#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jex s LYS 5 N 0.00 4.31 -0.81 5.55 2.20 -1.26 -5.00 119.74 124.73 1jex s LYS 5 Ca 0.00 0.55 -0.21 0.00 -0.36 0.00 0.00 55.97 55.96 1jex s LYS 5 Cb 0.00 -3.40 0.10 0.00 -1.51 0.00 0.00 37.83 33.02 1jex s LYS 5 CO 0.00 0.23 1.06 0.71 -0.36 0.00 0.00 175.35 177.00 1jex s TYR 6 N 0.34 2.88 -0.19 4.03 2.02 -1.26 -4.42 117.35 120.75 1jex s TYR 6 Ca 0.28 -0.97 -0.08 0.00 -0.37 0.00 0.00 57.07 55.93 1jex s TYR 6 Cb -0.16 -4.31 -0.04 0.00 -0.40 0.00 0.00 41.96 37.05 1jex s TYR 6 CO 0.13 -1.58 0.07 1.52 -1.57 0.00 0.00 175.55 174.12 1jex s TYR 7 N 3.44 3.27 0.67 2.71 -0.85 -1.26 -4.25 117.35 121.08 1jex s TYR 7 Ca 0.28 0.10 -0.11 0.00 -0.52 0.00 0.00 57.07 56.82 1jex s TYR 7 Cb -0.10 -2.09 -0.01 0.00 0.38 0.00 0.00 41.96 40.13 1jex s TYR 7 CO -0.00 0.16 1.06 0.95 -1.52 0.00 0.00 175.55 176.20 1jex s THR 8 N 0.39 4.19 0.56 -3.49 -4.23 -1.26 -1.34 115.64 110.45 1jex s THR 8 Ca 0.04 0.71 0.50 0.00 -1.18 0.00 0.00 61.69 61.75 1jex s THR 8 Cb -0.12 -3.62 0.73 0.00 1.34 0.00 0.00 72.50 70.82 1jex s THR 8 CO -0.00 -0.93 1.57 -0.07 -0.54 0.00 0.00 174.62 174.65 1jex h LEU 9 N -0.54 0.00 -1.68 4.79 4.07 -1.95 2.16 115.31 122.17 1jex h LEU 9 Ca -0.44 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.52 1jex h LEU 9 Cb 1.21 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.95 1jex h LEU 9 CO 0.61 0.00 0.39 -0.08 -1.08 0.00 0.00 178.44 178.28 1jex h GLU 10 N 0.00 0.00 0.00 1.13 4.81 -1.97 1.79 114.58 120.34 1jex h GLU 10 Ca 0.92 0.00 -0.24 0.00 -0.13 0.00 0.00 59.36 59.91 1jex h GLU 10 Cb 3.73 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 33.08 1jex h GLU 10 CO -0.01 0.00 -1.80 -1.91 -0.73 0.00 0.00 179.01 174.56 1jex n GLU 11 N -2.75 0.56 0.26 1.92 2.13 0.73 -4.14 120.64 119.35 1jex n GLU 11 Ca -0.02 0.24 0.11 0.00 0.66 0.00 0.00 57.16 58.15 1jex n GLU 11 Cb 0.43 -1.46 0.73 0.00 0.27 0.00 0.00 31.44 31.40 1jex n GLU 11 CO 0.00 0.00 0.00 0.82 -0.41 0.00 0.00 177.13 177.54 1jex h ILE 12 N -1.00 0.84 -0.61 6.31 5.03 -1.35 -1.00 117.51 125.73 1jex h ILE 12 Ca -0.37 0.00 -0.02 0.00 -0.12 0.00 0.00 64.86 64.35 1jex h ILE 12 Cb 1.32 0.99 -0.03 0.00 -3.03 0.00 0.00 36.82 36.07 1jex h ILE 12 CO -0.22 0.00 0.30 1.56 -0.68 0.00 0.00 178.15 179.11 1jex h GLN 13 N 0.00 0.86 0.00 2.37 1.08 0.25 -0.08 115.11 119.60 1jex h GLN 13 Ca 0.01 -0.12 0.00 0.00 -1.45 0.00 0.00 58.65 57.09 1jex h GLN 13 Cb 0.04 -0.16 0.00 0.00 -0.05 0.00 0.00 27.48 27.31 1jex h GLN 13 CO -0.00 0.69 0.00 1.17 -0.95 0.00 0.00 178.83 179.74 1jex n LYS 14 N -4.53 0.17 -1.85 1.46 4.81 -0.41 -2.94 118.16 114.88 1jex n LYS 14 Ca 0.04 0.12 -0.35 0.00 -0.87 0.00 0.00 58.31 57.25 1jex n LYS 14 Cb 0.11 -1.50 0.04 0.00 0.02 0.00 0.00 35.03 33.71 1jex n LYS 14 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 1jex n HIS 15 N -1.38 