#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 4.17 -1.08 1.45 2.47 -1.26 -4.98 119.74 120.50 1jex s LYS 5 Ca 0.00 0.27 -0.22 0.00 -1.56 0.00 0.00 55.97 54.46 1jex s LYS 5 Cb 0.00 -3.55 0.06 0.00 -1.46 0.00 0.00 37.83 32.88 1jex s LYS 5 CO 0.00 -0.09 1.51 0.71 0.16 0.00 0.00 175.35 177.65 1jex s TYR 6 N 1.45 2.60 -0.18 4.03 2.02 -1.26 -4.52 117.35 121.50 1jex s TYR 6 Ca 0.21 -1.04 -0.12 0.00 -0.37 0.00 0.00 57.07 55.74 1jex s TYR 6 Cb -0.15 -4.70 -0.05 0.00 -0.40 0.00 0.00 41.96 36.66 1jex s TYR 6 CO 0.09 -1.90 0.24 1.52 -1.57 0.00 0.00 175.55 173.92 1jex s TYR 7 N 4.75 3.44 0.74 2.71 -0.85 -1.26 -4.16 117.35 122.71 1jex s TYR 7 Ca 0.48 0.49 -0.11 0.00 -0.52 0.00 0.00 57.07 57.40 1jex s TYR 7 Cb 0.01 -2.28 0.04 0.00 0.38 0.00 0.00 41.96 40.10 1jex s TYR 7 CO -0.06 0.24 1.09 0.95 -1.52 0.00 0.00 175.55 176.26 1jex s THR 8 N 0.47 3.37 0.53 -3.49 -4.23 -1.26 -2.40 115.64 108.63 1jex s THR 8 Ca 0.13 0.44 0.43 0.00 -1.18 0.00 0.00 61.69 61.52 1jex s THR 8 Cb -0.12 -3.33 0.64 0.00 1.34 0.00 0.00 72.50 71.04 1jex s THR 8 CO 0.02 -0.58 1.65 -0.07 -0.54 0.00 0.00 174.62 175.10 1jex h LEU 9 N -0.83 0.05 -1.51 4.79 4.07 -1.95 1.38 115.31 121.31 1jex h LEU 9 Ca -0.46 0.02 0.11 0.00 0.08 0.00 0.00 57.88 57.64 1jex h LEU 9 Cb 1.26 0.02 -0.02 0.00 1.08 0.00 0.00 40.66 43.00 1jex h LEU 9 CO 0.62 -0.03 0.67 -0.08 -1.08 0.00 0.00 178.44 178.54 1jex h GLU 10 N 0.02 0.00 0.00 1.13 4.81 -1.97 1.68 114.58 120.25 1jex h GLU 10 Ca 0.81 0.00 -0.26 0.00 -0.13 0.00 0.00 59.36 59.78 1jex h GLU 10 Cb 3.12 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 32.46 1jex h GLU 10 CO -0.08 0.00 -1.85 0.39 -0.73 0.00 0.00 179.01 176.74 1jex n GLU 11 N -3.24 0.55 -0.12 1.92 -0.58 0.47 -4.31 120.64 115.34 1jex n GLU 11 Ca 0.08 0.23 0.15 0.00 -0.42 0.00 0.00 57.16 57.20 1jex n GLU 11 Cb 0.82 -1.44 0.52 0.00 -0.57 0.00 0.00 31.44 30.77 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 -0.98 0.82 -0.93 -3.67 5.03 -1.23 0.15 117.51 116.71 1jex h ILE 12 Ca -0.39 -0.13 0.09 0.00 -0.12 0.00 0.00 64.86 64.31 1jex h ILE 12 Cb 1.33 0.42 -0.07 0.00 -3.03 0.00 0.00 36.82 35.47 1jex h ILE 12 CO -0.24 0.07 0.60 1.56 -0.68 0.00 0.00 178.15 179.46 1jex h GLN 13 N 0.38 0.95 0.00 2.37 1.08 0.23 0.73 115.11 120.85 1jex h GLN 13 Ca 0.33 -0.06 0.00 0.00 -1.45 0.00 0.00 58.65 57.47 1jex h GLN 13 Cb 0.76 -0.21 0.00 0.00 -0.05 0.00 0.00 27.48 27.97 1jex h GLN 13 CO -0.09 0.63 0.00 1.17 -0.95 0.00 0.00 178.83 179.59 1jex n LYS 14 N -4.53 0.09 -1.96 1.46 3.00 0.53 -2.69 118.16 114.06 1jex n LYS 14 Ca 0.16 0.17 -0.33 0.00 -0.00 0.00 0.00 58.31 58.31 1jex n LYS 14 Cb 0.28 -1.50 0.03 0.00 0.00 0.00 0.00 35.03 33.84 1jex n LYS 14 