#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jxv n GLU 5 N 0.00 0.90 -4.13 0.00 2.13 -1.25 -4.71 120.64 113.57 1jxv n GLU 5 Ca 0.00 0.36 -0.15 0.00 0.66 0.00 0.00 57.16 58.03 1jxv n GLU 5 Cb 0.00 -2.34 -0.13 0.00 0.27 0.00 0.00 31.44 29.24 1jxv n GLU 5 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 1jxv s ARG 6 N -3.17 0.52 0.13 5.31 0.52 -1.26 -0.35 118.95 120.64 1jxv s ARG 6 Ca 0.79 -0.49 0.05 0.00 -0.52 0.00 0.00 55.73 55.55 1jxv s ARG 6 Cb -0.38 -0.40 -0.04 0.00 0.52 0.00 0.00 34.95 34.64 1jxv s ARG 6 CO 0.44 0.09 -0.11 -0.08 0.02 0.00 0.00 175.30 175.67 1jxv s THR 7 N -0.75 1.13 -0.24 0.02 -1.32 -0.08 -4.76 115.64 109.65 1jxv s THR 7 Ca -0.03 -1.87 -0.09 0.00 -1.21 0.00 0.00 61.69 58.49 1jxv s THR 7 Cb -0.06 -1.64 -0.04 0.00 -1.51 0.00 0.00 72.50 69.25 1jxv s THR 7 CO 0.00 -0.63 0.13 0.12 -2.21 0.00 0.00 174.62 172.03 1jxv s PHE 8 N -2.83 3.24 -0.11 9.09 5.36 -1.26 -1.84 117.98 129.63 1jxv s PHE 8 Ca 0.12 0.04 0.02 0.00 -0.96 0.00 0.00 56.93 56.15 1jxv s PHE 8 Cb -0.01 -2.25 0.01 0.00 -0.34 0.00 0.00 43.02 40.44 1jxv s PHE 8 CO 0.01 -0.05 -0.18 0.42 -1.46 0.00 0.00 175.22 173.96 1jxv s ILE 9 N 1.16 1.69 -0.15 3.12 1.09 -0.51 -1.54 121.20 126.07 1jxv s ILE 9 Ca 0.06 -0.77 -0.00 0.00 -1.10 0.00 0.00 60.65 58.84 1jxv s ILE 9 Cb -0.14 -1.52 -0.01 0.00 -1.06 0.00 0.00 42.46 39.74 1jxv s ILE 9 CO 0.05 0.48 -0.14 0.00 -0.10 0.00 0.00 174.94 175.23 1jxv s ALA 10 N 0.83 2.56 -0.29 9.38 0.00 -0.07 0.20 121.76 134.36 1jxv s ALA 10 Ca -0.09 -1.00 -0.25 0.00 0.00 0.00 0.00 51.96 50.63 1jxv s ALA 10 Cb -0.16 -1.25 0.00 0.00 0.00 0.00 0.00 23.12 21.72 1jxv s ALA 10 CO 0.00 0.05 0.85 0.42 0.00 0.00 0.00 175.76 177.08 1jxv s ILE 11 N 0.69 4.76 0.93 0.00 1.01 0.31 0.27 121.20 129.17 1jxv s ILE 11 Ca -0.07 1.41 -0.13 0.00 0.00 0.00 0.00 60.65 61.86 1jxv s ILE 11 Cb -0.15 -4.18 0.15 0.00 0.01 0.00 0.00 42.46 38.28 1jxv s ILE 11 CO 0.02 -0.23 1.15 -0.54 0.00 0.00 0.00 174.94 175.34 1jxv s LYS 12 N 3.03 1.00 0.32 2.79 1.02 -0.04 -2.04 119.74 125.83 1jxv s LYS 12 Ca 0.35 0.21 0.09 0.00 0.02 0.00 0.00 55.97 56.64 1jxv s LYS 12 Cb -0.14 -1.83 0.83 0.00 -0.52 0.00 0.00 37.83 36.17 1jxv s LYS 12 CO 0.11 -2.28 1.77 -1.35 -0.92 0.00 0.00 175.35 172.69 1jxv h PRO 13 N -1.55 0.65 0.00 -1.68 0.11 -1.85 -1.08 132.00 126.59 1jxv h PRO 13 Ca -0.50 -0.04 -0.10 0.00 0.11 0.00 0.00 66.00 65.48 1jxv h PRO 13 Cb 1.32 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 1jxv h PRO 13 CO 0.59 0.43 -0.47 0.38 -0.21 0.00 0.00 178.00 178.71 1jxv h ASP 14 N 0.67 0.00 0.14 -2.05 2.03 -1.89 -0.60 116.42 114.72 1jxv h ASP 14 Ca 0.59 0.00 -0.18 0.00 -0.73 0.00 0.00 57.03 56.71 1jxv h ASP 14 Cb 1.04 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 39.54 1jxv h ASP 14 CO -0.38 0.47 -0.67 1.23 -1.03 0.00 0.00 179.24 178.87 1jxv h GLY 15 N 1.93 0.54 0.57 7.15 0.00 -1.36 -1.65 103.07 110.25 1jxv h GLY 15 Ca -0.00 -0.71 -0.00 0.00 0.00 0.00 0.00 47.33 46.62 1jxv h GLY 15 CO 0.06 0.63 -0.00 -2.08 0.00 0.00 0.00 176.54 175.15 1jxv h VAL 16 N 0.35 1.34 -0.80 4.60 2.07 -1.18 -1.62 116.25 121.01 1jxv h VAL 16 Ca -0.02 -1.02 0.13 0.00 0.82 0.00 0.00 66.70 66.61 1jxv h VAL 16 Cb 1.24 2.02 -0.06 0.00 -1.52 0.00 0.00 31.29 32.97 1jxv h VAL 16 CO 0.12 0.26 0.53 1.56 0.02 0.00 0.00 177.57 180.06 1jxv h GLN 17 N -0.42 0.59 -0.42 1.57 1.08 -1.10 -0.97 115.11 115.44 1jxv h GLN 17 Ca 0.00 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.17 1jxv h GLN 17 Cb 0.43 -0.13 0.00 0.00 -0.05 0.00 0.00 27.48 27.73 1jxv h GLN 17 CO 0.00 0.39 0.00 0.54 -0.95 0.00 0.00 178.83 178.81 1jxv n ARG 18 N -4.51 2.14 -2.97 1.46 1.74 -0.62 -4.95 116.66 108.94 1jxv n ARG 18 Ca 0.15 -1.75 -0.11 0.00 -0.77 0.00 0.00 57.85 55.36 1jxv n ARG 18 Cb 0.44 -1.42 0.04 0.00 -1.02 0.00 0.00 32.46 30.50 1jxv n ARG 18 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1jxv n GLY 19 N 1.31 0.13 0.52 -0.13 0.00 -0.37 -4.94 105.19 101.70 1jxv n GLY 19 Ca 0.17 -0.19 0.05 0.00 0.00 0.00 0.00 46.02 46.05 1jxv n GLY 19 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1jxv n LEU 20 N -2.78 2.68 -0.01 0.99 4.77 -0.63 -4.68 117.00 117.34 1jxv n LEU 20 Ca -0.04 -1.90 -0.12 0.00 -0.03 0.00 0.00 56.01 53.91 1jxv n LEU 20 Cb 0.55 -0.18 -0.07 0.00 -2.33 0.00 0.00 43.42 41.39 1jxv n LEU 20 CO 0.33 0.66 0.77 0.58 -1.33 0.00 0.00 177.39 178.41 1jxv h VAL 21 N 1.71 1.20 -0.33 4.08 2.07 -1.89 -0.88 116.25 122.21 1jxv h VAL 21 Ca 0.00 -0.61 -0.14 0.00 0.82 0.00 0.00 66.70 66.77 1jxv h VAL 21 Cb 0.67 1.47 -0.01 0.00 -1.52 0.00 0.00 31.29 31.89 1jxv h VAL 21 CO 0.00 0.17 -0.35 1.23 0.02 0.00 0.00 177.57 178.64 1jxv h GLY 22 N -0.10 0.81 0.55 2.17 0.00 -1.97 -1.71 103.07 102.82 1jxv h GLY 22 Ca 0.02 -0.78 0.05 0.00 0.00 0.00 0.00 47.33 46.63 1jxv h GLY 22 CO 0.00 0.70 0.04 -2.09 0.00 0.00 0.00 176.54 175.19 1jxv h GLU 23 N 0.62 0.14 -0.23 4.80 4.57 -1.82 -1.06 114.58 121.60 1jxv h GLU 23 Ca 0.06 -0.01 -0.04 0.00 -1.18 0.00 0.00 59.36 