3.10 -2.68 5.64 8.25 -0.04 -4.72 115.22 123.39 1jex n HIS 15 Ca 0.08 -2.65 -0.34 0.00 -0.26 0.00 0.00 57.72 54.55 1jex n HIS 15 Cb 0.19 -1.01 -0.00 0.00 1.12 0.00 0.00 29.99 30.29 1jex n HIS 15 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1jex n LYS 16 N -0.66 4.10 -3.79 -0.41 4.81 -1.08 -3.10 118.16 118.04 1jex n LYS 16 Ca 0.53 -4.63 -0.11 0.00 -0.87 0.00 0.00 58.31 53.24 1jex n LYS 16 Cb 0.50 -2.34 -0.08 0.00 0.02 0.00 0.00 35.03 33.14 1jex n LYS 16 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1jex s ASP 17 N -2.41 -0.06 0.28 3.14 1.11 0.19 -5.00 116.67 113.93 1jex s ASP 17 Ca 0.45 -0.28 0.00 0.00 0.18 0.00 0.00 52.55 52.91 1jex s ASP 17 Cb 0.27 0.34 0.65 0.00 1.07 0.00 0.00 42.92 45.25 1jex s ASP 17 CO -0.17 -0.61 1.66 0.77 1.18 0.00 0.00 175.17 178.00 1jex h SER 18 N 3.25 0.02 -0.89 0.27 4.64 -1.94 0.84 113.55 119.75 1jex h SER 18 Ca -0.32 0.18 0.05 0.00 -0.47 0.00 0.00 61.79 61.23 1jex h SER 18 Cb 1.20 0.24 -0.06 0.00 -0.31 0.00 0.00 62.40 63.47 1jex h SER 18 CO 0.47 -0.12 0.56 0.07 -0.87 0.00 0.00 176.83 176.95 1jex h LYS 19 N 0.24 1.04 -3.11 4.77 2.10 -1.96 -3.39 116.57 116.25 1jex h LYS 19 Ca 0.52 -0.06 -0.44 0.00 -2.00 0.00 0.00 60.65 58.67 1jex h LYS 19 Cb 1.01 -0.23 -0.41 0.00 -0.90 0.00 0.00 32.23 31.70 1jex h LYS 19 CO -0.62 0.68 -0.75 -1.12 -2.00 0.00 0.00 179.45 175.65 1jex s SER 20 N -5.86 2.06 -0.17 7.07 0.01 0.29 -4.91 113.70 112.19 1jex s SER 20 Ca -0.13 -0.45 -0.04 0.00 1.31 0.00 0.00 55.95 56.64 1jex s SER 20 Cb 0.18 -0.21 0.08 0.00 0.21 0.00 0.00 66.02 66.28 1jex s SER 20 CO 0.80 -0.33 0.22 -0.89 0.41 0.00 0.00 173.24 173.45 1jex s THR 21 N 2.15 -0.34 0.49 1.44 2.01 -0.94 0.56 115.64 121.00 1jex s THR 21 Ca 0.03 0.03 0.01 0.00 0.31 0.00 0.00 61.69 62.07 1jex s THR 21 Cb -0.15 -0.58 0.01 0.00 0.01 0.00 0.00 72.50 71.79 1jex s THR 21 CO -0.08 -0.09 0.11 0.79 -0.69 0.00 0.00 174.62 174.66 1jex n TRP 22 N 5.33 0.61 -3.22 4.92 8.01 -1.23 -2.85 117.44 129.01 1jex n TRP 22 Ca -0.05 -2.30 -0.01 0.00 -1.31 0.00 0.00 57.50 53.83 1jex n TRP 22 Cb 0.50 -0.34 -0.03 0.00 -2.01 0.00 0.00 31.31 29.42 1jex n TRP 22 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.69 176.82 1jex s VAL 23 N -2.67 -0.86 -0.44 -0.99 -7.23 -0.98 -4.02 120.40 103.20 1jex s VAL 23 Ca 0.08 -0.05 -0.27 0.00 -1.81 0.00 0.00 61.98 59.92 1jex s VAL 23 Cb -0.01 -0.96 -0.03 0.00 0.56 0.00 0.00 36.38 35.95 1jex s VAL 23 CO 0.05 -0.06 1.93 -0.51 -0.31 0.00 0.00 175.10 176.19 1jex s ILE 24 N 2.74 3.34 -0.09 -0.62 -1.16 -1.25 -2.78 121.20 121.39 1jex s ILE 24 Ca 0.15 0.30 0.02 0.00 -0.51 0.00 0.00 60.65 60.61 1jex s ILE 24 Cb -0.14 -3.62 0.01 0.00 0.61 0.00 0.00 42.46 39.32 1jex s ILE 24 CO -0.22 -0.50 -0.15 -1.48 -2.81 0.00 0.00 174.94 169.77 1jex s LEU 25 N 8.41 1.74 -1.54 8.50 0.05 -0.02 -3.81 118.68 132.02 1jex s LEU 25 Ca 0.79 -0.39 -0.05 