#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 4.41 -0.71 1.45 2.20 -1.26 -4.98 119.74 120.84 1jex s LYS 5 Ca 0.00 0.96 -0.18 0.00 -0.36 0.00 0.00 55.97 56.39 1jex s LYS 5 Cb 0.00 -3.27 0.13 0.00 -1.51 0.00 0.00 37.83 33.17 1jex s LYS 5 CO 0.00 0.54 0.83 0.71 -0.36 0.00 0.00 175.35 177.08 1jex s TYR 6 N -0.91 3.12 -0.17 4.03 2.02 -1.26 -4.32 117.35 119.85 1jex s TYR 6 Ca 0.33 -1.19 -0.06 0.00 -0.37 0.00 0.00 57.07 55.79 1jex s TYR 6 Cb -0.21 -4.07 -0.04 0.00 -0.40 0.00 0.00 41.96 37.24 1jex s TYR 6 CO 0.22 -1.32 0.02 1.52 -1.57 0.00 0.00 175.55 174.42 1jex s TYR 7 N 2.41 3.16 0.57 2.71 -0.85 -1.26 -4.32 117.35 119.77 1jex s TYR 7 Ca 0.18 -0.08 -0.14 0.00 -0.52 0.00 0.00 57.07 56.51 1jex s TYR 7 Cb -0.17 -2.03 -0.06 0.00 0.38 0.00 0.00 41.96 40.08 1jex s TYR 7 CO 0.01 0.07 1.01 0.95 -1.52 0.00 0.00 175.55 176.06 1jex s THR 8 N 0.39 4.63 0.43 -3.49 -4.23 -1.26 -0.63 115.64 111.48 1jex s THR 8 Ca 0.00 1.04 0.35 0.00 -1.18 0.00 0.00 61.69 61.91 1jex s THR 8 Cb -0.13 -3.80 0.53 0.00 1.34 0.00 0.00 72.50 70.44 1jex s THR 8 CO 0.01 -0.93 1.35 0.18 -0.54 0.00 0.00 174.62 174.70 1jex n LEU 9 N -2.18 0.10 -0.09 4.79 4.32 -1.26 0.22 117.00 122.90 1jex n LEU 9 Ca 0.06 1.04 0.25 0.00 -0.02 0.00 0.00 56.01 57.34 1jex n LEU 9 Cb 0.54 -0.51 0.54 0.00 -1.62 0.00 0.00 43.42 42.36 1jex n LEU 9 CO 0.52 -1.10 1.23 -0.08 -1.22 0.00 0.00 177.39 176.74 1jex h GLU 10 N 0.00 0.00 0.00 3.23 4.81 -1.99 1.21 114.58 121.84 1jex h GLU 10 Ca 0.79 0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 59.87 1jex h GLU 10 Cb 2.84 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 32.20 1jex h GLU 10 CO -0.22 0.00 -1.35 0.39 -0.73 0.00 0.00 179.01 177.11 1jex n GLU 11 N -3.36 0.53 -0.35 1.92 -0.58 0.61 -3.91 120.64 115.50 1jex n GLU 11 Ca 0.17 0.33 0.15 0.00 -0.42 0.00 0.00 57.16 57.39 1jex n GLU 11 Cb 1.20 -1.54 0.35 0.00 -0.57 0.00 0.00 31.44 30.89 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 0.65 -0.91 -3.67 2.04 -1.14 0.44 117.51 113.92 1jex h ILE 12 Ca -0.23 -0.24 0.01 0.00 1.00 0.00 0.00 64.86 65.40 1jex h ILE 12 Cb 1.10 -0.09 -0.04 0.00 -0.74 0.00 0.00 36.82 37.04 1jex h ILE 12 CO -0.14 0.13 0.60 1.56 0.00 0.00 0.00 178.15 180.29 1jex h GLN 13 N 0.69 1.20 0.00 2.37 1.08 0.12 0.21 115.11 120.78 1jex h GLN 13 Ca 0.59 -0.08 0.00 0.00 -1.45 0.00 0.00 58.65 57.72 1jex h GLN 13 Cb 1.02 -0.27 0.00 0.00 -0.05 0.00 0.00 27.48 28.18 1jex h GLN 13 CO -0.39 0.80 0.00 1.63 -0.95 0.00 0.00 178.83 179.92 1jex n LYS 14 N -4.45 0.49 -2.00 1.46 4.76 0.14 -2.99 118.16 115.58 1jex n LYS 14 Ca 0.10 0.04 -0.32 0.00 -2.87 0.00 0.00 58.31 55.26 1jex n LYS 14 Cb 0.02 -1.50 0.03 0.00 -1.84 0.00 0.00 35.03 31.74 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 -1.17 3.12 -2.17 2.13 8.25 0.74 -4.72 115.22 121.41 1jex n HIS 15 Ca 0.13 -2.69 -0.33 0.00 -0.26 0.00 0.00 57.72 54.58 1jex n HIS 15 Cb 0.14 -0.74 0.02 0.00 1.12 0.00 0.00 29.99 30.53 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 -0.62 3.10 -3.85 -0.41 4.81 -1.13 -3.27 118.16 116.78 1jex n LYS 16 Ca 0.49 -4.00 -0.12 0.00 -0.87 0.00 0.00 58.31 53.81 1jex n LYS 16 Cb 0.58 -2.26 -0.10 0.00 0.02 0.00 0.00 35.03 33.27 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 -2.34 -0.03 0.26 3.14 1.01 -0.95 -5.01 116.67 112.75 1jex s ASP 17 Ca 0.50 -0.07 -0.03 0.00 0.71 0.00 0.00 52.55 53.66 1jex s ASP 17 Cb 0.42 0.24 0.53 0.00 1.01 0.00 0.00 42.92 45.13 1jex s ASP 17 CO -0.29 -0.31 1.40 -1.54 0.21 0.00 0.00 175.17 174.65 1jex n SER 18 N 1.78 -0.23 -0.06 0.27 3.41 -1.26 0.53 113.62 118.06 1jex n SER 18 Ca -0.20 1.53 -0.13 0.00 -0.26 0.00 0.00 58.87 59.80 1jex n SER 18 Cb 0.56 -0.50 -0.09 0.00 -0.26 0.00 0.00 64.21 63.92 1jex n SER 18 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1jex h LYS 19 N 0.00 -0.44 -4.14 4.33 3.11 -1.96 -3.36 116.57 114.11 1jex h LYS 19 Ca 0.48 0.03 -0.61 0.00 -2.81 0.00 0.00 60.65 57.74 1jex h LYS 19 Cb 0.86 0.10 -0.39 0.00 -1.00 0.00 0.00 32.23 31.79 1jex h LYS 19 CO -0.89 -0.30 -0.75 0.45 -2.81 0.00 0.00 179.45 175.15 1jex s SER 20 N -4.73 4.18 -0.14 4.20 0.15 0.19 -4.86 113.70 112.69 1jex s SER 20 Ca -0.14 -1.65 -0.00 0.00 0.70 0.00 0.00 55.95 54.86 1jex s SER 20 Cb 0.07 -1.19 0.03 0.00 -1.71 0.00 0.00 66.02 63.22 1jex s SER 20 CO 0.56 -0.35 -0.09 -0.89 1.20 0.00 0.00 173.24 173.66 1jex s THR 21 N 1.34 1.22 0.49 6.45 2.01 -1.01 -2.23 115.64 123.90 1jex s THR 21 Ca 0.05 -0.47 0.01 0.00 0.31 0.00 0.00 61.69 61.59 1jex s THR 21 Cb -0.18 -1.23 0.01 0.00 0.01 0.00 0.00 72.50 71.10 1jex s THR 21 CO -0.14 0.34 0.05 0.79 -0.69 0.00 0.00 174.62 174.97 1jex n TRP 22 N 4.87 0.90 -3.15 4.92 8.01 -1.20 -2.05 117.44 129.75 1jex n TRP 22 Ca -0.14 -2.36 0.04 0.00 -1.31 0.00 0.00 57.50 53.73 1jex n TRP 22 Cb 0.49 -0.33 -0.00 0.00 -2.01 0.00 0.00 31.31 29.46 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 -2.72 -0.99 -0.39 -0.99 -7.23 -1.04 -4.04 120.40 102.99 1jex s VAL 23 Ca 0.04 0.00 -0.27 0.00 -1.81 0.00 0.00 61.98 59.93 1jex s VAL 23 Cb -0.00 -1.00 -0.04 0.00 0.56 0.00 0.00 36.38 35.90 1jex s VAL 23 CO 0.02 0.00 2.05 -0.51 -0.31 0.00 0.00 175.10 176.36 1jex s ILE 24 N 2.84 3.23 -0.10 -0.62 1.10 -1.25 -3.04 121.20 123.36 1jex s ILE 24 Ca 0.14 0.20 0.01 0.00 -0.51 0.00 0.00 60.65 60.50 1jex s ILE 24 Cb -0.12 -3.39 0.02 0.00 0.15 0.00 0.00 42.46 39.11 1jex s ILE 24 CO -0.24 -0.31 -0.11 -1.48 -2.11 0.00 0.00 174.94 170.69 1jex s LEU 25 N 8.84 1.51 -0.99 