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 1jex n HIS 15 N -1.42 3.12 -2.60 5.64 8.25 0.26 -4.74 115.22 123.72 1jex n HIS 15 Ca 0.06 -2.68 -0.34 0.00 -0.26 0.00 0.00 57.72 54.50 1jex n HIS 15 Cb 0.18 -0.80 -0.00 0.00 1.12 0.00 0.00 29.99 30.49 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 -0.64 3.92 -3.57 -0.41 4.81 -1.04 -3.20 118.16 118.05 1jex n LYS 16 Ca 0.50 -4.52 -0.16 0.00 -0.87 0.00 0.00 58.31 53.26 1jex n LYS 16 Cb 0.57 -2.32 -0.06 0.00 0.02 0.00 0.00 35.03 33.24 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 -2.40 -0.51 0.18 3.14 2.15 0.30 -5.01 116.67 114.52 1jex s ASP 17 Ca 0.46 0.40 -0.20 0.00 0.43 0.00 0.00 52.55 53.65 1jex s ASP 17 Cb 0.30 0.50 0.11 0.00 -0.30 0.00 0.00 42.92 43.52 1jex s ASP 17 CO -0.19 -0.65 1.35 -1.54 -0.17 0.00 0.00 175.17 173.98 1jex n SER 18 N 0.71 -0.70 -0.29 -0.34 3.41 -1.26 0.15 113.62 115.30 1jex n SER 18 Ca -0.19 1.54 0.01 0.00 -0.26 0.00 0.00 58.87 59.97 1jex n SER 18 Cb 0.58 -0.29 0.08 0.00 -0.26 0.00 0.00 64.21 64.32 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 -0.03 -3.46 4.33 1.63 -1.96 -3.35 116.57 113.73 1jex h LYS 19 Ca 0.24 0.00 -0.50 0.00 -0.85 0.00 0.00 60.65 59.54 1jex h LYS 19 Cb 0.46 0.01 -0.40 0.00 -0.60 0.00 0.00 32.23 31.70 1jex h LYS 19 CO -0.85 -0.02 -0.76 0.45 -3.45 0.00 0.00 179.45 174.82 1jex s SER 20 N -5.25 2.73 -0.09 4.20 0.15 0.40 -4.90 113.70 110.94 1jex s SER 20 Ca -0.15 -0.74 -0.03 0.00 0.70 0.00 0.00 55.95 55.73 1jex s SER 20 Cb 0.22 -0.52 0.04 0.00 -1.71 0.00 0.00 66.02 64.05 1jex s SER 20 CO 0.74 -0.31 0.10 -0.89 1.20 0.00 0.00 173.24 174.08 1jex s THR 21 N 1.92 -0.15 0.29 6.45 2.01 -0.97 -0.54 115.64 124.65 1jex s THR 21 Ca -0.00 0.25 0.00 0.00 0.31 0.00 0.00 61.69 62.26 1jex s THR 21 Cb -0.17 -0.30 -0.00 0.00 0.01 0.00 0.00 72.50 72.04 1jex s THR 21 CO -0.08 0.05 0.01 0.79 -0.69 0.00 0.00 174.62 174.70 1jex n TRP 22 N 5.30 0.60 -3.17 4.92 8.01 -1.23 -2.45 117.44 129.42 1jex n TRP 22 Ca -0.04 -1.49 0.03 0.00 -1.31 0.00 0.00 57.50 54.68 1jex n TRP 22 Cb 0.50 -0.17 -0.01 0.00 -2.01 0.00 0.00 31.31 29.62 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 -2.15 -0.97 -0.53 -0.99 -7.23 -1.06 -3.96 120.40 103.51 1jex s VAL 23 Ca 0.02 -0.01 -0.27 0.00 -1.81 0.00 0.00 61.98 59.91 1jex s VAL 23 Cb 0.00 -0.99 -0.03 0.00 0.56 0.00 0.00 36.38 35.93 1jex s VAL 23 CO 0.01 -0.01 1.93 0.27 -0.31 0.00 0.00 175.10 176.99 1jex s ILE 24 N 2.83 3.33 -0.15 -0.62 -5.25 -1.24 -2.84 121.20 117.25 1jex s ILE 24 Ca 0.19 0.23 0.02 0.00 -0.99 0.00 0.00 60.65 60.10 1jex s ILE 24 Cb -0.14 -3.74 0.02 0.00 2.95 0.00 0.00 42.46 41.54 1jex s ILE 24 CO -0.21 -0.67 -0.20 -1.48 -1.79 0.00 0.00 174.94 170.59 1jex s LEU 25 N 9.09 2.02 -1.34 0.37 0.05 -0.05 -3.69 118.68 125.13 1jex s LEU 25 Ca 0.74 -0.59 -0.05 0.00 0.05 0.00 0.00 54.13 54.29 1jex s LEU 25 Cb -0.15 -1.39 0.01 0.00 -2.05 0.00 0.00 46.19 42.60 1jex s LEU 25 CO 0.24 0.03 0.61 1.41 -0.55 0.00 0.00 176.35 178.09 1jex n HIS 26 N 4.38 -1.84 -0.84 3.48 8.25 -1.26 -0.44 115.22 126.94 1jex n HIS 26 Ca -0.20 0.52 0.00 0.00 -0.26 0.00 0.00 57.72 57.78 1jex n HIS 26 Cb 0.51 -4.15 0.00 0.00 1.12 0.00 0.00 29.99 27.47 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 -4.41 0.00 -4.00 4.41 -0.00 -1.26 -4.94 115.22 105.02 1jex n HIS 27 Ca -0.08 0.00 -0.33 0.00 -0.00 0.00 0.00 57.72 57.30 1jex n HIS 27 Cb 0.60 -0.82 -0.14 0.00 -0.00 0.00 0.00 29.99 29.63 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 -0.66 2.26 0.13 1.57 3.01 0.41 -3.42 119.74 123.05 1jex s LYS 28 Ca 0.00 -1.36 -0.25 0.00 -1.01 0.00 0.00 55.97 53.35 1jex s LYS 28 Cb 0.00 -3.04 -0.07 0.00 -1.01 0.00 0.00 37.83 33.71 1jex s LYS 28 CO 0.00 -0.62 0.75 0.54 0.51 0.00 0.00 175.35 176.53 1jex s VAL 29 N 1.15 4.47 -0.07 3.17 0.11 -1.22 -0.87 120.40 127.15 1jex s VAL 29 Ca -0.06 1.64 0.06 0.00 -2.93 0.00 0.00 61.98 60.69 1jex s VAL 29 Cb -0.20 -4.11 -0.01 0.00 -1.53 0.00 0.00 36.38 30.53 1jex s VAL 29 CO -0.04 0.50 -0.25 -0.31 -3.33 0.00 0.00 175.10 171.67 1jex s TYR 30 N -0.93 2.47 -1.23 1.54 1.51 -1.13 -3.09 117.35 116.49 1jex s TYR 30 Ca 0.36 -0.78 -0.12 0.00 -1.01 0.00 0.00 57.07 55.51 1jex s TYR 30 Cb -0.22 -1.62 0.17 0.00 -0.11 0.00 0.00 41.96 40.18 1jex s TYR 30 CO 0.25 -0.25 1.56 -3.47 -1.11 0.00 0.00 175.55 172.53 1jex n ASP 31 N 3.06 5.20 -0.46 2.29 2.03 -1.20 -2.57 116.55 124.90 1jex n ASP 31 Ca -0.18 -3.02 0.01 0.00 0.52 0.00 0.00 54.79 52.12 1jex n ASP 31 Cb 0.52 -1.54 0.05 0.00 -0.72 0.00 0.00 41.12 39.43 1jex n ASP 31 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1jex n LEU 32 N 5.06 1.13 0.30 -2.67 -0.00 -1.17 -3.78 117.00 115.88 1jex n LEU 32 Ca 0.38 -0.57 0.19 0.00 -0.00 0.00 0.00 56.01 56.01 1jex n LEU 32 Cb 0.41 -0.33 0.94 0.00 -0.00 0.00 0.00 43.42 44.44 1jex n LEU 32 CO 0.68 0.22 1.08 0.00 -0.00 0.00 0.00 177.39 179.38 1jex h THR 33 N 0.51 0.09 0.00 1.47 1.03 -1.77 1.52 112.91 115.76 1jex h THR 33 Ca 0.00 -0.28 -0.17 0.00 -0.01 0.00 0.00 66.41 65.95 1jex h THR 33 Cb 0.45 1.25 -0.03 0.00 -1.07 0.00 0.00 68.15 68.76 1jex h THR 33 CO 0.04 0.02 -1.07 1.17 -0.01 0.00 0.00 175.52 175.66 1jex n LYS 34 N -3.17 0.53 -0.14 0.00 3.00 -1.25 -4.12 118.16 113.01 1jex n LYS 34 Ca -0.01 0.56 0.03 0.00 -0.00 0.00 0.00 58.31 58.88 1jex n LYS 34 Cb 0.19 -1.73 0.10 0.00 0.00 0.00 0.00 35.03 33.59 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 0.34 -0.27 5.64 -0.00 -1.13 -4.05 117.46 113.51 