#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 4.32 -0.87 1.45 2.20 -1.26 -4.97 119.74 120.61 1jex s LYS 5 Ca 0.00 0.86 -0.17 0.00 -0.36 0.00 0.00 55.97 56.30 1jex s LYS 5 Cb 0.00 -3.26 0.16 0.00 -1.51 0.00 0.00 37.83 33.22 1jex s LYS 5 CO 0.00 0.58 0.98 0.71 -0.36 0.00 0.00 175.35 177.26 1jex s TYR 6 N -0.99 3.30 -0.19 4.03 2.02 -1.26 -4.25 117.35 120.02 1jex s TYR 6 Ca 0.31 -1.53 -0.11 0.00 -0.37 0.00 0.00 57.07 55.37 1jex s TYR 6 Cb -0.20 -4.12 -0.05 0.00 -0.40 0.00 0.00 41.96 37.19 1jex s TYR 6 CO 0.21 -1.32 0.19 1.52 -1.57 0.00 0.00 175.55 174.58 1jex s TYR 7 N 1.92 3.42 0.56 2.71 -0.85 -1.26 -4.18 117.35 119.67 1jex s TYR 7 Ca 0.26 0.42 -0.15 0.00 -0.52 0.00 0.00 57.07 57.08 1jex s TYR 7 Cb -0.08 -2.24 -0.06 0.00 0.38 0.00 0.00 41.96 39.96 1jex s TYR 7 CO -0.08 0.26 1.01 0.95 -1.52 0.00 0.00 175.55 176.17 1jex s THR 8 N 0.45 4.35 0.52 -3.49 -4.23 -1.26 -1.06 115.64 110.91 1jex s THR 8 Ca 0.11 1.06 0.45 0.00 -1.18 0.00 0.00 61.69 62.13 1jex s THR 8 Cb -0.12 -3.64 0.66 0.00 1.34 0.00 0.00 72.50 70.74 1jex s THR 8 CO 0.00 -0.71 1.55 0.18 -0.54 0.00 0.00 174.62 175.10 1jex n LEU 9 N -1.91 0.07 -0.05 4.79 4.32 -1.26 0.25 117.00 123.21 1jex n LEU 9 Ca 0.07 1.11 0.25 0.00 -0.02 0.00 0.00 56.01 57.42 1jex n LEU 9 Cb 0.54 -0.55 0.66 0.00 -1.62 0.00 0.00 43.42 42.45 1jex n LEU 9 CO 0.48 -1.15 1.22 -0.08 -1.22 0.00 0.00 177.39 176.65 1jex h GLU 10 N 0.00 0.00 0.00 3.23 4.81 -1.97 0.93 114.58 121.58 1jex h GLU 10 Ca 0.92 0.00 -0.17 0.00 -0.13 0.00 0.00 59.36 59.97 1jex h GLU 10 Cb 3.47 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 32.82 1jex h GLU 10 CO -0.15 0.00 -1.44 0.39 -0.73 0.00 0.00 179.01 177.08 1jex n GLU 11 N -3.63 0.54 -0.34 1.92 -0.58 0.69 -4.34 120.64 114.91 1jex n GLU 11 Ca 0.14 0.32 0.19 0.00 -0.42 0.00 0.00 57.16 57.39 1jex n GLU 11 Cb 0.96 -1.53 0.43 0.00 -0.57 0.00 0.00 31.44 30.73 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 0.56 -0.36 -3.67 5.03 -1.27 1.22 117.51 118.02 1jex h ILE 12 Ca -0.26 -0.18 0.10 0.00 -0.12 0.00 0.00 64.86 64.40 1jex h ILE 12 Cb 1.15 -0.02 -0.01 0.00 -3.03 0.00 0.00 36.82 34.90 1jex h ILE 12 CO -0.16 0.10 0.36 1.56 -0.68 0.00 0.00 178.15 179.33 1jex h GLN 13 N 0.54 0.00 0.00 2.37 1.08 0.66 1.46 115.11 121.22 1jex h GLN 13 Ca 0.61 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.81 1jex h GLN 13 Cb 1.28 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.71 1jex h GLN 13 CO -0.39 0.00 0.00 1.17 -0.95 0.00 0.00 178.83 178.66 1jex n LYS 14 N -3.85 0.11 -2.24 1.46 4.81 0.42 -3.19 118.16 115.67 1jex n LYS 14 Ca 0.06 0.10 -0.34 0.00 -0.87 0.00 0.00 58.31 57.26 1jex n LYS 14 Cb 0.52 -1.50 0.02 0.00 0.02 0.00 0.00 35.03 34.09 