.05 0.00 0.02 0.00 0.00 57.03 57.00 1lx6 h ASP 68 Cb 1.09 0.28 -0.03 0.00 0.22 0.00 0.00 39.33 40.88 1lx6 h ASP 68 CO 0.60 -0.13 0.39 0.00 -1.72 0.00 0.00 179.24 178.38 1lx6 h ALA 69 N 1.53 1.77 0.02 3.45 0.00 -1.94 -0.71 119.26 123.39 1lx6 h ALA 69 Ca 0.29 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.18 1lx6 h ALA 69 Cb 0.46 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1lx6 h ALA 69 CO -0.51 0.15 -0.01 1.03 0.00 0.00 0.00 179.25 179.90 1lx6 h SER 70 N 0.62 -0.03 -0.86 0.00 0.87 -1.24 -1.15 113.55 111.76 1lx6 h SER 70 Ca 0.25 -0.28 0.05 0.00 -1.23 0.00 0.00 61.79 60.58 1lx6 h SER 70 Cb 0.20 0.01 -0.06 0.00 -0.44 0.00 0.00 62.40 62.10 1lx6 h SER 70 CO -0.07 0.27 0.54 0.40 -0.53 0.00 0.00 176.83 177.44 1lx6 h ILE 71 N -0.32 1.07 -0.15 2.23 2.04 -0.55 -1.62 117.51 120.22 1lx6 h ILE 71 Ca -0.00 -0.35 -0.00 0.00 1.00 0.00 0.00 64.86 65.51 1lx6 h ILE 71 Cb 0.30 -0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 36.35 1lx6 h ILE 71 CO 0.01 0.18 0.08 0.44 0.00 0.00 0.00 178.15 178.86 1lx6 h ASP 72 N 1.01 0.18 -0.40 1.72 5.19 -1.06 -2.25 116.42 120.82 1lx6 h ASP 72 Ca 0.37 -0.07 0.04 0.00 -0.62 0.00 0.00 57.03 56.75 1lx6 h ASP 72 Cb 0.12 -0.05 -0.04 0.00 0.18 0.00 0.00 39.33 39.54 1lx6 h ASP 72 CO -0.15 0.19 0.16 0.74 -3.12 0.00 0.00 179.24 177.05 1lx6 h THR 73 N 0.15 0.91 -0.47 0.35 2.02 -0.41 -1.35 112.91 114.10 1lx6 h THR 73 Ca 0.05 -0.11 -0.02 0.00 0.77 0.00 0.00 66.41 67.10 1lx6 h THR 73 Cb 0.05 0.55 -0.02 0.00 -1.74 0.00 0.00 68.15 66.99 1lx6 h THR 73 CO -0.01 0.06 0.20 -0.03 0.37 0.00 0.00 175.52 176.11 1lx6 h MET 74 N 0.33 0.67 0.00 6.66 1.85 -1.18 -0.53 114.93 122.73 1lx6 h MET 74 Ca 0.18 -0.09 0.00 0.00 -0.61 0.00 0.00 59.70 59.18 1lx6 h MET 74 Cb 0.14 -0.13 0.00 0.00 0.43 0.00 0.00 31.60 32.04 1lx6 h MET 74 CO -0.17 0.55 0.00 1.19 -0.40 0.00 0.00 176.91 178.08 1lx6 n PHE 75 N -4.36 0.01 -0.02 1.39 3.72 -0.57 -0.94 117.46 116.68 1lx6 n PHE 75 Ca 0.04 0.00 -0.19 0.00 -0.05 0.00 0.00 57.45 57.25 1lx6 n PHE 75 Cb 0.15 -0.50 -0.13 0.00 -0.94 0.00 0.00 39.48 38.05 1lx6 n PHE 75 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1lx6 h ALA 76 N 2.89 0.06 -0.19 4.37 0.00 -0.49 -2.43 119.26 123.48 1lx6 h ALA 76 Ca 0.00 -0.81 -0.01 0.00 0.00 0.00 0.00 54.91 54.09 1lx6 h ALA 76 Cb 0.45 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 1lx6 h ALA 76 CO 0.00 0.42 0.08 0.93 0.00 0.00 0.00 179.25 180.68 1lx6 h GLU 77 N -0.65 0.28 -0.81 0.00 4.39 -1.24 -2.34 114.58 114.20 1lx6 h GLU 77 Ca -0.17 -0.05 0.08 0.00 0.34 0.00 0.00 59.36 59.56 1lx6 h GLU 77 Cb 1.41 -0.05 -0.07 0.00 -0.10 0.00 0.00 28.75 29.95 1lx6 h GLU 77 CO 0.02 0.34 0.47 1.25 -1.16 0.00 0.00 179.01 179.93 1lx6 h LEU 78 N 0.15 0.70 -2.02 1.33 5.85 -1.16 0.11 115.31 120.27 1lx6 h LEU 78 Ca 0.06 0.04 0.08 0.00 0.84 0.00 0.00 57.88 58.90 1lx6 h LEU 78 Cb 0.16 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.08 1lx6 h LEU 78 CO -0.01 0.42 0.21 1.23 -0.34 0.00 0.00 178.44 179.95 1lx6 h GLY 79 N 0.82 0.00 2.00 3.75 0.00 -0.90 0.35 103.07 109.09 1lx6 h GLY 79 Ca 0.38 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.68 1lx6 h GLY 79 CO -0.22 0.00 -0.12 0.50 0.00 0.00 0.00 176.54 176.70 1lx6 h LYS 80 N 0.00 0.00 0.00 4.80 1.57 -0.62 -3.02 116.57 119.31 1lx6 h LYS 80 Ca 0.14 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.67 1lx6 h LYS 80 Cb 0.56 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.82 1lx6 h LYS 80 CO -0.00 0.12 -1.92 1.55 -0.57 0.00 0.00 179.45 178.63 1lx6 n VAL 81 N -4.23 0.92 -3.92 0.50 3.14 -0.58 -4.83 118.33 109.33 1lx6 n VAL 81 Ca -0.03 -0.44 -0.29 0.00 -2.96 0.00 0.00 64.34 60.62 1lx6 n VAL 81 Cb 0.20 -0.90 -0.13 0.00 -1.06 0.00 0.00 33.84 31.95 1lx6 n VAL 81 CO 0.00 0.00 0.00 0.26 -6.46 0.00 0.00 176.83 170.63 1lx6 s TRP 82 N -2.32 3.40 0.49 1.45 0.52 0.11 -4.91 118.94 117.68 1lx6 s TRP 82 Ca -0.15 -3.26 0.14 0.00 0.02 0.00 0.00 56.10 52.84 1lx6 s TRP 82 Cb 0.05 -2.77 1.15 0.00 -1.15 0.00 0.00 33.47 30.75 1lx6 s TRP 82 CO 0.44 -0.64 2.12 -1.35 0.02 0.00 0.00 176.95 177.55 1lx6 h PRO 83 N 5.92 0.15 -3.97 4.98 0.11 -1.76 -3.35 132.00 134.07 1lx6 h PRO 83 Ca 0.04 -0.01 -0.20 0.00 0.11 0.00 0.00 66.00 65.94 1lx6 h PRO 83 Cb 0.82 -0.03 -0.23 0.00 0.11 0.00 0.00 31.00 31.66 1lx6 h PRO 83 CO 0.71 0.10 -0.71 0.15 -0.21 0.00 0.00 178.00 178.04 1lx6 s LYS 84 N -5.18 0.25 0.23 1.05 -0.14 -1.26 -4.70 119.74 109.99 1lx6 s LYS 84 Ca -0.06 -0.43 -0.01 0.00 -1.36 0.00 0.00 55.97 54.11 1lx6 s LYS 84 Cb 0.17 0.02 0.00 0.00 -1.68 0.00 0.00 37.83 36.35 1lx6 s LYS 84 CO 0.69 -0.02 0.31 1.97 -0.76 0.00 0.00 175.35 177.54 1lx6 n PHE 85 N 2.06 -1.06 -1.15 3.18 -1.74 -1.08 -4.97 117.46 112.70 1lx6 n PHE 85 Ca -0.20 -1.56 0.09 0.00 -0.56 0.00 0.00 57.45 55.22 1lx6 n PHE 85 Cb 0.57 0.35 0.15 0.00 1.52 0.00 0.00 39.48 42.07 1lx6 n PHE 85 CO 0.00 0.00 0.00 -0.25 -0.56 0.00 0.00 176.76 175.95 1lx6 n ASP 86 N -1.83 2.29 0.00 5.98 8.00 -0.06 -0.39 116.55 130.54 1lx6 n ASP 86 Ca 0.01 -3.21 0.00 0.00 0.71 0.00 0.00 54.79 52.30 1lx6 n ASP 86 Cb 0.39 -0.45 0.00 0.00 -0.02 0.00 0.00 41.12 41.04 1lx6 n ASP 86 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1lx6 n GLY 87 N -1.37 1.49 3.28 0.44 0.00 -1.25 -1.11 105.19 106.66 1lx6 n GLY 87 Ca 0.17 -2.06 -0.11 0.00 0.00 0.00 0.00 46.02 44.02 1lx6 n GLY 87 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1lx6 s PHE 88 N -1.27 0.96 -0.25 1.61 -0.12 -1.22 -1.52 117.98 116.17 1lx6 s PHE 88 Ca 0.00 -1.22 0.01 0.00 -0.05 0.00 0.00 56.93 55.67 1lx6 s PHE 88 Cb 0.00 -0.39 0.05 0.00 -0.63 0.00 0.00 43.02 42.05 1lx6 s PHE 88 CO 0.00 -0.71 -0.10 0.08 -0.05 0.00 0.00 175.22 174.44 1lx6 s VAL 89 N -4.12 2.39 -0.45 -2.49 1.01 0.82 -2.63 120.40 114.93 1lx6 s VAL 89 Ca 0.34 -1.38 -0.25 0.00 0.00 0.00 0.00 61.98 60.69 1lx6 s VAL 89 Cb 0.05 -2.31 0.03 0.00 0.00 0.00 0.00 36.38 34.15 1lx6 s VAL 89 CO 0.11 0.09 0.89 -2.28 0.00 0.00 0.00 175.10 173.90 1lx6 s HIS 90 N 1.19 2.95 -0.38 5.22 2.46 0.22 -2.31 