1jex n PHE 35 Ca -0.25 -0.15 0.01 0.00 -0.00 0.00 0.00 57.45 57.05 1jex n PHE 35 Cb 0.56 -0.04 0.13 0.00 -0.00 0.00 0.00 39.48 40.13 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 1.21 0.67 -0.10 -2.13 6.46 0.20 0.15 115.31 121.77 1jex h LEU 36 Ca 0.00 0.03 -0.05 0.00 -0.12 0.00 0.00 57.88 57.74 1jex h LEU 36 Cb 0.41 -0.10 -0.01 0.00 -0.73 0.00 0.00 40.66 40.23 1jex h LEU 36 CO 0.03 0.41 -0.26 -0.08 -0.62 0.00 0.00 178.44 177.92 1jex h GLU 37 N 0.80 0.00 -0.00 1.25 4.81 -1.82 -2.96 114.58 116.65 1jex h GLU 37 Ca 0.35 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.58 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 -0.20 0.26 -0.05 0.39 -0.73 0.00 0.00 179.01 178.68 1jex n GLU 38 N -3.18 0.64 -3.19 1.92 1.02 0.08 -4.79 120.64 113.14 1jex n GLU 38 Ca 0.03 -0.11 -0.39 0.00 -0.02 0.00 0.00 57.16 56.67 1jex n GLU 38 Cb 0.62 -1.50 -0.05 0.00 -0.02 0.00 0.00 31.44 30.49 1jex n GLU 38 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 1jex s HIS 39 N -2.44 3.59 -1.18 -0.32 2.46 0.29 -4.94 115.29 112.75 1jex s HIS 39 Ca 0.32 1.11 0.22 0.00 0.47 0.00 0.00 55.06 57.17 1jex s HIS 39 Cb 0.20 -2.65 1.02 0.00 -0.13 0.00 0.00 32.58 31.03 1jex s HIS 39 CO 0.45 0.21 1.71 -0.35 -2.47 0.00 0.00 174.74 174.29 1jex n PRO 40 N 3.38 0.14 0.00 2.88 -0.04 -1.26 -4.07 135.00 136.02 1jex n PRO 40 Ca -0.05 0.10 0.00 0.00 -0.04 0.00 0.00 63.50 63.51 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 0.70 -2.09 0.00 0.55 0.00 -1.26 -5.06 105.19 98.03 1jex n GLY 41 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 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 0.07 0.98 0.00 -0.02 0.00 -1.26 -5.00 105.19 99.97 1jex n GLY 42 Ca 0.00 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.21 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 4.97 0.00 1.61 2.13 -1.26 -4.48 120.64 123.61 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 -0.55 0.00 0.00 0.27 0.00 0.00 31.44 31.16 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 -0.97 1.13 -0.10 5.31 2.13 -1.26 -4.40 120.64 122.48 1jex n GLU 44 Ca 0.00 -0.45 -0.11 0.00 0.66 0.00 0.00 57.16 57.26 1jex n GLU 44 Cb 0.00 -0.92 -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 -0.19 1.40 0.04 6.31 3.14 -1.26 -2.63 118.33 125.13 1jex n VAL 45 Ca 0.01 -0.83 -0.12 0.00 -2.96 0.00 0.00 64.34 60.43 1jex n VAL 45 Cb 0.04 -0.55 -0.01 0.00 -1.06 0.00 0.00 33.84 32.26 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 0.61 0.00 6.55 3.38 -1.81 -3.18 115.31 120.86 1jex h LEU 46 Ca -0.55 -0.41 -0.18 0.00 0.09 0.00 0.00 57.88 56.83 1jex h LEU 46 Cb 2.22 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 42.76 1jex h LEU 46 CO 0.02 1.17 -1.21 