#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 4.53 -0.75 1.45 2.47 -1.26 -4.98 119.74 121.20 1jex s LYS 5 Ca 0.00 1.12 -0.18 0.00 -1.56 0.00 0.00 55.97 55.35 1jex s LYS 5 Cb 0.00 -3.33 0.13 0.00 -1.46 0.00 0.00 37.83 33.18 1jex s LYS 5 CO 0.00 0.38 0.87 0.71 0.16 0.00 0.00 175.35 177.48 1jex s TYR 6 N -0.45 3.16 -0.18 4.03 2.02 -1.26 -4.32 117.35 120.36 1jex s TYR 6 Ca 0.38 -1.27 -0.06 0.00 -0.37 0.00 0.00 57.07 55.75 1jex s TYR 6 Cb -0.22 -4.08 -0.04 0.00 -0.40 0.00 0.00 41.96 37.22 1jex s TYR 6 CO 0.25 -1.33 0.04 1.52 -1.57 0.00 0.00 175.55 174.46 1jex s TYR 7 N 2.29 3.19 0.67 2.71 -0.85 -1.26 -4.29 117.35 119.81 1jex s TYR 7 Ca 0.20 -0.03 -0.11 0.00 -0.52 0.00 0.00 57.07 56.61 1jex s TYR 7 Cb -0.15 -2.05 -0.01 0.00 0.38 0.00 0.00 41.96 40.14 1jex s TYR 7 CO -0.01 0.10 1.05 0.95 -1.52 0.00 0.00 175.55 176.11 1jex s THR 8 N 0.38 4.25 0.28 -3.49 -4.23 -1.26 -1.29 115.64 110.28 1jex s THR 8 Ca 0.01 0.73 0.12 0.00 -1.18 0.00 0.00 61.69 61.38 1jex s THR 8 Cb -0.13 -3.55 0.29 0.00 1.34 0.00 0.00 72.50 70.45 1jex s THR 8 CO 0.01 -0.96 1.23 0.18 -0.54 0.00 0.00 174.62 174.54 1jex n LEU 9 N -3.01 0.18 -0.48 4.79 4.32 -1.26 0.23 117.00 121.77 1jex n LEU 9 Ca 0.07 1.30 0.40 0.00 -0.02 0.00 0.00 56.01 57.77 1jex n LEU 9 Cb 0.54 -0.59 0.62 0.00 -1.62 0.00 0.00 43.42 42.36 1jex n LEU 9 CO 0.56 -1.42 1.28 1.21 -1.22 0.00 0.00 177.39 177.80 1jex n GLU 10 N -4.85 0.01 -0.11 3.23 2.13 -1.26 0.20 120.64 119.98 1jex n GLU 10 Ca 0.27 0.97 -0.20 0.00 0.66 0.00 0.00 57.16 58.85 1jex n GLU 10 Cb 0.90 -2.31 -0.08 0.00 0.27 0.00 0.00 31.44 30.22 1jex n GLU 10 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1jex n GLU 11 N -3.49 0.55 -0.21 5.31 2.13 0.64 -2.99 120.64 122.58 1jex n GLU 11 Ca 0.33 0.39 0.16 0.00 0.66 0.00 0.00 57.16 58.71 1jex n GLU 11 Cb 1.68 -1.59 0.49 0.00 0.27 0.00 0.00 31.44 32.29 1jex n GLU 11 CO 0.00 0.00 0.00 0.82 -0.41 0.00 0.00 177.13 177.54 1jex h ILE 12 N -1.00 0.76 0.00 6.31 2.04 -0.17 0.63 117.51 126.08 1jex h ILE 12 Ca -0.38 -0.16 -0.08 0.00 1.00 0.00 0.00 64.86 65.25 1jex h ILE 12 Cb 1.26 0.26 -0.01 0.00 -0.74 0.00 0.00 36.82 37.58 1jex h ILE 12 CO -0.23 0.08 -0.51 0.06 0.00 0.00 0.00 178.15 177.56 1jex h GLN 13 N 0.46 0.00 0.00 2.37 3.07 0.21 -3.10 115.11 118.12 1jex h GLN 13 Ca 0.42 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.16 1jex h GLN 13 Cb 0.95 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.51 1jex h GLN 13 CO -0.16 0.30 0.00 1.63 0.09 0.00 0.00 178.83 180.70 1jex n LYS 14 N -3.11 0.23 -2.61 0.06 5.02 0.21 -3.28 118.16 114.68 1jex n LYS 14 Ca 0.01 0.31 -0.29 0.00 -2.02 0.00 0.00 58.31 56.32 1jex n LYS 14 Cb 0.68 -1.84 -0.01 0.00 -0.02 0.00 0.00 35.03 33.84 