#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 4.14 -0.80 5.55 2.47 -1.26 -4.99 119.74 124.85 1jex s LYS 5 Ca 0.00 0.42 -0.20 0.00 -1.56 0.00 0.00 55.97 54.63 1jex s LYS 5 Cb 0.00 -3.33 0.11 0.00 -1.46 0.00 0.00 37.83 33.15 1jex s LYS 5 CO 0.00 0.43 1.02 0.71 0.16 0.00 0.00 175.35 177.67 1jex s TYR 6 N -0.25 2.96 -0.18 4.03 2.02 -1.26 -4.35 117.35 120.32 1jex s TYR 6 Ca 0.24 -1.06 -0.06 0.00 -0.37 0.00 0.00 57.07 55.82 1jex s TYR 6 Cb -0.16 -4.25 -0.04 0.00 -0.40 0.00 0.00 41.96 37.11 1jex s TYR 6 CO 0.12 -1.52 0.03 1.52 -1.57 0.00 0.00 175.55 174.13 1jex s TYR 7 N 3.14 3.18 0.61 2.71 -0.85 -1.26 -4.39 117.35 120.49 1jex s TYR 7 Ca 0.26 -0.04 -0.12 0.00 -0.52 0.00 0.00 57.07 56.65 1jex s TYR 7 Cb -0.11 -2.04 -0.04 0.00 0.38 0.00 0.00 41.96 40.14 1jex s TYR 7 CO -0.01 0.09 1.03 0.95 -1.52 0.00 0.00 175.55 176.09 1jex s THR 8 N 0.38 4.60 0.48 -3.49 -4.23 -1.26 -1.07 115.64 111.06 1jex s THR 8 Ca 0.01 0.91 0.39 0.00 -1.18 0.00 0.00 61.69 61.82 1jex s THR 8 Cb -0.13 -3.79 0.59 0.00 1.34 0.00 0.00 72.50 70.51 1jex s THR 8 CO 0.01 -1.04 1.56 0.18 -0.54 0.00 0.00 174.62 174.78 1jex n LEU 9 N -2.60 0.13 -0.02 4.79 4.32 -1.26 0.22 117.00 122.58 1jex n LEU 9 Ca 0.06 1.24 0.23 0.00 -0.02 0.00 0.00 56.01 57.52 1jex n LEU 9 Cb 0.54 -0.61 0.56 0.00 -1.62 0.00 0.00 43.42 42.29 1jex n LEU 9 CO 0.56 -1.32 1.20 -0.08 -1.22 0.00 0.00 177.39 176.54 1jex h GLU 10 N 0.00 0.00 0.00 3.23 4.81 -1.99 0.77 114.58 121.40 1jex h GLU 10 Ca 0.90 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 60.02 1jex h GLU 10 Cb 3.18 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 32.55 1jex h GLU 10 CO -0.30 0.00 -1.31 0.39 -0.73 0.00 0.00 179.01 177.06 1jex n GLU 11 N -3.36 0.54 -0.34 1.92 -0.58 0.61 -4.27 120.64 115.15 1jex n GLU 11 Ca 0.14 0.26 0.21 0.00 -0.42 0.00 0.00 57.16 57.35 1jex n GLU 11 Cb 1.06 -1.47 0.44 0.00 -0.57 0.00 0.00 31.44 30.90 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 0.41 -0.72 -3.67 5.03 -1.24 1.41 117.51 117.73 1jex h ILE 12 Ca -0.17 -0.15 0.13 0.00 -0.12 0.00 0.00 64.86 64.55 1jex h ILE 12 Cb 1.10 -0.06 -0.05 0.00 -3.03 0.00 0.00 36.82 34.78 1jex h ILE 12 CO -0.10 0.08 0.48 1.56 -0.68 0.00 0.00 178.15 179.49 1jex h GLN 13 N 0.44 0.45 0.00 2.37 1.08 0.31 1.11 115.11 120.86 1jex h GLN 13 Ca 0.69 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.86 1jex h GLN 13 Cb 1.49 -0.10 0.00 0.00 -0.05 0.00 0.00 27.48 28.82 1jex h GLN 13 CO -0.53 0.30 0.00 1.63 -0.95 0.00 0.00 178.83 179.28 1jex n LYS 14 N -4.48 0.18 -1.86 1.46 5.02 0.48 -2.93 118.16 116.03 1jex n LYS 14 Ca 0.13 0.10 -0.33 0.00 -2.02 0.00 0.00 58.31 56.19 1jex n LYS 14 Cb 0.46 -1.50 0.04 0.00 -0.02 0.00 0.00 35.03 34.01 1jex n LYS 14 