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 -1.43 3.20 -2.35 5.64 8.25 0.50 -4.75 115.22 124.28 1jex n HIS 15 Ca 0.07 -2.74 -0.34 0.00 -0.26 0.00 0.00 57.72 54.46 1jex n HIS 15 Cb 0.23 -0.71 0.01 0.00 1.12 0.00 0.00 29.99 30.64 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 -0.47 3.40 -3.57 -0.41 4.81 -1.06 -3.16 118.16 117.70 1jex n LYS 16 Ca 0.46 -4.20 -0.10 0.00 -0.87 0.00 0.00 58.31 53.60 1jex n LYS 16 Cb 0.41 -2.28 -0.02 0.00 0.02 0.00 0.00 35.03 33.16 1jex n LYS 16 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1jex s ASP 17 N -2.35 -0.46 0.18 3.14 -1.08 -0.25 -5.02 116.67 110.82 1jex s ASP 17 Ca 0.49 -0.20 -0.16 0.00 -0.52 0.00 0.00 52.55 52.16 1jex s ASP 17 Cb 0.38 0.64 0.15 0.00 -1.46 0.00 0.00 42.92 42.62 1jex s ASP 17 CO -0.26 -1.09 1.66 0.77 0.52 0.00 0.00 175.17 176.77 1jex h SER 18 N 2.00 -0.41 -0.77 -0.34 4.64 -1.93 0.78 113.55 117.51 1jex h SER 18 Ca -0.29 0.14 0.18 0.00 -0.47 0.00 0.00 61.79 61.35 1jex h SER 18 Cb 1.29 0.28 -0.13 0.00 -0.31 0.00 0.00 62.40 63.54 1jex h SER 18 CO 0.33 -0.15 0.09 0.50 -0.87 0.00 0.00 176.83 176.73 1jex h LYS 19 N 0.01 0.15 -3.17 4.77 3.11 -1.96 -3.37 116.57 116.12 1jex h LYS 19 Ca 0.23 -0.01 -0.42 0.00 -2.81 0.00 0.00 60.65 57.64 1jex h LYS 19 Cb 0.35 -0.03 -0.40 0.00 -1.00 0.00 0.00 32.23 31.15 1jex h LYS 19 CO -0.48 0.10 -0.75 0.45 -2.81 0.00 0.00 179.45 175.96 1jex s SER 20 N -5.18 1.85 -0.11 4.20 0.15 0.23 -4.88 113.70 109.96 1jex s SER 20 Ca -0.13 -0.33 -0.02 0.00 0.70 0.00 0.00 55.95 56.17 1jex s SER 20 Cb 0.23 -0.20 0.04 0.00 -1.71 0.00 0.00 66.02 64.37 1jex s SER 20 CO 0.76 -0.31 0.03 -0.89 1.20 0.00 0.00 173.24 174.03 1jex s THR 21 N 2.15 0.30 0.49 6.45 2.01 -1.00 -1.09 115.64 124.94 1jex s THR 21 Ca 0.03 -0.07 0.05 0.00 0.31 0.00 0.00 61.69 62.01 1jex s THR 21 Cb -0.14 -0.63 -0.01 0.00 0.01 0.00 0.00 72.50 71.72 1jex s THR 21 CO -0.07 0.05 0.20 0.26 -0.69 0.00 0.00 174.62 174.37 1jex s TRP 22 N 1.99 2.05 -0.30 4.92 0.51 -1.19 -2.17 118.94 124.75 1jex s TRP 22 Ca 0.03 -0.79 0.05 0.00 -2.12 0.00 0.00 56.10 53.27 1jex s TRP 22 Cb -0.14 -1.83 0.19 0.00 -0.81 0.00 0.00 33.47 30.87 1jex s TRP 22 CO -0.06 -0.02 0.54 0.14 -0.51 0.00 0.00 176.95 177.04 1jex s VAL 23 N -2.75 -0.89 -0.60 4.03 -7.23 -0.94 -4.09 120.40 107.93 1jex s VAL 23 Ca 0.28 -0.09 -0.26 0.00 -1.81 0.00 0.00 61.98 60.09 1jex s VAL 23 Cb 0.01 -0.94 -0.02 0.00 0.56 0.00 0.00 36.38 35.99 1jex s VAL 23 CO 0.16 -0.09 1.89 -0.51 -0.31 0.00 0.00 175.10 176.25 1jex s ILE 24 N 2.68 3.33 -0.06 -0.62 1.10 -1.24 -2.74 121.20 123.65 1jex s ILE 24 Ca 0.10 0.19 0.06 0.00 -0.51 0.00 0.00 60.65 60.49 1jex s ILE 24 Cb -0.10 -3.88 -0.01 0.00 0.15 0.00 0.00 42.46 38.61 1jex s ILE 24 CO -0.26 -0.85 -0.23 -1.48 -2.11 0.00 0.00 174.94 170.01 1jex s LEU 25 N 9.26 2.18 -1.40 8.50 0.05 0.15 -4.03 118.68 133.39 1jex s LEU 25 Ca 0.69 -0.46 -0.04 0.00 0.05 0.00 0.00 54.13 54.37 1jex s LEU 25 Cb -0.13 -1.40 0.00 0.00 -2.05 0.00 0.00 46.19 42.61 1jex s LEU 25 CO 0.21 0.26 0.38 1.41 -0.55 0.00 0.00 176.35 178.06 1jex n HIS 26 N 2.86 -1.57 -2.26 3.48 8.25 -1.26 0.21 115.22 124.93 1jex n HIS 26 Ca -0.17 0.64 -0.14 0.00 -0.26 0.00 0.00 57.72 57.79 1jex n HIS 26 Cb 0.52 -3.44 -0.02 0.00 1.12 0.00 0.00 29.99 28.18 1jex n HIS 26 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 1jex n HIS 27 N -4.47 -1.17 -3.59 4.41 1.44 -1.26 -4.91 115.22 105.67 1jex n HIS 27 Ca -0.28 0.00 -0.25 0.00 -2.01 0.00 0.00 57.72 55.18 1jex n HIS 27 Cb 0.67 -2.93 -0.16 0.00 0.12 0.00 0.00 29.99 27.69 1jex n HIS 27 CO 0.00 0.00 0.00 0.15 -2.81 0.00 0.00 176.34 173.68 1jex s LYS 28 N -4.72 0.08 0.06 -1.40 -0.14 0.55 -4.60 119.74 109.58 1jex s LYS 28 Ca 0.00 -0.06 -0.20 0.00 -1.36 0.00 0.00 55.97 54.35 1jex s LYS 28 Cb 0.00 -1.72 -0.06 0.00 -1.68 0.00 0.00 37.83 34.37 1jex s LYS 28 CO 0.00 -0.68 0.59 0.54 -0.76 0.00 0.00 175.35 175.04 1jex s VAL 29 N 2.16 4.75 0.05 3.17 0.11 -1.21 0.29 120.40 129.73 1jex s VAL 29 Ca 0.03 1.26 0.08 0.00 -2.93 0.00 0.00 61.98 60.42 1jex s VAL 29 Cb -0.16 -3.93 -0.03 0.00 -1.53 0.00 0.00 36.38 30.74 1jex s VAL 29 CO -0.11 0.52 -0.22 -0.31 -3.33 0.00 0.00 175.10 171.66 1jex s TYR 30 N -0.88 1.89 -0.58 1.54 1.51 -1.11 -3.04 117.35 116.69 1jex s TYR 30 Ca 0.30 -0.38 -0.17 0.00 -1.01 0.00 0.00 57.07 55.80 1jex s TYR 30 Cb -0.19 -1.11 0.12 0.00 -0.11 0.00 0.00 41.96 40.66 1jex s TYR 30 CO 0.19 0.11 0.60 0.34 -1.11 0.00 0.00 175.55 175.69 1jex s ASP 31 N -1.28 6.21 0.00 2.29 2.15 0.23 -2.22 116.67 124.05 1jex s ASP 31 Ca 0.08 -1.67 0.25 0.00 0.43 0.00 0.00 52.55 51.65 1jex s ASP 31 Cb -0.09 -2.25 0.49 0.00 -0.30 0.00 0.00 42.92 40.77 1jex s ASP 31 CO 0.02 -0.97 1.41 0.18 -0.17 0.00 0.00 175.17 175.64 1jex n LEU 32 N 5.70 1.69 0.28 -1.34 7.99 -0.92 -4.13 117.00 126.27 1jex n LEU 32 Ca -0.11 -0.56 0.12 0.00 -0.01 0.00 0.00 56.01 55.46 1jex n LEU 32 Cb 0.41 -0.05 0.66 0.00 -0.11 0.00 0.00 43.42 44.34 1jex n LEU 32 CO 0.55 0.30 1.02 0.00 -1.51 0.00 0.00 177.39 177.76 1jex h THR 33 N 2.26 0.00 0.00 -5.08 1.03 -1.81 2.69 112.91 112.01 1jex h THR 33 Ca 0.00 0.00 -0.07 0.00 -0.01 0.00 0.00 66.41 66.33 1jex h THR 33 Cb 0.65 0.54 -0.01 0.00 -1.07 0.00 0.00 68.15 68.26 1jex h THR 33 CO 0.00 0.00 -0.75 1.17 -0.01 0.00 0.00 175.52 175.93 1jex n LYS 34 N -2.63 0.49 -0.45 0.00 3.00 -1.26 -4.22 118.16 113.09 1jex n LYS 34 Ca -0.02 0.54 0.02 0.00 -0.00 0.00 0.00 58.31 58.85 1jex n LYS 34 Cb 0.37 -1.71 0.18 0.00 0.00 0.00 0.00 35.03 33.87 