#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jfz n MET 1 N 0.00 0.00 -0.72 1.61 3.85 -1.26 -1.39 117.12 119.22 1jfz n MET 1 Ca 0.00 0.00 -0.13 0.00 -1.00 0.00 0.00 57.70 56.57 1jfz n MET 1 Cb 0.00 0.00 0.06 0.00 -1.05 0.00 0.00 33.22 32.23 1jfz n MET 1 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60 1jfz n LYS 2 N -0.97 1.67 0.09 3.17 5.02 -1.26 -4.34 118.16 121.54 1jfz n LYS 2 Ca 0.00 -1.44 0.00 0.00 -2.02 0.00 0.00 58.31 54.85 1jfz n LYS 2 Cb 0.00 -1.57 0.00 0.00 -0.02 0.00 0.00 35.03 33.44 1jfz n LYS 2 CO 0.00 0.00 0.00 -0.12 -0.52 0.00 0.00 177.40 176.76 1jfz n MET 3 N 0.05 0.00 -0.34 1.97 1.56 -1.25 -4.97 117.12 114.15 1jfz n MET 3 Ca 0.28 0.00 0.08 0.00 -0.27 0.00 0.00 57.70 57.80 1jfz n MET 3 Cb 0.82 0.00 0.27 0.00 2.15 0.00 0.00 33.22 36.46 1jfz n MET 3 CO 0.00 0.00 0.00 -0.07 -0.73 0.00 0.00 175.97 175.17 1jfz h LEU 4 N 0.00 0.87 -1.74 -0.89 3.38 -1.47 -2.00 115.31 113.44 1jfz h LEU 4 Ca 0.00 0.05 0.17 0.00 0.09 0.00 0.00 57.88 58.18 1jfz h LEU 4 Cb 0.00 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.58 1jfz h LEU 4 CO 0.00 0.45 0.49 -0.33 0.09 0.00 0.00 178.44 179.14 1jfz h GLU 5 N 0.92 0.24 0.08 1.13 5.08 -1.43 -1.22 114.58 119.38 1jfz h GLU 5 Ca 0.49 -0.01 -0.27 0.00 -1.00 0.00 0.00 59.36 58.57 1jfz h GLU 5 Cb 0.55 -0.05 0.01 0.00 0.50 0.00 0.00 28.75 29.76 1jfz h GLU 5 CO -0.26 0.16 -1.14 1.96 -1.00 0.00 0.00 179.01 178.73 1jfz h GLN 6 N 0.25 0.47 -0.53 2.33 1.08 -1.67 -2.25 115.11 114.79 1jfz h GLN 6 Ca 0.35 -0.62 -0.10 0.00 -1.45 0.00 0.00 58.65 56.83 1jfz h GLN 6 Cb 1.01 0.20 -0.02 0.00 -0.05 0.00 0.00 27.48 28.62 1jfz h GLN 6 CO -0.08 1.25 -0.08 1.25 -0.95 0.00 0.00 178.83 180.23 1jfz h LEU 7 N 0.22 0.94 -1.43 1.46 5.85 -1.23 -2.56 115.31 118.57 1jfz h LEU 7 Ca -0.14 -0.29 -0.02 0.00 0.84 0.00 0.00 57.88 58.28 1jfz h LEU 7 Cb 1.81 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 42.57 1jfz h LEU 7 CO 0.21 1.04 0.19 -0.33 -0.34 0.00 0.00 178.44 179.21 1jfz h GLU 8 N 0.86 0.57 0.01 1.25 5.08 -1.33 0.52 114.58 121.54 1jfz h GLU 8 Ca 0.14 -0.07 -0.19 0.00 -1.00 0.00 0.00 59.36 58.25 1jfz h GLU 8 Cb 0.61 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.73 1jfz h GLU 8 CO 0.04 0.46 -0.87 -0.22 -1.00 0.00 0.00 179.01 177.42 1jfz h LYS 9 N 0.58 0.12 -0.12 2.33 1.63 -1.17 0.46 116.57 120.39 1jfz h LYS 9 Ca 0.14 -0.13 -0.08 0.00 -0.85 0.00 0.00 60.65 59.74 1jfz h LYS 9 Cb 0.08 0.04 0.00 0.00 -0.60 0.00 0.00 32.23 31.75 1jfz h LYS 9 CO -0.02 0.91 -0.22 0.87 -3.45 0.00 0.00 179.45 177.54 1jfz h LYS 10 N 0.06 0.36 -0.63 1.90 1.79 -1.06 -3.04 116.57 115.95 1jfz h LYS 10 Ca -0.03 -0.23 0.12 0.00 -2.18 0.00 0.00 60.65 58.33 1jfz h LYS 10 Cb 1.50 0.03 -0.09 0.00 -1.58 0.00 0.00 32.23 32.09 1jfz h LYS 10 CO 0.12 0.82 0.13 1.25 -1.08 0.00 0.00 179.45 180.70 1jfz h LEU 11 N -0.05 -0.01 0.00 2.94 5.85 0.11 -3.46 115.31 120.69 1jfz h LEU 11 Ca 0.01 0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.85 1jfz h LEU 11 Cb 0.80 0.17 0.00 0.00 0.37 0.00 0.00 40.66 42.00 1jfz h LEU 11 CO 0.05 -0.00 0.00 0.61 -0.34 0.00 0.00 178.44 178.76 1jfz n GLY 12 N -1.33 0.95 3.46 3.75 0.00 0.15 -4.97 105.19 107.20 1jfz n GLY 12 Ca 0.10 -0.35 -0.10 0.00 0.00 0.00 0.00 46.02 45.67 1jfz n GLY 12 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1jfz s TYR 13 N -2.00 -0.79 -0.19 1.61 5.04 -0.29 -5.03 117.35 115.71 1jfz s TYR 13 Ca 0.00 1.67 -0.07 0.00 -2.44 0.00 0.00 57.07 56.23 1jfz s TYR 13 Cb 0.00 0.39 -0.04 0.00 0.35 0.00 0.00 41.96 42.67 1jfz s TYR 13 CO 0.00 -0.40 0.06 0.99 -1.34 0.00 0.00 175.55 174.86 1jfz s THR 14 N 1.21 4.70 0.42 4.34 2.01 -1.26 -4.41 115.64 122.65 1jfz s THR 14 Ca -0.07 -0.06 -0.16 0.00 0.31 0.00 0.00 61.69 61.71 1jfz s THR 14 Cb -0.06 -3.12 -0.08 0.00 0.01 0.00 0.00 72.50 69.24 1jfz s THR 14 CO -0.12 0.45 0.86 -0.36 -0.69 0.00 0.00 174.62 174.76 1jfz s PHE 15 N 0.50 3.40 -0.03 4.92 0.40 -1.26 -4.99 117.98 120.92 1jfz s PHE 15 Ca 0.03 1.33 -0.14 0.00 -0.60 0.00 0.00 56.93 57.55 1jfz s PHE 15 Cb -0.13 -2.65 -0.32 0.00 0.51 0.00 0.00 43.02 40.43 1jfz s PHE 15 CO 0.01 -0.13 0.76 0.87 0.70 0.00 0.00 175.22 177.43 1jfz h LYS 16 N 1.56 0.41 -4.46 0.44 1.57 -2.00 -3.43 116.57 110.67 1jfz h LYS 16 Ca -0.48 -0.71 -0.70 0.00 -1.87 0.00 0.00 60.65 56.89 1jfz h LYS 16 Cb 1.18 0.26 -0.32 0.00 0.08 0.00 0.00 32.23 33.43 1jfz h LYS 16 CO 0.63 1.34 -0.52 0.34 -0.57 0.00 0.00 179.45 180.67 1jfz s ASP 17 N -7.33 5.38 0.15 0.86 -1.08 -1.26 -4.98 116.67 108.40 1jfz s ASP 17 Ca -0.14 -1.89 -0.15 0.00 -0.52 0.00 0.00 52.55 49.85 1jfz s ASP 17 Cb 0.05 -1.88 0.02 0.00 -1.46 0.00 0.00 42.92 39.65 1jfz s ASP 17 CO 0.87 -0.56 1.74 0.11 0.52 0.00 0.00 175.17 177.85 1jfz h LYS 18 N 8.18 0.65 0.00 4.34 6.56 -2.02 -1.71 116.57 132.57 1jfz h LYS 18 Ca -0.17 -0.09 0.00 0.00 -1.06 0.00 0.00 60.65 59.34 1jfz h LYS 18 Cb 1.06 -0.12 0.00 0.00 -0.57 0.00 0.00 32.23 32.60 1jfz h LYS 18 CO 0.73 0.54 0.00 0.66 -2.06 0.00 0.00 179.45 179.32 1jfz h SER 19 N 0.59 0.00 -0.08 0.86 4.64 -1.99 -1.58 113.55 115.99 1jfz h SER 19 Ca 0.16 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.45 