0.08 0.09 0.00 0.00 178.44 178.59 1jex h ARG 47 N 0.34 0.00 -0.10 1.13 0.11 -1.77 -3.31 114.38 110.78 1jex h ARG 47 Ca -0.04 0.00 0.03 0.00 0.10 0.00 0.00 59.98 60.06 1jex h ARG 47 Cb 1.37 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.45 1jex h ARG 47 CO 0.14 0.44 0.47 0.93 0.10 0.00 0.00 179.97 182.05 1jex h GLU 48 N 0.00 0.00 0.00 0.08 4.39 -1.48 1.06 114.58 118.63 1jex h GLU 48 Ca -0.13 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.56 1jex h GLU 48 Cb 1.62 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 30.26 1jex h GLU 48 CO 0.06 0.00 -0.41 1.04 -1.16 0.00 0.00 179.01 178.55 1jex n GLN 49 N -2.99 1.45 -2.03 2.33 6.02 -1.24 -4.84 117.38 116.08 1jex n GLN 49 Ca 0.01 -3.08 -0.40 0.00 -0.01 0.00 0.00 57.00 53.51 1jex n GLN 49 Cb 0.54 -1.53 -0.00 0.00 1.02 0.00 0.00 30.24 30.27 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 -1.12 6.73 0.00 -1.58 0.00 0.37 -3.71 120.51 121.18 1jex n ALA 50 Ca 0.18 -4.11 0.00 0.00 0.00 0.00 0.00 53.44 49.50 1jex n ALA 50 Cb 0.69 -2.76 0.00 0.00 0.00 0.00 0.00 19.45 17.39 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 1.70 0.12 0.00 0.00 0.00 -1.26 -4.30 105.19 101.44 1jex n GLY 51 Ca 0.61 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.57 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 -0.78 2.93 3.37 -0.02 0.00 -1.24 -4.84 105.19 104.60 1jex n GLY 52 Ca 0.00 -0.99 -0.35 0.00 0.00 0.00 0.00 46.02 44.68 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 0.23 4.60 0.00 1.61 -4.77 -1.26 -3.71 116.67 113.37 1jex s ASP 53 Ca 0.00 -0.32 0.22 0.00 -3.30 0.00 0.00 52.55 49.15 1jex s ASP 53 Cb 0.00 -1.80 -0.20 0.00 -1.09 0.00 0.00 42.92 39.83 1jex s ASP 53 CO 0.00 -0.02 0.79 0.00 0.70 0.00 0.00 175.17 176.65 1jex n ALA 54 N 4.77 3.83 -0.16 2.11 0.00 -1.24 -4.23 120.51 125.59 1jex n ALA 54 Ca -0.17 -0.53 0.29 0.00 0.00 0.00 0.00 53.44 53.02 1jex n ALA 54 Cb 0.51 -0.81 0.72 0.00 0.00 0.00 0.00 19.45 19.87 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 0.40 -0.25 0.00 1.03 -1.91 2.56 112.91 114.74 1jex h THR 55 Ca 0.00 0.00 -0.15 0.00 -0.01 0.00 0.00 66.41 66.25 1jex h THR 55 Cb 0.71 0.48 -0.00 0.00 -1.07 0.00 0.00 68.15 68.27 1jex h THR 55 CO 0.00 0.00 -0.42 1.05 -0.01 0.00 0.00 175.52 176.14 1jex h GLU 56 N 0.00 0.72 0.10 0.00 4.11 -1.94 0.94 114.58 118.52 1jex h GLU 56 Ca 0.42 -0.45 -0.30 0.00 0.07 0.00 0.00 59.36 59.10 1jex h GLU 56 Cb 1.84 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 31.12 1jex h GLU 56 CO -0.00 1.07 -1.52 -0.91 0.07 0.00 0.00 179.01 177.72 1jex h ASN 57 N 0.45 0.34 -0.58 3.06 4.21 -0.11 -2.63 115.58 120.32 1jex h ASN 57 Ca 0.02 -0.48 -0.10 0.00 1.21 0.00 0.00 56.30 56.95 1jex h ASN 57 