#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 3.38 -0.86 5.55 2.47 -1.26 -5.01 119.74 124.01 1jex s LYS 5 Ca 0.00 -0.36 -0.21 0.00 -1.56 0.00 0.00 55.97 53.84 1jex s LYS 5 Cb 0.00 -2.97 0.10 0.00 -1.46 0.00 0.00 37.83 33.50 1jex s LYS 5 CO 0.00 0.55 1.14 0.71 0.16 0.00 0.00 175.35 177.91 1jex s TYR 6 N -0.44 2.86 -0.18 4.03 2.02 -1.26 -4.35 117.35 120.03 1jex s TYR 6 Ca 0.09 -1.00 -0.07 0.00 -0.37 0.00 0.00 57.07 55.71 1jex s TYR 6 Cb -0.12 -4.37 -0.04 0.00 -0.40 0.00 0.00 41.96 37.03 1jex s TYR 6 CO 0.02 -1.64 0.06 1.52 -1.57 0.00 0.00 175.55 173.95 1jex s TYR 7 N 3.59 3.25 0.64 2.71 -0.85 -1.26 -4.37 117.35 121.06 1jex s TYR 7 Ca 0.32 0.08 -0.12 0.00 -0.52 0.00 0.00 57.07 56.83 1jex s TYR 7 Cb -0.08 -2.08 -0.02 0.00 0.38 0.00 0.00 41.96 40.16 1jex s TYR 7 CO -0.03 0.16 1.04 0.95 -1.52 0.00 0.00 175.55 176.15 1jex s THR 8 N 0.37 4.32 0.51 -3.49 -4.23 -1.26 -1.01 115.64 110.84 1jex s THR 8 Ca 0.03 0.81 0.42 0.00 -1.18 0.00 0.00 61.69 61.77 1jex s THR 8 Cb -0.12 -3.61 0.63 0.00 1.34 0.00 0.00 72.50 70.74 1jex s THR 8 CO 0.00 -0.92 1.60 -0.07 -0.54 0.00 0.00 174.62 174.69 1jex h LEU 9 N -0.31 0.09 -1.36 4.79 4.07 -1.94 1.63 115.31 122.29 1jex h LEU 9 Ca -0.44 0.06 0.11 0.00 0.08 0.00 0.00 57.88 57.69 1jex h LEU 9 Cb 1.20 0.06 -0.01 0.00 1.08 0.00 0.00 40.66 42.99 1jex h LEU 9 CO 0.59 -0.09 0.72 -0.08 -1.08 0.00 0.00 178.44 178.49 1jex h GLU 10 N 0.02 0.00 0.00 1.13 4.81 -1.99 1.52 114.58 120.07 1jex h GLU 10 Ca 0.88 0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 59.95 1jex h GLU 10 Cb 3.25 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 32.61 1jex h GLU 10 CO -0.19 0.00 -1.40 0.39 -0.73 0.00 0.00 179.01 177.08 1jex n GLU 11 N -3.13 0.54 -0.31 1.92 -0.58 0.55 -3.94 120.64 115.69 1jex n GLU 11 Ca 0.07 0.32 0.10 0.00 -0.42 0.00 0.00 57.16 57.23 1jex n GLU 11 Cb 0.86 -1.53 0.32 0.00 -0.57 0.00 0.00 31.44 30.52 1jex n GLU 11 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 1jex h ILE 12 N -1.00 0.86 -0.61 -3.67 5.03 -1.20 0.79 117.51 117.71 1jex h ILE 12 Ca -0.24 -0.28 0.03 0.00 -0.12 0.00 0.00 64.86 64.25 1jex h ILE 12 Cb 1.13 -0.03 -0.04 0.00 -3.03 0.00 0.00 36.82 34.85 1jex h ILE 12 CO -0.15 0.15 0.37 1.56 -0.68 0.00 0.00 178.15 179.40 1jex h GLN 13 N 0.82 0.70 0.00 2.37 1.08 0.19 0.21 115.11 120.48 1jex h GLN 13 Ca 0.48 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.64 1jex h GLN 13 Cb 0.64 -0.16 0.00 0.00 -0.05 0.00 0.00 27.48 27.91 1jex h GLN 13 CO -0.24 0.46 0.00 1.63 -0.95 0.00 0.00 178.83 179.73 1jex n LYS 14 N -4.74 0.04 -1.17 1.46 4.76 0.11 -2.75 118.16 115.88 1jex n LYS 14 Ca 0.06 0.13 -0.27 0.00 -2.87 0.00 0.00 58.31 55.36 1jex n LYS 14 Cb 0.10 -1.50 0.10 0.00 -1.84 0.00 0.00 35.03 31.89 1jex n LYS 14 