1jfz h SER 19 Cb 0.10 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.18 1jfz h SER 19 CO -0.02 0.00 -0.04 0.25 -0.87 0.00 0.00 176.83 176.15 1jfz h LEU 20 N 0.00 0.18 -0.18 5.97 5.85 -1.74 -1.89 115.31 123.50 1jfz h LEU 20 Ca 0.00 -0.41 0.01 0.00 0.84 0.00 0.00 57.88 58.32 1jfz h LEU 20 Cb 0.01 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 40.98 1jfz h LEU 20 CO 0.00 0.55 0.09 0.25 -0.34 0.00 0.00 178.44 178.99 1jfz h LEU 21 N -0.20 0.14 -0.83 2.25 5.85 -1.36 -2.99 115.31 118.17 1jfz h LEU 21 Ca 0.02 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.75 1jfz h LEU 21 Cb 0.48 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.45 1jfz h LEU 21 CO 0.01 0.11 0.54 -0.33 -0.34 0.00 0.00 178.44 178.43 1jfz h GLU 22 N 0.20 1.11 -0.88 1.25 5.08 -1.32 -2.05 114.58 117.97 1jfz h GLU 22 Ca 0.07 -0.08 0.06 0.00 -1.00 0.00 0.00 59.36 58.41 1jfz h GLU 22 Cb 0.01 -0.24 -0.06 0.00 0.50 0.00 0.00 28.75 28.96 1jfz h GLU 22 CO -0.04 0.74 0.57 -0.22 -1.00 0.00 0.00 179.01 179.06 1jfz h LYS 23 N 1.13 0.98 0.00 2.33 3.64 -1.25 -1.26 116.57 122.14 1jfz h LYS 23 Ca 0.30 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.59 1jfz h LYS 23 Cb -0.11 -0.22 -0.00 0.00 -0.41 0.00 0.00 32.23 31.49 1jfz h LYS 23 CO -0.06 0.65 -0.15 0.00 -2.27 0.00 0.00 179.45 177.61 1jfz h ALA 24 N 1.52 1.05 -0.00 5.00 0.00 -1.23 -2.57 119.26 123.03 1jfz h ALA 24 Ca 0.37 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1jfz h ALA 24 Cb 0.18 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1jfz h ALA 24 CO -0.13 0.19 -0.64 1.28 0.00 0.00 0.00 179.25 179.94 1jfz n LEU 25 N -3.35 0.87 -4.61 0.00 4.77 -0.53 -4.55 117.00 109.60 1jfz n LEU 25 Ca -0.00 -0.27 -0.39 0.00 -0.03 0.00 0.00 56.01 55.32 1jfz n LEU 25 Cb 0.36 -0.13 -0.09 0.00 -2.33 0.00 0.00 43.42 41.24 1jfz n LEU 25 CO 0.31 0.20 0.02 -0.89 -1.33 0.00 0.00 177.39 175.70 1jfz s THR 26 N -2.89 5.20 0.45 -5.08 2.01 -0.88 0.66 115.64 115.11 1jfz s THR 26 Ca 0.12 0.51 -0.21 0.00 0.31 0.00 0.00 61.69 62.42 1jfz s THR 26 Cb 0.17 -3.67 -0.09 0.00 0.01 0.00 0.00 72.50 68.92 1jfz s THR 26 CO 0.73 0.19 1.01 -2.28 -0.69 0.00 0.00 174.62 173.57 1jfz s HIS 27 N 1.92 3.16 0.55 4.92 2.46 0.04 -1.48 115.29 126.86 1jfz s HIS 27 Ca 0.14 1.61 0.24 0.00 0.47 0.00 0.00 55.06 57.51 1jfz s HIS 27 Cb -0.16 -3.01 1.45 0.00 -0.13 0.00 0.00 32.58 30.74 1jfz s HIS 27 CO 0.10 -0.54 2.08 -0.24 -2.47 0.00 0.00 174.74 173.67 1jfz h VAL 28 N 1.81 0.73 -0.02 0.89 3.04 -1.88 0.23 116.25 121.04 1jfz h VAL 28 Ca -0.49 0.00 0.01 0.00 -1.01 0.00 0.00 66.70 65.21 1jfz h VAL 28 Cb 1.21 0.86 -0.00 0.00 -2.01 0.00 0.00 31.29 31.34 1jfz h VAL 28 CO 0.60 0.00 0.04 0.77 -1.01 0.00 0.00 177.57 177.97 1jfz h SER 29 N 0.00 0.00 0.08 3.17 4.64 -1.92 -2.82 113.55 116.70 1jfz h SER 29 Ca 0.12 0.00 -0.37 0.00 -0.47 0.00 0.00 61.79 61.06 1jfz h SER 29 Cb 0.51 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.57 1jfz h SER 29 CO -0.00 0.00 -2.15 0.00 -0.87 0.00 0.00 176.83 173.81 1jfz n TYR 30 N -3.56 0.84 -3.53 4.77 4.19 0.79 -4.52 117.16 116.15 1jfz n TYR 30 Ca -0.02 0.18 -0.18 0.00 3.31 0.00 0.00 57.90 61.18 1jfz n TYR 30 Cb 0.12 -1.11 -0.14 0.00 0.49 0.00 0.00 39.34 38.70 1jfz n TYR 30 CO 0.00 0.00 0.00 0.45 0.91 0.00 0.00 176.86 178.22 1jfz s SER 31 N -6.87 1.32 0.00 2.98 0.15 -1.06 -4.99 113.70 105.22 1jfz s SER 31 Ca -0.27 -0.14 0.21 0.00 0.70 0.00 0.00 55.95 56.45 1jfz s SER 31 Cb 0.07 0.34 0.91 0.00 -1.71 0.00 0.00 66.02 65.63 1jfz s SER 31 CO 0.71 -0.31 1.67 0.29 1.20 0.00 0.00 173.24 176.79 1jfz n LYS 32 N 5.32 0.03 -0.08 5.44 5.02 -1.13 -3.47 118.16 129.29 1jfz n LYS 32 Ca -0.06 0.14 -0.12 0.00 -2.02 0.00 0.00 58.31 56.25 1jfz n LYS 32 Cb 0.50 -1.50 -0.15 0.00 -0.02 0.00 0.00 35.03 33.86 1jfz n LYS 32 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1jfz n LYS 33 N -1.48 0.68 -3.35 1.97 5.02 -1.26 -4.80 118.16 114.94 1jfz n LYS 33 Ca 0.06 0.11 -0.25 0.00 -2.02 0.00 0.00 58.31 56.20 1jfz n LYS 33 Cb 0.23 -1.60 -0.09 0.00 -0.02 0.00 0.00 35.03 33.56 1jfz n LYS 33 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1jfz s GLU 34 N -2.53 0.91 0.41 1.97 0.41 -1.23 -5.12 118.70 113.52 1jfz s GLU 34 Ca -0.15 -2.04 0.04 0.00 -0.41 0.00 0.00 54.97 52.41 1jfz s GLU 34 Cb 0.07 -1.32 -0.02 0.00 -1.78 0.00 0.00 34.13 31.08 1jfz s GLU 34 CO 0.78 -1.38 0.13 -3.38 -0.49 0.00 0.00 175.26 170.92 1jfz s HIS 35 N 0.12 1.78 -0.94 1.61 -3.43 -1.25 -4.72 115.29 108.46 1jfz s HIS 35 Ca 0.33 -1.30 0.28 0.00 -0.80 0.00 0.00 55.06 53.57 1jfz s HIS 35 Cb 0.04 -1.14 1.12 0.00 -1.43 0.00 0.00 32.58 31.17 1jfz s HIS 35 CO -0.19 -0.32 1.88 2.48 -2.00 0.00 0.00 174.74 176.59 1jfz n TYR 36 N -0.90 0.19 -0.33 0.38 0.18 -0.55 -4.30 117.16 111.83 1jfz n TYR 36 Ca -0.05 0.05 0.19 0.00 1.88 0.00 0.00 57.90 59.97 1jfz n TYR 36 Cb 0.65 -0.58 0.41 0.00 -0.38 0.00 0.00 39.34 39.44 1jfz n TYR 36 CO 0.00 0.00 0.00 1.49 -2.08 0.00 0.00 176.86 176.27 1jfz h GLU 37 N 0.00 0.39 0.16 -3.48 4.81 -1.88 0.14 114.58 114.73 1jfz h GLU 37 Ca 0.00 -0.02 -0.30 0.00 -0.13 0.00 0.00 59.36 58.90 