1jex n LYS 34 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.40 179.37 1jex n PHE 35 N -4.56 1.05 -0.32 5.64 -1.74 -0.48 -4.20 117.46 112.84 1jex n PHE 35 Ca -0.15 -0.44 -0.04 0.00 -0.56 0.00 0.00 57.45 56.27 1jex n PHE 35 Cb 0.39 -0.33 0.08 0.00 1.52 0.00 0.00 39.48 41.14 1jex n PHE 35 CO 0.00 0.00 0.00 1.25 -0.56 0.00 0.00 176.76 177.45 1jex h LEU 36 N 1.79 1.03 0.00 5.98 6.46 0.45 0.72 115.31 131.75 1jex h LEU 36 Ca 0.03 -0.06 0.00 0.00 -0.12 0.00 0.00 57.88 57.73 1jex h LEU 36 Cb 1.28 -0.26 0.00 0.00 -0.73 0.00 0.00 40.66 40.95 1jex h LEU 36 CO 0.27 0.79 -0.27 -0.08 -0.62 0.00 0.00 178.44 178.53 1jex h GLU 37 N 1.18 0.00 -0.00 1.25 4.81 -1.81 -3.11 114.58 116.89 1jex h GLU 37 Ca 0.31 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.54 1jex h GLU 37 Cb -0.05 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.33 1jex h GLU 37 CO -0.06 0.00 -0.18 0.39 -0.73 0.00 0.00 179.01 178.43 1jex n GLU 38 N -2.70 0.68 -3.02 1.92 -0.58 -0.50 -4.83 120.64 111.61 1jex n GLU 38 Ca 0.03 -0.31 -0.40 0.00 -0.42 0.00 0.00 57.16 56.07 1jex n GLU 38 Cb 0.50 -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 -2.53 3.59 -1.64 -0.32 2.46 0.13 -4.93 115.29 112.05 1jex s HIS 39 Ca 0.26 1.29 0.23 0.00 0.47 0.00 0.00 55.06 57.31 1jex s HIS 39 Cb 0.20 -2.83 1.26 0.00 -0.13 0.00 0.00 32.58 31.08 1jex s HIS 39 CO 0.50 0.09 1.77 -0.35 -2.47 0.00 0.00 174.74 174.28 1jex n PRO 40 N 3.74 0.49 0.00 2.88 -0.04 -1.26 -4.04 135.00 136.76 1jex n PRO 40 Ca -0.01 0.04 0.00 0.00 -0.04 0.00 0.00 63.50 63.50 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 0.60 -1.10 0.00 0.55 0.00 -1.26 -5.07 105.19 98.90 1jex n GLY 41 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 1.02 0.00 -0.02 0.00 -1.26 -5.00 105.19 100.63 1jex n GLY 42 Ca 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.23 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 5.58 0.00 1.61 2.13 -1.26 -4.50 120.64 124.20 1jex n GLU 43 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1jex n GLU 43 Cb 0.00 -0.48 0.00 0.00 0.27 0.00 0.00 31.44 31.24 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 -0.90 0.55 -0.09 5.31 0.00 -1.26 -4.40 120.64 119.85 1jex n GLU 44 Ca 0.00 -0.44 -0.07 0.00 0.00 0.00 0.00 57.16 56.65 1jex n GLU 44 Cb 0.00 -0.92 -0.16 0.00 0.00 0.00 0.00 31.44 30.36 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 -0.16 1.18 0.08 3.84 3.14 -1.26 -2.89 118.33 122.26 1jex n VAL 45 Ca 0.00 -0.80 -0.09 0.00 -2.96 0.00 0.00 64.34 60.50 1jex n VAL 45 Cb 0.01 -0.41 -0.04 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 0.22 0.00 6.55 3.38 -1.81 -3.19 115.31 120.46 1jex h LEU 46 Ca -0.47 -0.19 -0.04 0.00 0.09 0.00 0.00 57.88 57.27 1jex