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 1jex n HIS 15 N -1.47 2.78 -1.93 2.13 8.25 0.74 -4.46 115.22 121.26 1jex n HIS 15 Ca 0.06 -2.37 -0.31 0.00 -0.26 0.00 0.00 57.72 54.83 1jex n HIS 15 Cb 0.23 -1.16 0.04 0.00 1.12 0.00 0.00 29.99 30.22 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 -0.74 3.14 -4.52 -0.41 4.81 -1.11 -3.47 118.16 115.86 1jex n LYS 16 Ca 0.54 -3.88 -0.27 0.00 -0.87 0.00 0.00 58.31 53.83 1jex n LYS 16 Cb 0.97 -2.27 -0.10 0.00 0.02 0.00 0.00 35.03 33.65 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 -2.55 3.99 -1.52 3.14 1.01 -1.26 -5.01 116.67 114.47 1jex s ASP 17 Ca 0.54 -1.31 -0.10 0.00 0.71 0.00 0.00 52.55 52.39 1jex s ASP 17 Cb 0.44 -0.42 -0.01 0.00 1.01 0.00 0.00 42.92 43.94 1jex s ASP 17 CO -0.13 -0.47 2.62 -0.24 0.21 0.00 0.00 175.17 177.15 1jex n SER 18 N -1.03 7.08 0.00 0.27 2.88 -1.26 -3.17 113.62 118.40 1jex n SER 18 Ca -0.04 -2.75 0.00 0.00 -1.33 0.00 0.00 58.87 54.74 1jex n SER 18 Cb 0.66 -1.56 0.00 0.00 -0.75 0.00 0.00 64.21 62.57 1jex n SER 18 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 1jex n LYS 19 N 4.06 0.00 -3.23 -1.46 2.85 -1.26 -5.02 118.16 114.10 1jex n LYS 19 Ca 0.67 0.00 -0.24 0.00 -1.05 0.00 0.00 58.31 57.68 1jex n LYS 19 Cb 0.29 0.00 -0.07 0.00 -0.65 0.00 0.00 35.03 34.60 1jex n LYS 19 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 1jex n SER 20 N -1.20 1.14 -4.50 -5.58 7.64 -1.19 -4.78 113.62 105.15 1jex n SER 20 Ca 0.00 -2.91 -0.39 0.00 1.01 0.00 0.00 58.87 56.58 1jex n SER 20 Cb 0.00 -0.64 -0.11 0.00 -1.01 0.00 0.00 64.21 62.44 1jex n SER 20 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1jex s THR 21 N -1.66 4.94 0.22 0.44 2.01 -1.23 -3.98 115.64 116.37 1jex s THR 21 Ca 0.37 -0.22 0.02 0.00 0.31 0.00 0.00 61.69 62.17 1jex s THR 21 Cb 0.18 -3.48 0.02 0.00 0.01 0.00 0.00 72.50 69.24 1jex s THR 21 CO -0.09 0.10 0.19 0.79 -0.69 0.00 0.00 174.62 174.92 1jex n TRP 22 N 5.03 -1.42 -3.15 4.92 8.01 -1.23 -3.31 117.44 126.29 1jex n TRP 22 Ca -0.14 -0.90 0.04 0.00 -1.31 0.00 0.00 57.50 55.20 1jex n TRP 22 Cb 0.50 -0.18 -0.01 0.00 -2.01 0.00 0.00 31.31 29.61 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 -0.95 -0.99 0.17 -0.99 -7.23 -0.98 -3.89 120.40 105.53 1jex s VAL 23 Ca 0.14 0.00 -0.31 0.00 -1.81 0.00 0.00 61.98 60.00 1jex s VAL 23 Cb -0.01 -1.00 -0.10 0.00 0.56 0.00 0.00 36.38 35.83 1jex s VAL 23 CO 0.09 0.00 1.53 -0.51 -0.31 0.00 0.00 175.10 175.90 1jex s ILE 24 N 2.85 2.73 -0.20 -0.62 2.07 -1.25 -2.96 121.20 123.83 1jex s ILE 24 Ca 0.18 0.53 -0.06 0.00 -1.41 0.00 0.00 60.65 59.89 1jex s ILE 24 Cb -0.14 -3.34 0.10 0.00 0.13 0.00 0.00 42.46 39.21 1jex s ILE 24 CO -0.22 0.05 0.39 -1.48 -1.91 0.00 0.00 174.94 171.76 1jex s LEU 25 N 0.99 -0.60 -0.93 