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1jex n HIS 15 N -1.38 3.10 -2.38 2.13 8.25 0.38 -4.71 115.22 120.61 1jex n HIS 15 Ca 0.08 -2.68 -0.34 0.00 -0.26 0.00 0.00 57.72 54.53 1jex n HIS 15 Cb 0.21 -0.89 0.01 0.00 1.12 0.00 0.00 29.99 30.44 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 -0.68 3.48 -4.02 -0.41 4.81 -1.10 -3.16 118.16 117.08 1jex n LYS 16 Ca 0.52 -4.24 -0.10 0.00 -0.87 0.00 0.00 58.31 53.62 1jex n LYS 16 Cb 0.60 -2.29 -0.06 0.00 0.02 0.00 0.00 35.03 33.30 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 -2.33 -0.05 0.10 3.14 1.11 0.10 -5.01 116.67 113.73 1jex s ASP 17 Ca 0.48 -0.99 -0.27 0.00 0.18 0.00 0.00 52.55 51.95 1jex s ASP 17 Cb 0.36 0.55 -0.12 0.00 1.07 0.00 0.00 42.92 44.78 1jex s ASP 17 CO -0.25 -1.08 1.66 -1.28 1.18 0.00 0.00 175.17 175.39 1jex h SER 18 N 2.32 -0.57 -0.95 0.27 0.87 -1.94 -1.51 113.55 112.03 1jex h SER 18 Ca -0.28 0.05 0.22 0.00 -1.23 0.00 0.00 61.79 60.55 1jex h SER 18 Cb 1.25 0.20 -0.12 0.00 -0.44 0.00 0.00 62.40 63.29 1jex h SER 18 CO 0.39 -0.32 0.52 0.50 -0.53 0.00 0.00 176.83 177.39 1jex h LYS 19 N -0.46 0.54 -3.09 2.24 1.63 -1.97 -3.36 116.57 112.10 1jex h LYS 19 Ca -0.00 -0.03 -0.46 0.00 -0.85 0.00 0.00 60.65 59.31 1jex h LYS 19 Cb 0.43 -0.12 -0.41 0.00 -0.60 0.00 0.00 32.23 31.53 1jex h LYS 19 CO -0.05 0.36 -0.75 0.45 -3.45 0.00 0.00 179.45 176.01 1jex s SER 20 N -5.25 2.29 -0.09 4.20 0.15 -0.64 -4.90 113.70 109.45 1jex s SER 20 Ca -0.11 -0.58 -0.03 0.00 0.70 0.00 0.00 55.95 55.93 1jex s SER 20 Cb 0.26 -0.25 0.05 0.00 -1.71 0.00 0.00 66.02 64.36 1jex s SER 20 CO 0.79 -0.34 0.10 -0.89 1.20 0.00 0.00 173.24 174.10 1jex s THR 21 N 2.13 -0.15 0.42 6.45 2.01 -0.75 0.03 115.64 125.78 1jex s THR 21 Ca 0.02 0.23 0.01 0.00 0.31 0.00 0.00 61.69 62.26 1jex s THR 21 Cb -0.16 -0.32 0.01 0.00 0.01 0.00 0.00 72.50 72.04 1jex s THR 21 CO -0.09 0.03 0.08 0.79 -0.69 0.00 0.00 174.62 174.75 1jex n TRP 22 N 5.30 0.55 -3.15 4.92 8.01 -1.19 -2.79 117.44 129.09 1jex n TRP 22 Ca -0.04 -2.01 0.04 0.00 -1.31 0.00 0.00 57.50 54.18 1jex n TRP 22 Cb 0.50 -0.30 -0.00 0.00 -2.01 0.00 0.00 31.31 29.50 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 -2.43 -0.99 -0.08 -0.99 -7.23 -0.88 -3.93 120.40 103.86 1jex s VAL 23 Ca 0.06 0.00 -0.29 0.00 -1.81 0.00 0.00 61.98 59.94 1jex s VAL 23 Cb -0.00 -0.99 -0.07 0.00 0.56 0.00 0.00 36.38 35.88 1jex s VAL 23 CO 0.04 0.00 1.97 -0.51 -0.31 0.00 0.00 175.10 176.29 1jex s ILE 24 N 2.84 3.15 -0.05 -0.62 2.07 -1.25 -3.09 121.20 124.26 1jex s ILE 24 Ca 0.13 0.17 -0.01 0.00 -1.41 0.00 0.00 60.65 59.54 1jex s ILE 24 Cb -0.11 -3.14 0.03 0.00 0.13 0.00 0.00 42.46 39.36 1jex s ILE 24 CO -0.25 -0.05 0.02 -1.48 -1.91 0.00 0.00 174.94 171.28 1jex s LEU 25 N 5.71 0.59 -1.23 