1jfz h GLU 37 Cb 0.55 -0.09 0.03 0.00 0.63 0.00 0.00 28.75 29.87 1jfz h GLU 37 CO 0.00 0.26 -1.30 1.15 -0.73 0.00 0.00 179.01 178.39 1jfz h THR 38 N 0.41 1.33 -0.64 0.32 2.02 -1.99 -2.71 112.91 111.66 1jfz h THR 38 Ca 0.67 -2.63 -0.01 0.00 0.77 0.00 0.00 66.41 65.20 1jfz h THR 38 Cb 1.40 2.82 -0.03 0.00 -1.74 0.00 0.00 68.15 70.60 1jfz h THR 38 CO -0.56 0.79 0.34 -0.07 0.37 0.00 0.00 175.52 176.39 1jfz h LEU 39 N 0.20 0.80 -0.73 2.58 3.38 -1.45 -1.91 115.31 118.19 1jfz h LEU 39 Ca -0.19 -0.10 0.13 0.00 0.09 0.00 0.00 57.88 57.80 1jfz h LEU 39 Cb 1.98 -0.20 -0.09 0.00 0.09 0.00 0.00 40.66 42.44 1jfz h LEU 39 CO 0.24 0.68 0.31 -0.08 0.09 0.00 0.00 178.44 179.67 1jfz h GLU 40 N 0.87 0.46 -0.57 1.13 4.81 -0.81 0.42 114.58 120.88 1jfz h GLU 40 Ca 0.22 -0.03 0.07 0.00 -0.13 0.00 0.00 59.36 59.49 1jfz h GLU 40 Cb 0.06 -0.10 -0.06 0.00 0.63 0.00 0.00 28.75 29.28 1jfz h GLU 40 CO -0.03 0.30 0.26 0.35 -0.73 0.00 0.00 179.01 179.16 1jfz h PHE 41 N 0.47 0.47 0.11 0.92 3.57 -1.01 0.34 116.94 121.81 1jfz h PHE 41 Ca 0.39 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.91 1jfz h PHE 41 Cb 0.55 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 39.17 1jfz h PHE 41 CO -0.15 0.19 -0.06 1.25 -2.23 0.00 0.00 178.31 177.31 1jfz h LEU 42 N 0.48 -0.13 -2.21 0.59 6.46 -0.71 -3.22 115.31 116.58 1jfz h LEU 42 Ca 0.27 -0.32 -0.00 0.00 -0.12 0.00 0.00 57.88 57.71 1jfz h LEU 42 Cb 0.24 0.03 -0.00 0.00 -0.73 0.00 0.00 40.66 40.21 1jfz h LEU 42 CO -0.22 0.27 -0.02 1.23 -0.62 0.00 0.00 178.44 179.08 1jfz h GLY 43 N -0.55 0.00 0.80 3.75 0.00 0.10 -0.57 103.07 106.60 1jfz h GLY 43 Ca -0.02 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.33 1jfz h GLY 43 CO 0.03 0.00 -0.05 -1.80 0.00 0.00 0.00 176.54 174.71 1jfz h ASP 44 N 0.00 -0.17 -0.27 0.19 1.82 -0.94 0.10 116.42 117.15 1jfz h ASP 44 Ca -0.00 0.03 -0.10 0.00 -0.39 0.00 0.00 57.03 56.57 1jfz h ASP 44 Cb 0.03 0.08 -0.00 0.00 0.68 0.00 0.00 39.33 40.12 1jfz h ASP 44 CO 0.00 -0.08 -0.23 0.00 -1.61 0.00 0.00 179.24 177.32 1jfz h ALA 45 N 0.96 0.39 0.31 -0.78 0.00 -1.20 -2.24 119.26 116.71 1jfz h ALA 45 Ca 0.04 -0.37 -0.00 0.00 0.00 0.00 0.00 54.91 54.57 1jfz h ALA 45 Cb 0.13 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1jfz h ALA 45 CO -0.09 0.35 -0.51 1.25 0.00 0.00 0.00 179.25 180.26 1jfz h LEU 46 N 0.36 -1.45 -0.65 0.00 6.46 -1.25 -1.50 115.31 117.27 1jfz h LEU 46 Ca 0.05 0.13 -0.04 0.00 -0.12 0.00 0.00 57.88 57.90 1jfz h LEU 46 Cb 0.78 0.51 -0.03 0.00 -0.73 0.00 0.00 40.66 41.19 1jfz h LEU 46 CO 0.06 -0.60 0.25 0.58 -0.62 0.00 0.00 178.44 178.11 1jfz h VAL 47 N -0.87 1.24 -0.44 1.05 2.07 -0.89 -1.11 116.25 117.31 1jfz h VAL 47 Ca -0.04 -0.77 0.10 0.00 0.82 0.00 0.00 66.70 66.82 1jfz h VAL 47 Cb 0.80 0.52 -0.02 0.00 -1.52 0.00 0.00 31.29 31.07 1jfz h VAL 47 CO -0.17 0.30 0.30 -1.13 0.02 0.00 0.00 177.57 176.90 1jfz h ASN 48 N 0.92 0.14 -0.07 0.57 -1.24 -1.26 -1.49 115.58 113.16 1jfz h ASN 48 Ca 0.22 0.00 -0.16 0.00 0.71 0.00 0.00 56.30 57.07 1jfz h ASN 48 Cb 0.22 -0.03 0.01 0.00 0.73 0.00 0.00 38.32 39.26 1jfz h ASN 48 CO -0.02 0.09 -0.58 0.15 -1.29 0.00 0.00 177.43 175.78 1jfz h PHE 49 N 0.16 0.71 -0.91 0.67 3.57 -0.16 -2.51 116.94 118.47 1jfz h PHE 49 Ca 0.20 -0.34 0.04 0.00 3.53 0.00 0.00 57.97 61.40 1jfz h PHE 49 Cb 0.60 -0.10 -0.05 0.00 2.79 0.00 0.00 35.95 39.19 1jfz h PHE 49 CO -0.00 1.13 0.60 0.74 -2.23 0.00 0.00 178.31 178.55 1jfz h PHE 50 N 0.09 1.10 0.13 0.41 0.04 -0.43 -2.23 116.94 116.05 1jfz h PHE 50 Ca -0.05 0.03 -0.29 0.00 2.80 0.00 0.00 57.97 60.46 1jfz h PHE 50 Cb 1.24 -0.37 0.00 0.00 2.20 0.00 0.00 35.95 39.03 1jfz h PHE 50 CO 0.12 0.63 -1.35 0.82 -0.60 0.00 0.00 178.31 177.93 1jfz h ILE 51 N 1.13 1.37 -0.16 -0.55 2.04 -1.35 -2.74 117.51 117.26 1jfz h ILE 51 Ca 0.37 -2.96 -0.14 0.00 1.00 0.00 0.00 64.86 63.13 1jfz h ILE 51 Cb 0.04 2.89 -0.01 0.00 -0.74 0.00 0.00 36.82 39.00 1jfz h ILE 51 CO -0.11 0.86 -0.50 0.58 0.00 0.00 0.00 178.15 178.97 1jfz h VAL 52 N 0.08 1.33 0.15 1.67 2.07 -1.28 0.66 116.25 120.93 1jfz h VAL 52 Ca -0.18 -1.74 0.02 0.00 0.82 0.00 0.00 66.70 65.62 1jfz h VAL 52 Cb 2.00 1.76 -0.04 0.00 -1.52 0.00 0.00 31.29 33.49 1jfz h VAL 52 CO 0.19 0.53 -0.32 -0.78 0.02 0.00 0.00 177.57 177.22 1jfz h ASP 53 N 0.34 -0.91 -0.73 0.57 1.82 -1.45 1.50 116.42 117.55 1jfz h ASP 53 Ca 0.01 0.10 0.04 0.00 -0.39 0.00 0.00 57.03 56.79 1jfz h ASP 53 Cb 1.01 0.34 -0.05 0.00 0.68 0.00 0.00 39.33 41.31 1jfz h ASP 53 CO 0.09 -0.41 0.46 -0.07 -1.61 0.00 0.00 179.24 177.69 1jfz h LEU 54 N -0.56 0.74 0.20 2.28 3.38 -1.35 0.61 115.31 120.61 1jfz h LEU 54 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1jfz h LEU 54 Cb 0.58 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 1jfz h LEU 54 CO -0.17 0.50 -0.20 0.25 0.09 0.00 0.00 178.44 178.91 1jfz h LEU 55 N 0.88 -0.55 0.43 1.67 5.85 0.25 0.22 115.31 124.06 1jfz h LEU 55 Ca 0.30 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 59.06 1jfz h LEU 55 Cb 0.05 0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.25 1jfz h LEU 55 CO -0.13 -0.30 -0.40 0.58 -0.34 