115.29 124.64 1lx6 s HIS 90 Ca -0.05 0.33 0.12 0.00 0.47 0.00 0.00 55.06 55.94 1lx6 s HIS 90 Cb -0.18 -3.87 0.42 0.00 -0.13 0.00 0.00 32.58 28.82 1lx6 s HIS 90 CO -0.06 -1.06 0.96 0.45 -2.47 0.00 0.00 174.74 172.56 1lx6 n SER 91 N 7.02 2.48 -4.35 9.88 2.88 -1.26 -3.23 113.62 127.05 1lx6 n SER 91 Ca 0.05 -3.11 -0.31 0.00 -1.33 0.00 0.00 58.87 54.16 1lx6 n SER 91 Cb 0.48 -0.53 -0.15 0.00 -0.75 0.00 0.00 64.21 63.26 1lx6 n SER 91 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1lx6 s ILE 92 N -3.78 2.31 -0.04 2.46 1.01 -1.26 -4.22 121.20 117.69 1lx6 s ILE 92 Ca 0.37 -1.01 -0.31 0.00 0.00 0.00 0.00 60.65 59.70 1lx6 s ILE 92 Cb 0.41 -1.83 0.07 0.00 0.01 0.00 0.00 42.46 41.12 1lx6 s ILE 92 CO -0.06 0.58 0.69 -0.83 0.00 0.00 0.00 174.94 175.32 1lx6 s GLY 93 N -0.61 -0.57 -0.22 6.18 0.00 -1.26 -4.66 107.32 106.18 1lx6 s GLY 93 Ca 0.10 1.30 -0.31 0.00 0.00 0.00 0.00 44.72 45.81 1lx6 s GLY 93 CO -0.00 0.92 1.20 -0.12 0.00 0.00 0.00 173.10 175.10 1lx6 s PHE 94 N -1.32 -0.17 -0.21 1.90 5.36 -1.26 -4.90 117.98 117.38 1lx6 s PHE 94 Ca -0.10 0.25 -0.27 0.00 -0.96 0.00 0.00 56.93 55.85 1lx6 s PHE 94 Cb -0.00 0.49 0.10 0.00 -0.34 0.00 0.00 43.02 43.27 1lx6 s PHE 94 CO 0.09 -0.18 0.90 0.00 -1.46 0.00 0.00 175.22 174.56 1lx6 s ALA 95 N -1.40 -1.89 0.26 11.12 0.00 -1.26 -3.89 121.76 124.70 1lx6 s ALA 95 Ca 0.05 1.75 -0.30 0.00 0.00 0.00 0.00 51.96 53.46 1lx6 s ALA 95 Cb -0.01 -0.97 -0.11 0.00 0.00 0.00 0.00 23.12 22.04 1lx6 s ALA 95 CO -0.04 -0.30 1.56 -2.14 0.00 0.00 0.00 175.76 174.84 1lx6 s PRO 96 N -0.29 4.17 0.30 0.00 0.02 -1.26 -4.91 135.00 133.02 1lx6 s PRO 96 Ca -0.01 2.49 0.04 0.00 0.02 0.00 0.00 61.00 63.54 1lx6 s PRO 96 Cb -0.03 -3.06 0.78 0.00 0.02 0.00 0.00 34.50 32.21 1lx6 s PRO 96 CO -0.00 -0.58 1.64 0.78 -0.33 0.00 0.00 177.00 178.51 1lx6 h GLY 97 N 5.25 1.47 0.90 0.52 0.00 -2.00 -0.27 103.07 108.95 1lx6 h GLY 97 Ca -0.46 -0.05 0.15 0.00 0.00 0.00 0.00 47.33 46.97 1lx6 h GLY 97 CO 0.81 -0.41 0.40 1.29 0.00 0.00 0.00 176.54 178.64 1lx6 h ASP 98 N 0.20 0.07 -0.71 0.19 2.03 -1.96 -1.50 116.42 114.74 1lx6 h ASP 98 Ca 0.59 0.00 -0.02 0.00 -0.73 0.00 0.00 57.03 56.87 1lx6 h ASP 98 Cb 1.23 -0.01 -0.03 0.00 -0.83 0.00 0.00 39.33 39.68 1lx6 h ASP 98 CO -0.67 0.04 0.38 1.56 -1.03 0.00 0.00 179.24 179.51 1lx6 h GLN 99 N 0.08 1.01 -0.84 4.15 1.08 -1.28 -3.23 115.11 116.07 1lx6 h GLN 99 Ca 0.27 -0.12 -0.05 0.00 -1.45 0.00 0.00 58.65 57.30 1lx6 h GLN 99 Cb 0.97 -0.20 -0.03 0.00 -0.05 0.00 0.00 27.48 28.18 1lx6 h GLN 99 CO -0.02 0.76 0.06 1.28 -0.95 0.00 0.00 178.83 179.96 1lx6 n LEU 100 N -4.35 3.57 -3.78 1.46 4.77 -0.56 -4.58 117.00 113.53 1lx6 n LEU 100 Ca 0.07 -1.83 -0.14 0.00 -0.03 0.00 0.00 56.01 54.09 1lx6 n LEU 100 Cb 0.11 -0.60 -0.15 0.00 -2.33 0.00 0.00 43.42 40.45 1lx6 n LEU 100 CO 0.38 0.50 -0.29 -1.81 -1.33 0.00 0.00 177.39 174.84 1lx6 s ASP 101 N -0.31 -0.03 0.00 -1.43 1.11 -1.22 -4.55 116.67 110.24 1lx6 s ASP 101 Ca 0.26 0.16 0.00 0.00 0.18 0.00 0.00 52.55 53.15 1lx6 s ASP 101 Cb 0.20 0.07 0.00 0.00 1.07 0.00 0.00 42.92 44.27 1lx6 s ASP 101 CO 0.07 -0.11 0.00 0.61 1.18 0.00 0.00 175.17 176.92 1lx6 n GLY 102 N 3.94 -2.38 3.67 0.21 0.00 -1.26 -4.82 105.19 104.55 1lx6 n GLY 102 Ca -0.24 -1.73 -0.56 0.00 0.00 0.00 0.00 46.02 43.50 1lx6 n GLY 102 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1lx6 n ASP 103 N 0.15 2.15 0.11 1.61 -0.08 -1.26 -4.31 116.55 114.93 1lx6 n ASP 103 Ca 0.00 1.09 -0.13 0.00 -1.51 0.00 0.00 54.79 54.24 1lx6 n ASP 103 Cb 0.00 -1.15 -0.06 0.00 2.34 0.00 0.00 41.12 42.25 1lx6 n ASP 103 CO 0.00 0.00 0.00 0.22 0.12 0.00 0.00 177.20 177.54 1lx6 h TYR 104 N 6.39 -0.92 -0.82 -0.67 3.20 -1.93 -0.68 116.97 121.55 1lx6 h TYR 104 Ca -0.47 0.02 0.15 0.00 3.14 0.00 0.00 58.73 61.58 1lx6 h TYR 104 Cb 1.32 0.39 -0.06 0.00 1.54 0.00 0.00 36.73 39.93 1lx6 h TYR 104 CO 0.72 -0.44 0.54 0.28 -1.64 0.00 0.00 178.16 177.62 1lx6 h VAL 105 N -0.55 0.79 0.00 1.81 2.07 -1.95 -0.31 116.25 118.10 1lx6 h VAL 105 Ca 0.03 -0.17 -0.24 0.00 0.82 0.00 0.00 66.70 67.14 1lx6 h VAL 105 Cb 0.59 0.24 -0.04 0.00 -1.52 0.00 0.00 31.29 30.57 1lx6 h VAL 105 CO -0.21 0.09 -1.30 0.78 0.02 0.00 0.00 177.57 176.96 1lx6 h ASN 106 N 0.50 0.00 -0.03 0.57 2.35 -1.86 -3.37 115.58 113.75 1lx6 h ASN 106 Ca 0.41 0.00 -0.20 0.00 -0.55 0.00 0.00 56.30 55.96 1lx6 h ASN 106 Cb 0.85 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.23 1lx6 h ASN 106 CO -0.15 0.95 -0.75 0.00 -1.65 0.00 0.00 177.43 175.82 1lx6 h ALA 107 N 1.05 0.13 -2.83 -0.83 0.00 -0.18 -3.47 119.26 113.14 1lx6 h ALA 107 Ca -0.14 -0.61 -0.55 0.00 0.00 0.00 0.00 54.91 53.62 1lx6 h ALA 107 Cb 1.84 0.03 0.12 0.00 0.00 0.00 0.00 17.79 19.78 1lx6 h ALA 107 CO 0.10 0.50 0.65 1.55 0.00 0.00 0.00 179.25 182.05 1lx6 n VAL 108 N -4.07 2.36 -4.03 0.00 3.14 -0.22 -4.58 118.33 110.93 1lx6 n VAL 108 Ca -0.10 -0.50 -0.08 0.00 -2.96 0.00 0.00 64.34 60.70 1lx6 n VAL 108 Cb 0.74 -1.78 -0.09 0.00 -1.06 0.00 0.00 33.84 31.64 1lx6 n VAL 108 CO 0.00 0.00 0.00 0.42 -6.46 0.00 0.00 176.83 170.79 1lx6 s THR 109 N -1.15 0.19 0.16 1.55 -4.23 -1.26 -5.01 115.64 105.89 1lx6 s THR 109 Ca 0.58 -1.65 -0.15 0.00 -1.18 0.00 0.00 61.69 59.29 1lx6 s THR 109 Cb -0.49 -1.50 0.05 0.00 1.34 0.00 0.00 72.50 71.90 1lx6 s THR 109 CO 0.60 -0.87 1.73 -0.09 -0.54 0.00 0.00 174.62 175.45 1lx6 h ARG 110 N 3.02 0.22 -0.36 3.99 2.43 -1.99 0.83 114.38 122.53 1lx6 h ARG 110 Ca -0.34 -0.01 -0.14 0.00 -0.81 0.00 0.00 59.98 58.68 1lx6 h ARG 110 Cb 1.16 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.65 1lx6 h ARG 110 CO 0.63 0.15 -0.32 1.49 -1.51 0.00 0.00 179.97 180.40 1lx6 h GLU 111 N 0.23 0.79 -0.43 0.20 4.57 -1.99 -1.77 114.58 116.17 1lx6 h GLU 111 Ca 0.19 -0.37 -0.04 0.00 -1.18 0.00 0.00 59.36 57.95 1lx6 h GLU 111 Cb 0.21 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.77 1lx6 h GLU 111 CO -0.23 1.00 0.10 0.78 -1.18 0.00 0.00 179.01 179.48 1lx6 h GLY 112 N 0.93 0.74 0.99 1.92 0.00 -1.87 -1.66 103.07 104.12 1lx6 