8.50 0.05 0.51 -3.30 118.68 129.51 1jex s LEU 25 Ca 0.89 -0.01 -0.05 0.00 0.05 0.00 0.00 54.13 55.01 1jex s LEU 25 Cb -0.37 -0.28 0.01 0.00 -2.05 0.00 0.00 46.19 43.50 1jex s LEU 25 CO 0.37 -0.19 0.65 1.41 -0.55 0.00 0.00 176.35 178.04 1jex n HIS 26 N 4.92 -1.86 -0.86 3.48 8.25 -1.26 -0.71 115.22 127.19 1jex n HIS 26 Ca -0.11 0.56 0.00 0.00 -0.26 0.00 0.00 57.72 57.91 1jex n HIS 26 Cb 0.50 -4.02 0.00 0.00 1.12 0.00 0.00 29.99 27.59 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 -4.38 0.00 -4.05 4.41 -0.00 -1.26 -4.94 115.22 105.00 1jex n HIS 27 Ca -0.06 0.00 -0.33 0.00 -0.00 0.00 0.00 57.72 57.33 1jex n HIS 27 Cb 0.58 -1.00 -0.15 0.00 -0.00 0.00 0.00 29.99 29.42 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 -0.86 2.65 0.08 1.57 3.01 0.11 -4.16 119.74 122.15 1jex s LYS 28 Ca 0.00 -1.08 -0.24 0.00 -1.01 0.00 0.00 55.97 53.64 1jex s LYS 28 Cb 0.00 -2.83 -0.06 0.00 -1.01 0.00 0.00 37.83 33.93 1jex s LYS 28 CO 0.00 -0.41 0.73 0.54 0.51 0.00 0.00 175.35 176.71 1jex s VAL 29 N 1.23 4.64 -0.04 3.17 0.11 -1.22 -0.37 120.40 127.93 1jex s VAL 29 Ca -0.02 1.56 0.06 0.00 -2.93 0.00 0.00 61.98 60.65 1jex s VAL 29 Cb -0.17 -4.08 -0.02 0.00 -1.53 0.00 0.00 36.38 30.58 1jex s VAL 29 CO -0.07 0.44 -0.21 -0.31 -3.33 0.00 0.00 175.10 171.62 1jex s TYR 30 N -0.53 2.49 -1.02 1.54 1.51 -1.18 -3.18 117.35 116.99 1jex s TYR 30 Ca 0.36 -0.38 -0.10 0.00 -1.01 0.00 0.00 57.07 55.93 1jex s TYR 30 Cb -0.21 -1.57 0.26 0.00 -0.11 0.00 0.00 41.96 40.33 1jex s TYR 30 CO 0.23 0.01 0.99 0.34 -1.11 0.00 0.00 175.55 176.02 1jex s ASP 31 N -0.57 7.11 -0.17 2.29 2.15 -1.20 -2.08 116.67 124.19 1jex s ASP 31 Ca 0.08 -3.32 0.07 0.00 0.43 0.00 0.00 52.55 49.81 1jex s ASP 31 Cb -0.11 -2.20 0.47 0.00 -0.30 0.00 0.00 42.92 40.78 1jex s ASP 31 CO 0.00 -0.37 1.32 0.00 -0.17 0.00 0.00 175.17 175.95 1jex n LEU 32 N 3.09 4.18 0.29 -1.34 -0.00 -1.17 -4.16 117.00 117.88 1jex n LEU 32 Ca 0.21 -2.14 0.19 0.00 -0.00 0.00 0.00 56.01 54.26 1jex n LEU 32 Cb 0.42 -0.63 0.83 0.00 -0.00 0.00 0.00 43.42 44.03 1jex n LEU 32 CO 0.42 0.56 1.04 0.00 -0.00 0.00 0.00 177.39 179.41 1jex h THR 33 N 1.95 0.00 0.00 1.47 1.03 -1.83 0.77 112.91 116.30 1jex h THR 33 Ca 0.09 -0.35 -0.13 0.00 -0.01 0.00 0.00 66.41 66.01 1jex h THR 33 Cb 1.57 1.33 -0.02 0.00 -1.07 0.00 0.00 68.15 69.96 1jex h THR 33 CO 0.39 0.00 -0.94 1.17 -0.01 0.00 0.00 175.52 176.13 1jex n LYS 34 N -3.04 0.51 -0.01 0.00 3.00 -1.26 -4.09 118.16 113.27 1jex n LYS 34 Ca -0.00 0.56 0.04 0.00 -0.00 0.00 0.00 58.31 58.90 1jex n LYS 34 Cb 0.23 -1.72 0.21 0.00 0.00 0.00 0.00 35.03 33.75 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 -4.51 0.03 -0.31 5.64 -0.00 -1.18 -3.84 117.46 113.29 1jex n PHE 35 Ca -0.21 -0.01 