h LEU 46 Cb 2.06 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 42.74 1jex h LEU 46 CO 0.03 1.04 -0.97 0.08 0.09 0.00 0.00 178.44 178.71 1jex h ARG 47 N 0.08 0.00 0.00 1.13 0.11 -1.77 -3.29 114.38 110.63 1jex h ARG 47 Ca -0.05 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.03 1jex h ARG 47 Cb 1.61 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.69 1jex h ARG 47 CO 0.14 0.08 0.00 -1.91 0.10 0.00 0.00 179.97 178.38 1jex n GLU 48 N -2.79 0.10 -2.66 0.08 0.00 -1.14 -1.87 120.64 112.36 1jex n GLU 48 Ca -0.02 0.52 -0.06 0.00 0.00 0.00 0.00 57.16 57.60 1jex n GLU 48 Cb 0.62 -1.77 0.04 0.00 0.00 0.00 0.00 31.44 30.33 1jex n GLU 48 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 1jex n GLN 49 N -1.96 2.08 -2.73 5.31 6.02 -1.24 -4.92 117.38 119.94 1jex n GLN 49 Ca 0.00 -3.64 -0.38 0.00 -0.01 0.00 0.00 57.00 52.97 1jex n GLN 49 Cb 0.08 -1.72 0.01 0.00 1.02 0.00 0.00 30.24 29.62 1jex n GLN 49 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1jex n ALA 50 N -0.57 5.74 0.00 -1.58 0.00 -0.78 -4.27 120.51 119.04 1jex n ALA 50 Ca 0.15 -4.64 0.00 0.00 0.00 0.00 0.00 53.44 48.95 1jex n ALA 50 Cb 0.83 -1.90 0.00 0.00 0.00 0.00 0.00 19.45 18.38 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 -0.01 0.12 0.00 0.00 0.00 -1.26 -3.82 105.19 100.22 1jex n GLY 51 Ca 0.43 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.38 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 -0.79 2.63 3.32 -0.02 0.00 -1.26 -4.76 105.19 104.31 1jex n GLY 52 Ca 0.00 -1.43 -0.36 0.00 0.00 0.00 0.00 46.02 44.23 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 -0.37 4.82 0.03 1.61 -4.77 -1.26 -3.66 116.67 113.06 1jex s ASP 53 Ca 0.00 -0.61 0.24 0.00 -3.30 0.00 0.00 52.55 48.88 1jex s ASP 53 Cb 0.00 -1.82 0.21 0.00 -1.09 0.00 0.00 42.92 40.22 1jex s ASP 53 CO 0.00 -0.13 1.18 0.00 0.70 0.00 0.00 175.17 176.93 1jex n ALA 54 N 4.82 3.57 0.05 2.11 0.00 -1.26 -4.04 120.51 125.77 1jex n ALA 54 Ca -0.16 -0.39 0.21 0.00 0.00 0.00 0.00 53.44 53.10 1jex n ALA 54 Cb 0.49 -1.02 0.66 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 0.23 0.03 0.00 1.03 -1.92 3.28 112.91 115.56 1jex h THR 55 Ca 0.00 0.00 -0.19 0.00 -0.01 0.00 0.00 66.41 66.21 1jex h THR 55 Cb 0.62 0.47 0.02 0.00 -1.07 0.00 0.00 68.15 68.19 1jex h THR 55 CO 0.00 0.00 -0.77 1.05 -0.01 0.00 0.00 175.52 175.79 1jex h GLU 56 N 0.00 0.47 0.00 0.00 4.11 -1.96 -1.11 114.58 116.09 1jex h GLU 56 Ca 0.24 -0.54 -0.23 0.00 0.07 0.00 0.00 59.36 58.90 1jex h GLU 56 Cb 1.52 0.16 -0.04 0.00 0.50 0.00 0.00 28.75 30.90 1jex h GLU 56 CO -0.00 1.19 -1.26 -0.91 0.07 0.00 0.00 179.01 178.10 1jex h ASN 57 N -0.02 0.00 -0.28 3.06 4.21 -0.12 -2.88 115.58 119.55 1jex h ASN 57 