8.50 0.05 -0.13 -2.16 118.68 124.40 1jex s LEU 25 Ca 0.68 0.79 -0.03 0.00 0.05 0.00 0.00 54.13 55.62 1jex s LEU 25 Cb -0.42 1.23 0.00 0.00 -2.05 0.00 0.00 46.19 44.94 1jex s LEU 25 CO 0.32 -0.25 0.42 1.41 -0.55 0.00 0.00 176.35 177.70 1jex n HIS 26 N 5.38 -1.27 -0.91 3.48 8.25 -1.26 -1.49 115.22 127.41 1jex n HIS 26 Ca -0.07 0.36 0.00 0.00 -0.26 0.00 0.00 57.72 57.75 1jex n HIS 26 Cb 0.50 -3.18 0.00 0.00 1.12 0.00 0.00 29.99 28.43 1jex n HIS 26 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 1jex n HIS 27 N -4.02 0.00 -4.08 4.41 -0.00 -1.26 -4.94 115.22 105.33 1jex n HIS 27 Ca -0.06 0.00 -0.32 0.00 -0.00 0.00 0.00 57.72 57.34 1jex n HIS 27 Cb 0.57 -1.10 -0.15 0.00 -0.00 0.00 0.00 29.99 29.31 1jex n HIS 27 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.34 176.49 1jex s LYS 28 N -1.00 2.44 0.16 1.57 3.01 -0.55 -4.17 119.74 121.19 1jex s LYS 28 Ca 0.00 -1.19 -0.26 0.00 -1.01 0.00 0.00 55.97 53.51 1jex s LYS 28 Cb 0.00 -2.79 -0.08 0.00 -1.01 0.00 0.00 37.83 33.95 1jex s LYS 28 CO 0.00 -0.47 0.79 0.54 0.51 0.00 0.00 175.35 176.72 1jex s VAL 29 N 1.16 4.38 -0.00 3.17 0.11 -1.11 -0.95 120.40 127.15 1jex s VAL 29 Ca -0.05 1.73 0.08 0.00 -2.93 0.00 0.00 61.98 60.81 1jex s VAL 29 Cb -0.18 -4.15 -0.02 0.00 -1.53 0.00 0.00 36.38 30.49 1jex s VAL 29 CO -0.07 0.51 -0.23 -0.31 -3.33 0.00 0.00 175.10 171.66 1jex s TYR 30 N -1.05 2.41 -0.91 1.54 1.51 -1.15 -2.97 117.35 116.73 1jex s TYR 30 Ca 0.36 -0.37 -0.13 0.00 -1.01 0.00 0.00 57.07 55.92 1jex s TYR 30 Cb -0.23 -1.49 0.23 0.00 -0.11 0.00 0.00 41.96 40.36 1jex s TYR 30 CO 0.26 0.07 0.89 0.34 -1.11 0.00 0.00 175.55 176.00 1jex s ASP 31 N -0.87 6.89 -0.47 2.29 -1.08 0.32 -2.32 116.67 121.44 1jex s ASP 31 Ca 0.11 -2.87 0.03 0.00 -0.52 0.00 0.00 52.55 49.31 1jex s ASP 31 Cb -0.10 -2.23 0.59 0.00 -1.46 0.00 0.00 42.92 39.72 1jex s ASP 31 CO 0.01 -0.54 1.85 0.00 0.52 0.00 0.00 175.17 177.00 1jex n LEU 32 N 3.89 6.47 0.23 -1.34 -0.00 -1.24 -4.43 117.00 120.58 1jex n LEU 32 Ca 0.17 -3.84 0.14 0.00 -0.00 0.00 0.00 56.01 52.49 1jex n LEU 32 Cb 0.45 -0.82 0.40 0.00 -0.00 0.00 0.00 43.42 43.46 1jex n LEU 32 CO 0.38 1.22 0.89 0.71 -0.00 0.00 0.00 177.39 180.59 1jex h THR 33 N 1.05 0.00 0.00 1.47 1.35 -1.86 0.13 112.91 115.05 1jex h THR 33 Ca 0.56 -0.73 -0.20 0.00 -0.55 0.00 0.00 66.41 65.49 1jex h THR 33 Cb 2.16 1.71 -0.03 0.00 -1.73 0.00 0.00 68.15 70.26 1jex h THR 33 CO 1.09 0.00 -1.15 1.17 -0.25 0.00 0.00 175.52 176.38 1jex n LYS 34 N -2.97 0.55 -0.04 4.72 3.00 -1.26 -4.08 118.16 118.07 1jex n LYS 34 Ca 0.03 0.57 0.05 0.00 -0.00 0.00 0.00 58.31 58.96 1jex n LYS 34 Cb 0.42 -1.74 0.24 0.00 0.00 0.00 0.00 35.03 33.96 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 -4.46 0.11 -0.36 5.64 -0.00 -1.24 -3.88 