0.05 0.00 -0.00 0.00 0.00 57.45 57.28 1jex n PHE 35 Cb 0.50 0.00 0.21 0.00 -0.00 0.00 0.00 39.48 40.18 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 0.16 0.68 -0.09 -2.13 6.46 0.42 0.35 115.31 121.15 1jex h LEU 36 Ca 0.00 0.06 -0.04 0.00 -0.12 0.00 0.00 57.88 57.79 1jex h LEU 36 Cb 0.03 -0.06 -0.01 0.00 -0.73 0.00 0.00 40.66 39.90 1jex h LEU 36 CO 0.00 0.35 -0.17 -0.08 -0.62 0.00 0.00 178.44 177.92 1jex h GLU 37 N 0.78 0.00 -0.00 1.25 4.81 -1.83 -2.96 114.58 116.63 1jex h GLU 37 Ca 0.44 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.67 1jex h GLU 37 Cb 0.50 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.88 1jex h GLU 37 CO -0.29 0.17 -0.05 0.39 -0.73 0.00 0.00 179.01 178.50 1jex n GLU 38 N -3.15 0.95 -3.27 1.92 -0.58 0.96 -4.79 120.64 112.67 1jex n GLU 38 Ca 0.03 -0.28 -0.38 0.00 -0.42 0.00 0.00 57.16 56.11 1jex n GLU 38 Cb 0.58 -1.49 -0.06 0.00 -0.57 0.00 0.00 31.44 29.90 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 -2.24 3.51 -1.82 -0.32 2.46 0.31 -4.94 115.29 112.25 1jex s HIS 39 Ca 0.37 0.93 0.23 0.00 0.47 0.00 0.00 55.06 57.06 1jex s HIS 39 Cb 0.21 -2.59 1.33 0.00 -0.13 0.00 0.00 32.58 31.40 1jex s HIS 39 CO 0.41 0.14 1.77 -0.35 -2.47 0.00 0.00 174.74 174.25 1jex n PRO 40 N 3.76 0.61 0.00 2.88 -0.04 -1.26 -4.01 135.00 136.94 1jex n PRO 40 Ca -0.06 0.02 0.00 0.00 -0.04 0.00 0.00 63.50 63.42 1jex n PRO 40 Cb 0.51 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.47 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 0.53 -0.65 0.00 0.55 0.00 -1.26 -5.08 105.19 99.28 1jex n GLY 41 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 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 0.96 0.90 0.00 -0.02 0.00 -1.26 -5.00 105.19 100.78 1jex n GLY 42 Ca 0.00 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.17 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 4.01 0.00 1.61 2.13 -1.26 -4.47 120.64 122.66 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 -0.64 0.01 0.00 0.27 0.00 0.00 31.44 31.08 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 -1.06 1.21 -0.09 5.31 0.00 -1.26 -4.36 120.64 120.38 1jex n GLU 44 Ca 0.00 -0.53 -0.08 0.00 0.00 0.00 0.00 57.16 56.55 1jex n GLU 44 Cb 0.00 -0.96 -0.16 0.00 0.00 0.00 0.00 31.44 30.32 1jex n GLU 44 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.13 178.68 1jex n VAL 45 N -0.13 1.23 0.03 3.84 3.14 -1.26 -2.83 118.33 122.35 1jex n VAL 45 Ca 0.02 -0.81 -0.16 0.00 -2.96 0.00 0.00 64.34 60.42 1jex n VAL 45 Cb 0.08 -0.42 -0.06 0.00 -1.06 0.00 0.00 33.84 32.39 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 0.75 0.00 6.55 3.38 -1.80 -3.20 115.31 120.99 1jex h LEU 46 Ca -0.49 -0.55 -0.14 0.00 0.09 0.00 0.00 57.88 56.79 1jex h