8.50 0.05 0.41 -3.39 118.68 133.60 1jex s LEU 25 Ca 0.87 -0.34 -0.03 0.00 0.05 0.00 0.00 54.13 54.68 1jex s LEU 25 Cb -0.22 -0.91 0.00 0.00 -2.05 0.00 0.00 46.19 43.01 1jex s LEU 25 CO 0.30 -0.03 0.36 1.57 -0.55 0.00 0.00 176.35 178.00 1jex n HIS 26 N 4.35 -1.20 -0.91 3.48 -0.00 -1.26 -1.36 115.22 118.31 1jex n HIS 26 Ca -0.18 0.31 0.00 0.00 -0.00 0.00 0.00 57.72 57.84 1jex n HIS 26 Cb 0.51 -3.19 0.00 0.00 -0.00 0.00 0.00 29.99 27.31 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 -4.04 0.00 -5.00 1.57 8.25 -1.26 -4.96 115.22 109.77 1jex n HIS 27 Ca -0.08 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.07 1jex n HIS 27 Cb 0.58 -0.91 -0.17 0.00 1.12 0.00 0.00 29.99 30.61 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 -0.82 2.80 -0.16 -0.41 1.02 -0.47 -4.32 119.74 117.38 1jex s LYS 28 Ca 0.00 -0.79 -0.15 0.00 0.02 0.00 0.00 55.97 55.05 1jex s LYS 28 Cb 0.00 -2.16 -0.04 0.00 -0.52 0.00 0.00 37.83 35.10 1jex s LYS 28 CO 0.00 0.12 0.35 0.54 -0.92 0.00 0.00 175.35 175.43 1jex s VAL 29 N 0.49 5.27 -0.13 3.17 0.11 -1.13 0.16 120.40 128.34 1jex s VAL 29 Ca -0.16 0.66 0.02 0.00 -2.93 0.00 0.00 61.98 59.57 1jex s VAL 29 Cb -0.17 -3.69 -0.00 0.00 -1.53 0.00 0.00 36.38 30.99 1jex s VAL 29 CO 0.06 0.36 -0.18 -0.31 -3.33 0.00 0.00 175.10 171.69 1jex s TYR 30 N 0.61 2.71 -0.93 1.54 1.51 -1.17 -2.89 117.35 118.73 1jex s TYR 30 Ca 0.19 -1.04 -0.24 0.00 -1.01 0.00 0.00 57.07 54.97 1jex s TYR 30 Cb -0.14 -1.82 0.04 0.00 -0.11 0.00 0.00 41.96 39.94 1jex s TYR 30 CO 0.06 -0.44 1.40 0.34 -1.11 0.00 0.00 175.55 175.79 1jex s ASP 31 N 0.61 6.39 -0.17 2.29 2.15 -0.17 -2.49 116.67 125.27 1jex s ASP 31 Ca -0.10 -1.13 0.07 0.00 0.43 0.00 0.00 52.55 51.82 1jex s ASP 31 Cb -0.16 -2.57 0.47 0.00 -0.30 0.00 0.00 42.92 40.36 1jex s ASP 31 CO 0.03 -1.61 1.32 0.18 -0.17 0.00 0.00 175.17 174.91 1jex n LEU 32 N 9.04 4.16 0.21 -1.34 4.77 -0.87 -3.99 117.00 128.98 1jex n LEU 32 Ca 0.23 -2.13 0.10 0.00 -0.03 0.00 0.00 56.01 54.18 1jex n LEU 32 Cb 0.50 -0.63 0.21 0.00 -2.33 0.00 0.00 43.42 41.17 1jex n LEU 32 CO 0.68 0.56 0.74 0.00 -1.33 0.00 0.00 177.39 178.03 1jex h THR 33 N 1.99 0.27 0.00 -5.08 1.03 -1.79 -0.04 112.91 109.29 1jex h THR 33 Ca 0.09 -1.28 -0.13 0.00 -0.01 0.00 0.00 66.41 65.08 1jex h THR 33 Cb 1.56 2.04 -0.02 0.00 -1.07 0.00 0.00 68.15 70.66 1jex h THR 33 CO 0.38 0.15 -0.94 1.17 -0.01 0.00 0.00 175.52 176.26 1jex n LYS 34 N -3.16 0.51 -0.03 0.00 4.81 -1.26 -4.11 118.16 114.93 1jex n LYS 34 Ca 0.03 0.55 0.01 0.00 -0.87 0.00 0.00 58.31 58.03 1jex n LYS 34 Cb 0.55 -1.72 0.03 0.00 0.02 0.00 0.00 35.03 33.92 1jex n LYS 34 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1jex n PHE 35 N -4.51 0.09 -0.16 5.64 -0.00 -1.25 -3.93 117.46 113.33 1jex n PHE 35 Ca -0.21 -0.04 -0.03 0.00 -0.00 0.00 0.00 57.45 57.16 1jex n PHE 35 Cb 0.50 0.00 0.06 0.00 -0.00 0.00 0.00 39.48 40.04 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 0.38 0.18 -0.92 -2.13 6.46 -1.14 0.14 115.31 118.28 1jex h LEU 36 Ca 0.00 0.06 -0.06 0.00 -0.12 0.00 0.00 57.88 57.76 1jex h LEU 36 Cb 0.09 0.04 -0.01 0.00 -0.73 0.00 0.00 40.66 40.05 1jex h LEU 36 CO 0.00 0.13 -0.27 -0.08 -0.62 0.00 0.00 178.44 177.61 1jex h GLU 37 N 0.36 0.00 -0.00 1.25 4.81 -1.84 -2.32 114.58 116.83 1jex h GLU 37 Ca 0.24 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.47 1jex h GLU 37 Cb 0.25 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.63 1jex h GLU 37 CO -0.24 0.27 -0.02 0.39 -0.73 0.00 0.00 179.01 178.68 1jex n GLU 38 N -3.37 1.12 -3.46 1.92 -0.58 0.24 -4.78 120.64 111.74 1jex n GLU 38 Ca 0.00 -0.31 -0.37 0.00 -0.42 0.00 0.00 57.16 56.06 1jex n GLU 38 Cb 0.48 -1.49 -0.07 0.00 -0.57 0.00 0.00 31.44 29.78 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 -2.09 3.43 -1.54 -0.32 2.46 0.24 -4.94 115.29 112.52 1jex s HIS 39 Ca 0.41 0.63 0.23 0.00 0.47 0.00 0.00 55.06 56.81 1jex s HIS 39 Cb 0.21 -2.43 1.21 0.00 -0.13 0.00 0.00 32.58 31.44 1jex s HIS 39 CO 0.38 0.13 1.76 -0.35 -2.47 0.00 0.00 174.74 174.19 1jex n PRO 40 N 3.93 0.41 0.00 2.88 -0.04 -1.26 -4.06 135.00 136.85 1jex n PRO 40 Ca -0.10 0.06 0.00 0.00 -0.04 0.00 0.00 63.50 63.42 1jex n PRO 40 Cb 0.52 -1.50 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 0.62 -1.14 0.00 0.55 0.00 -1.26 -5.07 105.19 98.89 1jex n GLY 41 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 0.69 1.18 0.00 -0.02 0.00 -1.26 -4.99 105.19 100.80 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 3.48 -0.00 1.61 2.13 -1.26 -4.60 120.64 121.99 1jex n GLU 43 Ca 0.00 0.00 0.04 0.00 0.66 0.00 0.00 57.16 57.86 1jex n GLU 43 Cb 0.00 -0.72 -0.06 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 -1.17 0.24 -0.05 5.31 0.00 -1.26 -4.38 120.64 119.33 1jex n GLU 44 Ca 0.00 -0.07 -0.13 0.00 0.00 0.00 0.00 57.16 56.96 1jex n GLU 44 Cb 0.00 -1.18 -0.08 0.00 0.00 0.00 0.00 31.44 30.18 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 1.37 0.71 3.84 3.04 -1.94 0.33 116.25 123.60 1jex h VAL 45 Ca -0.00 -1.37 -0.03 0.00 -1.01 0.00 0.00 66.70 64.29 1jex h VAL 45 Cb 0.35 2.01 -0.01 0.00 -2.01 0.00 0.00 31.29 31.63 1jex h VAL 45 CO 0.00 0.40 -0.45 -0.07 -1.01 0.00 0.00 177.57 176.43 1jex h LEU 46 N -0.11 -1.15 -1.99 3.16 3.38 -1.81 -1.97 115.31 114.82 1jex h LEU 46 Ca 0.01 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 1jex h LEU 46 Cb 0.71 0.34 -0.00 0.00 0.09 0.00 0.00 40.66 41.79 1jex h LEU 46 CO 0.04 -0.69 -0.07 0.08 0.09 