58.20 1jxv h GLU 23 Cb 0.88 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.43 1jxv h GLU 23 CO 0.08 0.09 0.00 0.82 -1.18 0.00 0.00 179.01 178.82 1jxv h ILE 24 N 0.14 1.25 -0.54 2.32 2.04 -0.88 -2.87 117.51 118.97 1jxv h ILE 24 Ca 0.16 -0.88 -0.02 0.00 1.00 0.00 0.00 64.86 65.11 1jxv h ILE 24 Cb 0.19 1.38 -0.03 0.00 -0.74 0.00 0.00 36.82 37.62 1jxv h ILE 24 CO -0.23 0.27 0.25 0.40 0.00 0.00 0.00 178.15 178.84 1jxv h ILE 25 N 0.18 1.19 -0.55 -0.67 2.04 -1.25 -2.26 117.51 116.19 1jxv h ILE 25 Ca 0.07 -0.54 -0.02 0.00 1.00 0.00 0.00 64.86 65.37 1jxv h ILE 25 Cb 0.40 0.51 -0.03 0.00 -0.74 0.00 0.00 36.82 36.96 1jxv h ILE 25 CO 0.01 0.22 0.27 0.50 0.00 0.00 0.00 178.15 179.16 1jxv h LYS 26 N 0.77 0.76 -0.72 2.37 3.64 -1.03 -1.13 116.57 121.22 1jxv h LYS 26 Ca 0.19 -0.09 -0.06 0.00 -1.27 0.00 0.00 60.65 59.42 1jxv h LYS 26 Cb 0.10 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 31.74 1jxv h LYS 26 CO -0.02 0.58 0.21 0.00 -2.27 0.00 0.00 179.45 177.95 1jxv h ARG 27 N 0.76 1.12 -0.03 1.90 2.47 -1.19 -0.32 114.38 119.08 1jxv h ARG 27 Ca 0.19 -0.25 -0.21 0.00 -1.26 0.00 0.00 59.98 58.45 1jxv h ARG 27 Cb 0.06 -0.16 0.00 0.00 -1.65 0.00 0.00 29.97 28.22 1jxv h ARG 27 CO -0.03 0.96 -0.87 0.74 0.56 0.00 0.00 179.97 181.34 1jxv h PHE 28 N 1.06 0.62 -0.14 3.04 0.04 -1.37 -2.81 116.94 117.38 1jxv h PHE 28 Ca 0.23 -0.31 -0.02 0.00 2.80 0.00 0.00 57.97 60.66 1jxv h PHE 28 Cb 0.32 -0.08 -0.00 0.00 2.20 0.00 0.00 35.95 38.38 1jxv h PHE 28 CO 0.03 1.11 -0.01 0.93 -0.60 0.00 0.00 178.31 179.77 1jxv h GLU 29 N 0.26 0.25 0.00 1.51 5.08 -0.94 -2.53 114.58 118.22 1jxv h GLU 29 Ca -0.06 -0.09 -0.00 0.00 -1.00 0.00 0.00 59.36 58.21 1jxv h GLU 29 Cb 1.48 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.71 1jxv h GLU 29 CO 0.15 0.50 -0.02 -0.56 -1.00 0.00 0.00 179.01 178.09 1jxv h GLN 30 N -0.02 0.00 -0.14 2.33 3.07 -1.13 -1.99 115.11 117.22 1jxv h GLN 30 Ca 0.04 0.00 -0.16 0.00 0.09 0.00 0.00 58.65 58.62 1jxv h GLN 30 Cb 0.40 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.95 1jxv h GLN 30 CO 0.01 0.02 -0.58 -0.22 0.09 0.00 0.00 178.83 178.15 1jxv h LYS 31 N 0.00 0.45 0.00 0.06 1.63 -1.41 -3.47 116.57 113.82 1jxv h LYS 31 Ca -0.00 -0.29 0.00 0.00 -0.85 0.00 0.00 60.65 59.51 1jxv h LYS 31 Cb 0.54 0.04 0.00 0.00 -0.60 0.00 0.00 32.23 32.21 1jxv h LYS 31 CO 0.00 0.90 0.00 0.41 -3.45 0.00 0.00 179.45 177.31 1jxv n GLY 32 N 0.27 1.04 3.85 5.01 0.00 -0.75 -5.11 105.19 109.50 1jxv n GLY 32 Ca -0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.67 1jxv n GLY 32 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1jxv s PHE 33 N -1.92 3.49 -0.19 1.61 0.08 -0.96 -5.01 117.98 115.08 1jxv s PHE 33 Ca 0.00 1.37 -0.06 0.00 0.12 0.00 0.00 56.93 58.37 1jxv s PHE 33 Cb 0.00 -2.73 -0.03 0.00 -0.57 0.00 0.00 43.02 39.69 1jxv s PHE 33 CO 0.00 -0.39 0.02 0.50 -0.10 0.00 0.00 175.22 175.25 1jxv s ARG 34 N -4.24 3.76 -0.14 0.44 3.52 -0.56 -4.55 118.95 117.18 1jxv s ARG 34 Ca 0.57 -0.45 -0.29 0.00 -0.13 0.00 0.00 55.73 55.42 1jxv s ARG 34 Cb -0.10 -3.11 -0.02 0.00 -1.56 0.00 0.00 34.95 30.16 1jxv s ARG 34 CO 0.35 0.14 1.25 -1.17 -0.81 0.00 0.00 175.30 175.06 1jxv s LEU 35 N 0.68 4.20 -0.01 -0.88 2.96 -1.26 -0.90 118.68 123.47 1jxv s LEU 35 Ca 0.01 1.72 0.06 0.00 -0.22 0.00 0.00 54.13 55.69 1jxv s LEU 35 Cb -0.14 -3.54 -0.09 0.00 0.50 0.00 0.00 46.19 42.92 1jxv s LEU 35 CO 0.02 -0.72 0.16 0.55 -1.32 0.00 0.00 176.35 175.03 1jxv n VAL 36 N 5.21 0.00 -3.75 1.68 3.14 0.06 -4.90 118.33 119.77 1jxv n VAL 36 Ca 0.13 -0.18 -0.13 0.00 -2.96 0.00 0.00 64.34 61.21 1jxv n VAL 36 Cb 0.45 0.48 -0.11 0.00 -1.06 0.00 0.00 33.84 33.60 1jxv n VAL 36 CO 0.00 0.00 0.00 -0.83 -6.46 0.00 0.00 176.83 169.54 1jxv s GLY 37 N -2.49 -0.26 -0.19 7.55 0.00 -0.87 -0.41 107.32 110.65 1jxv s GLY 37 Ca -0.01 1.05 -0.15 0.00 0.00 0.00 0.00 44.72 45.60 1jxv s GLY 37 CO 0.25 0.98 0.48 -2.27 0.00 0.00 0.00 173.10 172.54 1jxv s LEU 38 N 0.43 0.02 -0.29 0.66 2.96 -1.26 -0.91 118.68 120.29 1jxv s LEU 38 Ca -0.02 0.99 -0.16 0.00 -0.22 0.00 0.00 54.13 54.72 1jxv s LEU 38 Cb -0.04 1.63 0.15 0.00 0.50 0.00 0.00 46.19 48.43 1jxv s LEU 38 CO -0.02 -0.18 0.97 -0.75 -1.32 0.00 0.00 176.35 175.05 1jxv s LYS 39 N 0.63 0.37 -0.20 1.98 2.20 -0.77 -5.01 119.74 118.93 1jxv s LYS 39 Ca -0.03 0.68 -0.02 0.00 -0.36 0.00 0.00 55.97 56.23 1jxv s LYS 39 Cb -0.05 0.15 -0.00 0.00 -1.51 0.00 0.00 37.83 36.42 1jxv s LYS 39 CO -0.04 -0.08 -0.09 0.12 -0.36 0.00 0.00 175.35 174.90 1jxv s PHE 40 N 1.55 2.90 0.17 4.03 5.36 -1.26 -0.26 117.98 130.47 1jxv s PHE 40 Ca -0.08 -1.10 -0.10 0.00 -0.96 0.00 0.00 56.93 54.68 1jxv s PHE 40 Cb -0.04 -2.04 -0.00 0.00 -0.34 0.00 0.00 43.02 40.60 1jxv s PHE 40 CO -0.15 -0.60 0.32 0.00 -1.46 0.00 0.00 175.22 173.34 1jxv s MET 41 N 1.36 1.20 -0.38 10.12 0.23 -0.49 -4.98 119.30 126.36 1jxv s MET 41 Ca 0.05 -1.13 -0.12 0.00 -1.03 0.00 0.00 55.69 53.46 1jxv s MET 41 Cb -0.14 0.40 0.02 0.00 -1.53 0.00 