Cb 1.02 -0.11 -0.02 0.00 -1.12 0.00 0.00 38.32 38.09 1jex h ASN 57 CO 0.10 1.40 -0.01 0.15 -1.29 0.00 0.00 177.43 177.78 1jex h PHE 58 N 0.06 1.14 0.00 1.19 3.04 0.41 -2.53 116.94 120.25 1jex h PHE 58 Ca -0.23 -0.20 -0.04 0.00 3.98 0.00 0.00 57.97 61.48 1jex h PHE 58 Cb 2.00 -0.30 -0.01 0.00 2.56 0.00 0.00 35.95 40.21 1jex h PHE 58 CO 0.05 1.01 -0.20 1.05 -2.02 0.00 0.00 178.31 178.21 1jex h GLU 59 N 0.96 0.00 0.62 1.11 -0.00 -0.91 -3.24 114.58 113.11 1jex h GLU 59 Ca 0.17 0.00 -0.03 0.00 -0.00 0.00 0.00 59.36 59.50 1jex h GLU 59 Cb 0.56 0.00 0.01 0.00 -0.00 0.00 0.00 28.75 29.32 1jex h GLU 59 CO 0.03 0.20 -0.30 0.22 -0.00 0.00 0.00 179.01 179.16 1jex h ASP 60 N 0.00 -0.70 0.00 3.06 1.82 -1.06 -1.26 116.42 118.28 1jex h ASP 60 Ca -0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1jex h ASP 60 Cb 1.10 0.18 0.00 0.00 0.68 0.00 0.00 39.33 41.29 1jex h ASP 60 CO 0.03 -0.46 0.01 1.62 -1.61 0.00 0.00 179.24 178.83 1jex h VAL 61 N -0.90 0.00 -4.70 2.25 3.04 -1.58 -3.46 116.25 110.90 1jex h VAL 61 Ca -0.08 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.61 1jex h VAL 61 Cb 0.66 0.66 0.00 0.00 -2.01 0.00 0.00 31.29 30.59 1jex h VAL 61 CO 0.14 0.00 -0.40 0.61 -1.01 0.00 0.00 177.57 176.91 1jex n GLY 62 N -1.22 -1.37 3.76 3.17 0.00 -0.47 -4.95 105.19 104.11 1jex n GLY 62 Ca -0.02 0.88 -0.41 0.00 0.00 0.00 0.00 46.02 46.47 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 -2.14 3.26 1.10 1.61 3.76 -1.24 -4.98 115.29 116.66 1jex s HIS 63 Ca 0.17 1.53 -0.17 0.00 -0.15 0.00 0.00 55.06 56.44 1jex s HIS 63 Cb -0.05 -3.52 0.13 0.00 1.11 0.00 0.00 32.58 30.25 1jex s HIS 63 CO 0.58 -1.33 0.25 0.43 -0.85 0.00 0.00 174.74 173.82 1jex n SER 64 N 0.99 -2.17 0.16 1.40 7.64 -1.26 -4.85 113.62 115.53 1jex n SER 64 Ca -0.00 -0.05 0.13 0.00 1.01 0.00 0.00 58.87 59.96 1jex n SER 64 Cb 0.43 -1.06 0.42 0.00 -1.01 0.00 0.00 64.21 62.99 1jex n SER 64 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 1jex h THR 65 N -2.09 0.00 -0.29 0.44 1.35 -2.05 -2.54 112.91 107.73 1jex h THR 65 Ca -0.53 -0.54 0.00 0.00 -0.55 0.00 0.00 66.41 64.79 1jex h THR 65 Cb 1.34 1.47 0.00 0.00 -1.73 0.00 0.00 68.15 69.24 1jex h THR 65 CO 0.39 0.00 0.00 -0.90 -0.25 0.00 0.00 175.52 174.76 1jex n ASP 66 N -2.57 1.81 0.08 5.36 5.68 -1.26 -3.65 116.55 121.99 1jex n ASP 66 Ca 0.04 -1.91 -0.06 0.00 -0.50 0.00 0.00 54.79 52.36 1jex n ASP 66 Cb 0.38 -0.19 -0.07 0.00 -1.14 0.00 0.00 41.12 40.10 1jex n ASP 66 CO 0.00 0.00 0.00 1.62 -1.33 0.00 0.00 177.20 177.49 1jex h VAL 67 N 2.10 1.66 0.00 2.12 3.04 -1.78 -3.10 116.25 120.29 1jex h VAL 67 Ca 0.00 -3.17 -0.04 0.00 -1.01 0.00 0.00 66.70 62.48 1jex h VAL 67 Cb 0.47 2.72 -0.01 0.00 -2.01 0.00 