0.00 0.00 178.44 177.88 1jex h ARG 47 N -1.10 0.00 -1.07 1.13 0.11 -1.76 -1.94 114.38 109.75 1jex h ARG 47 Ca -0.09 0.00 0.31 0.00 0.10 0.00 0.00 59.98 60.30 1jex h ARG 47 Cb 0.89 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 31.93 1jex h ARG 47 CO 0.08 0.07 0.92 1.49 0.10 0.00 0.00 179.97 182.63 1jex h GLU 48 N 0.00 0.00 0.00 0.08 4.57 0.48 1.33 114.58 121.03 1jex h GLU 48 Ca -0.00 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.17 1jex h GLU 48 Cb 0.14 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.72 1jex h GLU 48 CO 0.01 0.00 -0.21 1.04 -1.18 0.00 0.00 179.01 178.67 1jex n GLN 49 N -3.81 1.15 -1.35 1.92 1.13 -0.74 -4.86 117.38 110.84 1jex n GLN 49 Ca 0.23 -2.55 -0.37 0.00 -1.94 0.00 0.00 57.00 52.38 1jex n GLN 49 Cb 1.27 -1.35 -0.04 0.00 0.11 0.00 0.00 30.24 30.23 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 -1.12 7.42 0.00 -1.58 0.00 0.45 -3.04 120.51 122.64 1jex n ALA 50 Ca 0.14 -3.44 0.00 0.00 0.00 0.00 0.00 53.44 50.15 1jex n ALA 50 Cb 0.68 -3.23 0.00 0.00 0.00 0.00 0.00 19.45 16.90 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 3.31 0.10 0.00 0.00 0.00 -1.26 -4.26 105.19 103.08 1jex n GLY 51 Ca 0.74 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.71 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 -0.71 1.85 3.34 -0.02 0.00 -1.17 -4.84 105.19 103.63 1jex n GLY 52 Ca 0.00 -0.51 -0.36 0.00 0.00 0.00 0.00 46.02 45.15 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 -0.12 4.75 0.18 1.61 -4.77 -1.26 -3.86 116.67 113.20 1jex s ASP 53 Ca 0.00 -0.52 0.22 0.00 -3.30 0.00 0.00 52.55 48.95 1jex s ASP 53 Cb 0.00 -1.82 -0.03 0.00 -1.09 0.00 0.00 42.92 39.99 1jex s ASP 53 CO 0.00 -0.09 1.00 0.00 0.70 0.00 0.00 175.17 176.78 1jex n ALA 54 N 4.83 2.45 -0.10 2.11 0.00 -1.22 -3.91 120.51 124.68 1jex n ALA 54 Ca -0.16 -0.28 0.27 0.00 0.00 0.00 0.00 53.44 53.27 1jex n ALA 54 Cb 0.50 -1.08 0.70 0.00 0.00 0.00 0.00 19.45 19.56 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 0.35 -0.12 0.00 1.03 -1.91 2.79 112.91 115.06 1jex h THR 55 Ca -0.02 0.00 -0.15 0.00 -0.01 0.00 0.00 66.41 66.23 1jex h THR 55 Cb 1.07 0.47 0.01 0.00 -1.07 0.00 0.00 68.15 68.63 1jex h THR 55 CO 0.01 0.00 -0.51 1.05 -0.01 0.00 0.00 175.52 176.05 1jex h GLU 56 N 0.00 0.55 0.04 0.00 4.11 -1.94 -0.20 114.58 117.14 1jex h GLU 56 Ca 0.37 -0.44 -0.26 0.00 0.07 0.00 0.00 59.36 59.10 1jex h GLU 56 Cb 1.76 0.09 -0.03 0.00 0.50 0.00 0.00 28.75 31.07 1jex h GLU 56 CO -0.00 1.06 -1.31 -0.91 0.07 0.00 0.00 179.01 177.92 1jex h ASN 57 N 0.17 0.13 -0.45 3.06 4.21 -0.15 -2.67 115.58 119.87 1jex h ASN 57 Ca -0.03 -0.17 -0.13 0.00 1.21 0.00 0.00 56.30 57.18 1jex h ASN 57 Cb 1.15 -0.04 -0.01 0.00 -1.12 0.00 0.00 