LEU 46 Cb 2.11 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 42.61 1jex h LEU 46 CO 0.03 1.34 -0.92 0.08 0.09 0.00 0.00 178.44 179.06 1jex h ARG 47 N 0.37 0.00 -0.37 1.13 0.11 -1.76 -3.28 114.38 110.58 1jex h ARG 47 Ca -0.08 0.00 0.11 0.00 0.10 0.00 0.00 59.98 60.11 1jex h ARG 47 Cb 1.52 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.59 1jex h ARG 47 CO 0.17 0.45 0.59 1.49 0.10 0.00 0.00 179.97 182.77 1jex h GLU 48 N 0.00 0.00 -0.12 0.08 4.22 -1.51 1.52 114.58 118.76 1jex h GLU 48 Ca -0.07 0.00 -0.03 0.00 0.08 0.00 0.00 59.36 59.34 1jex h GLU 48 Cb 1.50 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.73 1jex h GLU 48 CO 0.06 0.00 -0.10 1.04 -2.18 0.00 0.00 179.01 177.84 1jex n GLN 49 N -3.32 1.85 -1.60 1.92 1.13 -1.24 -4.81 117.38 111.32 1jex n GLN 49 Ca 0.07 -2.87 -0.36 0.00 -1.94 0.00 0.00 57.00 51.90 1jex n GLN 49 Cb 0.74 -1.66 -0.03 0.00 0.11 0.00 0.00 30.24 29.39 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 -1.10 7.03 0.00 -1.58 0.00 0.52 -3.40 120.51 121.99 1jex n ALA 50 Ca 0.21 -3.57 0.00 0.00 0.00 0.00 0.00 53.44 50.08 1jex n ALA 50 Cb 0.78 -2.89 0.00 0.00 0.00 0.00 0.00 19.45 17.33 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 2.40 0.11 0.00 0.00 0.00 -1.26 -3.94 105.19 102.50 1jex n GLY 51 Ca 0.66 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.62 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 -0.74 2.56 3.36 -0.02 0.00 -1.22 -4.84 105.19 104.29 1jex n GLY 52 Ca 0.00 -0.87 -0.35 0.00 0.00 0.00 0.00 46.02 44.80 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 0.08 4.60 0.07 1.61 -4.77 -1.26 -3.74 116.67 113.26 1jex s ASP 53 Ca 0.00 -0.32 0.23 0.00 -3.30 0.00 0.00 52.55 49.16 1jex s ASP 53 Cb 0.00 -1.80 -0.00 0.00 -1.09 0.00 0.00 42.92 40.03 1jex s ASP 53 CO 0.00 -0.02 0.97 0.00 0.70 0.00 0.00 175.17 176.82 1jex n ALA 54 N 4.81 3.13 -0.27 2.11 0.00 -1.21 -4.08 120.51 125.01 1jex n ALA 54 Ca -0.17 -0.38 0.28 0.00 0.00 0.00 0.00 53.44 53.17 1jex n ALA 54 Cb 0.51 -0.98 0.66 0.00 0.00 0.00 0.00 19.45 19.64 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 0.51 -0.24 0.00 1.03 -1.89 2.72 112.91 115.04 1jex h THR 55 Ca 0.00 -0.05 -0.06 0.00 -0.01 0.00 0.00 66.41 66.29 1jex h THR 55 Cb 0.82 0.36 -0.01 0.00 -1.07 0.00 0.00 68.15 68.25 1jex h THR 55 CO 0.00 0.03 -0.09 1.05 -0.01 0.00 0.00 175.52 176.50 1jex h GLU 56 N 0.14 0.48 0.10 0.00 4.11 -1.92 0.25 114.58 117.74 1jex h GLU 56 Ca 0.51 -0.20 -0.26 0.00 0.07 0.00 0.00 59.36 59.48 1jex h GLU 56 Cb 1.78 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 31.00 1jex h GLU 56 CO -0.09 0.73 -1.22 -0.91 0.07 0.00 0.00 179.01 177.58 1jex h ASN 57 N 0.21 0.34 -0.61 3.06 4.21 -0.60 -2.12 115.58 120.07 1jex h ASN 57 Ca 