0.00 0.05 0.00 0.00 54.13 54.53 1jex s LEU 25 Cb -0.19 -1.02 0.01 0.00 -2.05 0.00 0.00 46.19 42.93 1jex s LEU 25 CO 0.28 0.05 0.65 1.57 -0.55 0.00 0.00 176.35 178.35 1jex n HIS 26 N 3.92 -2.03 -0.87 3.48 -0.00 -1.26 0.31 115.22 118.77 1jex n HIS 26 Ca -0.21 0.56 0.00 0.00 -0.00 0.00 0.00 57.72 58.07 1jex n HIS 26 Cb 0.52 -4.48 0.00 0.00 -0.00 0.00 0.00 29.99 26.03 1jex n HIS 26 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 1jex n HIS 27 N -4.53 0.00 -4.05 1.57 8.25 -1.26 -4.94 115.22 110.26 1jex n HIS 27 Ca -0.10 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.04 1jex n HIS 27 Cb 0.61 -0.88 -0.15 0.00 1.12 0.00 0.00 29.99 30.69 1jex n HIS 27 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1jex s LYS 28 N -0.75 2.14 0.08 -0.41 -0.14 0.15 -3.97 119.74 116.84 1jex s LYS 28 Ca 0.00 -1.28 -0.23 0.00 -1.36 0.00 0.00 55.97 53.10 1jex s LYS 28 Cb 0.00 -2.83 -0.07 0.00 -1.68 0.00 0.00 37.83 33.25 1jex s LYS 28 CO 0.00 -0.57 0.69 0.54 -0.76 0.00 0.00 175.35 175.25 1jex s VAL 29 N 1.16 4.65 -0.05 3.17 0.11 -1.08 -0.84 120.40 127.52 1jex s VAL 29 Ca -0.08 1.48 0.06 0.00 -2.93 0.00 0.00 61.98 60.51 1jex s VAL 29 Cb -0.20 -4.04 -0.02 0.00 -1.53 0.00 0.00 36.38 30.60 1jex s VAL 29 CO -0.05 0.47 -0.23 -0.31 -3.33 0.00 0.00 175.10 171.65 1jex s TYR 30 N -0.70 2.47 -1.17 1.54 1.51 -1.12 -2.99 117.35 116.89 1jex s TYR 30 Ca 0.34 -0.55 -0.12 0.00 -1.01 0.00 0.00 57.07 55.74 1jex s TYR 30 Cb -0.21 -1.59 0.21 0.00 -0.11 0.00 0.00 41.96 40.27 1jex s TYR 30 CO 0.22 -0.10 1.31 0.34 -1.11 0.00 0.00 175.55 176.21 1jex s ASP 31 N -0.36 7.18 -0.03 2.29 -1.08 0.24 -2.32 116.67 122.58 1jex s ASP 31 Ca 0.03 -3.25 0.04 0.00 -0.52 0.00 0.00 52.55 48.84 1jex s ASP 31 Cb -0.12 -2.32 0.16 0.00 -1.46 0.00 0.00 42.92 39.18 1jex s ASP 31 CO 0.02 -0.56 0.89 0.00 0.52 0.00 0.00 175.17 176.04 1jex n LEU 32 N 4.45 1.60 0.31 -1.34 -0.00 -1.19 -3.88 117.00 116.95 1jex n LEU 32 Ca 0.32 -0.80 0.20 0.00 -0.00 0.00 0.00 56.01 55.72 1jex n LEU 32 Cb 0.41 -0.38 0.98 0.00 -0.00 0.00 0.00 43.42 44.43 1jex n LEU 32 CO 0.56 0.29 1.10 0.00 -0.00 0.00 0.00 177.39 179.34 1jex h THR 33 N 0.88 0.09 0.00 1.47 1.03 -1.83 1.48 112.91 116.03 1jex h THR 33 Ca 0.00 -0.23 -0.17 0.00 -0.01 0.00 0.00 66.41 66.00 1jex h THR 33 Cb 0.60 1.21 -0.03 0.00 -1.07 0.00 0.00 68.15 68.86 1jex h THR 33 CO 0.07 0.02 -1.07 1.17 -0.01 0.00 0.00 175.52 175.69 1jex n LYS 34 N -3.18 0.53 -0.13 0.00 3.00 -1.25 -4.12 118.16 113.00 1jex n LYS 34 Ca -0.02 0.55 0.03 0.00 -0.00 0.00 0.00 58.31 58.87 1jex n LYS 34 Cb 0.17 -1.72 0.09 0.00 0.00 0.00 0.00 35.03 33.56 1jex n LYS 34 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 1jex n PHE 35 N -4.48 0.33 0.09 5.64 -0.00 -1.11 -3.93 117.46 114.00 1jex n PHE 35 Ca -0.25 -0.14 0.08 0.00 -0.00 0.00 0.00 57.45 57.13 1jex n PHE 35 Cb 0.56 -0.06 0.54 0.00 -0.00 0.00 0.00 39.48 40.53 1jex n PHE 35 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.76 178.01 1jex h LEU 36 N 1.10 0.23 0.00 -2.13 6.46 0.19 0.15 115.31 121.31 1jex h LEU 36 Ca 0.00 -0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 1jex h LEU 36 Cb 0.43 -0.05 0.00 0.00 -0.73 0.00 0.00 40.66 40.30 1jex h LEU 36 CO 0.03 0.16 -0.76 -0.08 -0.62 0.00 0.00 178.44 177.17 1jex h GLU 37 N 0.27 0.00 -0.01 1.25 4.22 -1.82 -3.25 114.58 115.25 1jex h GLU 37 Ca 0.12 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.56 1jex h GLU 37 Cb 0.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.39 1jex h GLU 37 CO -0.02 0.00 -0.16 0.39 -2.18 0.00 0.00 179.01 177.04 1jex n GLU 38 N -2.52 0.86 -3.17 1.92 -0.58 0.33 -4.83 120.64 112.65 1jex n GLU 38 Ca 0.02 -0.41 -0.39 0.00 -0.42 0.00 0.00 57.16 55.96 1jex n GLU 38 Cb 0.51 -1.49 -0.05 0.00 -0.57 0.00 0.00 31.44 29.83 1jex n GLU 38 CO 0.00 0.00 0.00 -1.58 -0.48 0.00 0.00 177.13 175.07 1jex s HIS 39 N -2.43 3.59 -2.00 -0.32 2.46 -0.14 -4.93 115.29 111.52 1jex s HIS 39 Ca 0.28 1.13 0.24 0.00 0.47 0.00 0.00 55.06 57.18 1jex s HIS 39 Cb 0.20 -2.67 1.41 0.00 -0.13 0.00 0.00 32.58 31.39 1jex s HIS 39 CO 0.48 0.19 1.78 -0.35 -2.47 0.00 0.00 174.74 174.37 1jex n PRO 40 N 3.44 0.75 0.00 2.88 -0.04 -1.26 -4.00 135.00 136.76 1jex n PRO 40 Ca -0.05 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.41 1jex n PRO 40 Cb 0.51 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 32.48 1jex n PRO 40 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1jex n GLY 41 N 0.50 0.30 0.00 0.55 0.00 -1.26 -5.09 105.19 100.18 1jex n GLY 41 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1jex n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jex n GLY 42 N 1.58 1.20 0.00 -0.02 0.00 -1.26 -4.99 105.19 101.70 1jex n GLY 42 Ca 0.00 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.30 1jex n GLY 42 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1jex n GLU 43 N 0.00 2.54 -0.00 1.61 2.13 -1.26 -4.54 120.64 121.12 1jex n GLU 43 Ca 0.00 0.00 0.02 0.00 0.66 0.00 0.00 57.16 57.84 1jex n GLU 43 Cb 0.00 -0.75 -0.03 0.00 0.27 0.00 0.00 31.44 30.93 1jex n GLU 43 CO 0.00 0.00 0.00 -0.85 -0.41 0.00 0.00 177.13 175.87 1jex n GLU 44 N -1.10 4.29 0.06 5.31 0.00 -1.26 -4.33 120.64 123.62 1jex n GLU 44 Ca 0.00 -0.01 0.05 0.00 0.00 0.00 0.00 57.16 57.20 1jex n GLU 44 Cb 0.00 -0.81 -0.05 0.00 0.00 0.00 0.00 31.44 30.59 1jex n GLU 44 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.13 176.89 1jex h VAL 45 N 0.00 0.31 0.16 3.84 3.04 -1.94 -1.56 116.25 120.09 1jex h VAL 45 Ca 0.00 -1.60 -0.29 0.00 -1.01 0.00 0.00 66.70 63.79 1jex h VAL 45 Cb 0.14 1.83 0.02 0.00 -2.01 0.00 0.00 31.29 31.27 1jex h VAL 45 CO 0.00 0.18 -1.29 -0.07 -1.01 0.00 0.00 177.57 175.37 1jex h LEU 46 N 0.00 0.58 0.00 3.16 3.38 -1.80 -3.28 