38.32 38.29 1jex h ASN 57 CO 0.11 1.14 -0.22 0.15 -1.29 0.00 0.00 177.43 177.31 1jex h PHE 58 N 0.02 1.11 0.00 1.19 3.04 0.46 -2.72 116.94 120.04 1jex h PHE 58 Ca -0.14 -0.27 -0.01 0.00 3.98 0.00 0.00 57.97 61.53 1jex h PHE 58 Cb 1.90 -0.26 -0.00 0.00 2.56 0.00 0.00 35.95 40.15 1jex h PHE 58 CO 0.02 1.08 -0.06 1.05 -2.02 0.00 0.00 178.31 178.39 1jex h GLU 59 N 0.83 0.00 0.63 1.11 -0.00 -1.12 -3.20 114.58 112.83 1jex h GLU 59 Ca 0.11 0.00 -0.03 0.00 -0.00 0.00 0.00 59.36 59.44 1jex h GLU 59 Cb 0.79 0.00 0.01 0.00 -0.00 0.00 0.00 28.75 29.55 1jex h GLU 59 CO 0.07 0.06 -0.30 0.22 -0.00 0.00 0.00 179.01 179.05 1jex h ASP 60 N 0.00 -0.72 0.00 3.06 3.58 -1.16 -1.94 116.42 119.24 1jex h ASP 60 Ca -0.00 -0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.43 1jex h ASP 60 Cb 0.98 0.19 0.00 0.00 1.72 0.00 0.00 39.33 42.21 1jex h ASP 60 CO 0.01 -0.42 0.00 1.62 -2.88 0.00 0.00 179.24 177.57 1jex h VAL 61 N -0.99 0.00 -4.41 2.25 3.04 -1.59 -3.46 116.25 111.08 1jex h VAL 61 Ca -0.09 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.60 1jex h VAL 61 Cb 0.69 0.87 0.00 0.00 -2.01 0.00 0.00 31.29 30.84 1jex h VAL 61 CO 0.14 0.00 -0.24 0.61 -1.01 0.00 0.00 177.57 177.08 1jex n GLY 62 N -1.13 -1.03 3.76 3.17 0.00 -0.73 -4.97 105.19 104.25 1jex n GLY 62 Ca -0.03 0.61 -0.40 0.00 0.00 0.00 0.00 46.02 46.21 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 -2.22 3.50 0.99 1.61 3.76 -1.24 -4.97 115.29 116.72 1jex s HIS 63 Ca 0.12 1.66 -0.17 0.00 -0.15 0.00 0.00 55.06 56.52 1jex s HIS 63 Cb -0.03 -3.33 -0.09 0.00 1.11 0.00 0.00 32.58 30.24 1jex s HIS 63 CO 0.47 -0.73 -0.48 -1.13 -0.85 0.00 0.00 174.74 172.02 1jex n SER 64 N 1.11 -4.42 0.02 1.40 3.41 -1.26 -4.82 113.62 109.05 1jex n SER 64 Ca -0.01 0.19 0.13 0.00 -0.26 0.00 0.00 58.87 58.93 1jex n SER 64 Cb 0.44 -0.88 0.55 0.00 -0.26 0.00 0.00 64.21 64.07 1jex n SER 64 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 1jex n THR 65 N -3.01 0.22 -0.37 6.66 5.66 -1.26 -2.49 114.28 119.69 1jex n THR 65 Ca 0.01 -0.02 0.12 0.00 -3.05 0.00 0.00 64.05 61.10 1jex n THR 65 Cb 0.57 -0.58 0.33 0.00 -1.55 0.00 0.00 70.33 69.11 1jex n THR 65 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 1jex n ASP 66 N -1.65 3.98 0.09 1.09 9.92 -1.26 -4.19 116.55 124.53 1jex n ASP 66 Ca 0.06 -2.00 -0.23 0.00 -0.53 0.00 0.00 54.79 52.10 1jex n ASP 66 Cb 0.34 -0.50 -0.15 0.00 -0.64 0.00 0.00 41.12 40.17 1jex n ASP 66 CO 0.00 0.00 0.00 1.62 0.13 0.00 0.00 177.20 178.95 1jex h VAL 67 N 4.36 1.29 -0.95 2.53 3.04 -1.81 -3.27 116.25 121.43 1jex h VAL 67 Ca 0.00 -2.59 0.24 0.00 -1.01 0.00 0.00 66.70 63.34 1jex h VAL 67 Cb 1.00 3.03 -0.06 0.00 -2.01 0.00 0.00 31.29 33.24 1jex h VAL 67 CO 0.00 