0.06 -0.37 -0.09 0.00 1.21 0.00 0.00 56.30 57.10 1jex h ASN 57 Cb 0.57 -0.11 -0.02 0.00 -1.12 0.00 0.00 38.32 37.63 1jex h ASN 57 CO 0.03 1.29 0.01 0.15 -1.29 0.00 0.00 177.43 177.62 1jex h PHE 58 N 0.06 1.16 0.00 1.19 3.04 0.46 -2.54 116.94 120.31 1jex h PHE 58 Ca -0.12 -0.19 -0.04 0.00 3.98 0.00 0.00 57.97 61.60 1jex h PHE 58 Cb 1.94 -0.31 -0.01 0.00 2.56 0.00 0.00 35.95 40.14 1jex h PHE 58 CO 0.05 1.02 -0.19 1.05 -2.02 0.00 0.00 178.31 178.22 1jex h GLU 59 N 0.98 0.00 0.67 1.11 -0.00 -0.57 -3.22 114.58 113.55 1jex h GLU 59 Ca 0.18 0.00 -0.03 0.00 -0.00 0.00 0.00 59.36 59.50 1jex h GLU 59 Cb 0.55 0.00 0.01 0.00 -0.00 0.00 0.00 28.75 29.30 1jex h GLU 59 CO 0.03 0.19 -0.32 0.22 -0.00 0.00 0.00 179.01 179.12 1jex h ASP 60 N 0.00 -0.76 0.00 3.06 3.58 -0.96 -1.64 116.42 119.69 1jex h ASP 60 Ca -0.00 -0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1jex h ASP 60 Cb 1.13 0.20 0.00 0.00 1.72 0.00 0.00 39.33 42.38 1jex h ASP 60 CO 0.02 -0.48 0.01 1.62 -2.88 0.00 0.00 179.24 177.53 1jex h VAL 61 N -0.99 0.00 -4.53 2.25 3.04 -1.58 -3.46 116.25 110.97 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 0.71 0.82 0.00 0.00 -2.01 0.00 0.00 31.29 30.81 1jex h VAL 61 CO 0.15 0.00 -0.29 0.61 -1.01 0.00 0.00 177.57 177.03 1jex n GLY 62 N -1.16 -1.09 3.76 3.17 0.00 -0.62 -4.97 105.19 104.29 1jex n GLY 62 Ca -0.02 0.73 -0.40 0.00 0.00 0.00 0.00 46.02 46.32 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 -2.21 3.49 0.90 1.61 3.76 -1.24 -4.98 115.29 116.62 1jex s HIS 63 Ca 0.14 1.65 -0.14 0.00 -0.15 0.00 0.00 55.06 56.57 1jex s HIS 63 Cb -0.04 -3.35 0.01 0.00 1.11 0.00 0.00 32.58 30.31 1jex s HIS 63 CO 0.51 -0.78 0.40 0.45 -0.85 0.00 0.00 174.74 174.48 1jex n SER 64 N 1.14 -1.97 0.08 1.40 2.88 -1.26 -4.84 113.62 111.05 1jex n SER 64 Ca -0.01 0.39 0.11 0.00 -1.33 0.00 0.00 58.87 58.03 1jex n SER 64 Cb 0.44 -1.20 0.45 0.00 -0.75 0.00 0.00 64.21 63.15 1jex n SER 64 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1jex n THR 65 N -3.27 0.72 -0.03 2.46 -2.24 -1.26 -1.89 114.28 108.77 1jex n THR 65 Ca 0.07 0.09 0.08 0.00 -2.27 0.00 0.00 64.05 62.02 1jex n THR 65 Cb 0.53 -0.92 0.27 0.00 -2.10 0.00 0.00 70.33 68.11 1jex n THR 65 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1jex n ASP 66 N -2.02 3.57 0.08 3.42 9.92 -1.26 -3.87 116.55 126.39 1jex n ASP 66 Ca 0.04 -2.23 0.00 0.00 -0.53 0.00 0.00 54.79 52.07 1jex n ASP 66 Cb 0.28 -0.47 -0.04 0.00 -0.64 0.00 0.00 41.12 40.25 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 3.27 0.74 -0.82 2.53 3.04 -1.71 -3.24 116.25 120.07 1jex h VAL 67 Ca 0.00 -2.20 0.02 0.00 -1.01 0.00 0.00 66.70 63.51 1jex h VAL 67 Cb 1.04 2.26 -0.05 0.00 -2.01 0.00 0.00 31.29 32.53 1jex h VAL 67 CO 0.12 0.42 