h GLY 112 Ca 0.07 -0.47 -0.00 0.00 0.00 0.00 0.00 47.33 46.93 1lx6 h GLY 112 CO 0.08 0.43 0.26 -2.75 0.00 0.00 0.00 176.54 174.56 1lx6 h PHE 113 N 0.56 0.56 0.46 5.60 3.04 -0.78 -2.14 116.94 124.25 1lx6 h PHE 113 Ca 0.13 -0.00 -0.01 0.00 3.98 0.00 0.00 57.97 62.07 1lx6 h PHE 113 Cb 0.32 -0.18 -0.02 0.00 2.56 0.00 0.00 35.95 38.63 1lx6 h PHE 113 CO 0.02 0.40 -0.41 -0.22 -2.02 0.00 0.00 178.31 176.07 1lx6 h LYS 114 N 0.56 -0.84 -0.09 1.11 3.11 -1.08 -2.37 116.57 116.96 1lx6 h LYS 114 Ca 0.15 0.06 0.03 0.00 -2.81 0.00 0.00 60.65 58.08 1lx6 h LYS 114 Cb -0.00 0.19 -0.03 0.00 -1.00 0.00 0.00 32.23 31.39 1lx6 h LYS 114 CO -0.03 -0.56 -0.09 0.82 -2.81 0.00 0.00 179.45 176.77 1lx6 h ILE 115 N -0.88 0.74 -0.81 2.00 2.04 -1.29 -0.87 117.51 118.44 1lx6 h ILE 115 Ca -0.05 0.00 0.13 0.00 1.00 0.00 0.00 64.86 65.94 1lx6 h ILE 115 Cb 0.76 0.74 -0.09 0.00 -0.74 0.00 0.00 36.82 37.49 1lx6 h ILE 115 CO -0.03 0.00 0.40 0.00 0.00 0.00 0.00 178.15 178.52 1lx6 h ALA 116 N 0.95 1.18 0.04 1.87 0.00 -1.33 0.10 119.26 122.07 1lx6 h ALA 116 Ca 0.07 0.08 -0.27 0.00 0.00 0.00 0.00 54.91 54.79 1lx6 h ALA 116 Cb 0.21 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.01 1lx6 h ALA 116 CO -0.16 -0.09 -1.09 0.45 0.00 0.00 0.00 179.25 178.36 1lx6 h HIS 117 N 0.60 0.89 0.28 0.00 3.86 -1.32 -2.29 115.15 117.17 1lx6 h HIS 117 Ca 0.43 -0.52 -0.01 0.00 -1.16 0.00 0.00 60.37 59.11 1lx6 h HIS 117 Cb 0.57 -0.09 0.00 0.00 1.06 0.00 0.00 27.41 28.96 1lx6 h HIS 117 CO -0.10 1.35 -0.14 0.22 0.86 0.00 0.00 177.93 180.12 1lx6 h ASP 118 N 0.30 -0.32 -0.15 2.45 3.58 -0.62 0.72 116.42 122.38 1lx6 h ASP 118 Ca -0.13 -0.16 -0.08 0.00 0.42 0.00 0.00 57.03 57.08 1lx6 h ASP 118 Cb 1.75 0.08 -0.00 0.00 1.72 0.00 0.00 39.33 42.88 1lx6 h ASP 118 CO 0.20 -0.01 -0.23 0.40 -2.88 0.00 0.00 179.24 176.73 1lx6 h ILE 119 N -0.65 1.36 0.10 2.25 1.08 -1.15 -2.29 117.51 118.22 1lx6 h ILE 119 Ca -0.04 -1.46 -0.26 0.00 -0.39 0.00 0.00 64.86 62.71 1lx6 h ILE 119 Cb 0.46 1.96 0.00 0.00 -3.07 0.00 0.00 36.82 36.17 1lx6 h ILE 119 CO 0.06 0.43 -1.18 0.28 -0.69 0.00 0.00 178.15 177.06 1lx6 h SER 120 N 0.02 0.41 0.00 1.72 0.02 -1.52 -3.37 113.55 110.84 1lx6 h SER 120 Ca 0.01 -0.42 -0.18 0.00 -0.84 0.00 0.00 61.79 60.36 1lx6 h SER 120 Cb 0.80 -0.13 -0.03 0.00 0.14 0.00 0.00 62.40 63.18 1lx6 h SER 120 CO 0.05 1.31 -1.47 -0.24 -1.14 0.00 0.00 176.83 175.33 1lx6 n SER 121 N -3.56 1.49 -0.11 3.07 2.88 -0.09 -4.79 113.62 112.51 1lx6 n SER 121 Ca -0.08 0.25 -0.09 0.00 -1.33 0.00 0.00 58.87 57.63 1lx6 n SER 121 Cb 0.99 -0.58 -0.01 0.00 -0.75 0.00 0.00 64.21 63.85 1lx6 n SER 121 CO 0.00 0.00 0.00 0.22 -1.23 0.00 0.00 175.04 174.03 1lx6 h TYR 122 N -0.68 0.46 -1.25 0.66 3.20 -0.77 -3.12 116.97 115.46 1lx6 h TYR 122 Ca -0.28 0.00 0.38 0.00 3.14 0.00 0.00 58.73 61.97 1lx6 h TYR 122 Cb 1.11 -0.15 -0.11 0.00 1.54 0.00 0.00 36.73 39.12 1lx6 h TYR 122 CO -0.16 0.33 0.83 0.66 -1.64 0.00 0.00 178.16 178.17 1lx6 h SER 123 N 0.46 0.27 0.20 -2.11 4.64 -1.58 0.73 113.55 116.16 1lx6 h SER 123 Ca 0.13 0.10 -0.01 0.00 -0.47 0.00 0.00 61.79 61.53 1lx6 h SER 123 Cb -0.00 0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 1lx6 h SER 123 CO -0.02 -0.07 -0.10 0.15 -0.87 0.00 0.00 176.83 175.92 1lx6 h PHE 124 N 0.17 -0.26 0.00 4.77 3.57 -1.83 0.18 116.94 123.53 1lx6 h PHE 124 Ca 0.73 -0.01 -0.15 0.00 3.53 0.00 0.00 57.97 62.07 1lx6 h PHE 124 Cb 2.27 0.08 -0.02 0.00 2.79 0.00 0.00 35.95 41.07 1lx6 h PHE 124 CO -0.00 -0.14 -0.70 -0.24 -2.23 0.00 0.00 178.31 175.00 1lx6 h VAL 125 N -0.30 1.44 -0.40 1.41 3.04 -1.22 -1.71 116.25 118.51 1lx6 h VAL 125 Ca -0.03 -2.45 0.02 0.00 -1.01 0.00 0.00 66.70 63.23 1lx6 h VAL 125 Cb 0.23 2.34 -0.03 0.00 -2.01 0.00 0.00 31.29 31.83 1lx6 h VAL 125 CO 0.05 0.69 0.23 0.00 -1.01 0.00 0.00 177.57 177.52 1lx6 h ALA 126 N 1.30 0.50 -0.17 3.17 0.00 -0.63 0.37 119.26 123.80 1lx6 h ALA 126 Ca -0.01 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 1lx6 h ALA 126 Cb 1.29 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 1lx6 h ALA 126 CO 0.09 -0.10 -0.21 0.52 0.00 0.00 0.00 179.25 179.55 1lx6 h MET 127 N 0.47 0.44 -0.23 0.00 2.07 -0.82 -3.04 114.93 113.81 1lx6 h MET 127 Ca 0.16 -0.25 0.06 0.00 -2.07 0.00 0.00 59.70 57.60 1lx6 h MET 127 Cb 0.01 0.02 -0.07 0.00 -1.87 0.00 0.00 31.60 29.69 1lx6 h MET 127 CO -0.07 0.83 -0.21 0.00 1.07 0.00 0.00 176.91 178.52 1lx6 h ALA 128 N 0.60 -0.09 -0.89 6.32 0.00 -0.60 -1.28 119.26 123.33 1lx6 h ALA 128 Ca 0.02 0.08 0.22 0.00 0.00 0.00 0.00 54.91 55.22 1lx6 h ALA 128 Cb 0.77 0.45 -0.12 0.00 0.00 0.00 0.00 17.79 18.89 1lx6 h ALA 128 CO 0.05 -0.64 0.40 -0.22 0.00 0.00 0.00 179.25 178.84 1lx6 h LYS 129 N -0.22 0.40 0.00 0.00 3.64 -0.31 -0.04 116.57 120.04 1lx6 h LYS 129 Ca 0.13 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.49 1lx6 h LYS 129 Cb 0.42 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.15 1lx6 h LYS 129 CO -0.36 0.27 -0.13 0.00 -2.27 0.00 0.00 179.45 176.95 1lx6 h ALA 130 N 1.70 0.93 -0.08 5.00 0.00 -1.14 -3.26 119.26 122.41 1lx6 h ALA 130 Ca 0.55 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.46 1lx6 h ALA 130 Cb 1.04 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1lx6 h ALA 130 CO -0.52 0.00 0.00 0.00 0.00 0.00 0.00 179.25 178.73 1lx6 h ARG 132 N 0.59 0.37 0.00 0.00 2.43 -1.07 0.87 114.38 117.58 1lx6 h ARG 132 Ca 0.00 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1lx6 h ARG 132 Cb 0.46 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.93 1lx6 h ARG 132 CO 0.00 0.25 -0.05 -1.13 -1.51 0.00 0.00 179.97 177.52 1lx6 n SER 133 N -5.06 0.70 0.04 -3.80 3.41 -1.26 -3.32 113.62 104.32 1lx6 n SER 133 Ca 0.21 0.52 -0.07 0.00 -0.26 0.00 0.00 58.87 59.28 1lx6 n SER 133 Cb 0.64 -0.67 -0.12 0.00 -0.26 0.00 0.00 64.21 63.79 1lx6 n SER 133 CO 0.00 0.00 0.00 0.24 -0.16 0.00 0.00 175.04 175.12 1lx6 h MET 134 N 0.00 0.00 -6.89 4.33 2.86 -1.12 -3.47 114.93 110.63 1lx6 h MET 134 Ca 0.00 0.00 -0.53 0.00 -2.06 0.00 0.00 