0.00 0.00 178.44 177.85 1jfz h VAL 56 N -0.44 0.19 -0.93 1.05 2.07 0.24 -2.84 116.25 115.59 1jfz h VAL 56 Ca 0.00 0.00 0.20 0.00 0.82 0.00 0.00 66.70 67.72 1jfz h VAL 56 Cb 0.41 0.19 -0.11 0.00 -1.52 0.00 0.00 31.29 30.26 1jfz h VAL 56 CO -0.05 0.00 0.48 1.56 0.02 0.00 0.00 177.57 179.58 1jfz h GLN 57 N -0.84 0.53 0.00 1.57 4.20 -0.73 -3.43 115.11 116.41 1jfz h GLN 57 Ca -0.04 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.64 1jfz h GLN 57 Cb 0.74 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 28.40 1jfz h GLN 57 CO -0.05 0.35 0.00 0.66 -0.67 0.00 0.00 178.83 179.13 1jfz n TYR 58 N -4.93 0.00 -1.92 2.96 4.01 0.76 -5.01 117.16 113.04 1jfz n TYR 58 Ca 0.22 0.00 -0.02 0.00 -0.16 0.00 0.00 57.90 57.94 1jfz n TYR 58 Cb 0.61 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.62 1jfz n TYR 58 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1jfz n SER 59 N 0.00 -1.43 0.00 7.72 2.88 -1.25 -4.77 113.62 116.77 1jfz n SER 59 Ca 0.00 0.52 0.05 0.00 -1.33 0.00 0.00 58.87 58.11 1jfz n SER 59 Cb 0.00 -2.64 0.28 0.00 -0.75 0.00 0.00 64.21 61.10 1jfz n SER 59 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 1jfz n PRO 60 N 0.64 0.69 -4.97 -1.46 -0.02 -1.26 -4.55 135.00 124.07 1jfz n PRO 60 Ca -0.16 0.00 -0.28 0.00 -2.02 0.00 0.00 63.50 61.04 1jfz n PRO 60 Cb 0.25 -1.21 -0.16 0.00 -0.02 0.00 0.00 33.50 32.35 1jfz n PRO 60 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 1jfz s ASN 61 N -1.61 2.42 0.00 2.55 3.84 -1.26 -5.05 114.94 115.83 1jfz s ASN 61 Ca 0.14 -0.39 0.01 0.00 0.21 0.00 0.00 52.86 52.83 1jfz s ASN 61 Cb 0.07 -0.59 0.03 0.00 -0.55 0.00 0.00 41.25 40.20 1jfz s ASN 61 CO 0.11 0.19 0.83 0.29 -2.79 0.00 0.00 177.10 175.73 1jfz n LYS 62 N 2.99 1.41 -2.70 0.43 4.01 -1.26 -4.82 118.16 118.21 1jfz n LYS 62 Ca -0.17 -1.16 -0.40 0.00 -0.51 0.00 0.00 58.31 56.06 1jfz n LYS 62 Cb 0.53 -1.03 -0.05 0.00 -0.51 0.00 0.00 35.03 33.96 1jfz n LYS 62 CO 0.00 0.00 0.00 1.03 -1.11 0.00 0.00 177.40 177.32 1jfz s ARG 63 N -0.64 4.78 0.39 1.97 0.52 -1.26 -4.90 118.95 119.82 1jfz s ARG 63 Ca 0.03 1.53 0.19 0.00 -0.52 0.00 0.00 55.73 56.95 1jfz s ARG 63 Cb 0.01 -3.29 1.12 0.00 0.52 0.00 0.00 34.95 33.32 1jfz s ARG 63 CO 0.02 0.39 1.74 1.05 0.02 0.00 0.00 175.30 178.52 1jfz h GLU 64 N 4.50 0.36 -0.23 3.54 -0.00 -1.98 0.36 114.58 121.13 1jfz h GLU 64 Ca -0.45 -0.02 0.07 0.00 -0.00 0.00 0.00 59.36 58.96 1jfz h GLU 64 Cb 1.20 -0.08 -0.01 0.00 -0.00 0.00 0.00 28.75 29.86 1jfz h GLU 64 CO 0.69 0.24 0.36 0.78 -0.00 0.00 0.00 179.01 181.08 1jfz h GLY 65 N 0.37 0.00 0.42 1.06 0.00 -2.00 -0.12 103.07 102.79 1jfz h GLY 65 Ca 0.63 0.00 -0.36 0.00 0.00 0.00 0.00 47.33 47.60 1jfz h GLY 65 CO -0.34 0.00 -2.14 0.33 0.00 0.00 0.00 176.54 174.39 1jfz n PHE 66 N -3.42 0.74 -0.08 5.60 7.35 0.13 -4.55 117.46 123.22 1jfz n PHE 66 Ca 0.03 0.17 -0.10 0.00 -0.76 0.00 0.00 57.45 56.79 1jfz n PHE 66 Cb 0.48 -1.10 0.04 0.00 0.35 0.00 0.00 39.48 39.25 1jfz n PHE 66 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 1jfz h LEU 67 N 0.04 0.83 0.05 -2.13 3.38 -0.85 -3.23 115.31 113.39 1jfz h LEU 67 Ca -0.47 -0.36 0.01 0.00 0.09 0.00 0.00 57.88 57.15 1jfz h LEU 67 Cb 2.01 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 42.51 1jfz h LEU 67 CO 0.03 1.10 -0.09 0.28 0.09 0.00 0.00 178.44 179.85 1jfz h SER 68 N 0.65 -0.25 0.43 -0.43 0.02 -1.33 -2.65 113.55 109.99 1jfz h SER 68 Ca 0.06 0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 61.03 1jfz h SER 68 Cb 0.91 0.10 -0.01 0.00 0.14 0.00 0.00 62.40 63.53 1jfz h SER 68 CO 0.08 -0.13 -0.38 -0.65 -1.14 0.00 0.00 176.83 174.61 1jfz h PRO 69 N -0.18 -0.76 -0.63 3.45 0.11 -1.81 0.10 132.00 132.28 1jfz h PRO 69 Ca 0.02 0.05 0.06 0.00 0.11 0.00 0.00 66.00 66.24 1jfz h PRO 69 Cb 0.19 0.17 -0.04 0.00 0.11 0.00 0.00 31.00 31.44 1jfz h PRO 69 CO -0.06 -0.51 0.42 1.37 -0.21 0.00 0.00 178.00 179.01 1jfz h LEU 70 N -0.79 0.56 -0.43 2.35 -0.00 -1.68 0.11 115.31 115.43 1jfz h LEU 70 Ca -0.06 0.00 0.06 0.00 -0.00 0.00 0.00 57.88 57.89 1jfz h LEU 70 Cb 0.67 -0.12 -0.05 0.00 -0.00 0.00 0.00 40.66 41.16 1jfz h LEU 70 CO -0.02 0.37 0.12 0.50 -0.00 0.00 0.00 178.44 179.41 1jfz h LYS 71 N 0.64 0.25 -0.55 0.17 3.11 -1.06 0.52 116.57 119.65 1jfz h LYS 71 Ca 0.27 -0.02 0.04 0.00 -2.81 0.00 0.00 60.65 58.14 1jfz h LYS 71 Cb 0.24 -0.06 -0.03 0.00 -1.00 0.00 0.00 32.23 31.38 1jfz h LYS 71 CO -0.08 0.17 0.36 0.00 -2.81 0.00 0.00 179.45 177.09 1jfz h ALA 72 N 1.30 1.78 -0.02 5.00 0.00 0.18 -0.50 119.26 127.00 1jfz h ALA 72 Ca 0.20 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 1jfz h ALA 72 Cb 0.23 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1jfz h ALA 72 CO -0.24 0.15 -0.05 -0.92 0.00 0.00 0.00 179.25 178.19 1jfz h TYR 73 N 0.58 0.09 0.00 0.00 3.20 -0.65 -2.19 116.97 118.01 1jfz h TYR 73 Ca 0.23 -0.03 -0.00 0.00 3.14 0.00 0.00 58.73 62.06 1jfz h TYR 73 Cb 0.17 -0.01 -0.00 0.00 1.54 0.00 0.00 36.73 38.43 1jfz h TYR 73 CO -0.00 0.67 -0.01 -0.07 -1.64 0.00 0.00 178.16 177.11 1jfz h LEU 74 N -0.52 0.00 -0.64 2.82 3.38 0.77 0.18 115.31 121.30 1jfz h LEU 74 