115.31 117.36 1jex h LEU 46 Ca -0.10 -0.61 -0.05 0.00 0.09 0.00 0.00 57.88 57.21 1jex h LEU 46 Cb 1.35 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.90 1jex h LEU 46 CO 0.03 1.47 -0.91 0.08 0.09 0.00 0.00 178.44 179.19 1jex h ARG 47 N 0.12 0.00 -0.72 1.13 0.11 -1.75 -3.33 114.38 109.94 1jex h ARG 47 Ca -0.17 0.00 0.21 0.00 0.10 0.00 0.00 59.98 60.12 1jex h ARG 47 Cb 2.00 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 33.05 1jex h ARG 47 CO 0.22 0.12 0.75 1.49 0.10 0.00 0.00 179.97 182.65 1jex h GLU 48 N 0.00 0.00 -0.08 0.08 4.57 -1.33 1.55 114.58 119.36 1jex h GLU 48 Ca -0.04 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.12 1jex h GLU 48 Cb 1.19 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.76 1jex h GLU 48 CO 0.02 0.00 -0.15 1.04 -1.18 0.00 0.00 179.01 178.73 1jex n GLN 49 N -3.62 1.66 -1.84 1.92 1.13 -1.25 -4.83 117.38 110.55 1jex n GLN 49 Ca 0.15 -2.90 -0.40 0.00 -1.94 0.00 0.00 57.00 51.90 1jex n GLN 49 Cb 0.99 -1.62 -0.01 0.00 0.11 0.00 0.00 30.24 29.71 1jex n GLN 49 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1jex n ALA 50 N -1.18 6.72 0.00 -1.58 0.00 0.53 -3.48 120.51 121.51 1jex n ALA 50 Ca 0.20 -3.96 0.00 0.00 0.00 0.00 0.00 53.44 49.68 1jex n ALA 50 Cb 0.74 -3.02 0.00 0.00 0.00 0.00 0.00 19.45 17.17 1jex n ALA 50 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jex n GLY 51 N 2.55 0.11 0.00 0.00 0.00 -1.26 -4.37 105.19 102.22 1jex n GLY 51 Ca 0.63 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.59 1jex n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jex n GLY 52 N -0.76 1.59 3.38 -0.02 0.00 -1.23 -4.79 105.19 103.36 1jex n GLY 52 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 1jex n GLY 52 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1jex s ASP 53 N 0.53 4.62 0.11 1.61 -4.77 -1.26 -3.88 116.67 113.63 1jex s ASP 53 Ca 0.00 -0.30 0.21 0.00 -3.30 0.00 0.00 52.55 49.16 1jex s ASP 53 Cb 0.00 -1.80 -0.11 0.00 -1.09 0.00 0.00 42.92 39.92 1jex s ASP 53 CO 0.00 0.01 0.85 0.00 0.70 0.00 0.00 175.17 176.72 1jex n ALA 54 N 4.64 2.39 -0.26 2.11 0.00 -1.25 -4.14 120.51 123.99 1jex n ALA 54 Ca -0.17 -0.41 0.07 0.00 0.00 0.00 0.00 53.44 52.93 1jex n ALA 54 Cb 0.51 -0.97 0.21 0.00 0.00 0.00 0.00 19.45 19.21 1jex n ALA 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jex h THR 55 N 0.00 0.53 -1.12 0.00 1.03 -1.92 2.69 112.91 114.12 1jex h THR 55 Ca -0.06 -0.12 0.31 0.00 -0.01 0.00 0.00 66.41 66.53 1jex h THR 55 Cb 1.20 0.17 -0.08 0.00 -1.07 0.00 0.00 68.15 68.36 1jex h THR 55 CO 0.01 0.06 0.75 1.05 -0.01 0.00 0.00 175.52 177.38 1jex h GLU 56 N 0.34 0.24 0.00 0.00 4.11 -1.96 2.31 114.58 119.62 1jex h GLU 56 Ca 0.45 -0.01 -0.42 0.00 0.07 0.00 0.00 59.36 59.45 1jex h GLU 56 Cb 0.77 -0.05 -0.07 0.00 0.50 0.00 0.00 28.75 29.90 1jex h GLU 56 CO -0.49 0.16 -2.49 0.09 0.07 