59.70 57.11 1lx6 h MET 134 Cb 0.70 0.00 0.10 0.00 0.06 0.00 0.00 31.60 32.46 1lx6 h MET 134 CO 0.00 0.81 0.80 -0.51 1.06 0.00 0.00 176.91 179.07 1lx6 s LEU 135 N -6.48 4.33 0.30 1.22 1.43 -0.88 -2.63 118.68 115.97 1lx6 s LEU 135 Ca -0.01 2.99 -0.12 0.00 -1.03 0.00 0.00 54.13 55.96 1lx6 s LEU 135 Cb 0.09 -3.66 -0.08 0.00 0.03 0.00 0.00 46.19 42.58 1lx6 s LEU 135 CO 0.82 -0.86 0.67 0.20 0.23 0.00 0.00 176.35 177.40 1lx6 s ASN 136 N 0.05 6.69 0.48 2.29 0.01 0.48 -4.86 114.94 120.07 1lx6 s ASN 136 Ca 0.56 1.12 -0.24 0.00 -0.71 0.00 0.00 52.86 53.59 1lx6 s ASN 136 Cb -0.46 -2.31 -0.07 0.00 0.41 0.00 0.00 41.25 38.82 1lx6 s ASN 136 CO 0.57 -0.18 1.38 -2.84 -1.51 0.00 0.00 177.10 174.53 1lx6 s PRO 137 N -3.03 3.50 0.00 -0.60 0.02 -1.26 -1.69 135.00 131.94 1lx6 s PRO 137 Ca 0.51 2.30 0.00 0.00 0.02 0.00 0.00 61.00 63.83 1lx6 s PRO 137 Cb -0.11 -2.50 0.00 0.00 0.02 0.00 0.00 34.50 31.91 1lx6 s PRO 137 CO 0.20 -0.93 0.00 0.41 -0.33 0.00 0.00 177.00 176.36 1lx6 n GLY 138 N 0.64 0.76 3.76 0.52 0.00 0.17 -5.05 105.19 105.99 1lx6 n GLY 138 Ca 0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 1lx6 n GLY 138 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1lx6 s SER 139 N -2.40 4.12 -0.12 1.61 0.01 -0.68 -4.87 113.70 111.36 1lx6 s SER 139 Ca 0.00 1.45 -0.10 0.00 1.31 0.00 0.00 55.95 58.61 1lx6 s SER 139 Cb 0.00 -2.17 0.03 0.00 0.21 0.00 0.00 66.02 64.09 1lx6 s SER 139 CO 0.00 -2.23 0.31 0.00 0.41 0.00 0.00 173.24 171.73 1lx6 s ALA 140 N -3.03 -0.76 -0.05 1.44 0.00 -0.27 -2.24 121.76 116.85 1lx6 s ALA 140 Ca 0.62 0.93 0.03 0.00 0.00 0.00 0.00 51.96 53.54 1lx6 s ALA 140 Cb -0.16 -0.55 -0.03 0.00 0.00 0.00 0.00 23.12 22.38 1lx6 s ALA 140 CO 0.56 -0.16 -0.12 -0.51 0.00 0.00 0.00 175.76 175.53 1lx6 s LEU 141 N 0.36 2.90 -0.01 0.00 1.43 -0.36 -3.45 118.68 119.55 1lx6 s LEU 141 Ca -0.02 -0.14 0.03 0.00 -1.03 0.00 0.00 54.13 52.98 1lx6 s LEU 141 Cb -0.03 -1.61 -0.00 0.00 0.03 0.00 0.00 46.19 44.57 1lx6 s LEU 141 CO -0.01 0.35 -0.09 -0.22 0.23 0.00 0.00 176.35 176.60 1lx6 s LEU 142 N -0.79 1.94 0.18 1.79 2.96 -1.08 -1.85 118.68 121.82 1lx6 s LEU 142 Ca 0.12 -0.18 0.02 0.00 -0.22 0.00 0.00 54.13 53.88 1lx6 s LEU 142 Cb -0.11 -0.51 -0.05 0.00 0.50 0.00 0.00 46.19 46.03 1lx6 s LEU 142 CO 0.01 0.10 -0.01 0.28 -1.32 0.00 0.00 176.35 175.41 1lx6 s THR 143 N -0.08 0.79 -0.12 3.68 -1.32 -1.00 0.71 115.64 118.30 1lx6 s THR 143 Ca 0.01 -2.00 0.00 0.00 -1.21 0.00 0.00 61.69 58.50 1lx6 s THR 143 Cb -0.05 -2.15 -0.02 0.00 -1.51 0.00 0.00 72.50 68.77 1lx6 s THR 143 CO -0.00 -0.46 -0.12 -0.76 -2.21 0.00 0.00 174.62 171.06 1lx6 s LEU 144 N -3.20 2.78 0.00 9.08 1.02 -1.20 -1.12 118.68 126.05 1lx6 s LEU 144 Ca 0.24 -0.28 0.00 0.00 0.02 0.00 0.00 54.13 54.12 1lx6 s LEU 144 Cb 0.06 -1.62 0.00 0.00 0.02 0.00 0.00 46.19 44.65 1lx6 s LEU 144 CO 0.05 0.20 0.01 -0.24 0.02 0.00 0.00 176.35 176.39 1lx6 n SER 145 N 3.28 2.85 -3.77 2.29 2.88 0.07 -4.90 113.62 116.34 1lx6 n SER 145 Ca -0.18 -2.40 -0.13 0.00 -1.33 0.00 0.00 58.87 54.83 1lx6 n SER 145 Cb 0.53 0.21 -0.09 0.00 -0.75 0.00 0.00 64.21 64.11 1lx6 n SER 145 CO 0.00 0.00 0.00 -0.47 -1.23 0.00 0.00 175.04 173.34 1lx6 s TYR 146 N -2.14 -0.20 0.65 0.66 5.04 -1.26 -2.68 117.35 117.41 1lx6 s TYR 146 Ca 0.01 0.37 0.15 0.00 -2.44 0.00 0.00 57.07 55.16 1lx6 s TYR 146 Cb -0.00 0.09 0.72 0.00 0.35 0.00 0.00 41.96 43.12 1lx6 s TYR 146 CO 0.01 -0.34 1.38 1.25 -1.34 0.00 0.00 175.55 176.51 1lx6 h LEU 147 N 4.28 0.00 -2.09 6.97 5.85 -1.92 0.32 115.31 128.72 1lx6 h LEU 147 Ca -0.29 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.43 1lx6 h LEU 147 Cb 1.18 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.21 1lx6 h LEU 147 CO 0.38 0.00 0.00 1.23 -0.34 0.00 0.00 178.44 179.71 1lx6 h GLY 148 N 0.00 0.00 1.27 3.75 0.00 -1.93 -1.23 103.07 104.93 1lx6 h GLY 148 Ca 0.08 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.27 1lx6 h GLY 148 CO -0.00 0.00 -0.34 0.00 0.00 0.00 0.00 176.54 176.20 1lx6 h ALA 149 N 2.00 0.72 0.01 3.60 0.00 -1.06 -3.36 119.26 121.16 1lx6 h ALA 149 Ca 0.00 -0.43 -0.34 0.00 0.00 0.00 0.00 54.91 54.15 1lx6 h ALA 149 Cb 0.01 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 17.62 1lx6 h ALA 149 CO 0.00 0.66 -2.07 0.39 0.00 0.00 0.00 179.25 178.23 1lx6 n GLU 150 N -4.06 0.67 -4.47 0.00 1.02 -0.65 -4.58 120.64 108.56 1lx6 n GLU 150 Ca -0.01 0.15 -0.24 0.00 -0.02 0.00 0.00 57.16 57.04 1lx6 n GLU 150 Cb 0.51 -1.65 -0.10 0.00 -0.02 0.00 0.00 31.44 30.18 1lx6 n GLU 150 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1lx6 s ARG 151 N -2.54 1.67 -0.44 3.49 1.81 -0.56 -5.08 118.95 117.29 1lx6 s ARG 151 Ca -0.09 -1.79 -0.22 0.00 -1.72 0.00 0.00 55.73 51.91 1lx6 s ARG 151 Cb 0.07 -1.67 0.02 0.00 -0.45 0.00 0.00 34.95 32.93 1lx6 s ARG 151 CO 0.81 0.26 0.71 0.00 -0.68 0.00 0.00 175.30 176.41 1lx6 s ALA 152 N -2.60 3.32 -0.14 2.13 0.00 -1.26 -4.49 121.76 118.72 1lx6 s ALA 152 Ca 0.30 -1.11 -0.03 0.00 0.00 0.00 0.00 51.96 51.12 1lx6 s ALA 152 Cb -0.03 -3.39 -0.03 0.00 0.00 0.00 0.00 23.12 19.68 1lx6 s ALA 152 CO 0.14 -1.86 -0.02 0.42 0.00 0.00 0.00 175.76 174.45 1lx6 s ILE 153 N 3.06 4.08 0.36 0.00 1.01 -1.26 -5.09 121.20 123.36 1lx6 s ILE 153 Ca 0.26 -0.30 -0.28 0.00 0.00 0.00 0.00 60.65 60.33 1lx6 s ILE 153 Cb -0.13 -2.77 -0.12 0.00 0.01 0.00 0.00 42.46 39.45 1lx6 s ILE 153 CO 0.21 0.52 1.31 -2.65 0.00 0.00 0.00 174.94 174.33 1lx6 n PRO 154 N 3.14 2.16 0.00 2.79 -0.02 -1.26 -2.93 135.00 138.88 1lx6 n PRO 154 Ca -0.18 0.76 0.00 0.00 -2.02 0.00 0.00 63.50 62.06 1lx6 n PRO 154 Cb 0.53 -2.37 0.00 0.00 -0.02 0.00 0.00 33.50 31.64 1lx6 n PRO 154 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1lx6 n ASN 155 N 0.65 0.00 0.25 2.55 3.02 -1.26 -4.71 115.26 115.76 1lx6 n ASN 155 Ca 0.05 0.00 0.12 0.00 -0.03 0.00 0.00 54.58 54.72 1lx6 n ASN 155 Cb 0.37 -0.17 0.64 0.00 -0.61 0.00 0.00 39.78 40.00 1lx6 n ASN 155 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 1lx6 h TYR 156 N 0.00 0.00 0.00 