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1jfz h LEU 74 Cb 0.67 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.42 1jfz h LEU 74 CO 0.01 0.01 -0.60 2.30 0.09 0.00 0.00 178.44 180.25 1jfz n ILE 75 N -3.12 0.00 -1.56 1.22 -5.35 -0.27 -4.68 119.36 105.61 1jfz n ILE 75 Ca -0.01 -0.20 -0.39 0.00 -0.27 0.00 0.00 62.75 61.87 1jfz n ILE 75 Cb 0.20 1.16 0.03 0.00 -1.74 0.00 0.00 39.64 39.29 1jfz n ILE 75 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 1jfz n SER 76 N -0.52 0.23 0.30 7.28 3.41 0.63 -4.73 113.62 120.22 1jfz n SER 76 Ca 0.07 0.86 0.16 0.00 -0.26 0.00 0.00 58.87 59.70 1jfz n SER 76 Cb 0.39 -1.29 0.96 0.00 -0.26 0.00 0.00 64.21 64.01 1jfz n SER 76 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 1jfz h GLU 77 N 0.75 0.00 -0.19 4.33 4.81 -1.89 -1.38 114.58 121.00 1jfz h GLU 77 Ca -0.46 0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 58.62 1jfz h GLU 77 Cb 1.37 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.75 1jfz h GLU 77 CO 0.51 0.00 -0.46 0.93 -0.73 0.00 0.00 179.01 179.27 1jfz h GLU 78 N 0.00 0.65 -0.03 1.92 4.39 -1.88 -1.58 114.58 118.06 1jfz h GLU 78 Ca 0.00 -0.44 -0.21 0.00 0.34 0.00 0.00 59.36 59.06 1jfz h GLU 78 Cb 0.02 0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 28.74 1jfz h GLU 78 CO -0.00 1.06 -0.85 0.35 -1.16 0.00 0.00 179.01 178.41 1jfz h PHE 79 N 0.34 0.54 0.00 4.33 3.57 -1.67 -2.78 116.94 121.27 1jfz h PHE 79 Ca -0.00 -0.27 -0.07 0.00 3.53 0.00 0.00 57.97 61.16 1jfz h PHE 79 Cb 1.07 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.73 1jfz h PHE 79 CO 0.09 1.07 -0.31 0.74 -2.23 0.00 0.00 178.31 177.67 1jfz h PHE 80 N 0.23 0.00 -0.29 0.41 -1.00 -1.16 -2.22 116.94 112.91 1jfz h PHE 80 Ca -0.06 0.00 -0.13 0.00 2.81 0.00 0.00 57.97 60.59 1jfz h PHE 80 Cb 1.46 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 41.02 1jfz h PHE 80 CO 0.05 0.31 -0.34 -0.91 -1.61 0.00 0.00 178.31 175.81 1jfz h ASN 81 N 0.00 0.80 -0.52 2.17 2.35 -1.21 -0.92 115.58 118.25 1jfz h ASN 81 Ca -0.00 -0.49 0.10 0.00 -0.55 0.00 0.00 56.30 55.36 1jfz h ASN 81 Cb 0.68 -0.23 -0.11 0.00 0.05 0.00 0.00 38.32 38.72 1jfz h ASN 81 CO 0.04 1.12 -0.25 -0.07 -1.65 0.00 0.00 177.43 176.62 1jfz h LEU 82 N 0.49 -0.86 -0.63 1.61 4.07 -1.15 -0.12 115.31 118.71 1jfz h LEU 82 Ca 0.04 0.19 -0.14 0.00 0.08 0.00 0.00 57.88 58.05 1jfz h LEU 82 Cb 0.92 0.46 -0.01 0.00 1.08 0.00 0.00 40.66 43.11 1jfz h LEU 82 CO 0.08 -0.26 -0.50 -0.07 -1.08 0.00 0.00 178.44 176.60 1jfz h LEU 83 N -0.13 0.51 -1.49 1.67 3.38 -1.34 -2.98 115.31 114.93 1jfz h LEU 83 Ca 0.23 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1jfz h LEU 83 Cb 0.50 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 1jfz h LEU 83 CO -0.60 0.92 0.33 0.00 0.09 0.00 0.00 178.44 179.18 1jfz h ALA 84 N 1.09 1.63 0.00 1.53 0.00 -0.16 -1.61 119.26 121.74 1jfz h ALA 84 Ca 0.02 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1jfz h ALA 84 Cb 1.01 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 1jfz h ALA 84 CO 0.09 0.34 -0.01 1.96 0.00 0.00 0.00 179.25 181.63 1jfz h GLN 85 N 0.68 0.00 0.00 0.00 4.20 -0.89 -0.38 115.11 118.72 1jfz h GLN 85 Ca 0.18 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.89 1jfz h GLN 85 Cb -0.07 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.71 1jfz h GLN 85 CO -0.04 0.01 0.00 0.87 -0.67 0.00 0.00 178.83 179.00 1jfz h LYS 86 N 0.00 0.00 -0.05 1.46 6.56 -1.39 -2.64 116.57 120.51 1jfz h LYS 86 Ca -0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 1jfz h LYS 86 Cb 0.02 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.68 1jfz h LYS 86 CO 0.00 0.00 0.00 1.28 -2.06 0.00 0.00 179.45 178.67 1jfz n LEU 87 N -2.31 1.75 -4.00 2.94 4.77 -0.18 -4.97 117.00 115.01 1jfz n LEU 87 Ca 0.01 -1.45 -0.43 0.00 -0.03 0.00 0.00 56.01 54.10 1jfz n LEU 87 Cb 0.17 -0.03 0.02 0.00 -2.33 0.00 0.00 43.42 41.25 1jfz n LEU 87 CO 0.17 0.42 -0.15 -1.84 -1.33 0.00 0.00 177.39 174.65 1jfz n GLU 88 N 0.03 -0.49 0.18 3.23 0.28 -1.00 -4.87 120.64 118.01 1jfz n GLU 88 Ca 0.03 0.16 0.05 0.00 -0.16 0.00 0.00 57.16 57.23 1jfz n GLU 88 Cb 0.19 -2.90 0.29 0.00 1.43 0.00 0.00 31.44 30.44 1jfz n GLU 88 CO 0.00 0.00 0.00 1.25 -0.16 0.00 0.00 177.13 178.22 1jfz h LEU 89 N -2.47 0.00 -1.92 -1.84 6.46 -1.86 -3.11 115.31 110.58 1jfz h LEU 89 Ca -0.70 0.00 0.12 0.00 -0.12 0.00 0.00 57.88 57.18 1jfz h LEU 89 Cb 1.40 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 41.31 1jfz h LEU 89 CO 0.52 0.41 0.33 1.12 -0.62 0.00 0.00 178.44 180.19 1jfz h HIS 90 N 0.00 0.10 0.00 1.25 2.07 -1.89 -1.06 115.15 115.61 1jfz h HIS 90 Ca -0.00 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.50 1jfz h HIS 90 Cb 0.98 -0.03 -0.00 0.00 2.57 0.00 0.00 27.41 30.93 1jfz h HIS 90 CO 0.00 0.04 -0.07 -0.22 -3.07 0.00 0.00 177.93 174.61 1jfz h LYS 91 N 0.09 0.00 -0.01 5.12 3.64 -1.91 -3.27 116.57 120.23 1jfz h LYS 91 Ca 0.22 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.60 1jfz h LYS 91 Cb 0.76 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.58 1jfz h LYS 91 CO -0.02 0.07 -0.26 1.19 -2.27 