117.46 113.28 1jex n PHE 35 Ca -0.28 -0.06 0.04 0.00 -0.00 0.00 0.00 57.45 57.15 1jex n PHE 35 Cb 0.61 0.00 0.20 0.00 -0.00 0.00 0.00 39.48 40.29 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 0.68 0.95 0.00 -2.13 6.46 -0.87 0.26 115.31 120.66 1jex h LEU 36 Ca 0.00 0.03 0.00 0.00 -0.12 0.00 0.00 57.88 57.79 1jex h LEU 36 Cb 0.15 -0.17 0.00 0.00 -0.73 0.00 0.00 40.66 39.92 1jex h LEU 36 CO 0.00 0.56 -0.20 -0.08 -0.62 0.00 0.00 178.44 178.09 1jex h GLU 37 N 1.05 0.00 -0.00 1.25 4.22 -1.84 -3.09 114.58 116.17 1jex h GLU 37 Ca 0.45 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.89 1jex h GLU 37 Cb 0.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.57 1jex h GLU 37 CO -0.22 0.00 -0.16 0.39 -2.18 0.00 0.00 179.01 176.84 1jex n GLU 38 N -2.99 0.54 -2.98 1.92 -0.58 0.50 -4.82 120.64 112.23 1jex n GLU 38 Ca 0.03 -0.20 -0.40 0.00 -0.42 0.00 0.00 57.16 56.17 1jex n GLU 38 Cb 0.53 -1.50 -0.04 0.00 -0.57 0.00 0.00 31.44 29.86 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 -2.60 3.60 -2.00 -0.32 2.46 0.62 -4.92 115.29 112.13 1jex s HIS 39 Ca 0.24 1.34 0.23 0.00 0.47 0.00 0.00 55.06 57.35 1jex s HIS 39 Cb 0.19 -2.86 1.39 0.00 -0.13 0.00 0.00 32.58 31.18 1jex s HIS 39 CO 0.51 0.08 1.77 -0.35 -2.47 0.00 0.00 174.74 174.28 1jex n PRO 40 N 3.74 0.75 0.00 2.88 -0.04 -1.26 -4.02 135.00 137.05 1jex n PRO 40 Ca -0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1jex n PRO 40 Cb 0.51 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 32.49 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 0.49 0.21 0.00 0.55 0.00 -1.26 -5.09 105.19 100.09 1jex n GLY 41 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 1.51 0.94 0.00 -0.02 0.00 -1.26 -5.00 105.19 101.36 1jex n GLY 42 Ca 0.00 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.19 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 5.46 0.00 1.61 2.13 -1.26 -4.47 120.64 124.11 1jex n GLU 43 Ca 0.00 0.00 0.01 0.00 0.66 0.00 0.00 57.16 57.83 1jex n GLU 43 Cb 0.00 -0.53 0.00 0.00 0.27 0.00 0.00 31.44 31.18 1jex n GLU 43 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1jex n GLU 44 N -0.98 0.96 -0.09 5.31 2.13 -1.26 -4.40 120.64 122.31 1jex n GLU 44 Ca 0.00 -0.43 -0.08 0.00 0.66 0.00 0.00 57.16 57.31 1jex n GLU 44 Cb 0.00 -0.91 -0.16 0.00 0.27 0.00 0.00 31.44 30.64 1jex n GLU 44 CO 0.00 0.00 0.00 1.55 -0.41 0.00 0.00 177.13 178.27 1jex n VAL 45 N -0.20 1.26 0.08 6.31 3.14 -1.26 -2.69 118.33 124.96 1jex n VAL 45 Ca 0.01 -0.82 -0.12 0.00 -2.96 0.00 0.00 64.34 60.45 1jex n VAL 45 Cb 0.02 -0.42 -0.03 0.00 -1.06 0.00 0.00 33.84 32.35 1jex n VAL 45 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 1jex h LEU 46 N 0.00 0.41 0.00 6.55 3.38 -1.81 -3.22 115.31 120.63 1jex h LEU 