0.00 34.83 33.58 1jxv s MET 41 CO -0.05 -0.45 0.24 -1.14 -2.03 0.00 0.00 175.02 171.58 1jxv s GLN 42 N -3.95 2.98 0.16 3.16 0.74 -1.26 0.30 119.66 121.79 1jxv s GLN 42 Ca 0.16 -0.99 -0.31 0.00 0.05 0.00 0.00 55.36 54.27 1jxv s GLN 42 Cb 0.03 -3.81 -0.10 0.00 1.10 0.00 0.00 33.01 30.23 1jxv s GLN 42 CO -0.00 -0.67 1.51 0.00 -0.55 0.00 0.00 175.29 175.57 1jxv s ALA 43 N 1.62 3.71 0.52 1.58 0.00 -1.26 -4.99 121.76 122.94 1jxv s ALA 43 Ca 0.04 1.30 -0.19 0.00 0.00 0.00 0.00 51.96 53.11 1jxv s ALA 43 Cb -0.19 -3.59 -0.07 0.00 0.00 0.00 0.00 23.12 19.27 1jxv s ALA 43 CO 0.08 -0.73 1.07 -1.54 0.00 0.00 0.00 175.76 174.64 1jxv s SER 44 N 1.02 6.02 0.46 0.00 1.04 -1.26 -4.57 113.70 116.41 1jxv s SER 44 Ca 0.67 2.00 0.13 0.00 0.48 0.00 0.00 55.95 59.23 1jxv s SER 44 Cb -0.42 -2.56 1.07 0.00 0.10 0.00 0.00 66.02 64.21 1jxv s SER 44 CO 0.33 -1.01 2.06 -0.33 0.98 0.00 0.00 173.24 175.27 1jxv h GLU 45 N 1.24 0.30 0.34 4.02 5.08 -1.94 0.18 114.58 123.80 1jxv h GLU 45 Ca -0.49 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 57.83 1jxv h GLU 45 Cb 1.23 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.42 1jxv h GLU 45 CO 0.58 0.20 -0.16 -0.44 -1.00 0.00 0.00 179.01 178.18 1jxv h ASP 46 N 0.31 -0.39 -0.90 1.42 3.32 -1.99 0.31 116.42 118.51 1jxv h ASP 46 Ca 0.15 -0.09 0.10 0.00 0.02 0.00 0.00 57.03 57.20 1jxv h ASP 46 Cb 0.21 0.10 -0.08 0.00 0.22 0.00 0.00 39.33 39.78 1jxv h ASP 46 CO -0.03 -0.14 0.54 0.25 -1.72 0.00 0.00 179.24 178.14 1jxv h LEU 47 N -0.63 0.79 -0.72 1.55 5.85 -1.72 -1.69 115.31 118.74 1jxv h LEU 47 Ca -0.05 0.04 -0.13 0.00 0.84 0.00 0.00 57.88 58.59 1jxv h LEU 47 Cb 0.46 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 1jxv h LEU 47 CO 0.08 0.45 -0.41 -0.07 -0.34 0.00 0.00 178.44 178.15 1jxv h LEU 48 N 0.90 0.54 -0.79 2.25 3.38 -0.36 -0.85 115.31 120.38 1jxv h LEU 48 Ca 0.43 -0.24 -0.06 0.00 0.09 0.00 0.00 57.88 58.10 1jxv h LEU 48 Cb 0.37 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 1jxv h LEU 48 CO -0.24 0.88 0.22 0.11 0.09 0.00 0.00 178.44 179.51 1jxv h LYS 49 N 0.42 1.13 -0.36 1.13 1.57 0.43 0.16 116.57 121.05 1jxv h LYS 49 Ca 0.04 -0.24 -0.15 0.00 -1.87 0.00 0.00 60.65 58.43 1jxv h LYS 49 Cb 0.89 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 33.03 1jxv h LYS 49 CO 0.08 0.96 -0.36 0.93 -0.57 0.00 0.00 179.45 180.49 1jxv h GLU 50 N 1.08 0.83 -0.33 3.15 4.39 -1.01 -2.89 114.58 119.81 1jxv h GLU 50 Ca 0.23 -0.42 -0.02 0.00 0.34 0.00 0.00 59.36 59.50 1jxv h GLU 50 Cb 0.31 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.95 1jxv h GLU 50 CO -0.01 1.06 0.12 1.25 -1.16 0.00 0.00 179.01 180.27 1jxv h HIS 51 N 0.69 0.51 -1.57 4.33 2.76 -0.85 -3.15 115.15 117.88 1jxv h HIS 51 Ca 0.06 -0.04 -0.73 0.00 -2.20 0.00 0.00 60.37 57.46 1jxv h HIS 51 Cb 0.92 -0.15 -0.28 0.00 1.55 0.00 0.00 27.41 29.45 1jxv h HIS 51 CO 0.05 0.49 0.98 0.66 -1.30 0.00 0.00 177.93 178.81 1jxv n TYR 52 N -4.70 3.09 0.11 5.26 4.01 0.02 -4.70 117.16 120.26 1jxv n TYR 52 Ca -0.02 -2.63 -0.02 0.00 -0.16 0.00 0.00 57.90 55.08 1jxv n TYR 52 Cb 0.15 -1.30 0.04 0.00 -0.31 0.00 0.00 39.34 37.92 1jxv n TYR 52 CO 0.00 0.00 0.00 -0.24 -0.46 0.00 0.00 176.86 176.16 1jxv h VAL 53 N 1.58 1.36 0.00 -0.72 3.04 -1.47 -2.74 116.25 117.29 1jxv h VAL 53 Ca 0.59 -2.60 0.00 0.00 -1.01 0.00 0.00 66.70 63.67 1jxv h VAL 53 Cb 0.37 2.47 0.00 0.00 -2.01 0.00 0.00 31.29 32.11 1jxv h VAL 53 CO 1.50 0.70 0.00 0.47 -1.01 0.00 0.00 177.57 179.24 1jxv n ASP 54 N -3.45 0.00 -0.09 3.17 10.43 -1.26 -1.76 116.55 123.58 1jxv n ASP 54 Ca 0.00 0.16 0.07 0.00 2.57 0.00 0.00 54.79 57.59 1jxv n ASP 54 Cb 0.76 -0.33 0.10 0.00 1.84 0.00 0.00 41.12 43.49 1jxv n ASP 54 CO 0.00 0.00 0.00 0.18 -1.07 0.00 0.00 177.20 176.31 1jxv n LEU 55 N -1.33 2.32 0.01 0.64 4.77 -1.04 -4.78 117.00 117.58 1jxv n LEU 55 Ca 0.07 -2.74 0.10 0.00 -0.03 0.00 0.00 56.01 53.41 1jxv n LEU 55 Cb 0.14 -0.30 0.52 0.00 -2.33 0.00 0.00 43.42 41.45 1jxv n LEU 55 CO 0.12 0.65 1.16 0.50 -1.33 0.00 0.00 177.39 178.49 1jxv h LYS 56 N 0.11 0.32 -0.00 3.23 3.64 -1.32 -2.55 116.57 119.99 1jxv h LYS 56 Ca 0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1jxv h LYS 56 Cb 0.86 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.61 1jxv h LYS 56 CO 0.01 0.21 -0.70 -0.25 -2.27 0.00 0.00 179.45 176.45 1jxv n ASP 57 N -4.47 1.07 -4.75 4.20 10.43 -1.26 -4.93 116.55 116.84 1jxv n ASP 57 Ca 0.06 -1.04 -0.32 0.00 2.57 0.00 0.00 54.79 56.06 1jxv n ASP 57 Cb 0.26 0.86 0.08 0.00 1.84 0.00 0.00 41.12 44.16 1jxv n ASP 57 CO 0.00 0.00 0.00 -0.13 -1.07 0.00 0.00 177.20 176.00 1jxv s ARG 58 N -2.50 2.29 -0.01 -1.24 1.81 -0.96 -4.99 118.95 113.36 1jxv s ARG 58 Ca 0.09 1.40 -0.20 0.00 -1.72 0.00 0.00 55.73 55.30 1jxv s ARG 58 Cb 0.14 -1.89 -0.28 0.00 -0.45 0.00 0.00 34.95 32.46 1jxv s ARG 58 CO 0.65 -1.65 1.01 -1.00 -0.68 0.00 0.00 175.30 173.63 1jxv h PRO 59 N -0.63 0.41 0.00 3.54 0.13 -1.91 -3.25 132.00 130.28 1jxv h PRO 59 Ca -0.45 -0.56 