0.78 0.64 -0.09 -1.01 0.00 0.00 177.57 177.89 1jex h ARG 68 N -0.07 0.27 -0.69 4.17 2.43 -1.75 1.57 114.38 120.30 1jex h ARG 68 Ca -0.24 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.92 1jex h ARG 68 Cb 1.95 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 31.44 1jex h ARG 68 CO 0.20 0.18 0.00 -0.85 -1.51 0.00 0.00 179.97 177.99 1jex n GLU 69 N -4.46 3.47 -0.10 0.20 0.28 -1.23 -4.14 120.64 114.66 1jex n GLU 69 Ca 0.21 -2.09 -0.16 0.00 -0.16 0.00 0.00 57.16 54.96 1jex n GLU 69 Cb 0.84 -1.95 -0.06 0.00 1.43 0.00 0.00 31.44 31.71 1jex n GLU 69 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 177.13 176.86 1jex n LEU 70 N 0.48 1.91 -4.56 -1.84 -0.00 0.54 -4.77 117.00 108.76 1jex n LEU 70 Ca 0.19 0.41 -0.25 0.00 -0.00 0.00 0.00 56.01 56.35 1jex n LEU 70 Cb 0.84 -0.82 -0.05 0.00 -0.00 0.00 0.00 43.42 43.39 1jex n LEU 70 CO 0.21 -0.01 1.44 -0.55 -0.00 0.00 0.00 177.39 178.48 1jex s SER 71 N -6.44 4.59 0.00 1.96 0.15 -1.19 -4.44 113.70 108.33 1jex s SER 71 Ca -0.29 -0.00 0.00 0.00 0.70 0.00 0.00 55.95 56.36 1jex s SER 71 Cb 0.07 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.84 1jex s SER 71 CO 0.43 -3.13 0.00 0.29 1.20 0.00 0.00 173.24 172.02 1jex n LYS 72 N 8.91 0.45 -0.01 5.44 4.76 -1.26 -4.70 118.16 131.76 1jex n LYS 72 Ca 0.39 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.83 1jex n LYS 72 Cb 0.47 -0.89 -0.12 0.00 -1.84 0.00 0.00 35.03 32.66 1jex n LYS 72 CO 0.00 0.00 0.00 2.41 -1.37 0.00 0.00 177.40 178.44 1jex n THR 73 N -2.19 0.99 -1.33 -0.18 -1.04 -1.26 -4.19 114.28 105.07 1jex n THR 73 Ca 0.00 -0.69 -0.35 0.00 -2.04 0.00 0.00 64.05 60.97 1jex n THR 73 Cb 0.39 -0.51 0.08 0.00 -1.82 0.00 0.00 70.33 68.47 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 -2.72 3.24 -5.03 -1.42 4.01 -1.26 -4.93 117.16 109.05 1jex n TYR 74 Ca -0.14 -3.03 -0.31 0.00 -0.16 0.00 0.00 57.90 54.25 1jex n TYR 74 Cb 0.86 -1.45 -0.14 0.00 -0.31 0.00 0.00 39.34 38.29 1jex n TYR 74 CO 0.00 0.00 0.00 0.96 -0.46 0.00 0.00 176.86 177.36 1jex s ILE 75 N -4.82 2.52 -0.23 -0.72 -5.25 -1.26 -1.00 121.20 110.43 1jex s ILE 75 Ca 0.65 -1.01 -0.02 0.00 -0.99 0.00 0.00 60.65 59.28 1jex s ILE 75 Cb 0.51 -1.96 -0.14 0.00 2.95 0.00 0.00 42.46 43.82 1jex s ILE 75 CO -0.01 0.53 -0.23 2.30 -1.79 0.00 0.00 174.94 175.74 1jex n ILE 76 N 2.20 1.33 0.00 8.37 -5.35 -1.20 -4.73 119.36 119.97 1jex n ILE 76 Ca -0.16 -0.47 0.00 0.00 -0.27 0.00 0.00 62.75 61.85 1jex n ILE 76 Cb 0.52 -1.44 0.00 0.00 -1.74 0.00 0.00 39.64 36.98 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 2.18 0.07 3.55 3.28 0.00 -1.14 -4.67 105.19 108.45 1jex n GLY 77 Ca -0.43 -0.21 -0.03 0.00 0.00 0.00 0.00 46.02 45.35 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 