0.00 0.00 179.01 176.34 1jex n ASN 57 N -4.50 1.98 -0.37 3.06 3.02 0.16 -3.51 115.26 115.09 1jex n ASN 57 Ca 0.27 0.05 0.01 0.00 -0.03 0.00 0.00 54.58 54.88 1jex n ASN 57 Cb 1.05 -0.57 0.15 0.00 -0.61 0.00 0.00 39.78 39.80 1jex n ASN 57 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 1jex h PHE 58 N -0.40 1.24 0.00 3.10 3.04 0.52 -0.03 116.94 124.41 1jex h PHE 58 Ca -0.62 0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.36 1jex h PHE 58 Cb 1.78 -0.41 0.00 0.00 2.56 0.00 0.00 35.95 39.87 1jex h PHE 58 CO -0.02 0.70 -0.13 0.93 -2.02 0.00 0.00 178.31 177.77 1jex h GLU 59 N 1.27 0.00 0.18 1.11 4.39 0.37 -3.23 114.58 118.67 1jex h GLU 59 Ca 0.41 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 60.10 1jex h GLU 59 Cb 0.02 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.67 1jex h GLU 59 CO -0.13 0.00 -0.09 0.22 -1.16 0.00 0.00 179.01 177.85 1jex h ASP 60 N 0.00 -0.20 0.00 1.42 1.82 -1.08 -2.87 116.42 115.50 1jex h ASP 60 Ca 0.00 -0.33 0.00 0.00 -0.39 0.00 0.00 57.03 56.31 1jex h ASP 60 Cb 0.83 0.05 0.00 0.00 0.68 0.00 0.00 39.33 40.90 1jex h ASP 60 CO 0.00 0.29 0.01 1.62 -1.61 0.00 0.00 179.24 179.55 1jex h VAL 61 N -0.78 0.00 -4.23 2.25 3.04 -1.37 -3.46 116.25 111.69 1jex h VAL 61 Ca -0.02 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.67 1jex h VAL 61 Cb 0.52 0.93 0.00 0.00 -2.01 0.00 0.00 31.29 30.73 1jex h VAL 61 CO 0.04 0.00 -0.22 0.61 -1.01 0.00 0.00 177.57 176.99 1jex n GLY 62 N -1.11 -0.99 3.76 3.17 0.00 -1.09 -4.98 105.19 103.96 1jex n GLY 62 Ca -0.03 0.55 -0.40 0.00 0.00 0.00 0.00 46.02 46.14 1jex n GLY 62 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1jex s HIS 63 N -2.07 3.55 0.63 1.61 3.76 -1.24 -4.96 115.29 116.57 1jex s HIS 63 Ca 0.11 1.69 -0.17 0.00 -0.15 0.00 0.00 55.06 56.53 1jex s HIS 63 Cb -0.03 -3.31 -0.10 0.00 1.11 0.00 0.00 32.58 30.26 1jex s HIS 63 CO 0.41 -0.62 0.23 0.45 -0.85 0.00 0.00 174.74 174.37 1jex n SER 64 N 1.16 -2.24 0.18 1.40 2.88 -1.26 -4.85 113.62 110.89 1jex n SER 64 Ca -0.01 0.63 0.05 0.00 -1.33 0.00 0.00 58.87 58.20 1jex n SER 64 Cb 0.45 -1.06 0.28 0.00 -0.75 0.00 0.00 64.21 63.13 1jex n SER 64 CO 0.00 0.00 0.00 0.71 -1.23 0.00 0.00 175.04 174.52 1jex h THR 65 N -0.11 0.94 -0.51 2.46 1.35 -2.05 -2.48 112.91 112.51 1jex h THR 65 Ca -0.44 -1.68 0.00 0.00 -0.55 0.00 0.00 66.41 63.74 1jex h THR 65 Cb 1.39 2.02 0.00 0.00 -1.73 0.00 0.00 68.15 69.83 1jex h THR 65 CO 0.42 0.41 0.00 0.47 -0.25 0.00 0.00 175.52 176.57 1jex n ASP 66 N -3.51 4.02 0.06 5.36 8.00 -1.26 -4.04 116.55 125.18 1jex n ASP 66 Ca -0.00 -2.42 0.11 0.00 0.71 0.00 0.00 54.79 53.20 1jex n ASP 66 Cb 0.55 -0.54 0.45 0.00 -0.02 0.00 0.00 41.12 41.57 1jex n ASP 66 CO 0.00 0.00 0.00 0.55 -0.39 0.00 0.00 177.20 177.36 1jex n VAL 67 N 0.79 0.63 0.27 2.53 3.14 -0.93 -2.58 118.33 122.17 1jex n VAL 67 Ca 0.21 