Ca -0.10 0.00 -0.18 0.00 1.21 0.00 0.00 56.30 57.22 1jex h ASN 57 Cb 1.48 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 38.68 1jex h ASN 57 CO 0.15 0.93 -0.52 0.15 -1.29 0.00 0.00 177.43 176.84 1jex h PHE 58 N 0.00 1.09 0.00 1.19 3.04 0.56 -2.94 116.94 119.88 1jex h PHE 58 Ca -0.13 -0.38 -0.02 0.00 3.98 0.00 0.00 57.97 61.43 1jex h PHE 58 Cb 1.82 -0.21 -0.00 0.00 2.56 0.00 0.00 35.95 40.12 1jex h PHE 58 CO 0.00 1.21 -0.10 1.05 -2.02 0.00 0.00 178.31 178.45 1jex h GLU 59 N 0.68 0.00 0.73 1.11 -0.00 -1.30 -3.19 114.58 112.61 1jex h GLU 59 Ca 0.02 0.00 -0.03 0.00 -0.00 0.00 0.00 59.36 59.35 1jex h GLU 59 Cb 1.13 0.00 0.01 0.00 -0.00 0.00 0.00 28.75 29.88 1jex h GLU 59 CO 0.12 0.10 -0.37 0.22 -0.00 0.00 0.00 179.01 179.08 1jex h ASP 60 N 0.00 -0.87 0.18 3.06 1.82 -1.32 -0.97 116.42 118.31 1jex h ASP 60 Ca -0.00 0.03 0.00 0.00 -0.39 0.00 0.00 57.03 56.67 1jex h ASP 60 Cb 0.91 0.23 0.00 0.00 0.68 0.00 0.00 39.33 41.15 1jex h ASP 60 CO 0.01 -0.61 0.00 1.62 -1.61 0.00 0.00 179.24 178.65 1jex h VAL 61 N -1.00 0.00 -4.49 2.25 3.04 -1.60 -3.47 116.25 110.98 1jex h VAL 61 Ca -0.10 -0.07 0.00 0.00 -1.01 0.00 0.00 66.70 65.52 1jex h VAL 61 Cb 0.78 0.77 0.00 0.00 -2.01 0.00 0.00 31.29 30.82 1jex h VAL 61 CO 0.15 0.00 -0.35 0.61 -1.01 0.00 0.00 177.57 176.98 1jex n GLY 62 N -0.96 -1.28 3.76 3.17 0.00 -0.37 -4.97 105.19 104.55 1jex n GLY 62 Ca -0.01 0.76 -0.40 0.00 0.00 0.00 0.00 46.02 46.36 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 -1.99 3.48 0.34 1.61 3.76 -1.24 -4.98 115.29 116.28 1jex s HIS 63 Ca 0.15 1.65 -0.29 0.00 -0.15 0.00 0.00 55.06 56.43 1jex s HIS 63 Cb -0.04 -3.35 -0.10 0.00 1.11 0.00 0.00 32.58 30.19 1jex s HIS 63 CO 0.51 -0.78 1.36 0.45 -0.85 0.00 0.00 174.74 175.43 1jex s SER 64 N -0.81 6.65 0.38 1.40 0.15 -1.26 -4.85 113.70 115.35 1jex s SER 64 Ca 0.45 2.79 0.25 0.00 0.70 0.00 0.00 55.95 60.15 1jex s SER 64 Cb -0.33 -2.65 1.37 0.00 -1.71 0.00 0.00 66.02 62.69 1jex s SER 64 CO 0.43 -0.64 1.77 0.00 1.20 0.00 0.00 173.24 176.00 1jex h THR 65 N 3.03 0.00 -0.18 6.45 1.03 -2.05 0.49 112.91 121.68 1jex h THR 65 Ca -0.49 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 65.91 1jex h THR 65 Cb 1.23 0.56 0.00 0.00 -1.07 0.00 0.00 68.15 68.87 1jex h THR 65 CO 0.65 0.00 0.00 0.47 -0.01 0.00 0.00 175.52 176.63 1jex n ASP 66 N -2.39 1.10 0.11 0.00 9.92 -1.26 -3.26 116.55 120.77 1jex n ASP 66 Ca -0.02 -1.86 0.04 0.00 -0.53 0.00 0.00 54.79 52.43 1jex n ASP 66 Cb 0.05 -0.12 0.00 0.00 -0.64 0.00 0.00 41.12 40.42 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 1.28 0.49 -0.50 2.53 3.04 -0.36 -3.28 116.25 119.46 1jex h VAL 67 Ca 0.00 -1.79 0.15 0.00 -1.01 0.00 0.00 66.70 64.04 1jex h VAL 67 Cb 