#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 0.81 -4.14 0.00 2.13 -1.25 -4.70 120.64 113.49 1jxv n GLU 5 Ca 0.00 0.32 -0.15 0.00 0.66 0.00 0.00 57.16 57.99 1jxv n GLU 5 Cb 0.00 -2.20 -0.13 0.00 0.27 0.00 0.00 31.44 29.38 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 -2.94 0.55 0.14 5.31 0.52 -1.26 -0.29 118.95 120.98 1jxv s ARG 6 Ca 0.77 -0.54 0.05 0.00 -0.52 0.00 0.00 55.73 55.49 1jxv s ARG 6 Cb -0.40 -0.44 -0.04 0.00 0.52 0.00 0.00 34.95 34.60 1jxv s ARG 6 CO 0.47 0.10 -0.12 -0.08 0.02 0.00 0.00 175.30 175.69 1jxv s THR 7 N -0.82 1.25 -0.23 0.02 -1.32 0.05 -4.75 115.64 109.84 1jxv s THR 7 Ca -0.04 -1.93 -0.09 0.00 -1.21 0.00 0.00 61.69 58.43 1jxv s THR 7 Cb -0.07 -1.72 -0.04 0.00 -1.51 0.00 0.00 72.50 69.16 1jxv s THR 7 CO 0.00 -0.61 0.12 0.12 -2.21 0.00 0.00 174.62 172.04 1jxv s PHE 8 N -2.83 3.25 -0.12 9.09 5.36 -1.26 -1.64 117.98 129.83 1jxv s PHE 8 Ca 0.14 0.06 0.01 0.00 -0.96 0.00 0.00 56.93 56.18 1jxv s PHE 8 Cb -0.01 -2.21 0.02 0.00 -0.34 0.00 0.00 43.02 40.48 1jxv s PHE 8 CO 0.02 0.00 -0.15 0.42 -1.46 0.00 0.00 175.22 174.05 1jxv s ILE 9 N 0.99 1.53 -0.15 3.12 1.09 -0.51 -1.59 121.20 125.68 1jxv s ILE 9 Ca 0.06 -0.65 -0.00 0.00 -1.10 0.00 0.00 60.65 58.96 1jxv s ILE 9 Cb -0.14 -1.41 -0.01 0.00 -1.06 0.00 0.00 42.46 39.85 1jxv s ILE 9 CO 0.04 0.45 -0.14 0.00 -0.10 0.00 0.00 174.94 175.19 1jxv s ALA 10 N 1.08 2.56 -0.27 9.38 0.00 -0.01 0.24 121.76 134.73 1jxv s ALA 10 Ca -0.04 -1.00 -0.24 0.00 0.00 0.00 0.00 51.96 50.68 1jxv s ALA 10 Cb -0.14 -1.25 -0.00 0.00 0.00 0.00 0.00 23.12 21.72 1jxv s ALA 10 CO -0.03 0.04 0.79 0.42 0.00 0.00 0.00 175.76 176.98 1jxv s ILE 11 N 0.70 4.83 0.89 0.00 1.01 0.13 0.28 121.20 129.03 1jxv s ILE 11 Ca -0.07 1.34 -0.12 0.00 0.00 0.00 0.00 60.65 61.80 1jxv s ILE 11 Cb -0.15 -4.11 0.13 0.00 0.01 0.00 0.00 42.46 38.33 1jxv s ILE 11 CO 0.02 -0.15 1.16 -0.54 0.00 0.00 0.00 174.94 175.43 1jxv s LYS 12 N 2.87 1.33 0.31 2.79 1.02 -0.04 -1.86 119.74 126.15 1jxv s LYS 12 Ca 0.33 0.19 0.07 0.00 0.02 0.00 0.00 55.97 56.58 1jxv s LYS 12 Cb -0.15 -1.87 0.80 0.00 -0.52 0.00 0.00 37.83 36.10 1jxv s LYS 12 CO 0.10 -2.05 1.73 -1.35 -0.92 0.00 0.00 175.35 172.86 1jxv h PRO 13 N -1.39 0.56 0.00 -1.68 0.11 -1.85 -0.91 132.00 126.85 1jxv h PRO 13 Ca -0.49 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 65.51 1jxv h PRO 13 Cb 1.33 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 1jxv h PRO 13 CO 0.62 0.37 -0.39 0.38 -0.21 0.00 0.00 178.00 178.77 1jxv h ASP 14 N 0.58 0.00 0.19 -2.05 2.03 -1.89 -0.60 116.42 114.68 1jxv h ASP 14 Ca 0.60 0.00 -0.19 0.00 -0.73 0.00 0.00 57.03 56.72 1jxv h ASP 14 Cb 1.10 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 39.59 1jxv h ASP 14 CO -0.46 0.39 -0.72 1.23 -1.03 0.00 0.00 179.24 178.65 1jxv h GLY 15 N 1.67 0.51 0.58 7.15 0.00 -1.33 -1.47 103.07 110.18 1jxv h GLY 15 Ca -0.00 -0.70 -0.04 0.00 0.00 0.00 0.00 47.33 46.58 1jxv h GLY 15 CO 0.05 0.63 -0.11 -2.08 0.00 0.00 0.00 176.54 175.02 1jxv h VAL 16 N 0.32 1.42 -0.83 4.60 2.07 -1.12 -1.45 116.25 121.26 1jxv h VAL 16 Ca -0.03 -1.41 0.12 0.00 0.82 0.00 0.00 66.70 66.19 1jxv h VAL 16 Cb 1.29 2.21 -0.06 0.00 -1.52 0.00 0.00 31.29 33.21 1jxv h VAL 16 CO 0.13 0.39 0.54 1.56 0.02 0.00 0.00 177.57 180.21 1jxv h GLN 17 N -0.31 0.67 -0.41 1.57 1.08 -1.09 -1.33 115.11 115.29 1jxv h GLN 17 Ca 0.00 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.16 1jxv h GLN 17 Cb 0.69 -0.15 0.00 0.00 -0.05 0.00 0.00 27.48 27.97 1jxv h GLN 17 CO 0.03 0.44 0.00 0.54 -0.95 0.00 0.00 178.83 178.89 1jxv n ARG 18 N -4.52 2.08 -3.09 1.46 1.74 -0.56 -4.95 116.66 108.81 1jxv n ARG 18 Ca 0.15 -1.66 -0.14 0.00 -0.77 0.00 0.00 57.85 55.43 1jxv n ARG 18 Cb 0.39 -1.39 0.05 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 1.26 -0.02 0.63 -0.13 0.00 -0.50 -4.94 105.19 101.50 1jxv n GLY 19 Ca 0.16 -0.10 0.06 0.00 0.00 0.00 0.00 46.02 46.14 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 -3.22 2.99 -0.02 0.99 4.77 -0.56 -4.66 117.00 117.30 1jxv n LEU 20 Ca -0.06 -2.13 -0.12 0.00 -0.03 0.00 0.00 56.01 53.67 1jxv n LEU 20 Cb 0.56 -0.26 -0.08 0.00 -2.33 0.00 0.00 43.42 41.31 1jxv n LEU 20 CO 0.40 0.71 0.71 0.58 -1.33 0.00 0.00 177.39 178.46 1jxv h VAL 21 N 1.88 1.28 -0.37 4.08 2.07 -1.89 -1.07 116.25 122.23 1jxv h VAL 21 Ca 0.00 -0.87 -0.12 0.00 0.82 0.00 0.00 66.70 66.53 1jxv h VAL 21 Cb 0.81 1.75 -0.01 0.00 -1.52 0.00 0.00 31.29 32.32 1jxv h VAL 21 CO 0.03 0.24 -0.25 1.23 0.02 0.00 0.00 177.57 178.83 1jxv h GLY 22 N -0.23 0.83 0.81 2.17 0.00 -1.96 -1.97 103.07 102.72 1jxv h GLY 22 Ca 0.01 -0.73 0.02 0.00 0.00 0.00 0.00 47.33 46.64 1jxv h GLY 22 CO 0.00 0.66 0.04 -2.09 0.00 0.00 0.00 176.54 175.16 1jxv h GLU 23 N 0.66 0.12 -0.27 4.80 4.57 -1.83 -1.36 