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 -2.25 3.56 -3.06 2.13 8.25 -0.33 -4.87 115.22 118.66 1jex n HIS 15 Ca 0.04 -3.32 -0.35 0.00 -0.26 0.00 0.00 57.72 53.82 1jex n HIS 15 Cb 0.33 -0.44 -0.02 0.00 1.12 0.00 0.00 29.99 30.98 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 -0.37 3.87 -3.74 -0.41 4.81 -1.13 -2.93 118.16 118.27 1jex n LYS 16 Ca 0.38 -4.66 -0.10 0.00 -0.87 0.00 0.00 58.31 53.06 1jex n LYS 16 Cb 0.48 -2.39 -0.06 0.00 0.02 0.00 0.00 35.03 33.08 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 -2.18 -0.10 0.26 3.14 1.11 0.39 -4.98 116.67 114.31 1jex s ASP 17 Ca 0.38 -0.35 -0.02 0.00 0.18 0.00 0.00 52.55 52.74 1jex s ASP 17 Cb 0.14 0.39 0.57 0.00 1.07 0.00 0.00 42.92 45.09 1jex s ASP 17 CO -0.00 -0.73 1.68 -1.28 1.18 0.00 0.00 175.17 176.02 1jex h SER 18 N 2.80 0.10 -0.85 0.27 0.87 -1.94 0.52 113.55 115.32 1jex h SER 18 Ca -0.33 0.15 0.01 0.00 -1.23 0.00 0.00 61.79 60.40 1jex h SER 18 Cb 1.22 0.19 -0.04 0.00 -0.44 0.00 0.00 62.40 63.32 1jex h SER 18 CO 0.49 -0.04 0.56 0.07 -0.53 0.00 0.00 176.83 177.39 1jex h LYS 19 N 0.31 1.11 -3.19 2.24 5.09 -1.96 -3.40 116.57 116.77 1jex h LYS 19 Ca 0.47 -0.07 -0.41 0.00 0.09 0.00 0.00 60.65 60.74 1jex h LYS 19 Cb 0.85 -0.25 -0.40 0.00 0.10 0.00 0.00 32.23 32.53 1jex h LYS 19 CO -0.53 0.73 -0.74 0.45 -2.09 0.00 0.00 179.45 177.27 1jex s SER 20 N -5.96 1.69 -0.16 7.07 0.15 0.18 -4.87 113.70 111.79 1jex s SER 20 Ca -0.13 -0.23 -0.07 0.00 0.70 0.00 0.00 55.95 56.21 1jex s SER 20 Cb 0.16 -0.18 0.06 0.00 -1.71 0.00 0.00 66.02 64.36 1jex s SER 20 CO 0.79 -0.30 0.37 -0.89 1.20 0.00 0.00 173.24 174.42 1jex s THR 21 N 2.16 -0.21 0.21 6.45 2.01 -0.94 0.15 115.64 125.47 1jex s THR 21 Ca 0.04 0.14 0.01 0.00 0.31 0.00 0.00 61.69 62.19 1jex s THR 21 Cb -0.14 -0.56 -0.00 0.00 0.01 0.00 0.00 72.50 71.80 1jex s THR 21 CO -0.06 0.06 0.03 0.79 -0.69 0.00 0.00 174.62 174.75 1jex n TRP 22 N 4.64 0.32 -3.23 4.92 8.01 -1.25 -2.87 117.44 127.98 1jex n TRP 22 Ca -0.18 -1.16 0.03 0.00 -1.31 0.00 0.00 57.50 54.88 1jex n TRP 22 Cb 0.53 -0.08 -0.02 0.00 -2.01 0.00 0.00 31.31 29.73 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 -2.02 -1.00 -0.61 -0.99 -7.23 -1.07 -3.87 120.40 103.62 1jex s VAL 23 Ca 0.04 0.00 -0.26 0.00 -1.81 0.00 0.00 61.98 59.95 1jex s VAL 23 Cb 0.00 -1.00 -0.02 0.00 0.56 0.00 0.00 36.38 35.92 1jex s VAL 23 CO 0.03 0.00 1.89 -0.51 -0.31 0.00 0.00 175.10 176.20 1jex s ILE 24 N 2.87 3.33 -0.15 -0.62 2.07 -1.24 -2.90 121.20 124.56 1jex s ILE 24 Ca 0.16 0.19 0.02 0.00 -1.41 0.00 0.00 60.65 59.61 1jex s ILE 24 Cb -0.14 -3.89 0.01 0.00 0.13 0.00 0.00 42.46 38.56 1jex s ILE 24 CO -0.21 -0.86 -0.20 -1.48 -1.91 0.00 0.00 174.94 170.28 1jex s LEU 25 