46 Ca -0.50 -0.34 -0.13 0.00 0.09 0.00 0.00 57.88 57.01 1jex h LEU 46 Cb 2.13 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 42.73 1jex h LEU 46 CO 0.03 1.14 -1.19 0.08 0.09 0.00 0.00 178.44 178.59 1jex h ARG 47 N 0.17 0.00 -0.49 1.13 0.11 -1.77 -3.33 114.38 110.21 1jex h ARG 47 Ca -0.07 0.00 0.14 0.00 0.10 0.00 0.00 59.98 60.15 1jex h ARG 47 Cb 1.57 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.63 1jex h ARG 47 CO 0.15 0.27 0.76 1.49 0.10 0.00 0.00 179.97 182.74 1jex h GLU 48 N 0.00 0.00 -0.28 0.08 4.22 -1.51 1.45 114.58 118.53 1jex h GLU 48 Ca -0.11 0.00 -0.21 0.00 0.08 0.00 0.00 59.36 59.12 1jex h GLU 48 Cb 1.45 0.00 -0.19 0.00 0.50 0.00 0.00 28.75 30.52 1jex h GLU 48 CO 0.04 0.00 -0.66 1.04 -2.18 0.00 0.00 179.01 177.25 1jex n GLN 49 N -3.25 2.25 -1.38 1.92 1.13 -1.25 -4.82 117.38 111.97 1jex n GLN 49 Ca 0.10 -3.56 -0.24 0.00 -1.94 0.00 0.00 57.00 51.36 1jex n GLN 49 Cb 0.93 -1.78 -0.07 0.00 0.11 0.00 0.00 30.24 29.43 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 -0.88 6.37 0.00 -1.58 0.00 0.50 -3.61 120.51 121.31 1jex n ALA 50 Ca 0.27 -2.78 0.00 0.00 0.00 0.00 0.00 53.44 50.93 1jex n ALA 50 Cb 0.82 -2.13 0.00 0.00 0.00 0.00 0.00 19.45 18.13 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 1.10 0.04 0.00 0.00 0.00 -1.26 -4.34 105.19 100.74 1jex n GLY 51 Ca 0.47 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.46 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 -0.44 2.75 3.36 -0.02 0.00 -1.24 -4.88 105.19 104.72 1jex n GLY 52 Ca 0.00 -1.30 -0.36 0.00 0.00 0.00 0.00 46.02 44.36 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 -0.20 4.66 0.05 1.61 -4.77 -1.26 -3.89 116.67 112.87 1jex s ASP 53 Ca 0.00 -0.37 0.22 0.00 -3.30 0.00 0.00 52.55 49.10 1jex s ASP 53 Cb 0.00 -1.81 -0.13 0.00 -1.09 0.00 0.00 42.92 39.89 1jex s ASP 53 CO 0.00 -0.04 0.81 0.00 0.70 0.00 0.00 175.17 176.64 1jex n ALA 54 N 4.84 3.09 -0.31 2.11 0.00 -0.92 -4.18 120.51 125.15 1jex n ALA 54 Ca -0.17 -0.43 0.22 0.00 0.00 0.00 0.00 53.44 53.07 1jex n ALA 54 Cb 0.51 -0.90 0.51 0.00 0.00 0.00 0.00 19.45 19.57 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 0.56 -0.18 0.00 1.03 -1.91 2.64 112.91 115.04 1jex h THR 55 Ca 0.00 -0.13 -0.01 0.00 -0.01 0.00 0.00 66.41 66.26 1jex h THR 55 Cb 0.87 0.13 -0.01 0.00 -1.07 0.00 0.00 68.15 68.07 1jex h THR 55 CO 0.00 0.07 0.08 1.05 -0.01 0.00 0.00 175.52 176.72 1jex h GLU 56 N 0.39 0.27 0.09 0.00 4.11 -1.92 0.93 114.58 118.44 1jex h GLU 56 Ca 0.57 -0.04 -0.26 0.00 0.07 0.00 0.00 59.36 59.70 1jex h GLU 56 Cb 1.45 -0.05 0.01 0.00 0.50 0.00 0.00 28.75 30.66 1jex h GLU 56 CO -0.26 0.31 -1.14 -0.91 0.07 0.00 0.00 179.01 177.08 1jex h ASN 57 N 0.16 0.48 -0.59 3.06 2.35 -0.89 -1.70 115.58 118.46 1jex h