114.58 121.27 1jxv h GLU 23 Ca 0.09 -0.01 -0.03 0.00 -1.18 0.00 0.00 59.36 58.23 1jxv h GLU 23 Cb 0.77 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.32 1jxv h GLU 23 CO 0.06 0.08 0.05 0.82 -1.18 0.00 0.00 179.01 178.84 1jxv h ILE 24 N 0.12 1.23 -0.47 2.32 2.04 -0.97 -2.92 117.51 118.87 1jxv h ILE 24 Ca 0.08 -0.76 -0.02 0.00 1.00 0.00 0.00 64.86 65.17 1jxv h ILE 24 Cb 0.07 1.21 -0.02 0.00 -0.74 0.00 0.00 36.82 37.34 1jxv h ILE 24 CO -0.10 0.24 0.22 0.40 0.00 0.00 0.00 178.15 178.91 1jxv h ILE 25 N 0.26 1.16 -0.21 -0.67 2.04 -1.30 -2.06 117.51 116.74 1jxv h ILE 25 Ca 0.08 -0.45 -0.06 0.00 1.00 0.00 0.00 64.86 65.43 1jxv h ILE 25 Cb 0.32 0.57 -0.01 0.00 -0.74 0.00 0.00 36.82 36.95 1jxv h ILE 25 CO 0.00 0.19 -0.13 0.50 0.00 0.00 0.00 178.15 178.71 1jxv h LYS 26 N 0.65 0.34 -0.36 2.37 3.64 -1.09 -1.21 116.57 120.90 1jxv h LYS 26 Ca 0.16 -0.09 -0.12 0.00 -1.27 0.00 0.00 60.65 59.33 1jxv h LYS 26 Cb 0.07 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.84 1jxv h LYS 26 CO -0.02 0.47 -0.28 0.00 -2.27 0.00 0.00 179.45 177.35 1jxv h ARG 27 N 0.32 0.76 0.03 1.90 2.47 -1.19 -0.16 114.38 118.51 1jxv h ARG 27 Ca 0.06 -0.33 -0.23 0.00 -1.26 0.00 0.00 59.98 58.22 1jxv h ARG 27 Cb 0.43 -0.02 -0.00 0.00 -1.65 0.00 0.00 29.97 28.72 1jxv h ARG 27 CO 0.02 0.94 -1.00 0.74 0.56 0.00 0.00 179.97 181.24 1jxv h PHE 28 N 0.65 0.47 -0.06 3.04 0.04 -1.35 -2.88 116.94 116.84 1jxv h PHE 28 Ca 0.08 -0.28 -0.01 0.00 2.80 0.00 0.00 57.97 60.56 1jxv h PHE 28 Cb 0.80 -0.04 -0.00 0.00 2.20 0.00 0.00 35.95 38.90 1jxv h PHE 28 CO 0.04 1.13 -0.02 0.93 -0.60 0.00 0.00 178.31 179.79 1jxv h GLU 29 N 0.15 0.12 0.00 1.51 5.08 -1.01 -2.50 114.58 117.93 1jxv h GLU 29 Ca -0.08 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.23 1jxv h GLU 29 Cb 1.66 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.90 1jxv h GLU 29 CO 0.16 0.46 0.00 -0.56 -1.00 0.00 0.00 179.01 178.07 1jxv h GLN 30 N -0.22 0.00 -0.06 2.33 3.07 -1.10 -1.67 115.11 117.45 1jxv h GLN 30 Ca 0.02 0.00 -0.17 0.00 0.09 0.00 0.00 58.65 58.59 1jxv h GLN 30 Cb 0.41 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.97 1jxv h GLN 30 CO 0.01 0.00 -0.69 -0.22 0.09 0.00 0.00 178.83 178.01 1jxv h LYS 31 N 0.00 0.29 0.00 0.06 1.63 -1.43 -3.47 116.57 113.65 1jxv h LYS 31 Ca 0.00 -0.23 0.00 0.00 -0.85 0.00 0.00 60.65 59.57 1jxv h LYS 31 Cb 0.50 0.05 0.00 0.00 -0.60 0.00 0.00 32.23 32.18 1jxv h LYS 31 CO 0.00 0.87 0.00 0.41 -3.45 0.00 0.00 179.45 177.28 1jxv n GLY 32 N 0.47 1.08 3.84 5.01 0.00 -0.63 -5.11 105.19 109.85 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 -2.00 3.39 -0.20 1.61 0.08 -0.96 -5.00 117.98 114.89 1jxv s PHE 33 Ca 0.00 1.43 -0.06 0.00 0.12 0.00 0.00 56.93 58.42 1jxv s PHE 33 Cb 0.00 -2.82 -0.03 0.00 -0.57 0.00 0.00 43.02 39.60 1jxv s PHE 33 CO 0.00 -0.64 0.04 0.50 -0.10 0.00 0.00 175.22 175.02 1jxv s ARG 34 N -4.40 3.76 -0.10 0.44 3.52 -0.53 -4.55 118.95 117.09 1jxv s ARG 34 Ca 0.59 -0.45 -0.30 0.00 -0.13 0.00 0.00 55.73 55.45 1jxv s ARG 34 Cb -0.12 -3.17 -0.03 0.00 -1.56 0.00 0.00 34.95 30.07 1jxv s ARG 34 CO 0.39 0.08 1.40 -1.17 -0.81 0.00 0.00 175.30 175.19 1jxv s LEU 35 N 0.86 4.25 -0.00 -0.88 2.96 -1.26 -1.00 118.68 123.61 1jxv s LEU 35 Ca 0.02 1.92 0.05 0.00 -0.22 0.00 0.00 54.13 55.90 1jxv s LEU 35 Cb -0.14 -3.54 -0.07 0.00 0.50 0.00 0.00 46.19 42.94 1jxv s LEU 35 CO 0.02 -0.80 0.15 0.55 -1.32 0.00 0.00 176.35 174.96 1jxv n VAL 36 N 5.28 0.00 -3.73 1.68 3.14 -0.01 -4.91 118.33 119.78 1jxv n VAL 36 Ca 0.15 -0.21 -0.12 0.00 -2.96 0.00 0.00 64.34 61.19 1jxv n VAL 36 Cb 0.44 0.60 -0.11 0.00 -1.06 0.00 0.00 33.84 33.72 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 -2.20 -0.28 -0.18 7.55 0.00 -0.96 -0.43 107.32 110.82 1jxv s GLY 37 Ca -0.01 1.18 -0.13 0.00 0.00 0.00 0.00 44.72 45.76 1jxv s GLY 37 CO 0.21 1.14 0.45 -2.27 0.00 0.00 0.00 173.10 172.63 1jxv s LEU 38 N 0.59 0.01 -0.29 0.66 2.96 -1.26 -0.95 118.68 120.40 1jxv s LEU 38 Ca -0.03 0.95 -0.16 0.00 -0.22 0.00 0.00 54.13 54.67 1jxv s LEU 38 Cb -0.05 1.52 0.13 0.00 0.50 0.00 0.00 46.19 48.30 1jxv s LEU 38 CO -0.04 -0.18 0.91 -0.75 -1.32 0.00 0.00 176.35 174.97 1jxv s LYS 39 N 0.88 0.45 -0.19 1.98 2.20 -0.77 -5.01 119.74 119.27 1jxv s LYS 39 Ca -0.05 0.81 -0.01 0.00 -0.36 0.00 0.00 55.97 56.35 1jxv s LYS 39 Cb -0.06 0.14 0.00 0.00 -1.51 0.00 0.00 37.83 36.41 1jxv s LYS 39 CO -0.07 -0.10 -0.11 0.12 -0.36 0.00 0.00 175.35 174.83 1jxv s PHE 40 N 1.54 2.87 0.19 4.03 5.36 -1.26 -0.33 117.98 130.38 1jxv s PHE 40 Ca -0.09 -1.13 -0.11 0.00 -0.96 0.00 0.00 56.93 54.65 1jxv s PHE 40 Cb -0.04 -1.99 -0.00 0.00 -0.34 0.00 0.00 43.02 40.64 1jxv s PHE 40 CO -0.16 -0.58 0.35 0.00 -1.46 0.00 0.00 175.22 173.37 1jxv s MET 41 N 1.22 1.27 -0.38 10.12 0.23 -0.51 -4.99 119.30 126.26 1jxv s MET 41 Ca 0.02 -1.16 -0.12 0.00 -1.03 0.00 0.00 55.69 53.40 1jxv s MET 41 Cb -0.14 0.41 0.02 0.00 -1.53 0.00 0.00 34.83 33.59 1jxv s MET 41 CO -0.05 -0.49 0.24 -1.14 -2.03 0.00 0.00 175.02 171.55 1jxv s GLN 42 N -3.97 3.01 0.16 3.16 0.74 -1.26 0.18 119.66 121.67 1jxv s GLN 42 Ca 0.18 -0.97 -0.31 0.00 0.05 0.00 0.00 55.36 54.30 1jxv s GLN 42 Cb 0.02 -3.81 -0.10 0.00 1.10 0.00 0.00 33.01 30.22 1jxv s GLN 42 CO 0.02 -0.66 1.53 0.00 -0.55 0.00 0.00 175.29 175.63 1jxv s ALA 43 N 1.62 3.74 0.57 1.58 0.00 -1.26 -5.00 121.76 123.02 1jxv s ALA 43 Ca 0.04 1.32 -0.17 0.00 0.00 0.00 0.00 51.96 53.15 1jxv s ALA 43 Cb -0.19 -3.61 -0.04 0.00 0.00 0.00 0.00 23.12 19.28 1jxv s ALA 43 CO 0.08 -0.75 1.07 -1.54 0.00 0.00 0.00 175.76 174.62 1jxv s SER 44 N 1.11 5.80 0.46 0.00 1.04 -1.26 -4.56 113.70 116.29 1jxv s SER 44 Ca 0.69 1.91 0.12 0.00 0.48 0.00 0.00 55.95 59.14 1jxv s SER 44 Cb -0.42 -2.55 1.05 0.00 0.10 0.00 0.00 66.02 64.20 1jxv s SER 44 CO 0.31 -1.16 2.09 -0.33 0.98 0.00 0.00 173.24 175.13 1jxv h GLU 45 N 0.71 0.25 0.23 4.02 5.08 -1.94 0.16 114.58 123.08 1jxv h GLU 45 Ca -0.48 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 57.85 1jxv h GLU 45 Cb 1.23 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.43 1jxv h GLU 45 CO 0.57 0.19 -0.11 -0.44 -1.00 0.00 0.00 179.01 178.22 1jxv h ASP 46 N 0.25 -0.26 -0.89 1.42 3.32 -1.99 0.20 116.42 118.48 1jxv h ASP 46 Ca 0.07 -0.17 0.07 0.00 0.02 0.00 0.00 57.03 57.02 1jxv h ASP 46 Cb 0.02 0.07 -0.07 0.00 0.22 0.00 0.00 39.33 39.57 1jxv h ASP 46 CO -0.01 0.03 0.55 0.25 -1.72 0.00 0.00 179.24 178.34 1jxv h LEU 47 N -0.55 0.85 -0.78 1.55 5.85 -1.74 -1.61 115.31 118.89 1jxv h LEU 47 Ca -0.03 0.02 -0.11 0.00 0.84 0.00 0.00 57.88 58.61 1jxv h LEU 47 Cb 0.41 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.27 1jxv h LEU 47 CO 0.05 0.53 -0.20 -0.07 -0.34 0.00 0.00 178.44 178.40 1jxv h LEU 48 N 0.98 0.71 -0.79 2.25 3.38 -0.46 -0.96 115.31 120.42 1jxv h LEU 48 Ca 0.40 -0.24 -0.07 0.00 0.09 0.00 0.00 57.88 58.06 1jxv h LEU 48 Cb 0.23 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 1jxv h LEU 48 CO -0.19 0.90 0.16 0.11 0.09 0.00 0.00 178.44 179.51 1jxv h LYS 49 N 0.62 1.08 -0.28 1.13 1.57 0.12 0.52 116.57 121.33 1jxv h LYS 49 Ca 0.09 -0.25 -0.15 0.00 -1.87 0.00 0.00 60.65 58.47 1jxv h LYS 49 Cb 0.68 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.84 1jxv h LYS 49 CO 0.05 0.95 -0.44 1.49 -0.57 0.00 0.00 179.45 180.94 1jxv h GLU 50 N 1.02 0.71 -0.32 3.15 4.22 -1.01 -2.85 114.58 119.50 1jxv h GLU 50 Ca 0.21 -0.39 -0.03 0.00 0.08 0.00 0.00 59.36 59.24 1jxv h GLU 50 Cb 0.36 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 1jxv h GLU 50 CO 0.00 1.00 0.09 1.25 -2.18 0.00 0.00 179.01 179.17 1jxv h HIS 51 N 0.57 0.53 -1.49 0.92 2.76 -0.81 -3.16 115.15 114.47 1jxv h HIS 51 Ca 0.04 -0.06 -0.71 0.00 -2.20 0.00 0.00 60.37 57.44 1jxv h HIS 51 Cb 0.98 -0.15 -0.27 0.00 1.55 0.00 0.00 27.41 29.52 1jxv h HIS 51 CO 0.05 0.54 0.94 0.66 -1.30 0.00 0.00 177.93 178.82 1jxv n TYR 52 N -4.66 3.00 0.11 5.26 4.01 0.14 -4.69 117.16 120.33 1jxv n TYR 52 Ca -0.02 -2.61 -0.03 0.00 -0.16 0.00 0.00 57.90 55.09 1jxv n TYR 52 Cb 0.18 -1.31 0.02 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 1.54 1.41 0.00 -0.72 3.04 -1.47 -2.74 116.25 117.31 1jxv h VAL 53 Ca 0.57 -2.70 0.00 0.00 -1.01 0.00 0.00 66.70 63.57 1jxv h VAL 53 Cb 0.41 2.51 0.00 0.00 -2.01 0.00 0.00 31.29 32.20 1jxv h VAL 53 CO 1.47 0.74 0.00 0.47 -1.01 0.00 0.00 177.57 179.24 1jxv n ASP 54 N -3.45 0.00 -0.06 3.17 10.43 -1.26 -1.56 116.55 123.82 1jxv n ASP 54 Ca 0.00 0.23 0.07 0.00 2.57 0.00 0.00 54.79 57.67 1jxv n ASP 54 Cb 0.78 -0.37 0.10 0.00 1.84 0.00 0.00 41.12 43.48 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 -1.37 2.23 -0.05 0.64 4.77 -1.04 -4.77 117.00 117.41 1jxv n LEU 55 Ca 0.06 -2.78 0.11 0.00 -0.03 0.00 0.00 56.01 53.36 1jxv n LEU 55 Cb 0.14 -0.31 0.50 0.00 -2.33 0.00 0.00 43.42 41.41 1jxv n LEU 55 CO 0.12 0.65 1.18 0.50 -1.33 0.00 0.00 177.39 178.51 1jxv h LYS 56 N 0.00 0.39 -0.00 3.23 3.64 -1.24 -2.71 116.57 119.87 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 0.88 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.61 1jxv h LYS 56 CO 0.00 0.26 -0.75 -0.25 -2.27 0.00 0.00 179.45 176.44 1jxv n ASP 57 N -4.47 1.09 -4.75 4.20 10.43 -1.26 -4.92 116.55 116.87 1jxv n ASP 57 Ca 0.08 -1.04 -0.32 0.00 2.57 0.00 0.00 54.79 56.08 1jxv n ASP 57 Cb 0.31 0.87 0.09 0.00 1.84 0.00 0.00 41.12 44.23 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 -2.59 2.21 -0.03 -1.24 1.81 -1.02 -4.99 118.95 113.10 1jxv s ARG 58 Ca 0.09 1.35 -0.20 0.00 -1.72 0.00 0.00 55.73 55.26 1jxv s ARG 58 Cb 0.14 -1.88 -0.33 0.00 -0.45 0.00 0.00 34.95 32.44 