0.06 0.08 0.00 -2.96 0.00 0.00 64.34 61.72 1jex n VAL 67 Cb 0.78 -0.83 0.35 0.00 -1.06 0.00 0.00 33.84 33.08 1jex n VAL 67 CO 0.00 0.00 0.00 -1.14 -6.46 0.00 0.00 176.83 169.23 1jex n ARG 68 N -1.89 0.09 0.01 1.45 0.63 -1.26 -0.56 116.66 115.14 1jex n ARG 68 Ca 0.04 0.45 0.12 0.00 -0.92 0.00 0.00 57.85 57.55 1jex n ARG 68 Cb 0.29 -1.71 0.30 0.00 0.45 0.00 0.00 32.46 31.79 1jex n ARG 68 CO 0.00 0.00 0.00 -0.85 -2.51 0.00 0.00 177.63 174.27 1jex n GLU 69 N -1.88 0.06 -0.00 -0.14 0.28 -1.07 -4.23 120.64 113.66 1jex n GLU 69 Ca 0.01 0.02 -0.00 0.00 -0.16 0.00 0.00 57.16 57.03 1jex n GLU 69 Cb 0.11 -1.54 -0.00 0.00 1.43 0.00 0.00 31.44 31.43 1jex n GLU 69 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 177.13 176.90 1jex h LEU 70 N 0.00 -0.03 -8.05 -1.84 -0.00 -1.04 -3.41 115.31 100.95 1jex h LEU 70 Ca 0.00 0.00 -0.66 0.00 -0.00 0.00 0.00 57.88 57.22 1jex h LEU 70 Cb 0.55 0.01 -0.15 0.00 -0.00 0.00 0.00 40.66 41.07 1jex h LEU 70 CO 0.00 0.11 0.93 -0.55 -0.00 0.00 0.00 178.44 178.94 1jex s SER 71 N -3.62 6.53 0.01 -0.43 0.15 -1.23 -4.63 113.70 110.47 1jex s SER 71 Ca -0.00 -1.75 -0.01 0.00 0.70 0.00 0.00 55.95 54.89 1jex s SER 71 Cb 0.00 -2.44 -0.00 0.00 -1.71 0.00 0.00 66.02 61.87 1jex s SER 71 CO 0.01 -1.22 -0.01 1.17 1.20 0.00 0.00 173.24 174.39 1jex n LYS 72 N 7.24 0.02 0.09 5.44 0.00 -1.26 -4.64 118.16 125.05 1jex n LYS 72 Ca 0.22 0.01 -0.03 0.00 0.00 0.00 0.00 58.31 58.51 1jex n LYS 72 Cb 0.49 -0.54 -0.06 0.00 0.00 0.00 0.00 35.03 34.92 1jex n LYS 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1jex h THR 73 N -0.04 1.23 0.00 3.15 1.03 -1.94 -3.13 112.91 113.20 1jex h THR 73 Ca -0.02 -2.78 0.00 0.00 -0.01 0.00 0.00 66.41 63.60 1jex h THR 73 Cb 0.81 2.59 0.00 0.00 -1.07 0.00 0.00 68.15 70.48 1jex h THR 73 CO -0.01 0.70 0.00 -1.22 -0.01 0.00 0.00 175.52 174.97 1jex n TYR 74 N -3.25 0.00 -2.26 0.00 4.01 -1.26 -4.82 117.16 109.58 1jex n TYR 74 Ca -0.01 0.00 -0.36 0.00 -0.16 0.00 0.00 57.90 57.37 1jex n TYR 74 Cb 0.85 0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 39.88 1jex n TYR 74 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1jex s ILE 75 N -2.00 3.15 -0.09 -0.72 -1.09 -1.19 0.79 121.20 120.06 1jex s ILE 75 Ca 0.30 0.79 -0.01 0.00 -2.23 0.00 0.00 60.65 59.50 1jex s ILE 75 Cb 0.14 -3.36 -0.05 0.00 -1.58 0.00 0.00 42.46 37.61 1jex s ILE 75 CO 0.23 -0.08 -0.08 2.30 -1.23 0.00 0.00 174.94 176.07 1jex n ILE 76 N -0.88 0.48 0.00 2.92 -5.35 -1.19 -4.68 119.36 110.66 1jex n ILE 76 Ca 0.09 -0.17 0.00 0.00 -0.27 0.00 0.00 62.75 62.40 1jex n ILE 76 Cb 0.49 -1.00 0.00 0.00 -1.74 0.00 0.00 39.64 37.40 1jex n ILE 76 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1jex n GLY 77 N 2.94 0.11 3.62 3.28 0.00 -1.16 -4.79 105.19 109.18 1jex n GLY 77 Ca -0.15 -0.27 -0.01 0.00 0.00 0.00 0.00 46.02 45.59 1jex n GLY 77 