3.10 3.20 -1.77 -3.35 116.97 118.15 1lx6 h TYR 156 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1lx6 h TYR 156 Cb 0.00 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.27 1lx6 h TYR 156 CO 0.00 0.15 0.00 0.09 -1.64 0.00 0.00 178.16 176.76 1lx6 n ASN 157 N -3.52 0.00 0.13 -2.11 3.02 -1.26 -0.91 115.26 110.61 1lx6 n ASN 157 Ca -0.01 0.00 0.08 0.00 -0.03 0.00 0.00 54.58 54.62 1lx6 n ASN 157 Cb 0.31 0.00 0.43 0.00 -0.61 0.00 0.00 39.78 39.91 1lx6 n ASN 157 CO 0.00 0.00 0.00 0.55 -2.62 0.00 0.00 177.26 175.19 1lx6 n VAL 158 N 0.00 1.20 0.22 2.41 3.14 -1.26 -0.08 118.33 123.96 1lx6 n VAL 158 Ca 0.00 0.68 0.10 0.00 -2.96 0.00 0.00 64.34 62.17 1lx6 n VAL 158 Cb 0.00 -1.68 0.43 0.00 -1.06 0.00 0.00 33.84 31.53 1lx6 n VAL 158 CO 0.00 0.00 0.00 -0.03 -6.46 0.00 0.00 176.83 170.34 1lx6 h MET 159 N 0.00 0.00 -0.18 1.45 -1.53 -1.40 -2.50 114.93 110.78 1lx6 h MET 159 Ca 0.00 0.00 -0.14 0.00 -3.44 0.00 0.00 59.70 56.12 1lx6 h MET 159 Cb 0.07 0.00 -0.01 0.00 -0.55 0.00 0.00 31.60 31.11 1lx6 h MET 159 CO 0.00 0.20 -0.48 0.78 0.14 0.00 0.00 176.91 177.55 1lx6 h GLY 160 N 2.32 0.51 1.20 1.39 0.00 -0.50 -2.49 103.07 105.49 1lx6 h GLY 160 Ca -0.00 -0.55 -0.24 0.00 0.00 0.00 0.00 47.33 46.54 1lx6 h GLY 160 CO 0.03 0.49 -0.87 1.41 0.00 0.00 0.00 176.54 177.60 1lx6 h LEU 161 N 0.37 0.94 -1.15 3.11 4.07 -1.58 -2.67 115.31 118.41 1lx6 h LEU 161 Ca 0.02 -0.66 0.00 0.00 0.08 0.00 0.00 57.88 57.32 1lx6 h LEU 161 Cb 0.98 -0.28 -0.04 0.00 1.08 0.00 0.00 40.66 42.40 1lx6 h LEU 161 CO 0.09 1.46 0.52 0.00 -1.08 0.00 0.00 178.44 179.43 1lx6 h ALA 162 N 0.51 1.37 0.00 1.53 0.00 -1.41 -0.62 119.26 120.64 1lx6 h ALA 162 Ca -0.08 -0.07 -0.13 0.00 0.00 0.00 0.00 54.91 54.63 1lx6 h ALA 162 Cb 1.50 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.94 1lx6 h ALA 162 CO 0.18 0.56 -0.63 0.87 0.00 0.00 0.00 179.25 180.23 1lx6 h LYS 163 N 1.12 0.00 -0.24 0.00 1.79 -1.43 0.13 116.57 117.94 1lx6 h LYS 163 Ca 0.30 0.00 -0.08 0.00 -2.18 0.00 0.00 60.65 58.69 1lx6 h LYS 163 Cb -0.09 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.56 1lx6 h LYS 163 CO -0.06 0.63 -0.17 0.00 -1.08 0.00 0.00 179.45 178.77 1lx6 h ALA 164 N 1.37 0.34 0.20 3.86 0.00 -1.05 -0.92 119.26 123.07 1lx6 h ALA 164 Ca -0.01 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.57 1lx6 h ALA 164 Cb 1.12 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 1lx6 h ALA 164 CO 0.08 0.25 -0.16 1.03 0.00 0.00 0.00 179.25 180.45 1lx6 h SER 165 N 0.25 -0.42 -0.81 0.00 0.87 -0.92 -2.36 113.55 110.16 1lx6 h SER 165 Ca 0.05 0.03 0.06 0.00 -1.23 0.00 0.00 61.79 60.71 1lx6 h SER 165 Cb 0.69 0.14 -0.05 0.00 -0.44 0.00 0.00 62.40 62.74 1lx6 h SER 165 CO 0.05 -0.25 0.53 0.25 -0.53 0.00 0.00 176.83 176.87 1lx6 h LEU 166 N -0.37 0.77 -1.13 2.23 5.85 -0.65 0.38 115.31 122.39 1lx6 h LEU 166 Ca -0.01 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.63 1lx6 h LEU 166 Cb 0.34 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.19 1lx6 h LEU 166 CO -0.01 0.50 -0.41 -0.33 -0.34 0.00 0.00 178.44 177.84 1lx6 h GLU 167 N 0.88 0.00 0.02 1.25 5.08 -0.86 -0.82 114.58 120.13 1lx6 h GLU 167 Ca 0.35 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.47 1lx6 h GLU 167 Cb 0.23 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.49 1lx6 h GLU 167 CO -0.12 0.41 -1.00 0.00 -1.00 0.00 0.00 179.01 177.30 1lx6 h ALA 168 N 1.59 0.28 -0.21 3.43 0.00 -0.79 -3.11 119.26 120.45 1lx6 h ALA 168 Ca -0.00 -0.72 0.03 0.00 0.00 0.00 0.00 54.91 54.22 1lx6 h ALA 168 Cb 0.79 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 1lx6 h ALA 168 CO 0.05 0.79 0.01 -0.97 0.00 0.00 0.00 179.25 179.14 1lx6 h ASN 169 N 0.25 -0.06 -0.26 0.00 -0.00 -0.34 -1.18 115.58 114.00 1lx6 h ASN 169 Ca -0.10 0.04 0.08 0.00 -0.00 0.00 0.00 56.30 56.32 1lx6 h ASN 169 Cb 1.65 0.07 -0.01 0.00 -0.00 0.00 0.00 38.32 40.03 1lx6 h ASN 169 CO 0.18 -0.00 0.21 0.58 -0.00 0.00 0.00 177.43 178.40 1lx6 h VAL 170 N 0.08 0.71 0.13 2.57 2.07 -1.14 0.13 116.25 120.80 1lx6 h VAL 170 Ca 0.10 0.00 -0.32 0.00 0.82 0.00 0.00 66.70 67.30 1lx6 h VAL 170 Cb 0.12 0.85 -0.00 0.00 -1.52 0.00 0.00 31.29 30.73 1lx6 h VAL 170 CO -0.16 0.00 -1.58 0.03 0.02 0.00 0.00 177.57 175.88 1lx6 h ARG 171 N 0.00 0.29 -0.06 1.57 3.08 -1.22 -3.00 114.38 115.03 1lx6 h ARG 171 Ca 0.12 -0.49 -0.19 0.00 0.07 0.00 0.00 59.98 59.50 1lx6 h ARG 171 Cb 0.54 0.18 -0.00 0.00 0.08 0.00 0.00 29.97 30.77 1lx6 h ARG 171 CO -0.00 1.16 -0.76 1.88 -1.07 0.00 0.00 179.97 181.18 1lx6 h TYR 172 N 0.08 0.54 -0.37 3.04 0.05 -0.77 -2.53 116.97 117.01 1lx6 h TYR 172 Ca -0.27 -0.25 -0.11 0.00 0.05 0.00 0.00 58.73 58.16 1lx6 h TYR 172 Cb 2.04 -0.08 -0.01 0.00 1.01 0.00 0.00 36.73 39.69 1lx6 h TYR 172 CO 0.07 1.01 -0.19 0.52 -1.05 0.00 0.00 178.16 178.52 1lx6 h MET 173 N 0.26 0.78 -0.29 4.88 2.86 -0.90 -2.13 114.93 120.40 1lx6 h MET 173 Ca -0.04 -0.35 -0.05 0.00 -2.06 0.00 0.00 59.70 57.21 1lx6 h MET 173 Cb 1.34 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.97 1lx6 h MET 173 CO 0.13 0.97 -0.02 0.00 1.06 0.00 0.00 176.91 179.05 1lx6 h ALA 174 N 0.79 1.44 0.03 6.32 0.00 -1.53 0.37 119.26 126.67 1lx6 h ALA 174 Ca 0.08 -0.19 -0.21 0.00 0.00 0.00 0.00 54.91 54.59 1lx6 h ALA 174 Cb 0.74 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1lx6 h ALA 174 CO 0.06 0.40 -0.98 -0.97 0.00 0.00 0.00 179.25 177.76 1lx6 h ASN 175 N 0.43 0.19 0.01 0.00 -0.00 -1.40 -1.66 115.58 113.14 1lx6 h ASN 175 Ca 0.09 -0.18 -0.03 0.00 -0.00 0.00 0.00 56.30 56.19 1lx6 h ASN 175 Cb 0.31 -0.06 -0.00 0.00 -0.00 0.00 0.00 38.32 38.57 1lx6 h ASN 175 CO 0.01 1.05 -0.15 0.00 -0.00 0.00 0.00 177.43 178.34 1lx6 h ALA 176 N 0.93 0.02 0.00 1.57 0.00 -0.88 -3.37 119.26 117.52 1lx6 h ALA 176 Ca -0.05 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.29 1lx6 h ALA 176 Cb 1.66 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.53 1lx6 h ALA 176 CO 0.14 0.08 -0.23 0.52 0.00 0.00 0.00 179.25 179.77 1lx6 h MET 177 N -0.97 0.00 -0.43 0.00 