0.51 1.00 1.61 -1.05 -1.26 -2.83 118.70 116.69 1jex s GLU 78 Ca 0.00 1.35 -0.17 0.00 -0.15 0.00 0.00 54.97 56.00 1jex s GLU 78 Cb 0.00 0.74 -0.05 0.00 -0.44 0.00 0.00 34.13 34.38 1jex s GLU 78 CO 0.00 -0.22 -0.35 1.47 0.95 0.00 0.00 175.26 177.12 1jex n LEU 79 N 5.43 -2.93 -3.50 1.83 -0.00 -1.26 -4.17 117.00 112.41 1jex n LEU 79 Ca -0.11 0.16 -0.35 0.00 -0.00 0.00 0.00 56.01 55.71 1jex n LEU 79 Cb 0.49 -0.92 -0.01 0.00 -0.00 0.00 0.00 43.42 42.99 1jex n LEU 79 CO -0.03 -4.22 -0.26 1.57 -0.00 0.00 0.00 177.39 174.45 1jex n HIS 80 N -3.35 -1.36 0.22 1.47 -0.00 0.20 -4.61 115.22 107.80 1jex n HIS 80 Ca 0.02 0.58 0.11 0.00 -0.00 0.00 0.00 57.72 58.43 1jex n HIS 80 Cb 0.59 -1.48 0.37 0.00 -0.00 0.00 0.00 29.99 29.47 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 0.41 0.00 0.04 1.57 0.13 -1.92 -2.16 132.00 130.07 1jex h PRO 81 Ca -0.28 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1jex h PRO 81 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1jex h PRO 81 CO 0.40 0.14 -0.02 0.22 -0.23 0.00 0.00 178.00 178.51 1jex h ASP 82 N 0.00 -0.05 0.32 1.44 1.82 -2.00 -3.18 116.42 114.76 1jex h ASP 82 Ca -0.00 -0.53 0.00 0.00 -0.39 0.00 0.00 57.03 56.11 1jex h ASP 82 Cb 0.86 0.01 0.00 0.00 0.68 0.00 0.00 39.33 40.88 1jex h ASP 82 CO 0.02 0.67 0.00 0.47 -1.61 0.00 0.00 179.24 178.79 1jex n ASP 83 N -4.75 0.00 0.10 2.28 9.92 -1.23 -2.12 116.55 120.75 1jex n ASP 83 Ca -0.07 0.45 0.06 0.00 -0.53 0.00 0.00 54.79 54.71 1jex n ASP 83 Cb 0.28 -0.47 0.52 0.00 -0.64 0.00 0.00 41.12 40.81 1jex n ASP 83 CO 0.00 0.00 0.00 -0.09 0.13 0.00 0.00 177.20 177.24 1jex h ARG 84 N 0.00 0.30 -0.01 -1.24 2.43 -1.36 0.99 114.38 115.49 1jex h ARG 84 Ca 0.00 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1jex h ARG 84 Cb 0.16 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.64 1jex h ARG 84 CO 0.00 0.20 -0.38 0.45 -1.51 0.00 0.00 179.97 178.73 1jex n SER 85 N -4.50 1.60 0.02 -3.80 2.88 -0.90 -4.08 113.62 104.84 1jex n SER 85 Ca 0.01 -1.25 -0.19 0.00 -1.33 0.00 0.00 58.87 56.11 1jex n SER 85 Cb 0.10 0.33 -0.10 0.00 -0.75 0.00 0.00 64.21 63.79 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 1.91 0.64 0.00 -1.46 1.57 -0.88 -2.85 116.57 115.49 1jex h LYS 86 Ca 0.00 -0.65 0.00 0.00 -1.87 0.00 0.00 60.65 58.13 1jex h LYS 86 Cb 0.65 0.17 0.00 0.00 0.08 0.00 0.00 32.23 33.13 1jex h LYS 86 CO 0.00 1.25 0.00 -0.89 -0.57 0.00 0.00 179.45 179.24 1jex n ILE 87 N -3.98 1.10 0.00 1.86 5.41 -1.02 -5.12 119.36 117.61 1jex n ILE 87 Ca -0.10 0.43 0.00 0.00 1.00 0.00 0.00 62.75 64.08 1jex n ILE 87 Cb 0.79 -1.37 0.00 0.00 -0.71 0.00 0.00 39.64 38.36 1jex n ILE 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55