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1jex s GLU 78 N 0.00 0.56 0.97 1.61 -1.05 -1.26 -2.63 118.70 116.90 1jex s GLU 78 Ca 0.00 1.40 -0.13 0.00 -0.15 0.00 0.00 54.97 56.08 1jex s GLU 78 Cb 0.00 0.84 0.05 0.00 -0.44 0.00 0.00 34.13 34.58 1jex s GLU 78 CO 0.00 -0.20 0.39 1.47 0.95 0.00 0.00 175.26 177.87 1jex n LEU 79 N 5.42 -0.35 -3.64 1.83 -0.00 -1.25 -4.11 117.00 114.89 1jex n LEU 79 Ca -0.12 0.28 -0.40 0.00 -0.00 0.00 0.00 56.01 55.77 1jex n LEU 79 Cb 0.49 -1.19 -0.03 0.00 -0.00 0.00 0.00 43.42 42.70 1jex n LEU 79 CO -0.04 -3.54 0.03 1.57 -0.00 0.00 0.00 177.39 175.42 1jex n HIS 80 N -3.71 -0.32 0.24 1.47 -0.00 -0.45 -4.67 115.22 107.77 1jex n HIS 80 Ca 0.06 0.81 0.13 0.00 -0.00 0.00 0.00 57.72 58.72 1jex n HIS 80 Cb 0.54 -1.63 0.40 0.00 -0.00 0.00 0.00 29.99 29.31 1jex n HIS 80 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 1jex h PRO 81 N 0.97 0.00 0.19 1.57 0.13 -1.92 -1.39 132.00 131.54 1jex h PRO 81 Ca -0.25 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.58 1jex h PRO 81 Cb 1.19 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.35 1jex h PRO 81 CO 0.48 0.08 -1.28 0.22 -0.23 0.00 0.00 178.00 177.26 1jex h ASP 82 N 0.00 0.80 0.39 1.44 3.58 -1.99 -3.02 116.42 117.62 1jex h ASP 82 Ca -0.00 -0.89 -0.14 0.00 0.42 0.00 0.00 57.03 56.42 1jex h ASP 82 Cb 0.81 -0.26 -0.01 0.00 1.72 0.00 0.00 39.33 41.58 1jex h ASP 82 CO 0.01 1.62 -0.61 0.44 -2.88 0.00 0.00 179.24 177.82 1jex h ASP 83 N 0.11 0.25 -0.29 2.28 5.19 -1.89 -0.79 116.42 121.28 1jex h ASP 83 Ca -0.21 -0.14 -0.03 0.00 -0.62 0.00 0.00 57.03 56.03 1jex h ASP 83 Cb 1.98 -0.07 -0.02 0.00 0.18 0.00 0.00 39.33 41.40 1jex h ASP 83 CO 0.24 0.79 0.10 -0.09 -3.12 0.00 0.00 179.24 177.16 1jex h ARG 84 N 0.16 0.53 0.00 3.56 1.12 -1.30 -1.27 114.38 117.18 1jex h ARG 84 Ca -0.01 -0.08 0.00 0.00 -1.11 0.00 0.00 59.98 58.78 1jex h ARG 84 Cb 1.11 -0.09 0.00 0.00 -0.01 0.00 0.00 29.97 30.98 1jex h ARG 84 CO 0.09 0.48 -0.73 1.03 -3.11 0.00 0.00 179.97 177.73 1jex h SER 85 N 0.52 0.00 -0.07 -3.80 0.87 -1.37 -3.32 113.55 106.38 1jex h SER 85 Ca 0.12 -0.21 -0.11 0.00 -1.23 0.00 0.00 61.79 60.36 1jex h SER 85 Cb 0.19 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.14 1jex h SER 85 CO -0.01 0.11 -0.31 0.11 -0.53 0.00 0.00 176.83 176.20 1jex h LYS 86 N 0.00 0.55 0.00 2.24 1.79 0.05 -1.41 116.57 119.79 1jex h LYS 86 Ca 0.00 -0.24 0.00 0.00 -2.18 0.00 0.00 60.65 58.23 1jex h LYS 86 Cb 0.77 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.41 1jex h LYS 86 CO 0.00 0.80 0.00 -0.89 -1.08 0.00 0.00 179.45 178.28 1jex n ILE 87 N -4.08 0.76 0.00 1.86 5.41 -1.00 -5.08 119.36 117.23 1jex n ILE 87 Ca -0.01 0.19 0.00 0.00 1.00 0.00 0.00 62.75 63.93 1jex n ILE 87 Cb 0.46 -0.90 0.00 0.00 -0.71 0.00 0.00 39.64 38.49 1jex n ILE 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55