0.29 2.09 -0.02 0.00 -2.01 0.00 0.00 31.29 31.64 1jex h VAL 67 CO 0.00 0.28 0.43 -0.09 -1.01 0.00 0.00 177.57 177.18 1jex h ARG 68 N 0.00 0.00 0.00 4.17 9.65 -1.72 0.52 114.38 126.99 1jex h ARG 68 Ca -0.05 0.00 -0.18 0.00 -1.10 0.00 0.00 59.98 58.64 1jex h ARG 68 Cb 1.34 0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 29.89 1jex h ARG 68 CO 0.04 0.00 -1.22 1.05 2.80 0.00 0.00 179.97 182.64 1jex h GLU 69 N 0.00 0.00 0.56 0.20 4.11 -1.83 -3.37 114.58 114.25 1jex h GLU 69 Ca 0.24 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.65 1jex h GLU 69 Cb 1.09 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.32 1jex h GLU 69 CO -0.00 0.47 -0.50 -0.07 0.07 0.00 0.00 179.01 178.98 1jex h LEU 70 N 0.00 -1.34 -5.50 3.06 -0.00 -0.08 -2.87 115.31 108.58 1jex h LEU 70 Ca -0.13 0.10 -0.71 0.00 -0.00 0.00 0.00 57.88 57.13 1jex h LEU 70 Cb 1.65 0.43 -0.06 0.00 -0.00 0.00 0.00 40.66 42.68 1jex h LEU 70 CO 0.07 -0.68 3.01 -1.54 -0.00 0.00 0.00 178.44 179.30 1jex n SER 71 N -5.48 7.71 -0.02 -0.43 3.41 -1.05 -4.47 113.62 113.29 1jex n SER 71 Ca -0.12 -2.89 -0.20 0.00 -0.26 0.00 0.00 58.87 55.39 1jex n SER 71 Cb 0.46 -1.47 -0.13 0.00 -0.26 0.00 0.00 64.21 62.81 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 4.98 0.16 0.00 4.33 1.57 -1.69 -3.36 116.57 122.56 1jex h LYS 72 Ca 0.73 -0.27 0.00 0.00 -1.87 0.00 0.00 60.65 59.24 1jex h LYS 72 Cb 0.35 0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.77 1jex h LYS 72 CO 1.65 1.13 -0.95 2.41 -0.57 0.00 0.00 179.45 183.12 1jex n THR 73 N -4.15 0.09 0.05 -0.16 -1.04 -1.26 -4.00 114.28 103.81 1jex n THR 73 Ca -0.23 -0.14 -0.01 0.00 -2.04 0.00 0.00 64.05 61.63 1jex n THR 73 Cb 0.78 0.40 0.16 0.00 -1.82 0.00 0.00 70.33 69.86 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 -1.76 1.13 -3.60 -1.42 4.01 -1.26 -4.88 117.16 109.37 1jex n TYR 74 Ca 0.03 -0.57 -0.33 0.00 -0.16 0.00 0.00 57.90 56.87 1jex n TYR 74 Cb 0.39 -0.38 -0.05 0.00 -0.31 0.00 0.00 39.34 39.00 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 -1.77 5.11 -0.08 -0.72 -1.09 -1.26 0.77 121.20 122.18 1jex s ILE 75 Ca 0.26 0.23 -0.00 0.00 -2.23 0.00 0.00 60.65 58.92 1jex s ILE 75 Cb 0.21 -3.63 -0.05 0.00 -1.58 0.00 0.00 42.46 37.41 1jex s ILE 75 CO 0.07 0.11 -0.07 2.30 -1.23 0.00 0.00 174.94 176.11 1jex n ILE 76 N 0.33 0.43 0.00 2.92 -5.35 -1.22 -4.63 119.36 111.83 1jex n ILE 76 Ca -0.04 -0.16 0.00 0.00 -0.27 0.00 0.00 62.75 62.28 1jex n ILE 76 Cb 0.52 -0.88 0.00 0.00 -1.74 0.00 0.00 39.64 37.54 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 3.06 -0.05 3.39 3.28 0.00 -1.17 -4.77 105.19 108.93 1jex n GLY 77 Ca -0.14 -0.11 0.02 0.00 0.00 0.00 0.00 46.02 45.79 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 