ASN 57 Ca 0.06 -0.47 -0.09 0.00 -0.55 0.00 0.00 56.30 55.25 1jex h ASN 57 Cb 0.13 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.33 1jex h ASN 57 CO -0.01 1.32 0.02 0.15 -1.65 0.00 0.00 177.43 177.26 1jex h PHE 58 N 0.13 1.13 0.00 1.19 3.04 0.46 -2.45 116.94 120.45 1jex h PHE 58 Ca -0.12 -0.18 0.00 0.00 3.98 0.00 0.00 57.97 61.65 1jex h PHE 58 Cb 1.83 -0.30 0.00 0.00 2.56 0.00 0.00 35.95 40.04 1jex h PHE 58 CO 0.07 0.99 -0.03 1.05 -2.02 0.00 0.00 178.31 178.37 1jex h GLU 59 N 0.96 0.00 0.50 1.11 -0.00 0.86 -3.22 114.58 114.78 1jex h GLU 59 Ca 0.18 0.00 -0.02 0.00 -0.00 0.00 0.00 59.36 59.51 1jex h GLU 59 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.28 1jex h GLU 59 CO 0.03 0.00 -0.24 0.22 -0.00 0.00 0.00 179.01 179.02 1jex h ASP 60 N 0.00 -0.57 0.00 3.06 3.58 -0.84 -2.16 116.42 119.50 1jex h ASP 60 Ca 0.00 -0.06 0.00 0.00 0.42 0.00 0.00 57.03 57.39 1jex h ASP 60 Cb 1.00 0.15 0.00 0.00 1.72 0.00 0.00 39.33 42.20 1jex h ASP 60 CO 0.00 -0.26 0.00 1.62 -2.88 0.00 0.00 179.24 177.72 1jex h VAL 61 N -0.88 0.00 -4.38 2.25 3.04 -1.58 -3.46 116.25 111.24 1jex h VAL 61 Ca -0.07 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.62 1jex h VAL 61 Cb 0.59 0.96 0.00 0.00 -2.01 0.00 0.00 31.29 30.83 1jex h VAL 61 CO 0.11 0.00 -0.25 0.61 -1.01 0.00 0.00 177.57 177.03 1jex n GLY 62 N -1.10 -1.03 3.76 3.17 0.00 -0.81 -4.97 105.19 104.21 1jex n GLY 62 Ca -0.03 0.63 -0.40 0.00 0.00 0.00 0.00 46.02 46.22 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 -2.15 3.37 0.86 1.61 3.76 -1.24 -4.99 115.29 116.51 1jex s HIS 63 Ca 0.12 1.59 -0.11 0.00 -0.15 0.00 0.00 55.06 56.52 1jex s HIS 63 Cb -0.03 -3.44 0.12 0.00 1.11 0.00 0.00 32.58 30.33 1jex s HIS 63 CO 0.46 -1.06 1.15 -1.12 -0.85 0.00 0.00 174.74 173.32 1jex s SER 64 N -0.73 3.37 0.00 1.40 0.01 -1.26 -4.85 113.70 111.63 1jex s SER 64 Ca 0.46 2.15 0.13 0.00 1.31 0.00 0.00 55.95 60.00 1jex s SER 64 Cb -0.35 -2.56 0.61 0.00 0.21 0.00 0.00 66.02 63.93 1jex s SER 64 CO 0.46 -2.81 1.35 0.41 0.41 0.00 0.00 173.24 173.06 1jex n THR 65 N -3.90 0.82 0.61 1.44 -1.04 -1.26 -1.06 114.28 109.89 1jex n THR 65 Ca 0.12 0.20 0.09 0.00 -2.04 0.00 0.00 64.05 62.42 1jex n THR 65 Cb 0.52 -0.99 0.26 0.00 -1.82 0.00 0.00 70.33 68.30 1jex n THR 65 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1jex n ASP 66 N -1.36 2.53 -0.00 8.00 8.00 -1.26 -3.80 116.55 128.66 1jex n ASP 66 Ca 0.05 -1.93 -0.13 0.00 0.71 0.00 0.00 54.79 53.49 1jex n ASP 66 Cb 0.12 -0.26 -0.14 0.00 -0.02 0.00 0.00 41.12 40.82 1jex n ASP 66 CO 0.00 0.00 0.00 1.62 -0.39 0.00 0.00 177.20 178.43 1jex h VAL 67 N 2.98 0.85 -0.70 2.53 3.04 -1.43 -3.17 116.25 120.34 1jex h VAL 67 Ca 0.00 -2.63 0.09 0.00 -1.01 0.00 0.00 66.70 63.15 1jex h VAL 67 Cb 0.67 