0.00 0.00 -0.87 0.00 0.00 66.00 64.11 1jxv h PRO 59 Cb 1.25 0.19 0.00 0.00 0.13 0.00 0.00 31.00 32.57 1jxv h PRO 59 CO 0.51 1.23 0.00 1.97 -0.23 0.00 0.00 178.00 181.48 1jxv n PHE 60 N -4.08 0.69 -0.31 1.56 1.16 -1.26 -3.53 117.46 111.70 1jxv n PHE 60 Ca -0.13 0.32 0.03 0.00 -1.87 0.00 0.00 57.45 55.81 1jxv n PHE 60 Cb 0.81 -1.02 0.10 0.00 -1.61 0.00 0.00 39.48 37.77 1jxv n PHE 60 CO 0.00 0.00 0.00 0.35 -1.87 0.00 0.00 176.76 175.24 1jxv h PHE 61 N 0.00 -0.50 -0.40 2.97 3.57 -1.78 -0.49 116.94 120.31 1jxv h PHE 61 Ca 0.00 0.08 0.07 0.00 3.53 0.00 0.00 57.97 61.65 1jxv h PHE 61 Cb 0.13 0.36 -0.06 0.00 2.79 0.00 0.00 35.95 39.17 1jxv h PHE 61 CO 0.00 -0.37 0.02 0.00 -2.23 0.00 0.00 178.31 175.72 1jxv h ALA 62 N 1.81 0.38 -0.58 2.41 0.00 -1.83 -1.51 119.26 119.94 1jxv h ALA 62 Ca 0.41 0.11 -0.09 0.00 0.00 0.00 0.00 54.91 55.33 1jxv h ALA 62 Cb 0.63 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 1jxv h ALA 62 CO -0.89 -0.38 0.01 0.78 0.00 0.00 0.00 179.25 178.78 1jxv h GLY 63 N 0.13 1.10 0.56 0.00 0.00 -1.50 -1.80 103.07 101.55 1jxv h GLY 63 Ca 0.20 -0.80 0.04 0.00 0.00 0.00 0.00 47.33 46.77 1jxv h GLY 63 CO -0.31 0.73 -0.10 -2.00 0.00 0.00 0.00 176.54 174.86 1jxv h LEU 64 N 0.91 -0.33 -0.93 3.11 6.46 -0.64 0.58 115.31 124.47 1jxv h LEU 64 Ca 0.17 0.07 -0.09 0.00 -0.12 0.00 0.00 57.88 57.91 1jxv h LEU 64 Cb 0.53 0.17 -0.02 0.00 -0.73 0.00 0.00 40.66 40.62 1jxv h LEU 64 CO 0.03 -0.14 -0.15 0.58 -0.62 0.00 0.00 178.44 178.14 1jxv h VAL 65 N -0.11 1.25 -0.54 1.05 2.07 -1.25 -1.73 116.25 116.99 1jxv h VAL 65 Ca 0.09 -1.15 -0.05 0.00 0.82 0.00 0.00 66.70 66.41 1jxv h VAL 65 Cb 0.24 1.15 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 1jxv h VAL 65 CO -0.21 0.38 0.15 0.50 0.02 0.00 0.00 177.57 178.41 1jxv h LYS 66 N 0.56 0.86 -0.06 1.57 1.63 -0.83 -2.66 116.57 117.64 1jxv h LYS 66 Ca 0.10 -0.20 -0.03 0.00 -0.85 0.00 0.00 60.65 59.67 1jxv h LYS 66 Cb 0.58 -0.12 -0.00 0.00 -0.60 0.00 0.00 32.23 32.09 1jxv h LYS 66 CO 0.04 0.80 -0.07 -0.92 -3.45 0.00 0.00 179.45 175.84 1jxv h TYR 67 N 0.76 0.18 0.00 1.91 3.20 -0.70 -2.30 116.97 120.02 1jxv h TYR 67 Ca 0.17 -0.06 0.00 0.00 3.14 0.00 0.00 58.73 61.98 1jxv h TYR 67 Cb 0.31 -0.04 0.00 0.00 1.54 0.00 0.00 36.73 38.55 1jxv h TYR 67 CO 0.02 0.63 0.00 -1.33 -1.64 0.00 0.00 178.16 175.84 1jxv n MET 68 N -4.71 0.01 -0.00 1.82 2.81 -0.67 -1.32 117.12 115.06 1jxv n MET 68 Ca -0.08 0.37 0.10 0.00 -1.81 0.00 0.00 57.70 56.28 1jxv n MET 68 Cb 0.32 -1.50 -0.13 0.00 -0.71 0.00 0.00 33.22 31.19 1jxv n MET 68 CO 0.00 0.00 0.00 1.58 1.51 0.00 0.00 175.97 179.06 1jxv n HIS 69 N -1.49 0.00 0.41 2.03 -0.00 -1.00 -4.51 115.22 110.66 1jxv n HIS 69 Ca 0.02 0.00 0.05 0.00 -0.00 0.00 0.00 57.72 57.79 1jxv n HIS 69 Cb 0.08 -0.15 0.25 0.00 -0.00 0.00 0.00 29.99 30.17 1jxv n HIS 69 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.34 175.21 1jxv n SER 70 N -1.72 0.00 -3.59 0.26 3.41 -0.43 -4.82 113.62 106.73 1jxv n SER 70 Ca 0.01 0.46 -0.01 0.00 -0.26 0.00 0.00 58.87 59.07 1jxv n SER 70 Cb 0.39 -0.48 0.00 0.00 -0.26 0.00 0.00 64.21 63.87 1jxv n SER 70 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1jxv s GLY 71 N -2.95 -0.13 0.44 5.00 0.00 -1.26 -5.10 107.32 103.30 1jxv s GLY 71 Ca 0.06 0.07 -0.22 0.00 0.00 0.00 0.00 44.72 44.63 1jxv s GLY 71 CO 0.20 1.66 1.00 2.56 0.00 0.00 0.00 173.10 178.53 1jxv s PRO 72 N -2.52 4.08 0.19 2.90 0.04 -1.26 -4.61 135.00 133.82 1jxv s PRO 72 Ca 0.18 1.31 0.11 0.00 0.04 0.00 0.00 61.00 62.65 1jxv s PRO 72 Cb -0.00 -2.27 -0.04 0.00 0.04 0.00 0.00 34.50 32.22 1jxv s PRO 72 CO 0.02 -0.18 -0.23 0.14 0.04 0.00 0.00 177.00 176.78 1jxv s VAL 73 N -1.94 2.27 -0.38 -0.36 -7.23 0.15 -3.85 120.40 109.05 1jxv s VAL 73 Ca 0.62 -2.02 -0.13 0.00 -1.81 0.00 0.00 61.98 58.64 1jxv s VAL 73 Cb -0.15 -2.08 0.02 0.00 0.56 0.00 0.00 36.38 34.72 1jxv s VAL 73 CO 0.20 -0.15 0.25 -0.69 -0.31 0.00 0.00 175.10 174.40 1jxv s VAL 74 N -1.73 4.95 -0.11 1.32 1.01 -0.87 -1.39 120.40 123.59 1jxv s VAL 74 Ca 0.20 -0.69 -0.18 0.00 0.00 0.00 0.00 61.98 61.31 1jxv s VAL 74 Cb -0.08 -3.73 -0.04 0.00 0.00 0.00 0.00 36.38 32.53 1jxv s VAL 74 CO 0.09 -0.24 0.46 0.00 0.00 0.00 0.00 175.10 175.41 1jxv s ALA 75 N 1.63 3.51 0.08 5.51 0.00 0.64 -0.53 121.76 132.60 1jxv s ALA 75 Ca 0.04 -0.21 0.04 0.00 0.00 0.00 0.00 51.96 51.83 1jxv s ALA 75 Cb -0.19 -2.60 -0.03 0.00 0.00 0.00 0.00 23.12 20.30 1jxv s ALA 75 CO 0.09 0.06 -0.12 -1.64 0.00 0.00 0.00 175.76 174.15 1jxv s MET 76 N 0.42 0.82 -0.11 0.00 -1.94 0.13 -1.84 119.30 116.77 1jxv s MET 76 Ca 0.25 -1.03 0.03 0.00 -1.71 0.00 0.00 55.69 53.22 1jxv s MET 76 Cb -0.15 -0.67 0.01 0.00 2.01 0.00 0.00 34.83 36.03 1jxv s MET 76 CO 0.10 0.13 -0.20 0.08 -0.01 0.00 0.00 175.02 175.12 1jxv s VAL 77 N -1.79 1.82 0.13 -6.03 1.01 -0.08 -1.42 120.40 114.03 1jxv s VAL 77 Ca 0.01 -0.85 0.11 0.00 0.00 0.00 0.00 61.98 61.25 1jxv s VAL 77 Cb -0.07 -1.61 -0.04 0.00 0.00 0.00 0.00 36.38 34.66 1jxv