0.29 0.84 1.61 -1.05 -1.26 -3.31 118.70 115.82 1jex s GLU 78 Ca 0.00 0.72 -0.14 0.00 -0.15 0.00 0.00 54.97 55.40 1jex s GLU 78 Cb 0.00 0.43 0.02 0.00 -0.44 0.00 0.00 34.13 34.14 1jex s GLU 78 CO 0.00 -0.10 0.58 1.47 0.95 0.00 0.00 175.26 178.16 1jex n LEU 79 N 4.98 0.91 -3.48 1.83 -0.00 -1.26 -4.06 117.00 115.93 1jex n LEU 79 Ca -0.09 0.47 -0.37 0.00 -0.00 0.00 0.00 56.01 56.02 1jex n LEU 79 Cb 0.53 -1.26 -0.02 0.00 -0.00 0.00 0.00 43.42 42.67 1jex n LEU 79 CO -0.05 -3.13 -0.13 1.57 -0.00 0.00 0.00 177.39 175.66 1jex n HIS 80 N -3.10 -0.84 0.12 1.47 -0.00 -0.23 -4.68 115.22 107.97 1jex n HIS 80 Ca 0.09 0.68 -0.02 0.00 -0.00 0.00 0.00 57.72 58.47 1jex n HIS 80 Cb 0.52 -1.51 0.10 0.00 -0.00 0.00 0.00 29.99 29.10 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 0.61 0.00 -0.20 1.57 0.13 -1.92 -1.08 132.00 131.12 1jex h PRO 81 Ca -0.25 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.74 1jex h PRO 81 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1jex h PRO 81 CO 0.43 0.68 -0.44 0.22 -0.23 0.00 0.00 178.00 178.65 1jex h ASP 82 N 0.00 0.73 0.30 1.44 3.58 -1.99 -2.71 116.42 117.77 1jex h ASP 82 Ca -0.01 -0.56 -0.13 0.00 0.42 0.00 0.00 57.03 56.75 1jex h ASP 82 Cb 1.27 -0.21 -0.01 0.00 1.72 0.00 0.00 39.33 42.10 1jex h ASP 82 CO 0.09 1.16 -0.53 0.44 -2.88 0.00 0.00 179.24 177.52 1jex h ASP 83 N 0.33 0.27 -0.18 2.28 5.19 -1.90 -2.19 116.42 120.23 1jex h ASP 83 Ca 0.00 -0.14 -0.01 0.00 -0.62 0.00 0.00 57.03 56.26 1jex h ASP 83 Cb 1.05 -0.08 -0.01 0.00 0.18 0.00 0.00 39.33 40.47 1jex h ASP 83 CO 0.10 0.75 0.08 -0.09 -3.12 0.00 0.00 179.24 176.96 1jex h ARG 84 N 0.19 0.32 0.00 3.56 1.12 -1.09 0.46 114.38 118.94 1jex h ARG 84 Ca 0.00 -0.03 0.00 0.00 -1.11 0.00 0.00 59.98 58.84 1jex h ARG 84 Cb 1.00 -0.06 0.00 0.00 -0.01 0.00 0.00 29.97 30.89 1jex h ARG 84 CO 0.08 0.28 -0.47 0.45 -3.11 0.00 0.00 179.97 177.20 1jex n SER 85 N -4.43 0.50 0.07 -3.80 2.88 -1.03 -3.58 113.62 104.22 1jex n SER 85 Ca 0.00 -0.04 -0.08 0.00 -1.33 0.00 0.00 58.87 57.43 1jex n SER 85 Cb 0.13 0.12 -0.11 0.00 -0.75 0.00 0.00 64.21 63.60 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 0.03 0.00 -1.46 1.57 -0.30 -2.98 116.57 113.42 1jex h LYS 86 Ca 0.00 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1jex h LYS 86 Cb 0.57 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.90 1jex h LYS 86 CO 0.00 1.01 0.00 -0.89 -0.57 0.00 0.00 179.45 179.00 1jex n ILE 87 N -3.39 1.12 0.77 1.86 2.08 -0.78 -5.09 119.36 115.92 1jex n ILE 87 Ca -0.01 0.28 0.06 0.00 0.56 0.00 0.00 62.75 63.64 1jex n ILE 87 Cb 0.93 -1.08 0.37 0.00 -0.75 0.00 0.00 39.64 39.11 1jex n ILE 87 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11