2.86 -0.43 -3.38 114.93 112.58 1lx6 h MET 177 Ca -0.04 0.00 0.09 0.00 -2.06 0.00 0.00 59.70 57.69 1lx6 h MET 177 Cb 1.06 0.00 -0.09 0.00 0.06 0.00 0.00 31.60 32.63 1lx6 h MET 177 CO -0.01 0.00 -0.21 0.78 1.06 0.00 0.00 176.91 178.53 1lx6 h GLY 178 N 4.28 0.10 0.92 8.32 0.00 -1.21 -1.99 103.07 113.48 1lx6 h GLY 178 Ca 0.00 0.27 0.11 0.00 0.00 0.00 0.00 47.33 47.70 1lx6 h GLY 178 CO 0.00 -0.20 0.44 -2.55 0.00 0.00 0.00 176.54 174.22 1lx6 h PRO 179 N -0.12 0.00 -0.69 4.80 0.11 -1.82 -0.44 132.00 133.84 1lx6 h PRO 179 Ca 0.21 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 66.18 1lx6 h PRO 179 Cb 0.44 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 31.47 1lx6 h PRO 179 CO -0.51 0.00 0.17 -0.85 -0.21 0.00 0.00 178.00 176.60 1lx6 n GLU 180 N -3.62 4.23 -2.74 1.05 0.28 -0.76 -4.91 120.64 114.18 1lx6 n GLU 180 Ca 0.06 -3.13 -0.06 0.00 -0.16 0.00 0.00 57.16 53.87 1lx6 n GLU 180 Cb 0.60 -2.25 0.02 0.00 1.43 0.00 0.00 31.44 31.24 1lx6 n GLU 180 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1lx6 n GLY 181 N 0.16 0.48 2.99 -1.84 0.00 -0.18 -4.67 105.19 102.13 1lx6 n GLY 181 Ca 0.36 -0.40 -0.22 0.00 0.00 0.00 0.00 46.02 45.76 1lx6 n GLY 181 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1lx6 s VAL 182 N -3.09 0.90 0.14 1.61 1.01 -1.15 -0.66 120.40 119.16 1lx6 s VAL 182 Ca 0.14 -0.37 0.06 0.00 0.00 0.00 0.00 61.98 61.81 1lx6 s VAL 182 Cb -0.06 -0.83 -0.04 0.00 0.00 0.00 0.00 36.38 35.45 1lx6 s VAL 182 CO 0.20 0.29 0.02 -0.13 0.00 0.00 0.00 175.10 175.48 1lx6 s ARG 183 N 0.57 2.51 -0.12 2.72 0.52 -0.95 -3.05 118.95 121.14 1lx6 s ARG 183 Ca -0.10 -0.99 -0.06 0.00 -0.52 0.00 0.00 55.73 54.06 1lx6 s ARG 183 Cb -0.13 -2.45 0.05 0.00 0.52 0.00 0.00 34.95 32.94 1lx6 s ARG 183 CO 0.02 0.49 0.28 0.08 0.02 0.00 0.00 175.30 176.18 1lx6 s VAL 184 N -1.58 -0.12 0.35 3.52 1.01 -1.26 -1.22 120.40 121.10 1lx6 s VAL 184 Ca 0.27 0.17 0.02 0.00 0.00 0.00 0.00 61.98 62.44 1lx6 s VAL 184 Cb -0.10 -0.43 -0.01 0.00 0.00 0.00 0.00 36.38 35.84 1lx6 s VAL 184 CO 0.19 0.07 0.41 0.20 0.00 0.00 0.00 175.10 175.97 1lx6 s ASN 185 N 1.52 1.34 0.10 3.32 0.01 -0.77 0.97 114.94 121.43 1lx6 s ASN 185 Ca -0.07 -1.64 0.01 0.00 -0.71 0.00 0.00 52.86 50.44 1lx6 s ASN 185 Cb -0.10 0.64 -0.04 0.00 0.41 0.00 0.00 41.25 42.15 1lx6 s ASN 185 CO -0.09 -1.23 -0.03 0.00 -1.51 0.00 0.00 177.10 174.23 1lx6 s ALA 186 N -3.10 0.87 -0.17 0.60 0.00 -0.46 -2.38 121.76 117.12 1lx6 s ALA 186 Ca 0.35 -1.35 0.00 0.00 0.00 0.00 0.00 51.96 50.96 1lx6 s ALA 186 Cb 0.00 0.33 0.03 0.00 0.00 0.00 0.00 23.12 23.49 1lx6 s ALA 186 CO 0.25 -0.32 -0.12 0.42 0.00 0.00 0.00 175.76 175.99 1lx6 s ILE 187 N -3.77 1.56 -0.55 0.00 1.01 -0.27 -1.14 121.20 118.03 1lx6 s ILE 187 Ca 0.13 -0.80 -0.23 0.00 0.00 0.00 0.00 60.65 59.76 1lx6 s ILE 187 Cb 0.06 -1.56 0.05 0.00 0.01 0.00 0.00 42.46 41.02 1lx6 s ILE 187 CO -0.04 0.30 0.87 -0.55 0.00 0.00 0.00 174.94 175.51 1lx6 s SER 188 N 1.46 6.29 0.16 3.58 0.15 0.16 -0.75 113.70 124.77 1lx6 s SER 188 Ca 0.02 -0.55 -0.15 0.00 0.70 0.00 0.00 55.95 55.97 1lx6 s SER 188 Cb -0.15 -2.40 -0.07 0.00 -1.71 0.00 0.00 66.02 61.69 1lx6 s SER 188 CO -0.09 -1.17 0.58 0.00 1.20 0.00 0.00 173.24 173.75 1lx6 s ALA 189 N 3.65 3.55 0.88 5.45 0.00 -1.09 -0.36 121.76 133.83 1lx6 s ALA 189 Ca 0.26 -0.10 -0.11 0.00 0.00 0.00 0.00 51.96 52.01 1lx6 s ALA 189 Cb -0.15 -2.56 0.12 0.00 0.00 0.00 0.00 23.12 20.53 1lx6 s ALA 189 CO 0.16 0.44 1.09 0.20 0.00 0.00 0.00 175.76 177.66 1lx6 s GLY 190 N -1.76 1.63 0.06 0.00 0.00 0.25 -4.61 107.32 102.89 1lx6 s GLY 190 Ca 0.39 0.03 -0.30 0.00 0.00 0.00 0.00 44.72 44.85 1lx6 s GLY 190 CO 0.19 0.50 1.95 -1.55 0.00 0.00 0.00 173.10 174.20 1lx6 n PRO 191 N -3.86 2.88 -2.62 2.90 -0.04 -1.26 -4.83 135.00 128.16 1lx6 n PRO 191 Ca 0.08 1.05 -0.30 0.00 -0.04 0.00 0.00 63.50 64.29 1lx6 n PRO 191 Cb 0.55 -3.00 -0.01 0.00 -0.04 0.00 0.00 33.50 31.00 1lx6 n PRO 191 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 1lx6 n ILE 192 N 5.39 3.29 0.00 0.52 5.41 -1.26 -4.57 119.36 128.14 1lx6 n ILE 192 Ca 0.20 -5.26 0.00 0.00 1.00 0.00 0.00 62.75 58.69 1lx6 n ILE 192 Cb 0.40 -1.35 0.00 0.00 -0.71 0.00 0.00 39.64 37.98 1lx6 n ILE 192 CO 0.00 0.00 0.00 0.80 0.00 0.00 0.00 176.55 177.35 1lx6 n MET 206 N -0.34 0.00 0.18 0.38 0.00 -1.26 -5.13 117.12 110.95 1lx6 n MET 206 Ca 0.39 0.00 0.12 0.00 -0.00 0.00 0.00 57.70 58.21 1lx6 n MET 206 Cb 0.45 -0.21 0.66 0.00 0.00 0.00 0.00 33.22 34.12 1lx6 n MET 206 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 175.97 175.90 1lx6 h LEU 207 N 0.00 0.00 -0.10 -0.89 4.07 -1.99 -0.50 115.31 115.90 1lx6 h LEU 207 Ca 0.00 0.00 -0.06 0.00 0.08 0.00 0.00 57.88 57.90 1lx6 h LEU 207 Cb 0.00 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 41.74 1lx6 h LEU 207 CO 0.00 0.00 -0.16 0.00 -1.08 0.00 0.00 178.44 177.20 1lx6 h ALA 208 N 1.92 0.15 -0.38 1.53 0.00 -2.01 -1.81 119.26 118.66 1lx6 h ALA 208 Ca 0.08 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 1lx6 h ALA 208 Cb 0.31 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1lx6 h ALA 208 CO -0.00 0.05 0.18 1.25 0.00 0.00 0.00 179.25 180.74 1lx6 h HIS 209 N -0.16 0.55 -0.15 0.00 -0.00 -1.78 -2.11 115.15 111.50 1lx6 h HIS 209 Ca 0.01 -0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.35 1lx6 h HIS 209 Cb 0.72 -0.17 -0.01 0.00 -0.00 0.00 0.00 27.41 27.96 1lx6 h HIS 209 CO 0.10 0.46 0.09 0.00 -0.00 0.00 0.00 177.93 178.58 1lx6 h GLU 211 N 0.18 0.38 0.21 0.00 4.81 -1.07 0.48 114.58 119.58 1lx6 h GLU 211 Ca 0.05 -0.02 -0.32 0.00 -0.13 0.00 0.00 59.36 58.94 1lx6 h GLU 211 Cb 0.00 -0.09 0.03 0.00 0.63 0.00 0.00 28.75 29.32 1lx6 h GLU 211 CO -0.01 0.25 -1.41 0.00 -0.73 0.00 0.00 179.01 177.12 1lx6 h ALA 212 N 1.70 -0.06 -0.00 2.92 0.00 -0.99 -3.24 119.26 119.58 1lx6 h ALA 212 Ca 0.54 -0.88 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1lx6 h ALA 212 Cb 1.01 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1lx6 h ALA 212 CO -0.52 0.81 -0.46 