0.00 31.29 32.46 1jex h VAL 67 CO 0.00 0.91 -0.20 0.08 -1.01 0.00 0.00 177.57 177.34 1jex h ARG 68 N 0.00 0.00 -0.62 4.17 0.11 -1.77 -1.06 114.38 115.21 1jex h ARG 68 Ca -0.01 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.07 1jex h ARG 68 Cb 1.65 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.73 1jex h ARG 68 CO 0.12 0.20 0.00 -0.85 0.10 0.00 0.00 179.97 179.55 1jex n GLU 69 N -3.95 4.37 -0.03 0.08 0.28 -1.18 -4.45 120.64 115.77 1jex n GLU 69 Ca -0.02 -3.05 -0.02 0.00 -0.16 0.00 0.00 57.16 53.91 1jex n GLU 69 Cb 0.29 -2.10 -0.01 0.00 1.43 0.00 0.00 31.44 31.05 1jex n GLU 69 CO 0.00 0.00 0.00 1.25 -0.16 0.00 0.00 177.13 178.22 1jex h LEU 70 N 4.08 0.00 -8.13 -1.84 7.12 -1.13 -3.43 115.31 111.97 1jex h LEU 70 Ca 0.00 0.00 -0.66 0.00 0.13 0.00 0.00 57.88 57.35 1jex h LEU 70 Cb 1.74 0.00 -0.17 0.00 -0.53 0.00 0.00 40.66 41.70 1jex h LEU 70 CO 0.37 0.37 0.57 -0.44 -0.13 0.00 0.00 178.44 179.18 1jex s SER 71 N -4.60 6.34 -0.10 1.25 0.01 -1.25 -4.80 113.70 110.55 1jex s SER 71 Ca -0.06 -1.46 -0.11 0.00 1.31 0.00 0.00 55.95 55.63 1jex s SER 71 Cb 0.01 -2.39 -0.04 0.00 0.21 0.00 0.00 66.02 63.81 1jex s SER 71 CO 0.09 -1.24 -0.21 1.17 0.41 0.00 0.00 173.24 173.45 1jex n LYS 72 N 7.02 0.32 -0.03 12.44 3.00 -1.26 -4.24 118.16 135.41 1jex n LYS 72 Ca 0.05 0.13 -0.13 0.00 -0.00 0.00 0.00 58.31 58.36 1jex n LYS 72 Cb 0.46 -1.05 -0.00 0.00 0.00 0.00 0.00 35.03 34.44 1jex n LYS 72 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.40 178.55 1jex h THR 73 N -0.61 1.30 -0.92 3.15 2.02 -1.99 -3.12 112.91 112.74 1jex h THR 73 Ca 0.00 -1.81 0.11 0.00 0.77 0.00 0.00 66.41 65.49 1jex h THR 73 Cb 0.61 1.75 -0.08 0.00 -1.74 0.00 0.00 68.15 68.69 1jex h THR 73 CO 0.00 0.57 0.55 1.88 0.37 0.00 0.00 175.52 178.90 1jex h TYR 74 N 0.54 0.99 -0.99 3.16 0.05 -1.86 -3.43 116.97 115.43 1jex h TYR 74 Ca 0.00 0.03 -0.52 0.00 0.05 0.00 0.00 58.73 58.30 1jex h TYR 74 Cb 1.17 -0.31 0.10 0.00 1.01 0.00 0.00 36.73 38.70 1jex h TYR 74 CO 0.06 0.38 -0.54 -0.89 -1.05 0.00 0.00 178.16 176.12 1jex n ILE 75 N -4.69 1.19 -0.09 -2.88 2.08 -1.18 -3.21 119.36 110.58 1jex n ILE 75 Ca 0.17 -0.40 -0.15 0.00 0.56 0.00 0.00 62.75 62.93 1jex n ILE 75 Cb 0.33 0.00 -0.07 0.00 -0.75 0.00 0.00 39.64 39.15 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 -0.30 1.00 0.00 1.39 -5.35 -1.18 -4.74 119.36 110.18 1jex n ILE 76 Ca 0.12 -0.33 0.00 0.00 -0.27 0.00 0.00 62.75 62.27 1jex n ILE 76 Cb 0.24 -1.36 0.00 0.00 -1.74 0.00 0.00 39.64 36.78 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 2.35 -0.50 3.39 3.28 0.00 -1.19 -4.79 105.19 107.72 1jex n GLY 77 Ca -0.33 0.13 0.02 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 0.29 0.72 