s VAL 77 CO 0.01 0.50 -0.26 0.26 0.00 0.00 0.00 175.10 175.61 1jxv s TRP 78 N 0.71 2.27 -0.01 5.22 0.52 -0.76 -0.76 118.94 126.12 1jxv s TRP 78 Ca -0.11 -0.38 0.03 0.00 0.02 0.00 0.00 56.10 55.66 1jxv s TRP 78 Cb -0.16 -1.23 -0.01 0.00 -1.15 0.00 0.00 33.47 30.92 1jxv s TRP 78 CO 0.02 0.32 -0.12 -2.00 0.02 0.00 0.00 176.95 175.20 1jxv s GLU 79 N -2.03 1.00 0.00 4.98 2.12 -0.08 -0.90 118.70 123.78 1jxv s GLU 79 Ca 0.13 -0.41 0.00 0.00 0.36 0.00 0.00 54.97 55.05 1jxv s GLU 79 Cb -0.10 -0.95 0.00 0.00 0.26 0.00 0.00 34.13 33.34 1jxv s GLU 79 CO 0.06 0.23 0.00 0.41 -0.54 0.00 0.00 175.26 175.42 1jxv n GLY 80 N 2.89 0.86 3.63 -1.50 0.00 0.52 -1.49 105.19 110.11 1jxv n GLY 80 Ca -0.15 -1.12 -0.50 0.00 0.00 0.00 0.00 46.02 44.25 1jxv n GLY 80 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1jxv n LEU 81 N 0.00 2.99 -2.73 0.99 0.00 -1.26 -1.98 117.00 115.00 1jxv n LEU 81 Ca 0.00 0.82 -0.21 0.00 0.00 0.00 0.00 56.01 56.62 1jxv n LEU 81 Cb 0.00 -1.32 0.01 0.00 0.00 0.00 0.00 43.42 42.11 1jxv n LEU 81 CO 0.00 -0.30 -0.13 0.59 0.00 0.00 0.00 177.39 177.55 1jxv n ASN 82 N 7.49 -5.61 0.25 1.96 3.02 -1.26 -4.87 115.26 116.24 1jxv n ASN 82 Ca 0.28 -0.13 0.09 0.00 -0.03 0.00 0.00 54.58 54.79 1jxv n ASN 82 Cb 0.26 -4.62 0.65 0.00 -0.61 0.00 0.00 39.78 35.47 1jxv n ASN 82 CO 0.00 0.00 0.00 1.62 -2.62 0.00 0.00 177.26 176.26 1jxv h VAL 83 N -0.64 0.86 -0.12 2.41 3.04 -1.69 -0.78 116.25 119.33 1jxv h VAL 83 Ca -0.48 -0.44 -0.03 0.00 -1.01 0.00 0.00 66.70 64.74 1jxv h VAL 83 Cb 1.34 1.25 -0.00 0.00 -2.01 0.00 0.00 31.29 31.87 1jxv h VAL 83 CO 0.55 0.12 -0.04 0.58 -1.01 0.00 0.00 177.57 177.76 1jxv h VAL 84 N 0.00 1.30 0.05 1.51 2.07 -1.85 0.64 116.25 119.97 1jxv h VAL 84 Ca -0.00 -1.02 -0.22 0.00 0.82 0.00 0.00 66.70 66.28 1jxv h VAL 84 Cb 0.24 1.74 0.02 0.00 -1.52 0.00 0.00 31.29 31.78 1jxv h VAL 84 CO 0.02 0.29 -0.88 0.11 0.02 0.00 0.00 177.57 177.12 1jxv h LYS 85 N -0.10 0.50 -0.56 1.57 6.56 -1.81 -2.61 116.57 120.12 1jxv h LYS 85 Ca 0.03 -0.61 -0.06 0.00 -1.06 0.00 0.00 60.65 58.94 1jxv h LYS 85 Cb 0.48 0.19 -0.02 0.00 -0.57 0.00 0.00 32.23 32.31 1jxv h LYS 85 CO 0.01 1.24 0.12 1.15 -2.06 0.00 0.00 179.45 179.92 1jxv h THR 86 N 0.04 1.25 -0.78 -0.16 2.02 -1.16 -0.45 112.91 113.67 1jxv h THR 86 Ca -0.13 -0.91 0.12 0.00 0.77 0.00 0.00 66.41 66.27 1jxv h THR 86 Cb 1.59 0.76 -0.09 0.00 -1.74 0.00 0.00 68.15 68.68 1jxv h THR 86 CO 0.17 0.33 0.38 1.23 0.37 0.00 0.00 175.52 178.00 1jxv h GLY 87 N 0.81 1.21 1.21 2.16 0.00 0.25 0.20 103.07 108.91 1jxv h GLY 87 Ca 0.17 -0.22 -0.11 0.00 0.00 0.00 0.00 47.33 47.17 1jxv h GLY 87 CO 0.00 -0.01 -0.15 3.21 0.00 0.00 0.00 176.54 179.60 1jxv h ARG 88 N 0.58 0.92 -0.81 4.80 3.08 -0.99 0.40 114.38 122.37 1jxv h ARG 88 Ca 0.41 -0.35 -0.03 0.00 0.07 0.00 0.00 59.98 60.08 1jxv h ARG 88 Cb 0.53 -0.05 -0.04 0.00 0.08 0.00 0.00 29.97 30.49 1jxv h ARG 88 CO -0.33 1.00 0.38 0.28 -1.07 0.00 0.00 179.97 180.23 1jxv h VAL 89 N 0.82 1.25 -0.29 2.04 2.07 -0.08 -0.35 116.25 121.71 1jxv h VAL 89 Ca 0.12 -0.72 -0.16 0.00 0.82 0.00 0.00 66.70 66.77 1jxv h VAL 89 Cb 0.69 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 30.68 1jxv h VAL 89 CO 0.05 0.31 -0.45 0.24 0.02 0.00 0.00 177.57 177.74 1jxv h MET 90 N 1.15 0.74 -0.61 1.57 2.86 0.01 -2.63 114.93 118.02 1jxv h MET 90 Ca 0.28 -0.42 -0.07 0.00 -2.06 0.00 0.00 59.70 57.43 1jxv h MET 90 Cb 0.13 0.03 -0.03 0.00 0.06 0.00 0.00 31.60 31.79 1jxv h MET 90 CO -0.03 1.04 0.09 -0.07 1.06 0.00 0.00 176.91 179.00 1jxv h LEU 91 N 0.59 0.96 0.00 1.22 3.38 -0.74 -1.45 115.31 119.27 1jxv h LEU 91 Ca 0.04 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.79 1jxv h LEU 91 Cb 1.01 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.51 1jxv h LEU 91 CO 0.10 0.96 0.00 0.61 0.09 0.00 0.00 178.44 180.20 1jxv n GLY 92 N -0.64 -0.16 3.71 0.83 0.00 -0.16 -1.28 105.19 107.48 1jxv n GLY 92 Ca 0.04 -1.92 -0.40 0.00 0.00 0.00 0.00 46.02 43.74 1jxv n GLY 92 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1jxv n GLU 93 N -0.33 1.85 -0.18 1.61 4.71 -1.26 -4.84 120.64 122.20 1jxv n GLU 93 Ca 0.00 0.66 0.06 0.00 -0.01 0.00 0.00 57.16 57.88 1jxv n GLU 93 Cb 0.00 -2.43 0.35 0.00 -1.01 0.00 0.00 31.44 28.35 1jxv n GLU 93 CO 0.00 0.00 0.00 1.15 0.09 0.00 0.00 177.13 178.37 1jxv h THR 94 N 1.88 1.03 -3.57 2.62 2.02 -1.95 -3.34 112.91 111.60 1jxv h THR 94 Ca -0.49 -0.26 -0.63 0.00 0.77 0.00 0.00 66.41 65.81 1jxv h THR 94 Cb 1.30 0.21 -0.13 0.00 -1.74 0.00 0.00 68.15 67.79 1jxv h THR 94 CO 0.59 0.14 0.27 0.21 0.37 0.00 0.00 175.52 177.09 1jxv s ASN 95 N -6.23 6.46 0.65 4.18 2.47 -1.26 -4.80 114.94 116.41 1jxv s ASN 95 Ca -0.10 0.12 0.28 0.00 0.42 0.00 0.00 52.86 53.59 1jxv s ASN 95 Cb 0.19 -2.36 1.52 0.00 -1.45 0.00 0.00 41.25 39.15 1jxv s ASN 95 CO 0.77 -0.73 1.88 -0.65 -3.72 0.00 0.00 177.10 174.65 1jxv h PRO 96 N 8.61 0.00 0.00 0.43 0.11 -1.79 0.23 132.00 139.59 1jxv h PRO 96 Ca -0.25 