0.53 0.08 -1.01 0.00 0.00 177.57 177.71 1jex h ARG 68 N 0.00 1.03 0.00 4.17 0.11 -1.76 -0.61 114.38 117.31 1jex h ARG 68 Ca -0.09 -0.06 -0.02 0.00 0.10 0.00 0.00 59.98 59.91 1jex h ARG 68 Cb 1.53 -0.23 -0.00 0.00 1.11 0.00 0.00 29.97 32.37 1jex h ARG 68 CO 0.06 0.68 -0.09 1.05 0.10 0.00 0.00 179.97 181.77 1jex h GLU 69 N 1.06 0.00 0.00 0.08 4.11 -1.83 -3.34 114.58 114.66 1jex h GLU 69 Ca 0.31 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.74 1jex h GLU 69 Cb -0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.20 1jex h GLU 69 CO -0.09 0.09 0.00 -0.11 0.07 0.00 0.00 179.01 178.97 1jex n LEU 70 N -3.16 0.00 -4.66 3.06 -0.00 -0.24 -4.33 117.00 107.67 1jex n LEU 70 Ca 0.02 0.82 -0.43 0.00 -0.00 0.00 0.00 56.01 56.42 1jex n LEU 70 Cb 0.46 -0.32 -0.03 0.00 -0.00 0.00 0.00 43.42 43.53 1jex n LEU 70 CO 0.32 -0.32 0.82 -0.55 -0.00 0.00 0.00 177.39 177.66 1jex s SER 71 N -2.48 7.07 0.23 1.96 0.15 -1.21 -4.79 113.70 114.62 1jex s SER 71 Ca 0.00 1.33 0.00 0.00 0.70 0.00 0.00 55.95 57.98 1jex s SER 71 Cb 0.00 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.79 1jex s SER 71 CO 0.00 -0.57 0.00 0.29 1.20 0.00 0.00 173.24 174.16 1jex n LYS 72 N 5.90 0.00 0.18 5.44 5.02 -1.26 -4.75 118.16 128.69 1jex n LYS 72 Ca 0.10 0.00 0.05 0.00 -2.02 0.00 0.00 58.31 56.44 1jex n LYS 72 Cb 0.47 -0.04 0.30 0.00 -0.02 0.00 0.00 35.03 35.74 1jex n LYS 72 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 1jex h THR 73 N 0.00 0.90 -0.16 -0.18 2.02 -1.94 -3.02 112.91 110.53 1jex h THR 73 Ca 0.00 -1.61 -0.17 0.00 0.77 0.00 0.00 66.41 65.40 1jex h THR 73 Cb 0.02 1.99 -0.00 0.00 -1.74 0.00 0.00 68.15 68.41 1jex h THR 73 CO 0.00 0.39 -0.59 1.88 0.37 0.00 0.00 175.52 177.56 1jex h TYR 74 N 0.00 0.69 -1.80 3.16 0.05 -1.89 -3.46 116.97 113.73 1jex h TYR 74 Ca -0.00 -0.26 -0.54 0.00 0.05 0.00 0.00 58.73 57.98 1jex h TYR 74 Cb 0.95 -0.12 0.17 0.00 1.01 0.00 0.00 36.73 38.74 1jex h TYR 74 CO 0.00 1.00 -1.08 -0.89 -1.05 0.00 0.00 178.16 176.14 1jex n ILE 75 N -3.93 0.00 -0.07 -2.88 2.08 -1.14 -3.27 119.36 110.14 1jex n ILE 75 Ca -0.04 -0.45 -0.13 0.00 0.56 0.00 0.00 62.75 62.70 1jex n ILE 75 Cb 0.63 0.00 -0.06 0.00 -0.75 0.00 0.00 39.64 39.46 1jex n ILE 75 CO 0.00 0.00 0.00 2.30 0.56 0.00 0.00 176.55 179.41 1jex n ILE 76 N -1.42 0.79 0.00 1.39 -5.35 -1.20 -4.67 119.36 108.90 1jex n ILE 76 Ca 0.06 -0.25 0.00 0.00 -0.27 0.00 0.00 62.75 62.30 1jex n ILE 76 Cb 0.43 -1.37 0.00 0.00 -1.74 0.00 0.00 39.64 36.96 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 2.44 -0.40 3.46 3.28 0.00 -1.19 -4.71 105.19 108.06 1jex n GLY 77 Ca -0.27 0.07 0.01 0.00 0.00 0.00 0.00 46.02 45.84 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 0.38 0.95 1.61 -1.05 -1.26 -3.39 118.70 115.93 1jex s GLU 78 Ca 0.00 0.93 -0.13 0.00 -0.15 0.00 0.00 54.97 55.62 1jex s GLU 78 Cb 0.00 0.56 0.04 0.00 -0.44 0.00 0.00 34.13 34.29 1jex s GLU 78 CO 0.00 -0.14 0.42 1.47 0.95 0.00 0.00 175.26 177.96 1jex n LEU 79 N 5.13 -0.15 -3.93 1.83 -0.00 -1.26 -4.12 117.00 114.51 1jex n LEU 79 Ca -0.10 0.33 -0.43 0.00 -0.00 0.00 0.00 56.01 55.81 1jex n LEU 79 Cb 0.52 -1.21 -0.03 0.00 -0.00 0.00 0.00 43.42 42.69 1jex n LEU 79 CO -0.04 -3.59 0.02 1.57 -0.00 0.00 0.00 177.39 175.35 1jex n HIS 80 N -3.63 -0.37 0.23 1.47 -0.00 -0.23 -4.69 115.22 107.99 1jex n HIS 80 Ca 0.07 0.87 0.12 0.00 -0.00 0.00 0.00 57.72 58.78 1jex n HIS 80 Cb 0.54 -1.75 0.38 0.00 -0.00 0.00 0.00 29.99 29.15 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 1.00 0.00 0.11 1.57 0.13 -1.93 -0.22 132.00 132.65 1jex h PRO 81 Ca -0.26 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.59 1jex h PRO 81 Cb 1.28 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.43 1jex h PRO 81 CO 0.51 0.11 -1.20 0.22 -0.23 0.00 0.00 178.00 177.42 1jex h ASP 82 N 0.00 0.68 1.22 1.44 3.58 -2.00 -3.08 116.42 118.26 1jex h ASP 82 Ca -0.00 -0.64 -0.16 0.00 0.42 0.00 0.00 57.03 56.65 1jex h ASP 82 Cb 0.84 -0.21 -0.02 0.00 1.72 0.00 0.00 39.33 41.65 1jex h ASP 82 CO 0.01 1.46 -0.75 0.44 -2.88 0.00 0.00 179.24 177.53 1jex h ASP 83 N 0.20 0.00 -0.40 2.28 5.19 -1.88 -3.16 116.42 118.65 1jex h ASP 83 Ca -0.16 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.23 1jex h ASP 83 Cb 1.88 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 41.36 1jex h ASP 83 CO 0.22 0.75 0.17 -0.09 -3.12 0.00 0.00 179.24 177.16 1jex h ARG 84 N 0.00 0.66 -0.00 3.56 1.12 -1.05 0.29 114.38 118.95 1jex h ARG 84 Ca -0.01 -0.10 0.00 0.00 -1.11 0.00 0.00 59.98 58.77 1jex h ARG 84 Cb 1.56 -0.12 0.00 0.00 -0.01 0.00 0.00 29.97 31.40 1jex h ARG 84 CO 0.10 0.56 -0.11 0.43 -3.11 0.00 0.00 179.97 177.84 1jex n SER 85 N -4.35 0.38 0.03 -3.80 7.64 -1.17 -3.18 113.62 109.17 1jex n SER 85 Ca 0.03 -0.43 -0.04 0.00 1.01 0.00 0.00 58.87 59.44 1jex n SER 85 Cb 0.16 -0.11 -0.10 0.00 -1.01 0.00 0.00 64.21 63.16 1jex n SER 85 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 1jex h LYS 86 N 0.42 0.00 0.00 1.43 1.57 -0.92 -3.21 116.57 115.85 1jex h LYS 86 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1jex h LYS 86 Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.67 1jex h LYS 86 CO 0.00 0.51 0.00 -0.89 -0.57 0.00 0.00 179.45 178.50 1jex n ILE 87 N -3.07 0.47 0.39 1.86 2.08 -0.92 -5.10 119.36 115.07 1jex n ILE 87 Ca -0.09 0.12 0.03 0.00 0.56 0.00 0.00 62.75 63.37 1jex n ILE 87 Cb 0.92 -0.83 0.19 0.00 -0.75 0.00 0.00 39.64 39.17 1jex n ILE 87 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11