2.50 -0.04 0.00 -2.01 0.00 0.00 31.29 32.40 1jex h VAL 67 CO 0.00 0.66 0.46 -0.09 -1.01 0.00 0.00 177.57 177.59 1jex h ARG 68 N 0.03 0.57 0.00 4.17 9.65 -1.73 0.56 114.38 127.63 1jex h ARG 68 Ca -0.31 -0.03 -0.16 0.00 -1.10 0.00 0.00 59.98 58.38 1jex h ARG 68 Cb 2.01 -0.13 -0.02 0.00 -1.39 0.00 0.00 29.97 30.44 1jex h ARG 68 CO 0.09 0.38 -0.87 1.05 2.80 0.00 0.00 179.97 183.42 1jex h GLU 69 N 0.58 0.00 0.00 0.20 4.11 -1.79 -3.37 114.58 114.32 1jex h GLU 69 Ca 0.32 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.75 1jex h GLU 69 Cb 0.47 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.72 1jex h GLU 69 CO -0.11 0.62 0.00 1.28 0.07 0.00 0.00 179.01 180.88 1jex n LEU 70 N -3.20 0.00 -3.12 3.06 7.99 0.17 -2.47 117.00 119.43 1jex n LEU 70 Ca -0.02 0.95 -0.24 0.00 -0.01 0.00 0.00 56.01 56.70 1jex n LEU 70 Cb 0.83 -0.45 -0.03 0.00 -0.11 0.00 0.00 43.42 43.67 1jex n LEU 70 CO 0.43 -0.45 2.46 -1.54 -1.51 0.00 0.00 177.39 176.78 1jex n SER 71 N -2.20 5.49 -0.02 -1.43 3.41 -1.09 -4.26 113.62 113.53 1jex n SER 71 Ca 0.00 -2.35 -0.20 0.00 -0.26 0.00 0.00 58.87 56.06 1jex n SER 71 Cb 0.00 -1.16 -0.13 0.00 -0.26 0.00 0.00 64.21 62.65 1jex n SER 71 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1jex h LYS 72 N 5.91 0.18 0.00 4.33 1.79 -1.69 -3.35 116.57 123.74 1jex h LYS 72 Ca 0.53 -0.30 0.00 0.00 -2.18 0.00 0.00 60.65 58.70 1jex h LYS 72 Cb 0.24 0.11 0.00 0.00 -1.58 0.00 0.00 32.23 31.01 1jex h LYS 72 CO 1.42 1.14 -0.73 2.41 -1.08 0.00 0.00 179.45 182.61 1jex n THR 73 N -4.11 0.03 0.09 -0.16 -1.04 -1.26 -3.89 114.28 103.94 1jex n THR 73 Ca -0.23 -0.04 0.04 0.00 -2.04 0.00 0.00 64.05 61.78 1jex n THR 73 Cb 0.80 0.48 0.22 0.00 -1.82 0.00 0.00 70.33 70.01 1jex n THR 73 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 1jex n TYR 74 N -1.57 1.04 -3.22 -1.42 4.01 -1.26 -4.90 117.16 109.85 1jex n TYR 74 Ca 0.05 -0.38 -0.31 0.00 -0.16 0.00 0.00 57.90 57.10 1jex n TYR 74 Cb 0.35 -0.27 -0.05 0.00 -0.31 0.00 0.00 39.34 39.06 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 -1.88 4.83 -0.02 -0.72 -1.09 -1.25 0.12 121.20 121.19 1jex s ILE 75 Ca 0.29 0.61 -0.00 0.00 -2.23 0.00 0.00 60.65 59.33 1jex s ILE 75 Cb 0.21 -3.65 -0.01 0.00 -1.58 0.00 0.00 42.46 37.44 1jex s ILE 75 CO 0.10 -0.21 -0.02 2.30 -1.23 0.00 0.00 174.94 175.88 1jex n ILE 76 N -0.50 0.10 0.00 2.92 -5.35 -1.21 -4.61 119.36 110.71 1jex n ILE 76 Ca 0.02 -0.03 0.00 0.00 -0.27 0.00 0.00 62.75 62.46 1jex n ILE 76 Cb 0.53 -0.91 0.00 0.00 -1.74 0.00 0.00 39.64 37.52 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 3.22 0.05 3.50 3.28 0.00 -1.16 -4.54 105.19 109.56 1jex n GLY 77 Ca -0.03 -0.21 0.01 0.00 0.00 0.00 0.00 46.02 45.78 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 