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.78 1jxv h PRO 96 Cb 1.10 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 1jxv h PRO 96 CO 0.89 0.00 -0.37 0.00 -0.21 0.00 0.00 178.00 178.31 1jxv h ALA 97 N 1.31 1.03 -0.15 -0.75 0.00 -1.89 -2.15 119.26 116.66 1jxv h ALA 97 Ca 0.05 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1jxv h ALA 97 Cb 0.84 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1jxv h ALA 97 CO -0.00 0.46 0.00 -0.25 0.00 0.00 0.00 179.25 179.46 1jxv n ASP 98 N -3.58 3.16 -4.73 0.00 8.00 0.78 -4.95 116.55 115.23 1jxv n ASP 98 Ca -0.00 -2.00 -0.41 0.00 0.71 0.00 0.00 54.79 53.09 1jxv n ASP 98 Cb 0.49 -0.08 -0.04 0.00 -0.02 0.00 0.00 41.12 41.47 1jxv n ASP 98 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1jxv s SER 99 N -1.82 7.29 0.25 -2.24 0.01 -0.81 -4.55 113.70 111.83 1jxv s SER 99 Ca 0.32 1.98 -0.14 0.00 1.31 0.00 0.00 55.95 59.41 1jxv s SER 99 Cb 0.21 -2.59 -0.08 0.00 0.21 0.00 0.00 66.02 63.77 1jxv s SER 99 CO 0.31 -0.24 0.65 -0.54 0.41 0.00 0.00 173.24 173.83 1jxv s LYS 100 N 0.08 3.98 0.34 12.44 -0.14 -1.26 -4.59 119.74 130.59 1jxv s LYS 100 Ca 0.51 0.56 -0.27 0.00 -1.36 0.00 0.00 55.97 55.40 1jxv s LYS 100 Cb -0.27 -2.63 -0.13 0.00 -1.68 0.00 0.00 37.83 33.12 1jxv s LYS 100 CO 0.32 0.29 1.09 -2.30 -0.76 0.00 0.00 175.35 173.99 1jxv n PRO 101 N 0.04 1.58 0.00 -1.68 -0.02 -1.26 -2.29 135.00 131.36 1jxv n PRO 101 Ca 0.00 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 62.04 1jxv n PRO 101 Cb 0.52 -2.04 0.00 0.00 -0.02 0.00 0.00 33.50 31.96 1jxv n PRO 101 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1jxv n GLY 102 N 1.07 2.28 3.96 -1.23 0.00 -1.26 -4.97 105.19 105.04 1jxv n GLY 102 Ca 0.08 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.87 1jxv n GLY 102 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1jxv s THR 103 N -2.33 3.11 0.03 2.61 -4.23 -0.97 -4.92 115.64 108.93 1jxv s THR 103 Ca 0.00 -0.51 -0.24 0.00 -1.18 0.00 0.00 61.69 59.76 1jxv s THR 103 Cb 0.00 -3.18 -0.17 0.00 1.34 0.00 0.00 72.50 70.49 1jxv s THR 103 CO 0.00 -0.14 1.44 0.40 -0.54 0.00 0.00 174.62 175.78 1jxv h ILE 104 N 0.07 1.26 0.00 2.99 2.04 -1.27 0.38 117.51 122.99 1jxv h ILE 104 Ca -0.44 -0.80 -0.13 0.00 1.00 0.00 0.00 64.86 64.48 1jxv h ILE 104 Cb 1.28 1.72 -0.02 0.00 -0.74 0.00 0.00 36.82 39.06 1jxv h ILE 104 CO 0.55 0.22 -0.64 0.03 0.00 0.00 0.00 178.15 178.32 1jxv h ARG 105 N -0.23 0.00 -0.36 2.37 3.08 -1.45 -0.89 114.38 116.90 1jxv h ARG 105 Ca 0.01 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.02 1jxv h ARG 105 Cb 0.35 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.39 1jxv h ARG 105 CO 0.00 0.64 0.05 0.78 -1.07 0.00 0.00 179.97 180.37 1jxv h GLY 106 N 2.21 0.64 1.39 0.04 0.00 -1.68 -2.50 103.07 103.17 1jxv h GLY 106 Ca -0.01 -0.43 -0.23 0.00 0.00 0.00 0.00 47.33 46.67 1jxv h GLY 106 CO 0.08 0.40 -0.88 -0.55 0.00 0.00 0.00 176.54 175.60 1jxv h ASP 107 N 0.43 0.71 -0.00 0.19 3.32 -0.68 -3.41 116.42 116.98 1jxv h ASP 107 Ca 0.11 -0.52 0.00 0.00 0.02 0.00 0.00 57.03 56.64 1jxv h ASP 107 Cb 0.37 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.70 1jxv h ASP 107 CO 0.01 1.31 -0.19 0.49 -1.72 0.00 0.00 179.24 179.14 1jxv n PHE 108 N -3.84 0.00 -3.97 4.55 3.72 -0.36 -5.08 117.46 112.48 1jxv n PHE 108 Ca -0.07 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.23 1jxv n PHE 108 Cb 0.79 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.30 1jxv n PHE 108 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1jxv n ILE 110 N -0.46 0.00 -5.21 0.00 5.41 -1.26 -4.72 119.36 113.12 1jxv n ILE 110 Ca -0.02 0.00 -0.31 0.00 1.00 0.00 0.00 62.75 63.42 1jxv n ILE 110 Cb 0.61 -0.84 -0.16 0.00 -0.71 0.00 0.00 39.64 38.54 1jxv n ILE 110 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 176.55 174.97 1jxv s GLN 111 N -1.91 2.02 0.52 0.38 0.74 -1.26 -4.10 119.66 116.06 1jxv s GLN 111 Ca 0.00 -0.96 0.26 0.00 0.05 0.00 0.00 55.36 54.71 1jxv s GLN 111 Cb 0.00 -2.01 1.46 0.00 1.10 0.00 0.00 33.01 33.56 1jxv s GLN 111 CO 0.00 0.54 2.10 -0.24 -0.55 0.00 0.00 175.29 177.14 1jxv h VAL 112 N 4.44 0.63 0.00 1.34 3.04 -1.95 0.09 116.25 123.84 1jxv h VAL 112 Ca -0.44 -0.44 -0.01 0.00 -1.01 0.00 0.00 66.70 64.80 1jxv h VAL 112 Cb 1.13 1.28 -0.00 0.00 -2.01 0.00 0.00 31.29 31.68 1jxv h VAL 112 CO 0.46 0.10 -0.06 1.23 -1.01 0.00 0.00 177.57 178.30 1jxv h GLY 113 N 0.65 0.00 -6.13 3.17 0.00 -1.95 -3.30 103.07 95.51 1jxv h GLY 113 Ca -0.00 0.00 -0.59 0.00 0.00 0.00 0.00 47.33 46.74 1jxv h GLY 113 CO 0.01 0.00 -0.74 0.54 0.00 0.00 0.00 176.54 176.36 1jxv n ARG 114 N -3.12 2.03 -0.54 4.80 5.12 0.01 -4.93 116.66 120.02 1jxv n ARG 114 Ca 0.03 -4.27 0.04 0.00 -1.93 0.00 0.00 57.85 51.72 1jxv n ARG 114 Cb 0.50 -1.97 0.22 0.00 -1.16 0.00 0.00 32.46 30.05 1jxv n ARG 114 CO 0.00 0.00 0.00 0.27 -1.93 0.00 0.00 177.63 175.97 1jxv n ASN 115 N 0.99 3.14 0.00 0.55 6.94 -1.18 -4.22 115.26 121.48 1jxv n ASN 115 Ca 0.27 -3.33 0.00 0.00 -0.02 0.00 