1jxv s ARG 58 CO 0.68 -1.70 0.91 -1.00 -0.68 0.00 0.00 175.30 173.51 1jxv h PRO 59 N -0.82 0.37 0.00 3.54 0.13 -1.91 -3.25 132.00 130.06 1jxv h PRO 59 Ca -0.45 -0.63 0.00 0.00 -0.87 0.00 0.00 66.00 64.05 1jxv h PRO 59 Cb 1.25 0.24 0.00 0.00 0.13 0.00 0.00 31.00 32.61 1jxv h PRO 59 CO 0.50 1.30 0.00 1.97 -0.23 0.00 0.00 178.00 181.55 1jxv n PHE 60 N -4.00 0.67 -0.34 1.56 1.16 -1.26 -3.45 117.46 111.79 1jxv n PHE 60 Ca -0.15 0.32 0.04 0.00 -1.87 0.00 0.00 57.45 55.79 1jxv n PHE 60 Cb 0.91 -1.01 0.11 0.00 -1.61 0.00 0.00 39.48 37.88 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 -0.61 -0.45 2.97 3.57 -1.78 -0.12 116.94 120.52 1jxv h PHE 61 Ca 0.00 0.09 0.07 0.00 3.53 0.00 0.00 57.97 61.66 1jxv h PHE 61 Cb 0.11 0.41 -0.06 0.00 2.79 0.00 0.00 35.95 39.20 1jxv h PHE 61 CO 0.00 -0.40 0.12 0.00 -2.23 0.00 0.00 178.31 175.80 1jxv h ALA 62 N 1.82 0.52 -0.53 2.41 0.00 -1.83 -1.25 119.26 120.39 1jxv h ALA 62 Ca 0.43 0.08 -0.12 0.00 0.00 0.00 0.00 54.91 55.30 1jxv h ALA 62 Cb 0.67 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 1jxv h ALA 62 CO -0.96 -0.28 -0.12 0.78 0.00 0.00 0.00 179.25 178.67 1jxv h GLY 63 N 0.27 1.11 0.60 0.00 0.00 -1.46 -1.93 103.07 101.66 1jxv h GLY 63 Ca 0.22 -0.91 0.04 0.00 0.00 0.00 0.00 47.33 46.68 1jxv h GLY 63 CO -0.26 0.83 -0.08 -2.00 0.00 0.00 0.00 176.54 175.02 1jxv h LEU 64 N 0.90 -0.28 -1.00 3.11 6.46 -0.44 0.65 115.31 124.71 1jxv h LEU 64 Ca 0.14 0.06 -0.08 0.00 -0.12 0.00 0.00 57.88 57.88 1jxv h LEU 64 Cb 0.70 0.15 -0.02 0.00 -0.73 0.00 0.00 40.66 40.76 1jxv h LEU 64 CO 0.05 -0.11 -0.16 0.58 -0.62 0.00 0.00 178.44 178.18 1jxv h VAL 65 N -0.08 1.24 -0.57 1.05 2.07 -1.20 -1.39 116.25 117.38 1jxv h VAL 65 Ca 0.08 -1.12 -0.08 0.00 0.82 0.00 0.00 66.70 66.40 1jxv h VAL 65 Cb 0.21 1.19 -0.02 0.00 -1.52 0.00 0.00 31.29 31.15 1jxv h VAL 65 CO -0.19 0.36 0.02 0.50 0.02 0.00 0.00 177.57 178.29 1jxv h LYS 66 N 0.48 0.99 -0.03 1.57 1.63 -0.76 -2.59 116.57 117.85 1jxv h LYS 66 Ca 0.08 -0.30 -0.03 0.00 -0.85 0.00 0.00 60.65 59.55 1jxv h LYS 66 Cb 0.56 -0.10 0.00 0.00 -0.60 0.00 0.00 32.23 32.10 1jxv h LYS 66 CO 0.04 0.97 -0.11 -0.92 -3.45 0.00 0.00 179.45 175.98 1jxv h TYR 67 N 0.87 0.18 0.00 1.91 3.20 -0.61 -2.50 116.97 120.02 1jxv h TYR 67 Ca 0.16 -0.07 0.00 0.00 3.14 0.00 0.00 58.73 61.96 1jxv h TYR 67 Cb 0.51 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 38.75 1jxv h TYR 67 CO 0.04 0.73 0.00 -1.33 -1.64 0.00 0.00 178.16 175.96 1jxv n MET 68 N -4.66 0.00 -0.00 1.82 2.81 -0.55 -1.21 117.12 115.34 1jxv n MET 68 Ca -0.08 0.39 0.10 0.00 -1.81 0.00 0.00 57.70 56.30 1jxv n MET 68 Cb 0.38 -1.50 -0.12 0.00 -0.71 0.00 0.00 33.22 31.26 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 -1.51 0.00 0.60 2.03 -0.00 -0.98 -4.51 115.22 110.86 1jxv n HIS 69 Ca 0.02 0.00 0.07 0.00 -0.00 0.00 0.00 57.72 57.81 1jxv n HIS 69 Cb 0.08 -0.10 0.35 0.00 -0.00 0.00 0.00 29.99 30.31 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 -1.65 0.00 -3.59 0.26 3.41 -0.35 -4.82 113.62 106.88 1jxv n SER 70 Ca 0.02 0.34 -0.01 0.00 -0.26 0.00 0.00 58.87 58.96 1jxv n SER 70 Cb 0.38 -0.42 0.00 0.00 -0.26 0.00 0.00 64.21 63.91 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 -2.84 -0.13 0.46 5.00 0.00 -1.26 -5.10 107.32 103.45 1jxv s GLY 71 Ca 0.10 0.07 -0.21 0.00 0.00 0.00 0.00 44.72 44.68 1jxv s GLY 71 CO 0.26 1.80 1.04 2.56 0.00 0.00 0.00 173.10 178.75 1jxv s PRO 72 N -2.48 3.93 0.18 2.90 0.04 -1.26 -4.61 135.00 133.71 1jxv s PRO 72 Ca 0.19 1.39 0.11 0.00 0.04 0.00 0.00 61.00 62.73 1jxv s PRO 72 Cb -0.00 -2.23 -0.04 0.00 0.04 0.00 0.00 34.50 32.26 1jxv s PRO 72 CO 0.01 -0.32 -0.24 0.14 0.04 0.00 0.00 177.00 176.63 1jxv s VAL 73 N -1.89 2.32 -0.42 -0.36 -7.23 0.13 -3.76 120.40 109.18 1jxv s VAL 73 Ca 0.64 -1.98 -0.15 0.00 -1.81 0.00 0.00 61.98 58.68 1jxv s VAL 73 Cb -0.18 -2.09 0.03 0.00 0.56 0.00 0.00 36.38 34.70 1jxv s VAL 73 CO 0.22 -0.08 0.32 -0.69 -0.31 0.00 0.00 175.10 174.56 1jxv s VAL 74 N -1.56 5.25 -0.10 1.32 1.01 -0.78 -1.43 120.40 124.11 1jxv s VAL 74 Ca 0.19 -0.71 -0.19 0.00 0.00 0.00 0.00 61.98 61.27 1jxv s VAL 74 Cb -0.08 -3.97 -0.04 0.00 0.00 0.00 0.00 36.38 32.29 1jxv s VAL 74 CO 0.09 -0.36 0.52 0.00 0.00 0.00 0.00 175.10 175.35 1jxv s ALA 75 N 1.70 3.45 0.10 5.51 0.00 0.56 -0.69 121.76 132.38 1jxv s ALA 75 Ca 0.05 -0.12 0.05 0.00 0.00 0.00 0.00 51.96 51.94 1jxv s ALA 75 Cb -0.20 -2.71 -0.03 0.00 0.00 0.00 0.00 23.12 20.18 1jxv s ALA 75 CO 0.10 -0.01 -0.12 -1.64 0.00 0.00 0.00 175.76 174.09 1jxv s MET 76 N 0.60 0.90 -0.12 0.00 -1.94 0.14 -1.85 119.30 117.03 1jxv s MET 76 Ca 0.28 -1.14 0.02 0.00 -1.71 0.00 0.00 55.69 53.15 1jxv s MET 76 Cb -0.16 -0.73 0.01 0.00 2.01 0.00 0.00 34.83 35.96 1jxv s MET 76 CO 0.12 0.14 -0.18 0.08 -0.01 