1.61 -1.05 -1.26 -3.38 118.70 115.62 1jex s GLU 78 Ca 0.00 0.72 -0.16 0.00 -0.15 0.00 0.00 54.97 55.38 1jex s GLU 78 Cb 0.00 0.43 0.03 0.00 -0.44 0.00 0.00 34.13 34.16 1jex s GLU 78 CO 0.00 -0.11 1.25 -0.48 0.95 0.00 0.00 175.26 176.87 1jex s LEU 79 N 2.46 3.38 0.08 1.83 -0.00 -1.22 -4.15 118.68 121.06 1jex s LEU 79 Ca -0.02 2.49 -0.17 0.00 -0.00 0.00 0.00 54.13 56.42 1jex s LEU 79 Cb -0.06 -4.60 -0.10 0.00 -0.00 0.00 0.00 46.19 41.43 1jex s LEU 79 CO -0.17 -2.29 0.37 1.57 -0.00 0.00 0.00 176.35 175.82 1jex n HIS 80 N -2.54 -0.11 0.29 3.48 -0.00 -1.01 -4.72 115.22 110.62 1jex n HIS 80 Ca 0.15 0.55 0.14 0.00 -0.00 0.00 0.00 57.72 58.56 1jex n HIS 80 Cb 0.49 -1.11 0.43 0.00 -0.00 0.00 0.00 29.99 29.81 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 0.84 0.00 0.12 1.57 0.13 -1.93 -1.89 132.00 130.84 1jex h PRO 81 Ca -0.19 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.79 1jex h PRO 81 Cb 0.80 0.00 0.02 0.00 0.13 0.00 0.00 31.00 31.94 1jex h PRO 81 CO 0.33 0.00 -0.68 0.22 -0.23 0.00 0.00 178.00 177.64 1jex h ASP 82 N 0.00 0.39 0.08 1.44 1.82 -1.98 -2.86 116.42 115.31 1jex h ASP 82 Ca 0.00 -0.96 -0.08 0.00 -0.39 0.00 0.00 57.03 55.60 1jex h ASP 82 Cb 0.72 -0.13 -0.01 0.00 0.68 0.00 0.00 39.33 40.59 1jex h ASP 82 CO 0.00 1.33 -0.25 0.44 -1.61 0.00 0.00 179.24 179.15 1jex h ASP 83 N -0.47 0.30 -0.66 2.28 5.19 -1.89 0.83 116.42 121.99 1jex h ASP 83 Ca -0.12 -0.09 -0.07 0.00 -0.62 0.00 0.00 57.03 56.13 1jex h ASP 83 Cb 1.54 -0.08 -0.03 0.00 0.18 0.00 0.00 39.33 40.94 1jex h ASP 83 CO 0.13 0.56 0.13 -0.09 -3.12 0.00 0.00 179.24 176.85 1jex h ARG 84 N 0.27 1.09 -0.01 3.56 1.12 -1.40 -1.82 114.38 117.20 1jex h ARG 84 Ca 0.04 -0.27 0.00 0.00 -1.11 0.00 0.00 59.98 58.64 1jex h ARG 84 Cb 0.60 -0.14 0.00 0.00 -0.01 0.00 0.00 29.97 30.42 1jex h ARG 84 CO 0.04 0.98 -0.17 0.45 -3.11 0.00 0.00 179.97 178.16 1jex n SER 85 N -4.22 0.75 -0.07 -3.80 2.88 -0.96 -3.59 113.62 104.60 1jex n SER 85 Ca 0.05 -0.74 -0.15 0.00 -1.33 0.00 0.00 58.87 56.70 1jex n SER 85 Cb 0.28 0.02 -0.05 0.00 -0.75 0.00 0.00 64.21 63.70 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 0.90 0.72 -0.00 -1.46 1.57 0.05 -2.78 116.57 115.58 1jex h LYS 86 Ca 0.00 -0.46 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 1jex h LYS 86 Cb 0.43 0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.79 1jex h LYS 86 CO 0.00 1.08 -0.18 -0.89 -0.57 0.00 0.00 179.45 178.89 1jex n ILE 87 N -4.16 0.00 0.91 1.86 5.41 -1.18 -5.08 119.36 117.12 1jex n ILE 87 Ca -0.05 -0.03 0.07 0.00 1.00 0.00 0.00 62.75 63.74 1jex n ILE 87 Cb 0.56 -0.10 0.43 0.00 -0.71 0.00 0.00 39.64 39.83 1jex n ILE 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55