0.00 0.00 179.45 178.16 1jfz n PHE 92 N -3.14 0.00 -2.36 1.91 3.01 -0.42 -5.01 117.46 111.45 1jfz n PHE 92 Ca 0.02 0.00 -0.40 0.00 1.01 0.00 0.00 57.45 58.09 1jfz n PHE 92 Cb 0.46 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.90 1jfz n PHE 92 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 1jfz s ILE 93 N -1.50 3.26 -0.41 4.37 1.01 -1.08 -4.87 121.20 121.98 1jfz s ILE 93 Ca 0.08 1.19 -0.15 0.00 0.00 0.00 0.00 60.65 61.77 1jfz s ILE 93 Cb 0.09 -3.73 0.02 0.00 0.01 0.00 0.00 42.46 38.85 1jfz s ILE 93 CO 0.29 0.23 0.31 -0.13 0.00 0.00 0.00 174.94 175.64 1jfz s ARG 94 N -1.81 3.00 0.09 2.79 0.52 0.21 -4.97 118.95 118.78 1jfz s ARG 94 Ca 0.50 -0.98 -0.02 0.00 -0.52 0.00 0.00 55.73 54.70 1jfz s ARG 94 Cb -0.33 -3.97 -0.04 0.00 0.52 0.00 0.00 34.95 31.14 1jfz s ARG 94 CO 0.42 -0.75 0.04 -1.50 0.02 0.00 0.00 175.30 173.53 1jfz s ILE 95 N 1.73 0.15 0.00 1.52 2.07 -1.26 -0.78 121.20 124.63 1jfz s ILE 95 Ca 0.06 -1.78 0.00 0.00 -1.41 0.00 0.00 60.65 57.52 1jfz s ILE 95 Cb -0.19 -1.75 0.00 0.00 0.13 0.00 0.00 42.46 40.65 1jfz s ILE 95 CO 0.10 -0.70 0.00 1.17 -1.91 0.00 0.00 174.94 173.60 1jfz n LYS 96 N -0.01 2.29 -1.31 3.50 4.81 -1.26 -4.87 118.16 121.30 1jfz n LYS 96 Ca -0.10 0.00 -0.11 0.00 -0.87 0.00 0.00 58.31 57.23 1jfz n LYS 96 Cb 0.62 0.00 -0.11 0.00 0.02 0.00 0.00 35.03 35.57 1jfz n LYS 96 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1jfz n ARG 97 N 0.00 0.07 0.00 1.64 3.00 -1.26 -4.54 116.66 115.57 1jfz n ARG 97 Ca 0.00 -0.27 0.00 0.00 -0.01 0.00 0.00 57.85 57.57 1jfz n ARG 97 Cb 0.00 -1.58 0.00 0.00 0.00 0.00 0.00 32.46 30.88 1jfz n ARG 97 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1jfz n GLY 98 N 5.29 2.60 3.56 -0.13 0.00 -1.26 -5.11 105.19 110.15 1jfz n GLY 98 Ca 0.35 -1.62 -0.30 0.00 0.00 0.00 0.00 46.02 44.45 1jfz n GLY 98 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jfz s LYS 99 N -1.88 2.06 0.61 1.61 3.01 -1.26 -5.00 119.74 118.89 1jfz s LYS 99 Ca 0.00 -1.05 -0.18 0.00 -1.01 0.00 0.00 55.97 53.73 1jfz s LYS 99 Cb 0.00 -2.27 -0.04 0.00 -1.01 0.00 0.00 37.83 34.51 1jfz s LYS 99 CO 0.00 0.50 0.99 -0.89 0.51 0.00 0.00 175.35 176.46 1jfz n ILE 100 N 0.73 3.82 -4.49 2.17 2.08 -1.26 -5.05 119.36 117.37 1jfz n ILE 100 Ca -0.14 -0.50 -0.23 0.00 0.56 0.00 0.00 62.75 62.44 1jfz n ILE 100 Cb 0.52 -1.17 -0.10 0.00 -0.75 0.00 0.00 39.64 38.15 1jfz n ILE 100 CO 0.00 0.00 0.00 0.20 0.56 0.00 0.00 176.55 177.31 1jfz s ASN 101 N -1.27 2.60 0.15 4.38 0.01 -1.26 -5.03 114.94 114.51 1jfz s ASN 101 Ca 0.77 -1.49 -0.13 0.00 -0.71 0.00 0.00 52.86 51.29 1jfz s ASN 101 Cb -0.41 0.15 0.02 0.00 0.41 0.00 0.00 41.25 41.42 1jfz s ASN 101 CO 0.46 -0.73 1.62 -0.33 -1.51 0.00 0.00 177.10 176.61 1jfz h GLU 102 N 1.96 0.81 0.04 -0.60 3.07 -1.98 -0.19 114.58 117.70 1jfz h GLU 102 Ca -0.39 -0.23 -0.00 0.00 -0.50 0.00 0.00 59.36 58.24 1jfz h GLU 102 Cb 1.26 -0.09 0.00 0.00 -0.84 0.00 0.00 28.75 29.08 1jfz h GLU 102 CO 0.66 0.83 -0.02 1.15 -1.40 0.00 0.00 179.01 180.22 1jfz h THR 103 N 0.68 0.97 -0.37 1.13 2.02 -1.96 0.22 112.91 115.60 1jfz h THR 103 Ca 0.14 -0.06 -0.01 0.00 0.77 0.00 0.00 66.41 67.26 1jfz h THR 103 Cb 0.42 1.01 -0.02 0.00 -1.74 0.00 0.00 68.15 67.83 1jfz h THR 103 CO 0.01 0.01 0.19 0.40 0.37 0.00 0.00 175.52 176.51 1jfz h ILE 104 N -0.09 1.16 -0.67 3.11 2.04 -1.96 -0.46 117.51 120.64 1jfz h ILE 104 Ca -0.01 -0.44 0.04 0.00 1.00 0.00 0.00 64.86 65.45 1jfz h ILE 104 Cb 0.07 0.77 -0.04 0.00 -0.74 0.00 0.00 36.82 36.88 1jfz h ILE 104 CO 0.01 0.17 0.44 0.40 0.00 0.00 0.00 178.15 179.17 1jfz h ILE 105 N 0.47 1.08 -0.61 -0.67 2.04 -0.81 0.21 117.51 119.22 1jfz h ILE 105 Ca 0.13 -0.27 -0.08 0.00 1.00 0.00 0.00 64.86 65.64 1jfz h ILE 105 Cb 0.10 0.23 -0.02 0.00 -0.74 0.00 0.00 36.82 36.38 1jfz h ILE 105 CO -0.02 0.14 0.06 1.23 0.00 0.00 0.00 178.15 179.57 1jfz h GLY 106 N 0.78 1.10 1.88 5.37 0.00 0.08 -1.96 103.07 110.32 1jfz h GLY 106 Ca 0.27 -0.74 -0.22 0.00 0.00 0.00 0.00 47.33 46.64 1jfz h GLY 106 CO -0.08 0.69 -1.04 -0.55 0.00 0.00 0.00 176.54 175.56 1jfz h ASP 107 N 0.95 0.14 0.09 0.19 3.32 -0.47 -3.08 116.42 117.55 1jfz h ASP 107 Ca 0.18 -0.14 -0.16 0.00 0.02 0.00 0.00 57.03 56.93 1jfz h ASP 107 Cb 0.46 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.96 1jfz h ASP 107 CO 0.02 1.09 -0.55 0.58 -1.72 0.00 0.00 179.24 178.65 1jfz h VAL 108 N 0.03 1.33 0.09 -1.35 2.07 -0.54 -2.28 116.25 115.61 1jfz h VAL 108 Ca -0.05 -1.81 0.01 0.00 0.82 0.00 0.00 66.70 65.67 1jfz h VAL 108 Cb 1.78 1.80 -0.01 0.00 -1.52 0.00 0.00 31.29 33.34 1jfz h VAL 108 CO 0.15 0.56 -0.12 0.15 0.02 0.00 0.00 177.57 178.33 1jfz h PHE 109 N 0.38 -0.31 -0.76 1.57 3.57 -1.39 0.51 116.94 120.51 1jfz h PHE 109 Ca 0.01 0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.61 1jfz h PHE 109 Cb 1.08 0.13 -0.05 0.00 2.79 0.00 0.00 35.95 39.90 1jfz h PHE 109 CO 0.04 -0.19 0.50 0.93 -2.23 0.00 0.00 178.31 177.36 1jfz h GLU 110 N -0.25 0.63 -0.26 1.11 5.08 -1.54 -2.70 114.58 116.64 1jfz h GLU 110 Ca 0.01 -0.04 -0.10 0.00 -1.00 0.00 0.00 59.36 58.24 1jfz h GLU 110 Cb 0.26 