0.00 0.00 175.02 175.17 1jxv s VAL 77 N -2.06 1.68 0.15 -6.03 1.01 -0.12 -1.43 120.40 113.60 1jxv s VAL 77 Ca 0.05 -0.76 0.11 0.00 0.00 0.00 0.00 61.98 61.38 1jxv s VAL 77 Cb -0.05 -1.52 -0.04 0.00 0.00 0.00 0.00 36.38 34.77 1jxv s VAL 77 CO 0.02 0.48 -0.23 0.26 0.00 0.00 0.00 175.10 175.62 1jxv s TRP 78 N 0.90 2.38 -0.02 5.22 0.52 -0.65 -0.83 118.94 126.46 1jxv s TRP 78 Ca -0.07 -0.34 0.03 0.00 0.02 0.00 0.00 56.10 55.74 1jxv s TRP 78 Cb -0.15 -1.24 -0.00 0.00 -1.15 0.00 0.00 33.47 30.92 1jxv s TRP 78 CO -0.01 0.40 -0.10 -2.00 0.02 0.00 0.00 176.95 175.26 1jxv s GLU 79 N -2.29 0.93 0.00 4.98 2.12 -0.17 -0.77 118.70 123.50 1jxv s GLU 79 Ca 0.17 -0.36 0.00 0.00 0.36 0.00 0.00 54.97 55.14 1jxv s GLU 79 Cb -0.09 -0.88 0.00 0.00 0.26 0.00 0.00 34.13 33.41 1jxv s GLU 79 CO 0.09 0.19 0.00 0.41 -0.54 0.00 0.00 175.26 175.40 1jxv n GLY 80 N 3.00 1.07 3.68 -1.50 0.00 0.60 -1.45 105.19 110.58 1jxv n GLY 80 Ca -0.15 -1.11 -0.52 0.00 0.00 0.00 0.00 46.02 44.24 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 2.98 -2.92 0.99 0.00 -1.26 -1.98 117.00 114.81 1jxv n LEU 81 Ca 0.00 0.96 -0.21 0.00 0.00 0.00 0.00 56.01 56.77 1jxv n LEU 81 Cb 0.00 -1.28 0.01 0.00 0.00 0.00 0.00 43.42 42.15 1jxv n LEU 81 CO 0.00 -0.24 -0.08 0.59 0.00 0.00 0.00 177.39 177.66 1jxv n ASN 82 N 6.49 -5.11 0.24 1.96 3.02 -1.26 -4.86 115.26 115.74 1jxv n ASN 82 Ca 0.25 -0.19 0.09 0.00 -0.03 0.00 0.00 54.58 54.70 1jxv n ASN 82 Cb 0.23 -4.20 0.62 0.00 -0.61 0.00 0.00 39.78 35.82 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 -0.84 0.87 -0.04 2.41 3.04 -1.69 -1.03 116.25 118.97 1jxv h VAL 83 Ca -0.46 -0.54 -0.01 0.00 -1.01 0.00 0.00 66.70 64.68 1jxv h VAL 83 Cb 1.32 1.31 -0.00 0.00 -2.01 0.00 0.00 31.29 31.91 1jxv h VAL 83 CO 0.53 0.14 -0.01 0.58 -1.01 0.00 0.00 177.57 177.80 1jxv h VAL 84 N 0.00 1.30 -0.04 1.51 2.07 -1.85 0.46 116.25 119.69 1jxv h VAL 84 Ca -0.00 -0.91 -0.21 0.00 0.82 0.00 0.00 66.70 66.41 1jxv h VAL 84 Cb 0.30 1.83 0.01 0.00 -1.52 0.00 0.00 31.29 31.91 1jxv h VAL 84 CO 0.02 0.24 -0.78 0.11 0.02 0.00 0.00 177.57 177.18 1jxv h LYS 85 N -0.28 0.60 -0.53 1.57 6.56 -1.81 -2.61 116.57 120.08 1jxv h LYS 85 Ca 0.01 -0.59 -0.11 0.00 -1.06 0.00 0.00 60.65 58.90 1jxv h LYS 85 Cb 0.40 0.16 -0.02 0.00 -0.57 0.00 0.00 32.23 32.20 1jxv h LYS 85 CO 0.00 1.21 -0.10 1.15 -2.06 0.00 0.00 179.45 179.65 1jxv h THR 86 N 0.21 1.27 -0.87 -0.16 2.02 -1.21 -0.50 112.91 113.67 1jxv h THR 86 Ca -0.09 -1.25 0.07 0.00 0.77 0.00 0.00 66.41 65.91 1jxv h THR 86 Cb 1.45 0.99 -0.07 0.00 -1.74 0.00 0.00 68.15 68.79 1jxv h THR 86 CO 0.16 0.44 0.53 1.23 0.37 0.00 0.00 175.52 178.25 1jxv h GLY 87 N 0.87 1.33 1.00 2.16 0.00 -0.11 0.13 103.07 108.45 1jxv h GLY 87 Ca 0.14 -0.38 -0.06 0.00 0.00 0.00 0.00 47.33 47.02 1jxv h GLY 87 CO 0.05 0.23 0.07 3.21 0.00 0.00 0.00 176.54 180.10 1jxv h ARG 88 N 0.94 0.87 -0.79 4.80 3.08 -1.02 -0.12 114.38 122.15 1jxv h ARG 88 Ca 0.39 -0.24 0.02 0.00 0.07 0.00 0.00 59.98 60.22 1jxv h ARG 88 Cb 0.24 -0.10 -0.04 0.00 0.08 0.00 0.00 29.97 30.15 1jxv h ARG 88 CO -0.20 0.86 0.52 0.28 -1.07 0.00 0.00 179.97 180.37 1jxv h VAL 89 N 0.75 1.17 -0.19 2.04 2.07 -0.52 -0.64 116.25 120.93 1jxv h VAL 89 Ca 0.16 -0.35 -0.17 0.00 0.82 0.00 0.00 66.70 67.15 1jxv h VAL 89 Cb 0.42 0.05 -0.00 0.00 -1.52 0.00 0.00 31.29 30.24 1jxv h VAL 89 CO 0.01 0.19 -0.58 0.24 0.02 0.00 0.00 177.57 177.45 1jxv h MET 90 N 1.03 0.61 -0.49 1.57 2.86 -0.12 -2.70 114.93 117.69 1jxv h MET 90 Ca 0.30 -0.41 -0.09 0.00 -2.06 0.00 0.00 59.70 57.45 1jxv h MET 90 Cb -0.06 0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.63 1jxv h MET 90 CO -0.07 1.02 -0.04 -0.07 1.06 0.00 0.00 176.91 178.80 1jxv h LEU 91 N 0.46 0.83 0.00 1.22 3.38 -0.77 -1.61 115.31 118.83 1jxv h LEU 91 Ca 0.00 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.74 1jxv h LEU 91 Cb 1.15 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.67 1jxv h LEU 91 CO 0.11 0.92 0.00 0.61 0.09 0.00 0.00 178.44 180.18 1jxv n GLY 92 N -0.51 -0.28 3.68 0.83 0.00 -0.27 -1.22 105.19 107.41 1jxv n GLY 92 Ca 0.02 -1.83 -0.41 0.00 0.00 0.00 0.00 46.02 43.80 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 -0.32 1.74 -0.18 1.61 4.71 -1.26 -4.86 120.64 122.08 1jxv n GLU 93 Ca 0.00 0.62 0.08 0.00 -0.01 0.00 0.00 57.16 57.85 1jxv n GLU 93 Cb 0.00 -2.30 0.38 0.00 -1.01 0.00 0.00 31.44 28.51 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 0.98 -3.56 2.62 2.02 -1.95 -3.34 112.91 111.56 1jxv h THR 94 Ca -0.47 -0.24 -0.63 0.00 0.77 0.00 0.00 66.41 65.84 1jxv h THR 94 Cb 1.31 0.22 -0.13 0.00 -1.74 0.00 0.00 68.15 67.81 1jxv h THR 94 CO 0.59 0.13 0.22 0.21 0.37 0.00 0.00 175.52 177.04 1jxv s ASN 95 N -6.17 6.45 0.65 4.18 2.47 -1.26 -4.80 114.94 116.46 1jxv s ASN 95 Ca -0.09 0.13 0.28 0.00 0.42 0.00 0.00 52.86 53.60 1jxv s ASN 95 Cb 0.20 -2.35 1.53 0.00 -1.45 0.00 0.00 41.25 39.18 1jxv s ASN 95 CO 0.77 -0.68 1.87 -0.65 -3.72 0.00 0.00 177.10 174.69 1jxv h PRO 96 N 8.56 0.00 0.00 0.43 0.11 -1.79 0.16 132.00 139.47 1jxv h PRO 96 Ca -0.26 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.79 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 0.87 0.00 -0.31 0.00 -0.21 0.00 0.00 178.00 178.36 1jxv h ALA 97 N 1.29 1.01 -0.03 -0.75 0.00 -1.89 -2.17 119.26 116.72 1jxv h ALA 97 Ca 0.03 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1jxv h ALA 97 Cb 0.81 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1jxv h ALA 97 CO -0.00 0.39 -0.01 -0.25 0.00 0.00 0.00 179.25 179.37 1jxv n ASP 98 N -3.47 2.94 -4.74 0.00 8.00 0.55 -4.96 116.55 114.87 1jxv n ASP 98 Ca -0.00 -1.98 -0.41 0.00 0.71 0.00 0.00 54.79 53.12 1jxv n ASP 98 Cb 0.47 0.01 -0.05 0.00 -0.02 0.00 0.00 41.12 41.54 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 -2.01 7.42 0.19 -2.24 0.01 -0.82 -4.60 113.70 111.66 1jxv s SER 99 Ca 0.28 1.97 -0.13 0.00 1.31 0.00 0.00 55.95 59.38 1jxv s SER 99 Cb 0.20 -2.60 -0.07 0.00 0.21 0.00 0.00 66.02 63.76 1jxv s SER 99 CO 0.31 -0.08 0.57 -0.54 0.41 0.00 0.00 173.24 173.91 1jxv s LYS 100 N -0.50 3.93 0.38 12.44 -0.14 -1.26 -4.60 119.74 130.00 1jxv s LYS 100 Ca 0.46 0.45 -0.26 0.00 -1.36 0.00 0.00 55.97 55.27 1jxv s LYS 100 Cb -0.27 -2.80 -0.11 0.00 -1.68 0.00 0.00 37.83 32.97 1jxv s LYS 100 CO 0.33 0.40 1.05 -2.30 -0.76 0.00 0.00 175.35 174.07 1jxv n PRO 101 N 0.40 1.46 0.00 -1.68 -0.02 -1.26 -2.26 135.00 131.64 1jxv n PRO 101 Ca -0.03 0.52 0.00 0.00 -2.02 0.00 0.00 63.50 61.97 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 1.13 2.69 3.93 -1.23 0.00 -1.26 -4.97 105.19 105.48 1jxv n GLY 102 Ca 0.09 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.66 3.50 0.04 2.61 -4.23 -0.96 -4.92 115.64 109.03 1jxv s THR 103 Ca 0.00 -0.24 -0.24 0.00 -1.18 0.00 0.00 61.69 60.03 1jxv s THR 103 Cb 0.00 -3.36 -0.16 0.00 1.34 0.00 0.00 72.50 70.32 1jxv s THR 103 CO 0.00 -0.33 1.51 0.40 -0.54 0.00 0.00 174.62 175.66 1jxv h ILE 104 N -0.02 1.20 0.00 2.99 2.04 -1.30 0.37 117.51 122.78 1jxv h ILE 104 Ca -0.45 -0.61 -0.11 0.00 1.00 0.00 0.00 64.86 64.69 1jxv h ILE 104 Cb 1.27 1.54 -0.02 0.00 -0.74 0.00 0.00 36.82 38.87 1jxv h ILE 104 CO 0.59 0.17 -0.51 0.03 0.00 0.00 0.00 178.15 178.42 1jxv h ARG 105 N -0.17 0.00 -0.37 2.37 3.08 -1.43 -1.56 114.38 116.31 1jxv h ARG 105 Ca 0.01 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 59.96 1jxv h ARG 105 Cb 0.26 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.30 1jxv h ARG 105 CO 0.00 0.51 -0.17 0.78 -1.07 0.00 0.00 179.97 180.02 1jxv h GLY 106 N 2.19 0.83 1.57 0.04 0.00 -1.67 -2.41 103.07 103.62 1jxv h GLY 106 Ca -0.01 -0.74 -0.25 0.00 0.00 0.00 0.00 47.33 46.34 1jxv h GLY 106 CO 0.07 0.67 -1.06 -0.55 0.00 0.00 0.00 176.54 175.66 1jxv h ASP 107 N 0.55 0.50 -0.00 0.19 3.32 -0.75 -3.42 116.42 116.82 1jxv h ASP 107 Ca 0.08 -0.45 0.00 0.00 0.02 0.00 0.00 57.03 56.68 1jxv h ASP 107 Cb 0.71 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.11 1jxv h ASP 107 CO 0.05 1.28 -0.14 0.49 -1.72 0.00 0.00 179.24 179.20 1jxv n PHE 108 N -3.67 0.00 -3.97 4.55 3.72 -0.60 -5.07 117.46 112.42 1jxv n PHE 108 Ca -0.08 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.22 1jxv n PHE 108 Cb 0.91 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.42 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 -4.96 0.00 5.41 -1.26 -4.73 119.36 113.36 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 -0.93 -0.14 0.00 -0.71 0.00 0.00 39.64 38.46 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 -1.92 2.03 0.54 0.38 0.74 -1.26 -4.10 119.66 116.07 1jxv s GLN 111 Ca 0.00 -0.99 0.29 0.00 0.05 0.00 0.00 55.36 54.72 1jxv s GLN 111 Cb 0.00 -2.09 1.54 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 4.25 0.48 0.00 1.34 3.04 -1.95 -0.55 116.25 122.86 1jxv h VAL 112 Ca -0.46 -0.46 0.00 0.00 -1.01 0.00 0.00 66.70 64.77 1jxv h VAL 112 Cb 1.14 1.31 0.00 0.00 -2.01 0.00 0.00 31.29 31.73 1jxv h VAL 112 CO 0.46 0.09 -0.01 1.23 -1.01 0.00 0.00 177.57 178.33 1jxv h GLY 113 N 0.83 0.00 -6.00 3.17 0.00 -1.95 -3.30 103.07 95.82 1jxv h GLY 113 Ca -0.00 0.00 -0.58 0.00 0.00 0.00 0.00 47.33 46.74 1jxv h GLY 113 CO 0.01 0.00 -0.73 0.54 0.00 0.00 0.00 176.54 176.36 1jxv n ARG 114 N -3.01 2.21 -0.75 4.80 5.12 -0.22 -4.94 116.66 119.87 1jxv n ARG 114 Ca 0.04 -4.35 -0.02 0.00 -1.93 0.00 0.00 57.85 51.59 1jxv n ARG 114 Cb 0.52 -2.02 0.23 0.00 -1.16 0.00 0.00 32.46 30.03 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 0.75 3.42 0.00 0.55 6.94 -1.16 -4.29 115.26 121.47 1jxv n ASN 115 Ca 0.28 -3.42 0.00 0.00 -0.02 