N 9.26 2.22 -1.06 8.50 0.05 0.23 -3.66 118.68 134.22 1jex s LEU 25 Ca 0.69 -0.57 -0.05 0.00 0.05 0.00 0.00 54.13 54.25 1jex s LEU 25 Cb -0.13 -1.48 0.01 0.00 -2.05 0.00 0.00 46.19 42.54 1jex s LEU 25 CO 0.21 0.08 0.60 1.41 -0.55 0.00 0.00 176.35 178.10 1jex n HIS 26 N 4.11 -1.67 -1.10 3.48 8.25 -1.26 -1.22 115.22 125.81 1jex n HIS 26 Ca -0.20 0.52 -0.03 0.00 -0.26 0.00 0.00 57.72 57.74 1jex n HIS 26 Cb 0.51 -3.66 -0.01 0.00 1.12 0.00 0.00 29.99 27.95 1jex n HIS 26 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1jex n HIS 27 N -4.21 0.00 -4.12 4.41 8.25 -1.26 -4.95 115.22 113.34 1jex n HIS 27 Ca -0.05 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.13 1jex n HIS 27 Cb 0.57 -1.63 -0.17 0.00 1.12 0.00 0.00 29.99 29.88 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 -1.80 1.95 -0.05 -0.41 1.02 -0.36 -4.41 119.74 115.69 1jex s LYS 28 Ca 0.00 -0.44 -0.19 0.00 0.02 0.00 0.00 55.97 55.36 1jex s LYS 28 Cb 0.00 -1.81 -0.05 0.00 -0.52 0.00 0.00 37.83 35.45 1jex s LYS 28 CO 0.00 -0.19 0.54 0.54 -0.92 0.00 0.00 175.35 175.32 1jex s VAL 29 N 1.39 5.04 -0.07 3.17 0.11 -1.20 0.78 120.40 129.61 1jex s VAL 29 Ca 0.01 1.11 0.05 0.00 -2.93 0.00 0.00 61.98 60.22 1jex s VAL 29 Cb -0.13 -3.87 -0.01 0.00 -1.53 0.00 0.00 36.38 30.84 1jex s VAL 29 CO -0.07 0.39 -0.23 -0.31 -3.33 0.00 0.00 175.10 171.55 1jex s TYR 30 N 0.10 2.30 -0.85 1.54 1.51 -1.14 -3.12 117.35 117.68 1jex s TYR 30 Ca 0.29 -0.77 -0.18 0.00 -1.01 0.00 0.00 57.07 55.40 1jex s TYR 30 Cb -0.17 -1.53 0.13 0.00 -0.11 0.00 0.00 41.96 40.29 1jex s TYR 30 CO 0.14 -0.27 1.01 0.34 -1.11 0.00 0.00 175.55 175.67 1jex s ASP 31 N 0.05 6.55 -0.24 2.29 2.15 -0.84 -2.61 116.67 124.03 1jex s ASP 31 Ca -0.09 -1.96 0.14 0.00 0.43 0.00 0.00 52.55 51.07 1jex s ASP 31 Cb -0.15 -2.36 0.81 0.00 -0.30 0.00 0.00 42.92 40.92 1jex s ASP 31 CO 0.05 -1.04 1.74 0.00 -0.17 0.00 0.00 175.17 175.75 1jex n LEU 32 N 6.27 5.67 0.28 -1.34 -0.00 -1.21 -4.14 117.00 122.53 1jex n LEU 32 Ca 0.16 -2.96 0.17 0.00 -0.00 0.00 0.00 56.01 53.38 1jex n LEU 32 Cb 0.48 -0.68 0.80 0.00 -0.00 0.00 0.00 43.42 44.01 1jex n LEU 32 CO 0.50 0.64 1.01 0.00 -0.00 0.00 0.00 177.39 179.54 1jex h THR 33 N 3.82 0.22 0.00 1.47 1.03 -1.84 1.38 112.91 118.99 1jex h THR 33 Ca 0.01 -0.47 -0.06 0.00 -0.01 0.00 0.00 66.41 65.88 1jex h THR 33 Cb 1.97 1.38 -0.01 0.00 -1.07 0.00 0.00 68.15 70.42 1jex h THR 33 CO 0.49 0.06 -0.34 0.50 -0.01 0.00 0.00 175.52 176.21 1jex h LYS 34 N 0.00 0.00 -0.22 0.00 1.63 -1.90 -3.32 116.57 112.76 1jex h LYS 34 Ca -0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1jex h LYS 34 Cb 0.37 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.00 1jex h LYS 34 CO 0.01 0.91 0.00 0.34 -3.45 