0.42 0.92 1.61 -1.05 -1.26 -2.77 118.70 116.58 1jex s GLU 78 Ca 0.00 1.05 -0.14 0.00 -0.15 0.00 0.00 54.97 55.73 1jex s GLU 78 Cb 0.00 0.63 -0.01 0.00 -0.44 0.00 0.00 34.13 34.32 1jex s GLU 78 CO 0.00 -0.16 0.22 1.47 0.95 0.00 0.00 175.26 177.74 1jex n LEU 79 N 5.20 -1.09 -3.28 1.83 -0.00 -1.26 -4.20 117.00 114.20 1jex n LEU 79 Ca -0.10 0.34 -0.36 0.00 -0.00 0.00 0.00 56.01 55.89 1jex n LEU 79 Cb 0.51 -1.13 -0.02 0.00 -0.00 0.00 0.00 43.42 42.78 1jex n LEU 79 CO -0.04 -3.98 -0.02 1.57 -0.00 0.00 0.00 177.39 174.92 1jex n HIS 80 N -3.23 -0.41 0.19 1.47 -0.00 -0.18 -4.70 115.22 108.36 1jex n HIS 80 Ca 0.06 0.71 0.07 0.00 -0.00 0.00 0.00 57.72 58.57 1jex n HIS 80 Cb 0.53 -1.46 0.28 0.00 -0.00 0.00 0.00 29.99 29.35 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 0.73 0.00 0.06 1.57 0.13 -1.93 -0.80 132.00 131.75 1jex h PRO 81 Ca -0.21 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.65 1jex h PRO 81 Cb 1.07 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.23 1jex h PRO 81 CO 0.42 0.30 -1.10 0.22 -0.23 0.00 0.00 178.00 177.62 1jex h ASP 82 N 0.00 0.86 1.06 1.44 3.58 -2.00 -3.05 116.42 118.31 1jex h ASP 82 Ca -0.00 -0.78 -0.10 0.00 0.42 0.00 0.00 57.03 56.56 1jex h ASP 82 Cb 0.99 -0.27 -0.01 0.00 1.72 0.00 0.00 39.33 41.76 1jex h ASP 82 CO 0.04 1.55 -0.46 0.44 -2.88 0.00 0.00 179.24 177.92 1jex h ASP 83 N 0.28 0.00 -0.03 2.28 5.19 -1.89 -2.95 116.42 119.30 1jex h ASP 83 Ca -0.15 0.00 -0.06 0.00 -0.62 0.00 0.00 57.03 56.20 1jex h ASP 83 Cb 1.77 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 41.27 1jex h ASP 83 CO 0.21 0.46 -0.12 -0.09 -3.12 0.00 0.00 179.24 176.58 1jex h ARG 84 N 0.00 0.33 0.00 3.56 1.12 -1.12 -1.04 114.38 117.23 1jex h ARG 84 Ca -0.00 -0.08 0.00 0.00 -1.11 0.00 0.00 59.98 58.78 1jex h ARG 84 Cb 1.12 -0.04 0.00 0.00 -0.01 0.00 0.00 29.97 31.04 1jex h ARG 84 CO 0.06 0.46 -0.26 0.45 -3.11 0.00 0.00 179.97 177.57 1jex n SER 85 N -4.25 0.36 0.06 -3.80 2.88 -1.13 -3.44 113.62 104.30 1jex n SER 85 Ca -0.00 0.19 -0.11 0.00 -1.33 0.00 0.00 58.87 57.62 1jex n SER 85 Cb 0.29 -0.18 -0.01 0.00 -0.75 0.00 0.00 64.21 63.56 1jex n SER 85 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 1jex h LYS 86 N 0.00 0.40 0.00 -1.46 1.57 -1.05 -2.72 116.57 113.32 1jex h LYS 86 Ca 0.00 -0.38 0.00 0.00 -1.87 0.00 0.00 60.65 58.40 1jex h LYS 86 Cb 0.56 0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.96 1jex h LYS 86 CO 0.00 1.03 0.00 -0.89 -0.57 0.00 0.00 179.45 179.02 1jex n ILE 87 N -3.79 1.02 0.00 1.86 5.41 -1.11 -5.11 119.36 117.63 1jex n ILE 87 Ca -0.05 0.62 0.00 0.00 1.00 0.00 0.00 62.75 64.32 1jex n ILE 87 Cb 0.77 -1.61 0.00 0.00 -0.71 0.00 0.00 39.64 38.09 1jex n ILE 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55