0.00 54.58 51.51 1jxv n ASN 115 Cb 0.44 -0.57 0.00 0.00 -2.36 0.00 0.00 39.78 37.30 1jxv n ASN 115 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1jxv n ILE 116 N -0.87 0.00 -3.58 1.53 0.13 -1.26 -4.77 119.36 110.55 1jxv n ILE 116 Ca 0.25 0.00 -0.14 0.00 -1.10 0.00 0.00 62.75 61.77 1jxv n ILE 116 Cb 0.92 0.00 -0.05 0.00 -0.84 0.00 0.00 39.64 39.67 1jxv n ILE 116 CO 0.00 0.00 0.00 -0.51 2.80 0.00 0.00 176.55 178.84 1jxv s ILE 117 N 0.00 0.03 -0.00 9.51 2.07 -1.26 -0.86 121.20 130.69 1jxv s ILE 117 Ca 0.00 -0.26 0.06 0.00 -1.41 0.00 0.00 60.65 59.04 1jxv s ILE 117 Cb 0.00 -0.99 -0.02 0.00 0.13 0.00 0.00 42.46 41.59 1jxv s ILE 117 CO 0.00 -0.15 -0.19 -2.28 -1.91 0.00 0.00 174.94 170.42 1jxv s HIS 118 N -2.58 1.69 0.02 3.50 5.65 0.14 -4.88 115.29 118.83 1jxv s HIS 118 Ca -0.05 -0.33 0.03 0.00 0.25 0.00 0.00 55.06 54.97 1jxv s HIS 118 Cb -0.01 -1.07 -0.01 0.00 -1.18 0.00 0.00 32.58 30.31 1jxv s HIS 118 CO -0.03 -0.01 -0.10 0.20 -0.65 0.00 0.00 174.74 174.16 1jxv s GLY 119 N -0.58 0.54 0.25 1.59 0.00 -1.26 -0.89 107.32 106.96 1jxv s GLY 119 Ca 0.07 -0.58 -0.30 0.00 0.00 0.00 0.00 44.72 43.90 1jxv s GLY 119 CO -0.00 -0.56 1.21 1.44 0.00 0.00 0.00 173.10 175.19 1jxv n SER 120 N 2.27 1.96 0.07 1.64 7.64 -0.59 -4.91 113.62 121.70 1jxv n SER 120 Ca -0.17 1.16 0.11 0.00 1.01 0.00 0.00 58.87 60.99 1jxv n SER 120 Cb 0.56 -1.34 0.01 0.00 -1.01 0.00 0.00 64.21 62.43 1jxv n SER 120 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1jxv n ASP 121 N 1.65 0.68 -3.88 6.43 5.68 -1.26 -4.79 116.55 121.05 1jxv n ASP 121 Ca 0.11 0.14 -0.09 0.00 -0.50 0.00 0.00 54.79 54.45 1jxv n ASP 121 Cb 0.30 0.65 -0.07 0.00 -1.14 0.00 0.00 41.12 40.86 1jxv n ASP 121 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 1jxv s SER 122 N -4.75 0.13 0.41 -1.12 1.04 -1.26 -4.94 113.70 103.21 1jxv s SER 122 Ca 0.01 -0.70 0.09 0.00 0.48 0.00 0.00 55.95 55.83 1jxv s SER 122 Cb 0.12 0.34 0.89 0.00 0.10 0.00 0.00 66.02 67.47 1jxv s SER 122 CO 0.79 -0.74 2.00 0.58 0.98 0.00 0.00 173.24 176.86 1jxv h VAL 123 N 2.75 1.01 0.07 5.02 2.07 -1.93 0.28 116.25 125.51 1jxv h VAL 123 Ca -0.34 -0.19 -0.28 0.00 0.82 0.00 0.00 66.70 66.71 1jxv h VAL 123 Cb 1.20 0.40 0.02 0.00 -1.52 0.00 0.00 31.29 31.40 1jxv h VAL 123 CO 0.56 0.10 -1.15 1.05 0.02 0.00 0.00 177.57 178.14 1jxv h GLU 124 N 0.55 0.60 0.00 1.57 -0.00 -1.97 -2.23 114.58 113.11 1jxv h GLU 124 Ca 0.24 -0.75 -0.10 0.00 -0.00 0.00 0.00 59.36 58.75 1jxv h GLU 124 Cb 0.24 0.24 -0.01 0.00 -0.00 0.00 0.00 28.75 29.22 1jxv h GLU 124 CO -0.07 1.33 -0.46 0.66 -0.00 0.00 0.00 179.01 180.47 1jxv h SER 125 N 0.30 0.00 -0.26 3.06 4.64 -1.87 -1.71 113.55 117.70 1jxv h SER 125 Ca -0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.16 1jxv h SER 125 Cb 1.82 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.90 1jxv h SER 125 CO 0.22 0.46 0.17 0.00 -0.87 0.00 0.00 176.83 176.81 1jxv h ALA 126 N 1.54 0.34 -0.31 5.18 0.00 -0.36 -0.04 119.26 125.61 1jxv h ALA 126 Ca -0.00 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.76 1jxv h ALA 126 Cb 0.95 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 1jxv h ALA 126 CO 0.06 -0.18 -0.28 0.93 0.00 0.00 0.00 179.25 179.78 1jxv h GLU 127 N 0.35 0.64 0.07 0.00 4.39 -1.09 -0.08 114.58 118.87 1jxv h GLU 127 Ca 0.10 -0.27 0.02 0.00 0.34 0.00 0.00 59.36 59.54 1jxv h GLU 127 Cb -0.02 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 28.58 1jxv h GLU 127 CO -0.02 0.85 -0.17 -0.22 -1.16 0.00 0.00 179.01 178.29 1jxv h LYS 128 N 0.55 -0.31 -0.29 2.33 1.63 -0.90 -2.22 116.57 117.36 1jxv h LYS 128 Ca 0.07 0.02 -0.17 0.00 -0.85 0.00 0.00 60.65 59.72 1jxv h LYS 128 Cb 0.77 0.07 -0.00 0.00 -0.60 0.00 0.00 32.23 32.46 1jxv h LYS 128 CO 0.06 -0.20 -0.50 0.93 -3.45 0.00 0.00 179.45 176.29 1jxv h GLU 129 N -0.32 0.82 -0.75 1.90 5.08 -0.58 0.62 114.58 121.34 1jxv h GLU 129 Ca 0.03 -0.49 0.01 0.00 -1.00 0.00 0.00 59.36 57.91 1jxv h GLU 129 Cb 0.35 0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.61 1jxv h GLU 129 CO -0.11 1.12 0.50 0.82 -1.00 0.00 0.00 179.01 180.34 1jxv h ILE 130 N 0.64 1.20 -0.16 3.13 2.04 -1.03 0.70 117.51 124.02 1jxv h ILE 130 Ca 0.03 -0.36 -0.14 0.00 1.00 0.00 0.00 64.86 65.39 1jxv h ILE 130 Cb 1.09 0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 37.25 1jxv h ILE 130 CO 0.11 0.19 -0.50 1.23 0.00 0.00 0.00 178.15 179.18 1jxv h GLY 131 N 1.02 0.48 1.66 5.37 0.00 -1.07 0.15 103.07 110.68 1jxv h GLY 131 Ca 0.28 -0.53 -0.16 0.00 0.00 0.00 0.00 47.33 46.92 1jxv h GLY 131 CO -0.06 0.48 -0.62 -2.00 0.00 0.00 0.00 176.54 174.34 1jxv h LEU 132 N 0.35 0.40 0.00 3.11 5.85 -0.25 -3.35 115.31 121.42 1jxv h LEU 132 Ca 0.02 -0.23 -0.11 0.00 0.84 0.00 0.00 57.88 58.39 1jxv h LEU 132 Cb 1.00 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.90 1jxv h LEU 132 CO 0.09 0.92 -2.03 0.79 -0.34 0.00 0.00 178.44 177.86 1jxv n TRP 133 N -3.89 0.00 -4.90 1.25 7.02 0.18 -4.97 117.44 112.13 1jxv n TRP 133 