1.33 0.00 0.00 0.00 179.25 180.40 1lx6 n VAL 213 N -3.65 0.00 -2.72 0.00 0.24 0.06 -4.88 118.33 107.38 1lx6 n VAL 213 Ca -0.14 -0.01 -0.41 0.00 -2.04 0.00 0.00 64.34 61.73 1lx6 n VAL 213 Cb 1.08 0.24 -0.04 0.00 -1.47 0.00 0.00 33.84 33.65 1lx6 n VAL 213 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1lx6 s THR 214 N -2.95 4.56 0.24 3.34 2.01 0.16 -4.84 115.64 118.17 1lx6 s THR 214 Ca 0.13 2.06 -0.07 0.00 0.31 0.00 0.00 61.69 64.11 1lx6 s THR 214 Cb 0.18 -4.32 0.24 0.00 0.01 0.00 0.00 72.50 68.61 1lx6 s THR 214 CO 0.68 0.28 1.66 -0.65 -0.69 0.00 0.00 174.62 175.90 1lx6 h PRO 215 N 5.84 0.16 0.00 4.92 0.11 -1.84 0.94 132.00 142.13 1lx6 h PRO 215 Ca -0.42 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1lx6 h PRO 215 Cb 1.21 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1lx6 h PRO 215 CO 0.73 0.11 0.00 0.44 -0.21 0.00 0.00 178.00 179.06 1lx6 n ILE 216 N -5.25 0.58 -3.07 4.15 -5.35 -1.21 -4.86 119.36 104.35 1lx6 n ILE 216 Ca 0.13 0.14 -0.23 0.00 -0.27 0.00 0.00 62.75 62.52 1lx6 n ILE 216 Cb 0.44 -0.87 0.04 0.00 -1.74 0.00 0.00 39.64 37.51 1lx6 n ILE 216 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1lx6 n ARG 217 N -1.32 -5.03 -3.56 6.28 5.12 0.33 -4.98 116.66 113.49 1lx6 n ARG 217 Ca 0.07 0.89 -0.11 0.00 -1.93 0.00 0.00 57.85 56.78 1lx6 n ARG 217 Cb 0.14 -5.77 -0.05 0.00 -1.16 0.00 0.00 32.46 25.63 1lx6 n ARG 217 CO 0.00 0.00 0.00 -0.98 -1.93 0.00 0.00 177.63 174.72 1lx6 s ARG 218 N -5.75 0.65 0.54 5.56 1.70 -1.22 -4.80 118.95 115.63 1lx6 s ARG 218 Ca 0.32 0.10 -0.16 0.00 -0.47 0.00 0.00 55.73 55.52 1lx6 s ARG 218 Cb -0.14 0.31 -0.07 0.00 -0.57 0.00 0.00 34.95 34.48 1lx6 s ARG 218 CO 0.40 -0.22 1.01 0.95 -1.08 0.00 0.00 175.30 176.36 1lx6 s THR 219 N -1.37 4.29 0.84 4.99 -4.23 -1.26 -4.83 115.64 114.07 1lx6 s THR 219 Ca -0.02 1.11 -0.12 0.00 -1.18 0.00 0.00 61.69 61.49 1lx6 s THR 219 Cb -0.00 -3.61 0.10 0.00 1.34 0.00 0.00 72.50 70.33 1lx6 s THR 219 CO 0.01 -0.61 1.12 0.68 -0.54 0.00 0.00 174.62 175.27 1lx6 s VAL 220 N -2.55 2.59 0.36 2.29 -7.23 -1.26 -5.06 120.40 109.54 1lx6 s VAL 220 Ca 0.61 0.19 0.09 0.00 -1.81 0.00 0.00 61.98 61.05 1lx6 s VAL 220 Cb -0.12 -2.95 -0.07 0.00 0.56 0.00 0.00 36.38 33.80 1lx6 s VAL 220 CO 0.32 -0.25 -0.06 0.42 -0.31 0.00 0.00 175.10 175.22 1lx6 s THR 221 N -3.23 2.15 -0.09 5.32 -4.23 -1.26 -4.72 115.64 109.58 1lx6 s THR 221 Ca 0.62 -2.14 0.28 0.00 -1.18 0.00 0.00 61.69 59.27 1lx6 s THR 221 Cb -0.14 -2.76 0.29 0.00 1.34 0.00 0.00 72.50 71.23 1lx6 s THR 221 CO 0.54 -0.14 1.84 0.16 -0.54 0.00 0.00 174.62 176.48 1lx6 h ILE 222 N 1.95 0.00 -0.05 2.99 3.07 -1.94 -0.37 117.51 123.16 1lx6 h ILE 222 Ca -0.43 -0.14 -0.25 0.00 1.55 0.00 0.00 64.86 65.60 1lx6 h ILE 222 Cb 1.25 0.85 0.02 0.00 -0.27 0.00 0.00 36.82 38.66 1lx6 h ILE 222 CO 0.74 0.00 -0.96 -0.33 -1.05 0.00 0.00 178.15 176.55 1lx6 h GLU 223 N 0.00 0.72 -0.11 0.16 3.07 -1.94 0.56 114.58 117.03 1lx6 h GLU 223 Ca 0.00 -0.71 -0.04 0.00 -0.50 0.00 0.00 59.36 58.11 1lx6 h GLU 223 Cb 0.18 0.19 -0.00 0.00 -0.84 0.00 0.00 28.75 28.27 1lx6 h GLU 223 CO 0.00 1.29 -0.08 -0.44 -1.40 0.00 0.00 179.01 178.38 1lx6 h ASP 224 N 0.43 0.26 -0.28 1.42 3.32 -1.49 -2.30 116.42 117.78 1lx6 h ASP 224 Ca -0.10 -0.45 -0.07 0.00 0.02 0.00 0.00 57.03 56.43 1lx6 h ASP 224 Cb 1.60 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 41.06 1lx6 h ASP 224 CO 0.19 0.66 -0.03 0.58 -1.72 0.00 0.00 179.24 178.92 1lx6 h VAL 225 N -0.14 1.23 -0.17 -1.35 2.07 -1.31 -2.95 116.25 113.63 1lx6 h VAL 225 Ca 0.02 -0.95 0.01 0.00 0.82 0.00 0.00 66.70 66.60 1lx6 h VAL 225 Cb 0.58 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 31.30 1lx6 h VAL 225 CO 0.02 0.33 0.08 1.23 0.02 0.00 0.00 177.57 179.25 1lx6 h GLY 226 N 0.93 0.22 1.71 2.17 0.00 0.26 -0.89 103.07 107.47 1lx6 h GLY 226 Ca 0.12 -0.06 -0.06 0.00 0.00 0.00 0.00 47.33 47.32 1lx6 h GLY 226 CO 0.02 0.05 -0.15 3.43 0.00 0.00 0.00 176.54 179.89 1lx6 h ASN 227 N 0.18 0.34 -0.05 0.19 2.35 -1.29 -0.33 115.58 116.97 1lx6 h ASN 227 Ca 0.07 -0.08 -0.16 0.00 -0.55 0.00 0.00 56.30 55.58 1lx6 h ASN 227 Cb 0.01 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.29 1lx6 h ASN 227 CO -0.05 0.52 -0.51 0.28 -1.65 0.00 0.00 177.43 176.02 1lx6 h SER 228 N 0.33 0.68 -0.09 5.81 0.02 -1.33 -1.73 113.55 117.23 1lx6 h SER 228 Ca 0.06 -0.35 -0.01 0.00 -0.84 0.00 0.00 61.79 60.65 1lx6 h SER 228 Cb 0.46 -0.19 -0.00 0.00 0.14 0.00 0.00 62.40 62.81 1lx6 h SER 228 CO 0.03 1.07 -0.00 0.00 -1.14 0.00 0.00 176.83 176.79 1lx6 h ALA 229 N 0.95 0.12 -0.26 3.77 0.00 -0.73 -1.21 119.26 121.90 1lx6 h ALA 229 Ca 0.02 -0.18 0.06 0.00 0.00 0.00 0.00 54.91 54.80 1lx6 h ALA 229 Cb 1.06 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.76 1lx6 h ALA 229 CO 0.10 -0.19 -0.09 0.00 0.00 0.00 0.00 179.25 179.07 1lx6 h ALA 230 N 0.73 0.14 0.25 0.00 0.00 -1.04 -1.44 119.26 117.90 1lx6 h ALA 230 Ca 0.03 0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.04 1lx6 h ALA 230 Cb 0.35 0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 1lx6 h ALA 230 CO 0.00 -0.49 -0.32 0.35 0.00 0.00 0.00 179.25 178.79 1lx6 h PHE 231 N -0.04 -0.85 -0.30 0.00 3.57 -1.24 -2.08 116.94 115.99 1lx6 h PHE 231 Ca 0.13 0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.73 1lx6 h PHE 231 Cb 0.24 0.34 -0.01 0.00 2.79 0.00 0.00 35.95 39.31 1lx6 h PHE 231 CO -0.28 -0.44 0.22 -0.07 -2.23 0.00 0.00 178.31 175.50 1lx6 h LEU 232 N -0.62 0.02 -0.88 0.59 3.38 -0.92 -1.20 115.31 115.69 1lx6 h LEU 232 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1lx6 h LEU 232 Cb 0.59 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.34 1lx6 h LEU 232 CO -0.10 0.01 -0.08 0.00 0.09 0.00 0.00 178.44 178.36 1lx6 s SER 234 N -2.14 5.50 0.27 0.00 1.04 -0.45 -4.68 113.70 113.24 1lx6 s SER 234 Ca 0.34 -0.36 0.19 0.00 0.48 0.00 0.00 55.95 56.60 1lx6 s SER 234 Cb 0.20 -1.16 1.00 0.00 0.10 0.00 0.00 66.02 66.16 1lx6 s SER 234 CO 0.39 -0.27 1.58 0.47 0.98 0.00 0.00 173.24 176.39 1lx6 