0.00 0.00 179.45 177.26 1jex n PHE 35 N -4.57 0.29 -0.27 1.91 -0.00 -1.11 -4.04 117.46 109.66 1jex n PHE 35 Ca -0.15 -0.14 0.09 0.00 -0.00 0.00 0.00 57.45 57.25 1jex n PHE 35 Cb 0.50 0.00 0.33 0.00 -0.00 0.00 0.00 39.48 40.31 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 1.77 0.74 0.00 -2.13 6.46 0.17 0.39 115.31 122.71 1jex h LEU 36 Ca 0.00 0.03 -0.04 0.00 -0.12 0.00 0.00 57.88 57.75 1jex h LEU 36 Cb 0.40 -0.12 -0.01 0.00 -0.73 0.00 0.00 40.66 40.20 1jex h LEU 36 CO 0.00 0.42 -0.30 -0.08 -0.62 0.00 0.00 178.44 177.86 1jex h GLU 37 N 0.81 0.00 -0.00 1.25 4.22 -1.82 -3.07 114.58 115.96 1jex h GLU 37 Ca 0.42 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.86 1jex h GLU 37 Cb 0.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.76 1jex h GLU 37 CO -0.19 0.17 -0.22 0.39 -2.18 0.00 0.00 179.01 176.99 1jex n GLU 38 N -3.10 0.33 -2.92 1.92 1.02 0.98 -4.83 120.64 114.05 1jex n GLU 38 Ca 0.03 -0.14 -0.40 0.00 -0.02 0.00 0.00 57.16 56.63 1jex n GLU 38 Cb 0.61 -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 -2.76 3.71 -0.55 -0.32 2.46 0.94 -4.93 115.29 113.84 1jex s HIS 39 Ca 0.19 1.52 0.25 0.00 0.47 0.00 0.00 55.06 57.50 1jex s HIS 39 Cb 0.19 -2.89 0.89 0.00 -0.13 0.00 0.00 32.58 30.64 1jex s HIS 39 CO 0.56 0.19 1.75 -1.00 -2.47 0.00 0.00 174.74 173.78 1jex h PRO 40 N 5.99 0.00 0.00 2.88 0.13 -1.88 -3.36 132.00 135.76 1jex h PRO 40 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1jex h PRO 40 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1jex h PRO 40 CO 0.72 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.90 1jex n GLY 41 N 0.66 -3.03 0.00 1.56 0.00 -1.26 -5.03 105.19 98.08 1jex n GLY 41 Ca 0.04 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.20 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 -0.56 1.15 0.00 -0.02 0.00 -1.26 -4.99 105.19 99.52 1jex n GLY 42 Ca 0.00 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.28 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 4.49 0.00 1.61 2.13 -1.26 -4.52 120.64 123.08 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 -0.56 0.00 0.00 0.27 0.00 0.00 31.44 31.15 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 -0.95 0.29 -0.07 5.31 0.00 -1.26 -4.39 120.64 119.57 1jex n GLU 44 Ca 0.00 -0.45 -0.04 0.00 0.00 0.00 0.00 57.16 56.67 1jex n GLU 44 Cb 0.00 -0.94 -0.16 0.00 0.00 0.00 0.00 31.44 30.34 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 0.96 0.09 3.84 3.14 -1.26 -2.64 118.33 122.33 1jex n VAL 45 Ca 0.00 -0.74 -0.14 0.00 -2.96 0.00 0.00 64.34 60.50 1jex n VAL 45 Cb 0.01 -0.32 -0.12 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 0.33 0.00 6.55 3.38 -1.81 -3.25 115.31 120.52 1jex h LEU 46 Ca -0.38 -0.35 0.00 0.00 0.09 0.00 0.00 57.88 57.25 1jex h LEU 46 Cb 1.86 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 42.50 1jex h LEU 46 CO 0.02 1.26 -1.00 -2.11 0.09 0.00 0.00 178.44 176.70 1jex n ARG 47 N -3.51 0.46 0.22 1.13 1.85 -1.26 -3.87 116.66 111.67 1jex n ARG 47 Ca -0.06 0.06 0.13 0.00 -1.00 0.00 0.00 57.85 56.97 1jex n ARG 47 Cb 0.98 -1.72 0.67 0.00 -1.05 0.00 0.00 32.46 31.35 1jex n ARG 47 CO 0.00 0.00 0.00 1.49 -0.01 0.00 0.00 177.63 179.11 1jex h GLU 48 N 0.00 0.00 -0.02 2.89 4.22 -1.53 0.35 114.58 120.49 1jex h GLU 48 Ca 0.00 0.00 -0.02 0.00 0.08 0.00 0.00 59.36 59.42 1jex h GLU 48 Cb 0.88 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.10 1jex h GLU 48 CO 0.00 0.00 -0.54 1.04 -2.18 0.00 0.00 179.01 177.33 1jex n GLN 49 N -2.44 1.54 -1.45 1.92 1.13 -1.25 -4.83 117.38 112.01 1jex n GLN 49 Ca -0.02 -3.25 -0.27 0.00 -1.94 0.00 0.00 57.00 51.52 1jex n GLN 49 Cb 0.17 -1.54 -0.07 0.00 0.11 0.00 0.00 30.24 28.90 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 -1.02 6.61 0.00 -1.58 0.00 0.12 -3.50 120.51 121.14 1jex n ALA 50 Ca 0.19 -3.00 0.00 0.00 0.00 0.00 0.00 53.44 50.63 1jex n ALA 50 Cb 0.72 -2.42 0.00 0.00 0.00 0.00 0.00 19.45 17.75 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 1.68 0.09 0.00 0.00 0.00 -1.26 -4.57 105.19 101.13 1jex n GLY 51 Ca 0.53 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.50 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 -0.65 3.29 3.37 -0.02 0.00 -1.23 -4.89 105.19 105.06 1jex n GLY 52 Ca 0.00 -1.48 -0.35 0.00 0.00 0.00 0.00 46.02 44.18 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 -0.01 4.62 0.22 1.61 1.47 -1.26 -3.69 116.67 119.63 1jex s ASP 53 Ca 0.00 -0.31 0.23 0.00 1.18 0.00 0.00 52.55 53.65 1jex s ASP 53 Cb 0.00 -1.81 0.18 0.00 -0.34 0.00 0.00 42.92 40.95 1jex s ASP 53 CO 0.00 -0.02 1.24 0.00 0.68 0.00 0.00 175.17 177.07 1jex h ALA 54 N 8.08 0.62 -0.50 2.11 0.00 -1.78 -3.35 119.26 124.44 1jex h ALA 54 Ca -0.40 0.00 0.10 0.00 0.00 0.00 0.00 54.91 54.61 1jex h ALA 54 Cb 1.17 0.00 -0.10 0.00 0.00 0.00 0.00 17.79 18.86 1jex h ALA 54 CO 0.60 0.00 -0.16 0.00 0.00 0.00 0.00 179.25 179.69 1jex h THR 55 N 0.00 0.45 -1.42 0.00 1.03 -1.92 2.49 112.91 113.53 1jex h THR 55 Ca 0.00 0.00 0.43 0.00 -0.01 0.00 0.00 66.41 66.83 1jex h THR 55 Cb 0.92 0.45 -0.09 0.00 -1.07 0.00 0.00 68.15 68.35 1jex h THR 55 CO 0.00 0.00 0.98 1.05 -0.01 0.00 0.00 175.52 177.54 1jex h GLU 56 N -0.04 0.08 0.00 0.00 4.11 -1.95 1.78 114.58 118.56 1jex h GLU 56 Ca 0.24 -0.00 -0.43 0.00 0.07 0.00 0.00 59.36 59.23 1jex h GLU 56 Cb 0.40 -0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.57 1jex h GLU 56 CO -0.53 0.05 -2.39 0.09 0.07 0.00 0.00 179.01 