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.36 1jfz h GLU 110 CO -0.05 0.42 -0.22 0.00 -1.00 0.00 0.00 179.01 178.16 1jfz h ALA 111 N 1.62 0.38 -0.30 3.43 0.00 -0.16 -2.60 119.26 121.63 1jfz h ALA 111 Ca 0.35 -0.37 0.07 0.00 0.00 0.00 0.00 54.91 54.96 1jfz h ALA 111 Cb 0.49 -0.08 -0.08 0.00 0.00 0.00 0.00 17.79 18.12 1jfz h ALA 111 CO -0.13 0.33 -0.25 1.25 0.00 0.00 0.00 179.25 180.46 1jfz h LEU 112 N 0.34 -0.80 -1.03 0.00 5.85 0.19 -0.57 115.31 119.28 1jfz h LEU 112 Ca 0.05 0.15 -0.04 0.00 0.84 0.00 0.00 57.88 58.88 1jfz h LEU 112 Cb 0.77 0.39 -0.03 0.00 0.37 0.00 0.00 40.66 42.16 1jfz h LEU 112 CO 0.06 -0.28 0.20 -0.50 -0.34 0.00 0.00 178.44 177.58 1jfz h TRP 113 N -0.23 0.91 -0.79 1.25 4.06 -1.47 0.21 115.95 119.90 1jfz h TRP 113 Ca 0.15 -0.07 -0.04 0.00 2.06 0.00 0.00 58.89 60.99 1jfz h TRP 113 Cb 0.47 -0.27 -0.04 0.00 -1.00 0.00 0.00 29.16 28.32 1jfz h TRP 113 CO -0.43 0.73 0.33 0.00 -3.56 0.00 0.00 178.44 175.51 1jfz h ALA 114 N 1.34 1.03 -0.10 1.49 0.00 -1.10 0.05 119.26 121.97 1jfz h ALA 114 Ca 0.20 -0.19 -0.18 0.00 0.00 0.00 0.00 54.91 54.75 1jfz h ALA 114 Cb 0.23 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1jfz h ALA 114 CO -0.01 0.64 -0.68 0.00 0.00 0.00 0.00 179.25 179.20 1jfz h ALA 115 N 1.17 0.64 -0.17 0.00 0.00 -0.03 -1.26 119.26 119.62 1jfz h ALA 115 Ca 0.27 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1jfz h ALA 115 Cb 0.20 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1jfz h ALA 115 CO -0.02 0.74 0.11 0.28 0.00 0.00 0.00 179.25 180.35 1jfz h VAL 116 N 0.30 1.05 -0.31 0.00 2.07 -0.37 1.02 116.25 120.02 1jfz h VAL 116 Ca -0.02 -0.11 0.04 0.00 0.82 0.00 0.00 66.70 67.43 1jfz h VAL 116 Cb 1.24 0.83 -0.08 0.00 -1.52 0.00 0.00 31.29 31.76 1jfz h VAL 116 CO 0.12 0.05 -0.54 0.22 0.02 0.00 0.00 177.57 177.44 1jfz h TYR 117 N 0.21 -1.63 -0.11 1.57 3.20 -0.93 -1.27 116.97 118.01 1jfz h TYR 117 Ca 0.06 0.07 -0.01 0.00 3.14 0.00 0.00 58.73 62.00 1jfz h TYR 117 Cb -0.01 0.75 -0.00 0.00 1.54 0.00 0.00 36.73 39.01 1jfz h TYR 117 CO -0.06 -0.51 0.05 0.82 -1.64 0.00 0.00 178.16 176.82 1jfz h ILE 118 N -0.46 1.14 -0.05 1.81 2.04 -0.90 0.14 117.51 121.23 1jfz h ILE 118 Ca 0.06 -0.42 0.02 0.00 1.00 0.00 0.00 64.86 65.52 1jfz h ILE 118 Cb 0.63 1.22 -0.00 0.00 -0.74 0.00 0.00 36.82 37.93 1jfz h ILE 118 CO -0.54 0.13 0.04 -0.78 0.00 0.00 0.00 178.15 177.00 1jfz h ASP 119 N 0.03 0.00 -0.21 1.72 3.58 0.14 0.13 116.42 121.81 1jfz h ASP 119 Ca 0.04 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.49 1jfz h ASP 119 Cb 0.16 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.21 1jfz h ASP 119 CO -0.00 0.00 0.00 -1.54 -2.88 0.00 0.00 179.24 174.82 1jfz n SER 120 N -4.22 1.11 -1.54 2.28 3.41 -0.51 -4.64 113.62 109.50 1jfz n SER 120 Ca -0.02 -2.00 -0.05 0.00 -0.26 0.00 0.00 58.87 56.54 1jfz n SER 120 Cb 0.14 -0.14 0.02 0.00 -0.26 0.00 0.00 64.21 63.98 1jfz n SER 120 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1jfz n GLY 121 N 0.83 0.32 3.86 5.00 0.00 0.43 -3.84 105.19 111.79 1jfz n GLY 121 Ca 0.07 -0.36 -0.28 0.00 0.00 0.00 0.00 46.02 45.46 1jfz n GLY 121 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jfz n ARG 122 N -1.78 -5.24 -3.05 1.61 1.74 0.47 -4.90 116.66 105.50 1jfz n ARG 122 Ca -0.05 0.59 -0.45 0.00 -0.77 0.00 0.00 57.85 57.17 1jfz n ARG 122 Cb 0.54 -5.36 -0.03 0.00 -1.02 0.00 0.00 32.46 26.59 1jfz n ARG 122 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1jfz s ASP 123 N -3.66 6.60 0.42 0.55 -1.08 -1.11 -4.92 116.67 113.48 1jfz s ASP 123 Ca 0.45 -2.12 0.21 0.00 -0.52 0.00 0.00 52.55 50.58 1jfz s ASP 123 Cb -0.22 -2.34 0.92 0.00 -1.46 0.00 0.00 42.92 39.81 1jfz s ASP 123 CO 0.83 -0.95 1.84 0.00 0.52 0.00 0.00 175.17 177.41 1jfz h ALA 124 N 8.62 1.10 0.12 3.66 0.00 -1.90 -2.07 119.26 128.79 1jfz h ALA 124 Ca 0.08 -0.25 -0.26 0.00 0.00 0.00 0.00 54.91 54.48 1jfz h ALA 124 Cb 1.04 -0.04 0.03 0.00 0.00 0.00 0.00 17.79 18.81 1jfz h ALA 124 CO 1.01 0.35 -1.09 -0.91 0.00 0.00 0.00 179.25 178.61 1jfz h ASN 125 N 0.00 0.75 -0.15 0.00 2.35 -1.99 -2.54 115.58 114.00 1jfz h ASN 125 Ca -0.00 -0.85 -0.02 0.00 -0.55 0.00 0.00 56.30 54.88 1jfz h ASN 125 Cb 0.71 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.83 1jfz h ASN 125 CO 0.04 1.53 0.01 0.15 -1.65 0.00 0.00 177.43 177.50 1jfz h PHE 126 N 0.09 0.28 -0.40 1.19 3.57 -1.99 -2.44 116.94 117.24 1jfz h PHE 126 Ca -0.17 -0.04 0.04 0.00 3.53 0.00 0.00 57.97 61.33 1jfz h PHE 126 Cb 1.80 -0.07 -0.04 0.00 2.79 0.00 0.00 35.95 40.42 1jfz h PHE 126 CO 0.14 0.46 0.16 1.15 -2.23 0.00 0.00 178.31 177.99 1jfz h THR 127 N 0.02 0.91 -0.85 4.41 2.02 -1.46 0.15 112.91 118.12 1jfz h THR 127 Ca 0.04 -0.11 0.05 0.00 0.77 0.00 0.00 66.41 67.16 1jfz h THR 127 Cb 0.34 0.55 -0.05 0.00 -1.74 0.00 0.00 68.15 67.25 1jfz h THR 127 CO 0.01 0.06 0.56 -0.09 0.37 0.00 0.00 175.52 176.42 1jfz h ARG 128 N 0.33 0.98 -0.11 6.66 2.43 -1.46 -1.43 114.38 121.77 1jfz h ARG 128 Ca 0.18 -0.06 -0.17 0.00 -0.81 0.00 0.00 59.98 59.13 1jfz h ARG 128 Cb 0.14 -0.22 0.01 0.00 -0.42 0.00 0.00 29.97 29.48 1jfz h ARG 128 CO -0.17 0.65 -0.58 0.93 -1.51 0.00 0.00 179.97 179.29 1jfz h GLU 129 N 1.00 0.59 -0.61 0.20 4.39 -0.77 -0.76 114.58 118.62 1jfz h GLU 129 Ca 0.35 -0.49 0.13 0.00 0.34 0.00 0.00 59.36 59.69 1jfz h GLU 129 Cb 0.11 0.10 -0.11 0.00 -0.10 0.00 0.00 28.75 28.75 1jfz h GLU 129 CO -0.11 1.11 -0.05 1.25 -1.16 0.00 0.00 179.01 180.04 1jfz h LEU 130 N 0.23 -0.37 -1.02 1.33 6.46 -0.42 0.26 115.31 121.78 1jfz h LEU 130 Ca -0.04 0.16 0.04 0.00 -0.12 0.00 0.00 57.88 57.92 1jfz h LEU 130 Cb 1.22 0.31 -0.06 0.00 -0.73 0.00 0.00 40.66 41.40 1jfz h LEU 130 CO 0.12 -0.15 0.66 0.15 -0.62 0.00 0.00 178.44 178.60 1jfz h PHE 131 N 0.07 1.23 0.09 1.25 3.57 -1.14 -2.48 116.94 119.54 1jfz h PHE 131 Ca 0.31 0.03 -0.27 0.00 3.53 0.00 0.00 57.97 61.57 1jfz h PHE 131 Cb 0.50 -0.41 0.02 0.00 2.79 0.00 0.00 35.95 38.84 1jfz h PHE 131 CO -0.41 0.71 -1.15 1.88 -2.23 0.00 0.00 178.31 177.11 1jfz h TYR 132 N 1.27 0.76 -0.28 0.41 0.05 0.38 0.53 116.97 120.09 1jfz h TYR 132 Ca 0.40 -0.48 0.07 0.00 0.05 0.00 0.00 58.73 58.77 1jfz h TYR 132 Cb -0.00 -0.06 -0.07 0.00 1.01 0.00 0.00 36.73 37.60 1jfz h TYR 132 CO -0.00 1.33 -0.19 0.87 -1.05 0.00 0.00 178.16 179.12 1jfz h LYS 133 N 0.21 -0.16 -0.12 4.88 1.79 -0.33 0.30 116.57 123.14 1jfz h LYS 133 Ca -0.14 0.01 -0.05 0.00 -2.18 0.00 0.00 60.65 58.29 1jfz h LYS 133 Cb 1.83 0.04 -0.00 0.00 -1.58 0.00 0.00 32.23 32.51 1jfz h LYS 133 CO 0.21 -0.10 -0.10 -0.07 -1.08 0.00 0.00 179.45 178.30 1jfz h LEU 134 N -0.16 0.29 -0.66 2.94 3.38 -1.47 -3.41 115.31 116.23 1jfz h LEU 134 Ca 0.15 -0.47 0.00 0.00 0.09 0.00 0.00 57.88 57.65 1jfz h LEU 134 Cb 0.39 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1jfz h LEU 134 CO -0.38 0.70 0.00 0.49 0.09 0.00 0.00 178.44 179.34 1jfz n PHE 135 N -4.63 0.00 0.26 1.13 3.72 0.17 -4.64 117.46 113.47 1jfz n PHE 135 Ca -0.06 0.00 0.10 0.00 -0.05 0.00 0.00 57.45 57.43 1jfz n PHE 135 Cb 0.33 0.00 0.67 0.00 -0.94 0.00 0.00 39.48 39.54 1jfz n PHE 135 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 1jfz h LYS 136 N 0.00 0.00 -0.28 -1.08 3.64 -0.50 -2.05 116.57 116.31 1jfz h LYS 136 Ca 0.00 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.35 1jfz h LYS 136 Cb 0.05 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.86 1jfz h LYS 136 CO 0.00 0.09 0.06 1.49 -2.27 0.00 0.00 179.45 178.82 1jfz h GLU 137 N 0.00 0.46 -0.11 1.90 4.81 -1.82 -2.21 114.58 117.60 1jfz h GLU 137 Ca -0.00 -0.11 -0.12 0.00 -0.13 0.00 0.00 59.36 58.99 1jfz h GLU 137 Cb 0.19 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.52 1jfz h GLU 137 CO 0.01 0.55 -0.41 -0.44 -0.73 0.00 0.00 179.01 177.99 1jfz h ASP 138 N 0.29 0.56 -0.91 1.04 3.32 -1.70 -2.31 116.42 116.70 1jfz h ASP 138 Ca 0.09 -0.62 0.11 0.00 0.02 0.00 0.00 57.03 56.63 1jfz h ASP 138 Cb 0.30 -0.16 -0.07 0.00 0.22 0.00 0.00 39.33 39.62 1jfz h ASP 138 CO 0.00 1.08 0.59 0.40 -1.72 0.00 0.00 179.24 179.59 1jfz h ILE 139 N 0.07 0.92 -0.17 0.35 2.04 -1.42 0.47 117.51 119.76 1jfz h ILE 139 Ca -0.02 -0.29 -0.20 0.00 1.00 0.00 0.00 64.86 65.35 1jfz h ILE 139 Cb 1.04 -0.01 0.00 0.00 -0.74 0.00 0.00 36.82 37.12 1jfz h ILE 139 CO 0.09 0.16 -0.69 -0.07 0.00 0.00 0.00 178.15 177.64 1jfz h LEU 140 N 0.86 0.79 -0.71 1.44 3.38 -1.37 -2.58 115.31 117.12 1jfz h LEU 140 Ca 0.44 -0.48 -0.13 0.00 0.09 0.00 0.00 57.88 57.80 1jfz h LEU 140 Cb 0.51 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 1jfz h LEU 140 CO -0.20 1.25 -0.39 0.77 0.09 0.00 0.00 178.44 179.96 1jfz h SER 141 N 0.48 0.57 0.28 -0.43 4.64 -0.66 -3.27 113.55 115.17 1jfz h SER 141 Ca -0.02 -0.25 -0.00 0.00 -0.47 0.00 0.00 61.79 61.04 1jfz h SER 141 Cb 1.28 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 63.19 1jfz h SER 141 CO 0.14 0.90 -0.39 0.00 -0.87 0.00 0.00 176.83 176.61 1jfz h ALA 142 N 1.13 -1.00 -1.00 5.18 0.00 0.09 -3.07 119.26 120.59 1jfz h ALA 142 Ca 0.04 -0.12 0.35 0.00 0.00 0.00 0.00 54.91 55.18 1jfz h ALA 142 Cb 0.88 0.67 -0.16 0.00 0.00 0.00 0.00 17.79 19.18 1jfz h ALA 142 CO 0.08 -1.05 0.55 0.82 0.00 0.00 0.00 179.25 179.65 1jfz h ILE 143 N -0.69 0.20 -0.18 0.00 2.04 -1.51 0.36 117.51 117.73 1jfz h ILE 143 Ca -0.03 -0.07 -0.13 0.00 1.00 0.00 0.00 64.86 65.62 1jfz h ILE 143 Cb 0.62 -0.03 -0.05 0.00 -0.74 0.00 0.00 36.82 36.62 1jfz h ILE 143 CO -0.11 0.04 0.09 0.29 0.00 0.00 0.00 178.15 178.46 1jfz n LYS 144 N -5.13 1.39 -2.63 2.37 5.02 -1.16 -4.77 118.16 113.25 1jfz n LYS 144 Ca 0.34 -0.64 -0.05 0.00 -2.02 0.00 0.00 58.31 55.94 1jfz n LYS 144 Cb 1.08 -1.33 0.02 0.00 -0.02 0.00 0.00 35.03 34.78 1jfz n LYS 144 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 1jfz n GLU 145 N 1.27 -1.19 -3.09 1.97 0.00 -0.03 -4.99 120.64 114.59 1jfz n GLU 145 Ca 0.15 0.93 -0.41 0.00 0.00 0.00 0.00 57.16 57.84 1jfz n GLU 145 Cb 0.57 -4.47 -0.00 0.00 0.00 0.00 0.00 31.44 27.54 1jfz n GLU 145 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1jfz n GLY 146 N -1.44 5.07 1.72 8.31 0.00 -0.33 -5.03 105.19 113.49 1jfz n GLY 146 Ca -0.02 -2.68 0.00 0.00 0.00 0.00 0.00 46.02 43.32 1jfz n GLY 146 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19