n ASP 235 N -1.37 0.50 -0.14 7.02 8.00 -1.26 -1.73 116.55 127.57 1lx6 n ASP 235 Ca -0.03 0.72 -0.00 0.00 0.71 0.00 0.00 54.79 56.18 1lx6 n ASP 235 Cb 0.59 -0.79 0.25 0.00 -0.02 0.00 0.00 41.12 41.15 1lx6 n ASP 235 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1lx6 h LEU 236 N 0.00 0.76 -2.53 0.64 3.38 -1.88 -2.01 115.31 113.66 1lx6 h LEU 236 Ca 0.00 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 1lx6 h LEU 236 Cb 0.04 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 1lx6 h LEU 236 CO 0.00 0.63 0.02 -1.54 0.09 0.00 0.00 178.44 177.64 1lx6 n SER 237 N -4.37 3.74 -0.48 -0.43 3.41 -0.70 -4.61 113.62 110.17 1lx6 n SER 237 Ca 0.06 -2.57 0.39 0.00 -0.26 0.00 0.00 58.87 56.50 1lx6 n SER 237 Cb 0.12 -0.61 0.70 0.00 -0.26 0.00 0.00 64.21 64.15 1lx6 n SER 237 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1lx6 h ALA 238 N 3.06 3.04 -0.19 7.33 0.00 -1.51 0.39 119.26 131.37 1lx6 h ALA 238 Ca 0.02 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1lx6 h ALA 238 Cb 1.41 0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.36 1lx6 h ALA 238 CO 0.31 -1.58 0.00 0.41 0.00 0.00 0.00 179.25 178.39 1lx6 n GLY 239 N -1.66 -0.05 3.17 0.00 0.00 -1.26 -4.80 105.19 100.60 1lx6 n GLY 239 Ca 0.36 -0.21 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 1lx6 n GLY 239 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1lx6 s ILE 240 N -1.73 2.42 -0.14 -0.61 1.01 0.14 -5.10 121.20 117.18 1lx6 s ILE 240 Ca 0.13 -0.82 -0.11 0.00 0.00 0.00 0.00 60.65 59.85 1lx6 s ILE 240 Cb 0.07 -2.04 0.04 0.00 0.01 0.00 0.00 42.46 40.53 1lx6 s ILE 240 CO 0.09 0.51 0.36 -0.55 0.00 0.00 0.00 174.94 175.34 1lx6 s SER 241 N 1.34 -0.39 0.00 3.58 0.15 -1.26 -4.70 113.70 112.42 1lx6 s SER 241 Ca 0.05 0.74 0.00 0.00 0.70 0.00 0.00 55.95 57.44 1lx6 s SER 241 Cb -0.13 0.72 0.00 0.00 -1.71 0.00 0.00 66.02 64.89 1lx6 s SER 241 CO -0.10 -0.14 0.00 0.61 1.20 0.00 0.00 173.24 174.81 1lx6 n GLY 242 N 3.21 0.49 3.86 9.45 0.00 0.27 -4.92 105.19 117.55 1lx6 n GLY 242 Ca -0.16 -0.26 -0.36 0.00 0.00 0.00 0.00 46.02 45.24 1lx6 n GLY 242 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1lx6 s GLU 243 N -0.49 3.38 -0.39 1.61 2.56 -1.26 -4.65 118.70 119.46 1lx6 s GLU 243 Ca 0.00 -0.19 -0.12 0.00 0.00 0.00 0.00 54.97 54.67 1lx6 s GLU 243 Cb 0.00 -3.13 0.04 0.00 2.00 0.00 0.00 34.13 33.04 1lx6 s GLU 243 CO 0.00 0.76 0.24 0.08 -0.56 0.00 0.00 175.26 175.78 1lx6 s VAL 244 N -1.05 4.66 -0.24 3.70 1.01 -1.26 -1.35 120.40 125.88 1lx6 s VAL 244 Ca 0.16 -0.93 -0.15 0.00 0.00 0.00 0.00 61.98 61.06 1lx6 s VAL 244 Cb -0.12 -3.66 -0.04 0.00 0.00 0.00 0.00 36.38 32.57 1lx6 s VAL 244 CO 0.05 -0.31 0.38 -0.69 0.00 0.00 0.00 175.10 174.54 1lx6 s VAL 245 N 1.56 5.19 -0.34 2.92 1.01 -0.29 -4.86 120.40 125.58 1lx6 s VAL 245 Ca 0.03 0.64 -0.26 0.00 0.00 0.00 0.00 61.98 62.38 1lx6 s VAL 245 Cb -0.20 -3.71 0.01 0.00 0.00 0.00 0.00 36.38 32.48 1lx6 s VAL 245 CO 0.06 0.20 0.93 -1.00 0.00 0.00 0.00 175.10 175.30 1lx6 s HIS 246 N 1.69 3.13 -0.80 5.22 3.76 -1.26 -0.66 115.29 126.36 1lx6 s HIS 246 Ca 0.17 0.89 0.02 0.00 -0.15 0.00 0.00 55.06 55.99 1lx6 s HIS 246 Cb -0.15 -3.55 0.24 0.00 1.11 0.00 0.00 32.58 30.22 1lx6 s HIS 246 CO 0.09 -0.75 0.85 0.28 -0.85 0.00 0.00 174.74 174.36 1lx6 n VAL 247 N 5.84 2.97 -0.88 -0.90 0.31 0.51 -4.72 118.33 121.45 1lx6 n VAL 247 Ca 0.08 -5.27 0.01 0.00 -0.01 0.00 0.00 64.34 59.15 1lx6 n VAL 247 Cb 0.48 -2.19 0.01 0.00 -0.91 0.00 0.00 33.84 31.23 1lx6 n VAL 247 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1lx6 n ASP 248 N 1.52 0.76 -0.55 4.52 3.85 -1.26 -0.59 116.55 124.80 1lx6 n ASP 248 Ca 0.25 -1.61 -0.07 0.00 -0.71 0.00 0.00 54.79 52.65 1lx6 n ASP 248 Cb 0.37 -0.07 -0.03 0.00 -1.35 0.00 0.00 41.12 40.05 1lx6 n ASP 248 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1lx6 n GLY 249 N -0.26 0.91 1.91 6.12 0.00 -1.26 -2.90 105.19 109.71 1lx6 n GLY 249 Ca 0.01 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.53 1lx6 n GLY 249 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1lx6 n GLY 250 N -1.77 0.94 0.34 -0.02 0.00 -1.26 -3.28 105.19 100.13 1lx6 n GLY 250 Ca -0.07 0.00 0.23 0.00 0.00 0.00 0.00 46.02 46.18 1lx6 n GLY 250 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1lx6 h PHE 251 N 0.00 0.95 0.00 1.61 3.57 -1.85 -0.38 116.94 120.84 1lx6 h PHE 251 Ca 0.00 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.54 1lx6 h PHE 251 Cb 0.00 -0.25 0.00 0.00 2.79 0.00 0.00 35.95 38.49 1lx6 h PHE 251 CO 0.00 -0.14 0.00 0.66 -2.23 0.00 0.00 178.31 176.60 1lx6 h SER 252 N 0.36 0.00 0.91 0.41 4.64 -1.93 -3.28 113.55 114.66 1lx6 h SER 252 Ca 0.72 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 62.04 1lx6 h SER 252 Cb 1.61 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.70 1lx6 h SER 252 CO -0.59 0.00 -0.39 2.30 -0.87 0.00 0.00 176.83 177.29 1lx6 n ILE 253 N -2.53 0.26 -3.98 0.95 -6.64 -0.15 -4.89 119.36 102.38 1lx6 n ILE 253 Ca 0.04 -0.17 -0.29 0.00 -1.77 0.00 0.00 62.75 60.57 1lx6 n ILE 253 Cb 0.43 -0.18 -0.05 0.00 -1.44 0.00 0.00 39.64 38.40 1lx6 n ILE 253 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1lx6 s ALA 254 N -3.09 3.84 0.01 -1.28 0.00 -1.23 -5.12 121.76 114.90 1lx6 s ALA 254 Ca 0.09 -0.98 0.01 0.00 0.00 0.00 0.00 51.96 51.09 1lx6 s ALA 254 Cb 0.15 -1.66 -0.01 0.00 0.00 0.00 0.00 23.12 21.60 1lx6 s ALA 254 CO 0.66 0.70 -0.05 0.00 0.00 0.00 0.00 175.76 177.07 1lx6 s ALA 255 N -1.57 0.36 -1.39 0.00 0.00 -1.26 -4.88 121.76 113.02 1lx6 s ALA 255 Ca 0.33 -0.36 -0.11 0.00 0.00 0.00 0.00 51.96 51.82 1lx6 s ALA 255 Cb -0.12 -0.02 0.08 0.00 0.00 0.00 0.00 23.12 23.06 1lx6 s ALA 255 CO 0.26 0.03 0.60 -1.33 0.00 0.00 0.00 175.76 175.32 1lx6 n MET 256 N 2.45 -3.74 0.00 0.00 2.81 -1.26 -5.26 117.12 112.13 1lx6 n MET 256 Ca -0.16 0.50 0.10 0.00 -1.81 0.00 0.00 57.70 56.33 1lx6 n MET 256 Cb 0.57 -5.25 0.59 0.00 -0.71 0.00 0.00 33.22 28.43 1lx6 n MET 256 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57