0.00 0.00 54.58 51.42 1jxv n ASN 115 Cb 0.44 -0.64 0.00 0.00 -2.36 0.00 0.00 39.78 37.23 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 -0.78 0.00 -3.53 1.53 0.13 -1.26 -4.77 119.36 110.67 1jxv n ILE 116 Ca 0.33 0.00 -0.15 0.00 -1.10 0.00 0.00 62.75 61.83 1jxv n ILE 116 Cb 1.10 0.00 -0.05 0.00 -0.84 0.00 0.00 39.64 39.84 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 0.01 0.01 9.51 2.07 -1.26 -0.86 121.20 130.69 1jxv s ILE 117 Ca 0.00 -0.12 0.06 0.00 -1.41 0.00 0.00 60.65 59.18 1jxv s ILE 117 Cb 0.00 -0.97 -0.02 0.00 0.13 0.00 0.00 42.46 41.60 1jxv s ILE 117 CO 0.00 -0.07 -0.19 -2.28 -1.91 0.00 0.00 174.94 170.50 1jxv s HIS 118 N -2.17 1.68 0.02 3.50 5.65 0.14 -4.89 115.29 119.22 1jxv s HIS 118 Ca -0.07 -0.34 0.02 0.00 0.25 0.00 0.00 55.06 54.92 1jxv s HIS 118 Cb -0.01 -1.04 -0.01 0.00 -1.18 0.00 0.00 32.58 30.34 1jxv s HIS 118 CO 0.01 0.02 -0.06 0.20 -0.65 0.00 0.00 174.74 174.26 1jxv s GLY 119 N -0.78 0.34 0.29 1.59 0.00 -1.26 -0.83 107.32 106.66 1jxv s GLY 119 Ca 0.07 -0.45 -0.30 0.00 0.00 0.00 0.00 44.72 44.04 1jxv s GLY 119 CO 0.00 -0.46 1.33 1.44 0.00 0.00 0.00 173.10 175.41 1jxv n SER 120 N 2.28 2.65 0.02 1.64 7.64 -0.62 -4.91 113.62 122.33 1jxv n SER 120 Ca -0.17 1.17 0.11 0.00 1.01 0.00 0.00 58.87 60.99 1jxv n SER 120 Cb 0.57 -1.44 0.08 0.00 -1.01 0.00 0.00 64.21 62.40 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 1.47 0.63 -3.79 6.43 5.68 -1.26 -4.78 116.55 120.93 1jxv n ASP 121 Ca 0.08 -0.23 -0.10 0.00 -0.50 0.00 0.00 54.79 54.04 1jxv n ASP 121 Cb 0.34 0.62 -0.05 0.00 -1.14 0.00 0.00 41.12 40.88 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 -3.71 -0.10 0.41 -1.12 1.04 -1.26 -4.95 113.70 104.01 1jxv s SER 122 Ca 0.06 -0.57 0.09 0.00 0.48 0.00 0.00 55.95 56.01 1jxv s SER 122 Cb 0.15 0.47 0.88 0.00 0.10 0.00 0.00 66.02 67.62 1jxv s SER 122 CO 0.78 -0.89 2.02 0.58 0.98 0.00 0.00 173.24 176.70 1jxv h VAL 123 N 2.44 1.12 0.13 5.02 2.07 -1.93 0.25 116.25 125.34 1jxv h VAL 123 Ca -0.32 -0.38 -0.30 0.00 0.82 0.00 0.00 66.70 66.52 1jxv h VAL 123 Cb 1.24 0.83 0.03 0.00 -1.52 0.00 0.00 31.29 31.86 1jxv h VAL 123 CO 0.46 0.14 -1.26 1.05 0.02 0.00 0.00 177.57 177.99 1jxv h GLU 124 N 0.37 0.56 0.00 1.57 -0.00 -1.97 -2.14 114.58 112.97 1jxv h GLU 124 Ca 0.09 -0.78 -0.08 0.00 -0.00 0.00 0.00 59.36 58.60 1jxv h GLU 124 Cb 0.11 0.26 -0.01 0.00 -0.00 0.00 0.00 28.75 29.11 1jxv h GLU 124 CO -0.01 1.35 -0.36 0.66 -0.00 0.00 0.00 179.01 180.65 1jxv h SER 125 N 0.23 0.00 -0.09 3.06 4.64 -1.89 -2.06 113.55 117.45 1jxv h SER 125 Ca -0.18 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.13 1jxv h SER 125 Cb 1.93 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 64.02 1jxv h SER 125 CO 0.23 0.36 0.04 0.00 -0.87 0.00 0.00 176.83 176.60 1jxv h ALA 126 N 1.64 0.11 -0.42 5.18 0.00 -0.37 -0.49 119.26 124.91 1jxv h ALA 126 Ca -0.00 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 1jxv h ALA 126 Cb 0.91 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 1jxv h ALA 126 CO 0.05 -0.34 0.03 0.93 0.00 0.00 0.00 179.25 179.92 1jxv h GLU 127 N 0.03 0.66 0.04 0.00 4.39 -1.18 0.59 114.58 119.10 1jxv h GLU 127 Ca 0.03 -0.15 0.01 0.00 0.34 0.00 0.00 59.36 59.59 1jxv h GLU 127 Cb 0.10 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.65 1jxv h GLU 127 CO -0.00 0.65 -0.07 -0.22 -1.16 0.00 0.00 179.01 178.21 1jxv h LYS 128 N 0.63 -0.13 -0.09 2.33 1.63 -1.09 -2.56 116.57 117.28 1jxv h LYS 128 Ca 0.13 0.01 -0.22 0.00 -0.85 0.00 0.00 60.65 59.73 1jxv h LYS 128 Cb 0.34 0.03 0.01 0.00 -0.60 0.00 0.00 32.23 32.01 1jxv h LYS 128 CO 0.01 -0.09 -0.82 0.93 -3.45 0.00 0.00 179.45 176.03 1jxv h GLU 129 N -0.14 0.61 -0.79 1.90 5.08 -0.55 0.15 114.58 120.84 1jxv h GLU 129 Ca 0.01 -0.54 0.01 0.00 -1.00 0.00 0.00 59.36 57.84 1jxv h GLU 129 Cb 0.15 0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.48 1jxv h GLU 129 CO -0.04 1.16 0.52 0.82 -1.00 0.00 0.00 179.01 180.46 1jxv h ILE 130 N 0.40 1.21 -0.13 3.13 2.04 -0.96 -0.26 117.51 122.94 1jxv h ILE 130 Ca -0.06 -0.39 -0.14 0.00 1.00 0.00 0.00 64.86 65.27 1jxv h ILE 130 Cb 1.44 0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 37.56 1jxv h ILE 130 CO 0.16 0.20 -0.53 1.23 0.00 0.00 0.00 178.15 179.21 1jxv h GLY 131 N 1.07 0.38 1.66 5.37 0.00 -1.22 0.05 103.07 110.39 1jxv h GLY 131 Ca 0.29 -0.43 -0.15 0.00 0.00 0.00 0.00 47.33 47.03 1jxv h GLY 131 CO -0.06 0.39 -0.59 -2.00 0.00 0.00 0.00 176.54 174.28 1jxv h LEU 132 N 0.28 0.40 0.00 3.11 5.85 -0.56 -3.36 115.31 121.03 1jxv h LEU 132 Ca 0.01 -0.22 -0.09 0.00 0.84 0.00 0.00 57.88 58.42 1jxv h LEU 132 Cb 1.02 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.92 1jxv h LEU 132 CO 0.09 0.90 -1.93 0.79 -0.34 0.00 0.00 178.44 177.94 1jxv n TRP 133 N -3.90 