176.30 1jex n ASN 57 N -4.36 1.95 -0.35 3.06 4.13 0.13 -3.52 115.26 116.29 1jex n ASN 57 Ca 0.35 0.35 0.13 0.00 1.68 0.00 0.00 54.58 57.08 1jex n ASN 57 Cb 1.46 -0.83 0.32 0.00 -1.54 0.00 0.00 39.78 39.19 1jex n ASN 57 CO 0.00 0.00 0.00 0.15 0.28 0.00 0.00 177.26 177.69 1jex h PHE 58 N -1.00 1.07 0.00 3.10 3.04 0.52 0.49 116.94 124.17 1jex h PHE 58 Ca -0.65 0.03 -0.07 0.00 3.98 0.00 0.00 57.97 61.26 1jex h PHE 58 Cb 1.57 -0.32 -0.01 0.00 2.56 0.00 0.00 35.95 39.74 1jex h PHE 58 CO -0.09 0.25 -0.34 0.93 -2.02 0.00 0.00 178.31 177.05 1jex h GLU 59 N 0.78 0.00 0.52 1.11 5.08 0.25 -3.14 114.58 119.18 1jex h GLU 59 Ca 0.57 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.91 1jex h GLU 59 Cb 0.87 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.13 1jex h GLU 59 CO -0.37 0.34 -0.25 0.22 -1.00 0.00 0.00 179.01 177.95 1jex h ASP 60 N 0.00 -0.59 0.00 1.42 3.58 -0.11 -2.10 116.42 118.62 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 1.20 0.15 0.00 0.00 1.72 0.00 0.00 39.33 42.40 1jex h ASP 60 CO 0.04 -0.28 0.00 1.62 -2.88 0.00 0.00 179.24 177.75 1jex h VAL 61 N -0.91 0.00 -4.59 2.25 3.04 -1.31 -3.46 116.25 111.26 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 0.61 0.74 0.00 0.00 -2.01 0.00 0.00 31.29 30.63 1jex h VAL 61 CO 0.12 0.00 -0.33 0.61 -1.01 0.00 0.00 177.57 176.96 1jex n GLY 62 N -1.19 -1.12 3.75 3.17 0.00 -0.79 -4.97 105.19 104.04 1jex n GLY 62 Ca -0.02 0.82 -0.40 0.00 0.00 0.00 0.00 46.02 46.41 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 -2.17 3.67 0.97 1.61 3.76 -1.22 -5.00 115.29 116.92 1jex s HIS 63 Ca 0.16 1.72 -0.13 0.00 -0.15 0.00 0.00 55.06 56.67 1jex s HIS 63 Cb -0.05 -3.22 0.06 0.00 1.11 0.00 0.00 32.58 30.49 1jex s HIS 63 CO 0.53 -0.34 0.49 0.43 -0.85 0.00 0.00 174.74 175.01 1jex n SER 64 N 1.55 -1.75 0.00 1.40 7.64 -1.26 -4.86 113.62 116.34 1jex n SER 64 Ca -0.00 0.29 0.13 0.00 1.01 0.00 0.00 58.87 60.30 1jex n SER 64 Cb 0.46 -1.23 0.60 0.00 -1.01 0.00 0.00 64.21 63.03 1jex n SER 64 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1jex n THR 65 N -3.80 0.13 -0.04 0.44 -1.04 -1.26 -2.40 114.28 106.31 1jex n THR 65 Ca 0.07 0.03 0.12 0.00 -2.04 0.00 0.00 64.05 62.23 1jex n THR 65 Cb 0.54 -0.57 0.27 0.00 -1.82 0.00 0.00 70.33 68.76 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 -1.46 3.74 0.11 8.00 8.00 -1.26 -4.14 116.55 129.54 1jex n ASP 66 Ca 0.08 -2.00 -0.04 0.00 0.71 0.00 0.00 54.79 53.54 1jex n ASP 66 Cb 0.30 -0.37 0.08 0.00 -0.02 0.00 0.00 41.12 41.10 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 4.43 1.52 -0.07 2.53 3.04 -1.82 -2.97 116.25 122.91 1jex h VAL 67 Ca 0.00 -2.50 -0.02 0.00 -1.01 0.00 0.00 66.70 63.16 1jex h VAL 67 Cb 1.00 2.35 -0.01 0.00 -2.01 0.00 0.00 31.29 32.62 1jex h VAL 67 CO 0.00 0.72 -0.06 0.08 -1.01 0.00 0.00 177.57 177.30 1jex h ARG 68 N 0.02 0.10 0.00 4.17 0.11 -1.78 0.03 114.38 117.03 1jex h ARG 68 Ca -0.01 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 60.06 1jex h ARG 68 Cb 1.31 -0.02 0.00 0.00 1.11 0.00 0.00 29.97 32.37 1jex h ARG 68 CO 0.10 0.17 0.00 1.05 0.10 0.00 0.00 179.97 181.39 1jex h GLU 69 N 0.10 0.00 0.12 0.08 4.11 -1.80 0.10 114.58 117.30 1jex h GLU 69 Ca 0.02 0.00 -0.35 0.00 0.07 0.00 0.00 59.36 59.10 1jex h GLU 69 Cb 0.18 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 1jex h GLU 69 CO 0.01 0.00 -1.93 -0.07 0.07 0.00 0.00 179.01 177.09 1jex h LEU 70 N 0.00 0.40 -1.30 3.06 3.38 -1.13 -3.35 115.31 116.37 1jex h LEU 70 Ca 0.00 -0.93 -0.07 0.00 0.09 0.00 0.00 57.88 56.97 1jex h LEU 70 Cb 0.11 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 1jex h LEU 70 CO 0.00 1.83 -0.35 0.77 0.09 0.00 0.00 178.44 180.78 1jex h SER 71 N -0.01 0.00 -1.00 -0.43 4.64 -1.05 -2.88 113.55 112.82 1jex h SER 71 Ca -0.41 0.00 0.41 0.00 -0.47 0.00 0.00 61.79 61.32 1jex h SER 71 Cb 1.99 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 63.90 1jex h SER 71 CO 0.07 0.35 0.55 0.29 -0.87 0.00 0.00 176.83 177.22 1jex n LYS 72 N -4.05 -0.06 0.02 4.77 4.76 0.26 0.20 118.16 124.06 1jex n LYS 72 Ca -0.02 1.33 -0.15 0.00 -2.87 0.00 0.00 58.31 56.60 1jex n LYS 72 Cb 0.39 -2.41 -0.14 0.00 -1.84 0.00 0.00 35.03 31.04 1jex n LYS 72 CO 0.00 0.00 0.00 1.15 -1.37 0.00 0.00 177.40 177.18 1jex h THR 73 N 0.00 0.95 -2.19 -0.18 2.02 -1.74 -3.37 112.91 108.40 1jex h THR 73 Ca 0.83 -2.68 -0.80 0.00 0.77 0.00 0.00 66.41 64.53 1jex h THR 73 Cb 2.23 2.60 -0.27 0.00 -1.74 0.00 0.00 68.15 70.97 1jex h THR 73 CO -0.72 0.75 1.04 -1.22 0.37 0.00 0.00 175.52 175.74 1jex n TYR 74 N -3.34 2.82 -4.43 3.16 4.01 0.53 -4.96 117.16 114.95 1jex n TYR 74 Ca -0.20 -2.51 -0.22 0.00 -0.16 0.00 0.00 57.90 54.82 1jex n TYR 74 Cb 1.04 -1.20 -0.10 0.00 -0.31 0.00 0.00 39.34 38.77 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 -4.51 1.94 0.00 -0.72 -5.25 -0.05 -1.99 121.20 110.61 1jex s ILE 75 Ca 0.42 -2.23 0.00 0.00 -0.99 0.00 0.00 60.65 57.85 1jex s ILE 75 Cb 0.25 -2.31 0.00 0.00 2.95 0.00 0.00 42.46 43.35 1jex s ILE 75 CO -0.20 -0.41 0.00 2.30 -1.79 0.00 0.00 174.94 174.85 1jex n ILE 76 N -0.55 0.00 0.00 8.37 -5.35 -1.22 -4.50 119.36 116.10 1jex n ILE 76 Ca -0.06 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.42 1jex n ILE 76 Cb 0.62 -0.75 0.00 0.00 -1.74 0.00 0.00 39.64 37.77 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 2.79 -0.22 3.51 3.28 0.00 -1.18 -4.74 105.19 108.62 1jex n GLY 77 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 