Ca -0.03 0.00 -0.27 0.00 -1.02 0.00 0.00 57.50 56.19 1jxv n TRP 133 Cb 0.63 -0.61 -0.16 0.00 -2.42 0.00 0.00 31.31 28.76 1jxv n TRP 133 CO 0.00 0.00 0.00 -0.06 -2.02 0.00 0.00 177.69 175.61 1jxv s PHE 134 N -3.09 1.78 0.35 -5.99 0.40 0.50 -5.08 117.98 106.85 1jxv s PHE 134 Ca -0.08 -0.46 -0.26 0.00 -0.60 0.00 0.00 56.93 55.53 1jxv s PHE 134 Cb 0.10 -1.18 -0.09 0.00 0.51 0.00 0.00 43.02 42.37 1jxv s PHE 134 CO 0.81 -0.13 1.08 -1.01 0.70 0.00 0.00 175.22 176.68 1jxv s HIS 135 N -0.14 3.36 0.45 0.36 3.76 -1.26 -4.56 115.29 117.25 1jxv s HIS 135 Ca -0.00 1.65 0.38 0.00 -0.15 0.00 0.00 55.06 56.94 1jxv s HIS 135 Cb -0.10 -3.22 1.91 0.00 1.11 0.00 0.00 32.58 32.27 1jxv s HIS 135 CO 0.01 -0.69 2.20 -1.00 -0.85 0.00 0.00 174.74 174.41 1jxv h PRO 136 N 3.01 0.00 -0.01 8.40 0.13 -1.95 0.15 132.00 141.74 1jxv h PRO 136 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1jxv h PRO 136 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1jxv h PRO 136 CO 0.64 0.02 -0.04 -0.85 -0.23 0.00 0.00 178.00 177.54 1jxv n GLU 137 N -3.23 1.07 0.00 0.86 0.00 -1.26 -2.66 120.64 115.43 1jxv n GLU 137 Ca -0.02 -0.38 0.12 0.00 0.00 0.00 0.00 57.16 56.89 1jxv n GLU 137 Cb 0.17 -1.49 0.30 0.00 0.00 0.00 0.00 31.44 30.42 1jxv n GLU 137 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1jxv n GLU 138 N -0.63 0.37 -3.39 3.44 1.02 0.53 -4.81 120.64 117.17 1jxv n GLU 138 Ca 0.19 -0.22 -0.40 0.00 -0.02 0.00 0.00 57.16 56.71 1jxv n GLU 138 Cb 0.25 -1.50 -0.09 0.00 -0.02 0.00 0.00 31.44 30.08 1jxv n GLU 138 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1jxv s LEU 139 N -2.78 4.25 -0.18 -4.62 1.43 -1.09 -4.65 118.68 111.04 1jxv s LEU 139 Ca 0.17 0.00 -0.12 0.00 -1.03 0.00 0.00 54.13 53.15 1jxv s LEU 139 Cb 0.18 -2.39 -0.05 0.00 0.03 0.00 0.00 46.19 43.96 1jxv s LEU 139 CO 0.62 -0.28 0.21 -0.69 0.23 0.00 0.00 176.35 176.44 1jxv s VAL 140 N 2.07 5.36 -0.17 -1.59 1.01 0.45 -5.03 120.40 122.50 1jxv s VAL 140 Ca 0.14 0.36 -0.05 0.00 0.00 0.00 0.00 61.98 62.42 1jxv s VAL 140 Cb -0.16 -3.55 -0.03 0.00 0.00 0.00 0.00 36.38 32.64 1jxv s VAL 140 CO 0.11 0.41 0.00 -1.81 0.00 0.00 0.00 175.10 173.82 1jxv s ASP 141 N 0.45 5.10 0.24 3.32 1.01 -1.26 -4.59 116.67 120.94 1jxv s ASP 141 Ca 0.12 -0.06 -0.20 0.00 0.71 0.00 0.00 52.55 53.12 1jxv s ASP 141 Cb -0.12 -1.86 0.03 0.00 1.01 0.00 0.00 42.92 41.98 1jxv s ASP 141 CO 0.01 0.15 0.64 -0.72 0.21 0.00 0.00 175.17 175.46 1jxv s TYR 142 N 0.47 -0.17 -0.19 4.23 1.13 -1.26 -5.15 117.35 116.40 1jxv s TYR 142 Ca -0.01 -0.22 -0.06 0.00 -1.41 0.00 0.00 57.07 55.38 1jxv s TYR 142 Cb -0.14 0.57 -0.03 0.00 -1.10 0.00 0.00 41.96 41.26 1jxv s TYR 142 CO 0.02 -1.09 0.02 0.99 -2.51 0.00 0.00 175.55 172.98 1jxv s THR 143 N -3.90 4.29 0.36 -3.49 2.01 -1.26 -5.09 115.64 108.57 1jxv s THR 143 Ca 0.10 -0.20 -0.28 0.00 0.31 0.00 0.00 61.69 61.62 1jxv s THR 143 Cb -0.04 -2.93 -0.10 0.00 0.01 0.00 0.00 72.50 69.44 1jxv s THR 143 CO 0.02 0.44 1.33 -0.55 -0.69 0.00 0.00 174.62 175.17 1jxv s SER 144 N 0.72 6.59 0.65 3.53 0.15 -1.26 -4.89 113.70 119.19 1jxv s SER 144 Ca 0.01 2.73 0.43 0.00 0.70 0.00 0.00 55.95 59.82 1jxv s SER 144 Cb -0.14 -2.65 2.28 0.00 -1.71 0.00 0.00 66.02 63.80 1jxv s SER 144 CO 0.02 -0.67 2.32 0.00 1.20 0.00 0.00 173.24 176.11 1jxv n ALA 146 N -2.08 2.42 -0.25 0.00 0.00 -1.26 -4.66 120.51 114.68 1jxv n ALA 146 Ca -0.02 -0.97 0.01 0.00 0.00 0.00 0.00 53.44 52.46 1jxv n ALA 146 Cb 0.11 -0.84 0.14 0.00 0.00 0.00 0.00 19.45 18.86 1jxv n ALA 146 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1jxv h GLN 147 N 4.40 0.61 0.00 0.00 4.15 -1.83 0.17 115.11 122.61 1jxv h GLN 147 Ca 0.00 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.38 1jxv h GLN 147 Cb 0.97 -0.14 0.00 0.00 0.21 0.00 0.00 27.48 28.53 1jxv h GLN 147 CO 0.00 0.40 0.00 0.09 -1.93 0.00 0.00 178.83 177.39 1jxv n ASN 148 N -4.84 0.00 -0.00 -0.69 3.02 -1.26 -0.63 115.26 110.86 1jxv n ASN 148 Ca 0.11 0.44 0.08 0.00 -0.03 0.00 0.00 54.58 55.18 1jxv n ASN 148 Cb 0.27 -0.47 -0.10 0.00 -0.61 0.00 0.00 39.78 38.87 1jxv n ASN 148 CO 0.00 0.00 0.00 0.79 -2.62 0.00 0.00 177.26 175.43 1jxv n TRP 149 N -1.47 0.00 -0.08 3.10 7.02 0.50 -4.30 117.44 122.20 1jxv n TRP 149 Ca 0.05 0.00 -0.13 0.00 -1.02 0.00 0.00 57.50 56.40 1jxv n TRP 149 Cb 0.23 -0.01 -0.14 0.00 -2.42 0.00 0.00 31.31 28.97 1jxv n TRP 149 CO 0.00 0.00 0.00 -0.89 -2.02 0.00 0.00 177.69 174.78 1jxv n ILE 150 N -1.40 1.51 -4.32 -0.99 5.41 -0.54 -4.99 119.36 114.04 1jxv n ILE 150 Ca 0.03 -0.74 -0.20 0.00 1.00 0.00 0.00 62.75 62.83 1jxv n ILE 150 Cb 0.26 -1.00 -0.13 0.00 -0.71 0.00 0.00 39.64 38.07 1jxv n ILE 150 CO 0.00 0.00 0.00 -0.31 0.00 0.00 0.00 176.55 176.24 1jxv s TYR 151 N -2.53 1.33 -2.00 1.39 2.02 0.20 -5.10 117.35 112.67 1jxv s TYR 151 Ca -0.17 -0.39 0.21 0.00 -0.37 0.00 0.00 57.07 56.35 1jxv s TYR 151 Cb 0.07 -0.77 1.23 0.00 -0.40 0.00 0.00 41.96 42.09 1jxv s TYR 151 CO 0.76 0.06 1.61 0.39 -1.57 0.00 0.00 175.55 176.80