0.00 -4.89 1.25 7.02 -0.15 -4.97 117.44 111.80 1jxv n TRP 133 Ca -0.03 0.00 -0.26 0.00 -1.02 0.00 0.00 57.50 56.19 1jxv n TRP 133 Cb 0.61 -0.54 -0.16 0.00 -2.42 0.00 0.00 31.31 28.81 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 -3.04 1.72 0.35 -5.99 0.40 -0.01 -5.08 117.98 106.34 1jxv s PHE 134 Ca -0.07 -0.41 -0.26 0.00 -0.60 0.00 0.00 56.93 55.58 1jxv s PHE 134 Cb 0.10 -1.14 -0.09 0.00 0.51 0.00 0.00 43.02 42.40 1jxv s PHE 134 CO 0.75 -0.10 1.07 -1.01 0.70 0.00 0.00 175.22 176.63 1jxv s HIS 135 N -0.21 3.40 0.52 0.36 3.76 -1.26 -4.55 115.29 117.30 1jxv s HIS 135 Ca 0.02 1.67 0.38 0.00 -0.15 0.00 0.00 55.06 56.98 1jxv s HIS 135 Cb -0.09 -3.19 2.02 0.00 1.11 0.00 0.00 32.58 32.43 1jxv s HIS 135 CO 0.01 -0.58 2.25 -1.00 -0.85 0.00 0.00 174.74 174.56 1jxv h PRO 136 N 3.02 0.00 -0.01 8.40 0.13 -1.95 0.12 132.00 141.72 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 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1jxv h PRO 136 CO 0.64 0.02 -0.06 -0.85 -0.23 0.00 0.00 178.00 177.52 1jxv n GLU 137 N -3.28 1.13 0.00 0.86 0.00 -1.26 -2.74 120.64 115.35 1jxv n GLU 137 Ca -0.02 -0.47 0.13 0.00 0.00 0.00 0.00 57.16 56.79 1jxv n GLU 137 Cb 0.14 -1.49 0.36 0.00 0.00 0.00 0.00 31.44 30.45 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 -0.52 0.52 -3.44 3.44 1.02 0.41 -4.81 120.64 117.27 1jxv n GLU 138 Ca 0.18 -0.29 -0.40 0.00 -0.02 0.00 0.00 57.16 56.63 1jxv n GLU 138 Cb 0.27 -1.49 -0.10 0.00 -0.02 0.00 0.00 31.44 30.10 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 -2.68 4.30 -0.17 -4.62 1.43 -1.11 -4.64 118.68 111.19 1jxv s LEU 139 Ca 0.20 -0.11 -0.13 0.00 -1.03 0.00 0.00 54.13 53.07 1jxv s LEU 139 Cb 0.19 -2.31 -0.05 0.00 0.03 0.00 0.00 46.19 44.05 1jxv s LEU 139 CO 0.58 -0.25 0.24 -0.69 0.23 0.00 0.00 176.35 176.45 1jxv s VAL 140 N 1.96 5.34 -0.19 -1.59 1.01 0.43 -5.02 120.40 122.34 1jxv s VAL 140 Ca 0.11 0.43 -0.06 0.00 0.00 0.00 0.00 61.98 62.46 1jxv s VAL 140 Cb -0.16 -3.58 -0.03 0.00 0.00 0.00 0.00 36.38 32.61 1jxv s VAL 140 CO 0.11 0.41 0.02 -1.81 0.00 0.00 0.00 175.10 173.83 1jxv s ASP 141 N 0.43 5.16 0.24 3.32 1.01 -1.26 -4.60 116.67 120.97 1jxv s ASP 141 Ca 0.14 -0.08 -0.17 0.00 0.71 0.00 0.00 52.55 53.15 1jxv s ASP 141 Cb -0.12 -1.88 0.01 0.00 1.01 0.00 0.00 42.92 41.94 1jxv s ASP 141 CO 0.02 0.12 0.57 -0.72 0.21 0.00 0.00 175.17 175.37 1jxv s TYR 142 N 0.69 0.03 -0.19 4.23 1.13 -1.26 -5.16 117.35 116.83 1jxv s TYR 142 Ca 0.01 -0.42 -0.06 0.00 -1.41 0.00 0.00 57.07 55.19 1jxv s TYR 142 Cb -0.14 0.42 -0.03 0.00 -1.10 0.00 0.00 41.96 41.11 1jxv s TYR 142 CO 0.02 -1.05 0.02 0.99 -2.51 0.00 0.00 175.55 173.02 1jxv s THR 143 N -3.94 4.28 0.33 -3.49 2.01 -1.26 -5.09 115.64 108.48 1jxv s THR 143 Ca 0.15 -0.21 -0.29 0.00 0.31 0.00 0.00 61.69 61.65 1jxv s THR 143 Cb -0.03 -2.92 -0.10 0.00 0.01 0.00 0.00 72.50 69.46 1jxv s THR 143 CO 0.05 0.45 1.32 -0.55 -0.69 0.00 0.00 174.62 175.20 1jxv s SER 144 N 0.64 6.74 0.58 3.53 0.15 -1.26 -4.89 113.70 119.18 1jxv s SER 144 Ca 0.01 2.71 0.39 0.00 0.70 0.00 0.00 55.95 59.76 1jxv s SER 144 Cb -0.14 -2.65 2.02 0.00 -1.71 0.00 0.00 66.02 63.55 1jxv s SER 144 CO 0.02 -0.57 2.18 0.00 1.20 0.00 0.00 173.24 176.07 1jxv n ALA 146 N -2.02 2.42 -0.30 0.00 0.00 -1.26 -4.64 120.51 114.71 1jxv n ALA 146 Ca -0.02 -0.94 0.04 0.00 0.00 0.00 0.00 53.44 52.51 1jxv n ALA 146 Cb 0.10 -0.84 0.18 0.00 0.00 0.00 0.00 19.45 18.89 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 4.45 0.79 0.00 0.00 4.15 -1.81 0.14 115.11 122.83 1jxv h GLN 147 Ca 0.00 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.37 1jxv h GLN 147 Cb 0.98 -0.18 0.00 0.00 0.21 0.00 0.00 27.48 28.49 1jxv h GLN 147 CO 0.00 0.52 0.00 0.09 -1.93 0.00 0.00 178.83 177.51 1jxv n ASN 148 N -4.73 0.14 -0.03 -0.69 3.02 -1.26 -0.84 115.26 110.87 1jxv n ASN 148 Ca 0.14 0.52 0.09 0.00 -0.03 0.00 0.00 54.58 55.31 1jxv n ASN 148 Cb 0.29 -0.56 -0.10 0.00 -0.61 0.00 0.00 39.78 38.80 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 -1.64 0.00 -0.08 3.10 7.02 0.39 -4.24 117.44 121.99 1jxv n TRP 149 Ca 0.05 0.00 -0.14 0.00 -1.02 0.00 0.00 57.50 56.39 1jxv n TRP 149 Cb 0.28 0.00 -0.14 0.00 -2.42 0.00 0.00 31.31 29.03 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 -1.37 1.52 -4.35 -0.99 5.41 -0.64 -4.99 119.36 113.95 1jxv n ILE 150 Ca 0.04 -0.72 -0.20 0.00 1.00 0.00 0.00 62.75 62.86 1jxv n ILE 150 Cb 0.30 -1.05 -0.13 0.00 -0.71 0.00 0.00 39.64 38.05 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 1.31 -2.00 1.39 2.02 -0.02 -5.10 117.35 112.42 1jxv s TYR 151 Ca -0.19 -0.38 0.21 0.00 -0.37 0.00 0.00 57.07 56.35 1jxv s TYR 151 Cb 0.07 -0.77 1.28 0.00 -0.40 0.00 0.00 41.96 42.15 1jxv s TYR 151 CO 0.74 0.05 1.66 0.39 -1.57 0.00 0.00 175.55 176.83