0.99 1.61 -1.05 -1.26 -3.27 118.70 116.14 1jex s GLU 78 Ca 0.00 1.06 -0.16 0.00 -0.15 0.00 0.00 54.97 55.72 1jex s GLU 78 Cb 0.00 0.64 -0.02 0.00 -0.44 0.00 0.00 34.13 34.30 1jex s GLU 78 CO 0.00 -0.15 -0.15 1.47 0.95 0.00 0.00 175.26 177.38 1jex n LEU 79 N 5.20 -2.39 -4.36 1.83 -0.00 -1.26 -4.18 117.00 111.84 1jex n LEU 79 Ca -0.10 0.19 -0.45 0.00 -0.00 0.00 0.00 56.01 55.65 1jex n LEU 79 Cb 0.51 -0.99 -0.02 0.00 -0.00 0.00 0.00 43.42 42.93 1jex n LEU 79 CO -0.04 -4.13 -0.19 1.57 -0.00 0.00 0.00 177.39 174.60 1jex n HIS 80 N -3.42 -1.19 0.13 1.47 -0.00 -0.41 -4.64 115.22 107.16 1jex n HIS 80 Ca 0.03 0.79 -0.00 0.00 -0.00 0.00 0.00 57.72 58.53 1jex n HIS 80 Cb 0.57 -1.88 0.13 0.00 -0.00 0.00 0.00 29.99 28.81 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 0.70 0.00 -0.19 1.57 0.13 -1.93 -0.96 132.00 131.32 1jex h PRO 81 Ca -0.33 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.66 1jex h PRO 81 Cb 1.44 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.57 1jex h PRO 81 CO 0.52 0.62 -0.42 0.22 -0.23 0.00 0.00 178.00 178.71 1jex h ASP 82 N 0.00 0.70 0.51 1.44 1.82 -2.00 -2.83 116.42 116.06 1jex h ASP 82 Ca -0.01 -0.56 -0.13 0.00 -0.39 0.00 0.00 57.03 55.94 1jex h ASP 82 Cb 1.23 -0.20 -0.02 0.00 0.68 0.00 0.00 39.33 41.02 1jex h ASP 82 CO 0.08 1.13 -0.59 0.44 -1.61 0.00 0.00 179.24 178.69 1jex h ASP 83 N 0.30 0.10 -0.40 2.28 5.19 -1.91 -2.81 116.42 119.16 1jex h ASP 83 Ca 0.00 -0.06 0.00 0.00 -0.62 0.00 0.00 57.03 56.36 1jex h ASP 83 Cb 1.03 -0.03 -0.02 0.00 0.18 0.00 0.00 39.33 40.49 1jex h ASP 83 CO 0.09 0.67 0.26 -0.09 -3.12 0.00 0.00 179.24 177.05 1jex h ARG 84 N 0.06 0.54 -0.00 3.56 1.12 -1.06 0.20 114.38 118.81 1jex h ARG 84 Ca -0.01 -0.04 0.00 0.00 -1.11 0.00 0.00 59.98 58.83 1jex h ARG 84 Cb 1.07 -0.12 0.00 0.00 -0.01 0.00 0.00 29.97 30.91 1jex h ARG 84 CO 0.08 0.37 -0.14 0.45 -3.11 0.00 0.00 179.97 177.62 1jex n SER 85 N -4.47 0.19 0.06 -3.80 2.88 -1.07 -3.08 113.62 104.33 1jex n SER 85 Ca 0.03 0.11 0.03 0.00 -1.33 0.00 0.00 58.87 57.72 1jex n SER 85 Cb 0.07 -0.23 -0.05 0.00 -0.75 0.00 0.00 64.21 63.24 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 0.08 0.00 0.00 -1.46 1.79 -0.50 -3.27 116.57 113.21 1jex h LYS 86 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1jex h LYS 86 Cb 0.46 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.11 1jex h LYS 86 CO 0.00 0.22 0.00 -0.89 -1.08 0.00 0.00 179.45 177.70 1jex n ILE 87 N -2.86 1.21 0.00 1.86 5.41 -0.58 -5.10 119.36 119.30 1jex n ILE 87 Ca -0.06 0.59 0.00 0.00 1.00 0.00 0.00 62.75 64.28 1jex n ILE 87 Cb 0.75 -1.57 0.00 0.00 -0.71 0.00 0.00 39.64 38.12 1jex n ILE 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55