#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fex n ARG 2 N 0.00 0.84 -0.81 1.61 1.74 -1.26 -5.06 116.66 113.72 1fex n ARG 2 Ca 0.00 -3.12 0.03 0.00 -0.77 0.00 0.00 57.85 53.99 1fex n ARG 2 Cb 0.00 0.56 0.18 0.00 -1.02 0.00 0.00 32.46 32.17 1fex n ARG 2 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 1fex n ILE 3 N -1.41 2.04 -3.28 0.55 -0.00 -1.26 -5.11 119.36 110.89 1fex n ILE 3 Ca -0.09 -3.13 0.00 0.00 -0.00 0.00 0.00 62.75 59.53 1fex n ILE 3 Cb 0.56 -0.20 0.00 0.00 -0.00 0.00 0.00 39.64 40.00 1fex n ILE 3 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1fex n ALA 4 N -0.94 0.00 -3.56 -1.39 0.00 -1.26 -4.98 120.51 108.37 1fex n ALA 4 Ca 0.20 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.54 1fex n ALA 4 Cb 0.75 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.20 1fex n ALA 4 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1fex s PHE 5 N 0.00 0.27 0.09 0.00 0.08 -1.26 -5.10 117.98 112.06 1fex s PHE 5 Ca 0.00 -0.78 -0.01 0.00 0.12 0.00 0.00 56.93 56.26 1fex s PHE 5 Cb 0.00 0.55 0.01 0.00 -0.57 0.00 0.00 43.02 43.01 1fex s PHE 5 CO 0.00 -1.35 0.15 -2.37 -0.10 0.00 0.00 175.22 171.55 1fex n THR 6 N -0.50 0.00 0.09 0.64 5.66 -1.26 -5.03 114.28 113.88 1fex n THR 6 Ca -0.05 -0.42 -0.05 0.00 -3.05 0.00 0.00 64.05 60.49 1fex n THR 6 Cb 0.60 0.28 0.11 0.00 -1.55 0.00 0.00 70.33 69.77 1fex n THR 6 CO 0.00 0.00 0.00 0.44 -3.05 0.00 0.00 175.07 172.46 1fex h ASP 7 N 0.51 0.22 -0.24 1.09 5.19 -2.03 -3.06 116.42 118.10 1fex h ASP 7 Ca -0.07 -0.14 -0.06 0.00 -0.62 0.00 0.00 57.03 56.14 1fex h ASP 7 Cb 0.31 -0.06 -0.01 0.00 0.18 0.00 0.00 39.33 39.75 1fex h ASP 7 CO 0.10 0.81 -0.08 0.00 -3.12 0.00 0.00 179.24 176.95 1fex h ALA 8 N 1.19 0.34 -0.69 3.45 0.00 -2.00 -2.92 119.26 118.62 1fex h ALA 8 Ca -0.01 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 1fex h ALA 8 Cb 1.17 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.84 1fex h ALA 8 CO 0.10 0.16 0.40 -0.44 0.00 0.00 0.00 179.25 179.47 1fex h ASP 9 N 0.22 0.83 -0.11 0.00 3.32 -1.96 -2.08 116.42 116.64 1fex h ASP 9 Ca 0.06 -0.05 -0.06 0.00 0.02 0.00 0.00 57.03 56.99 1fex h ASP 9 Cb 0.56 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.89 1fex h ASP 9 CO 0.03 0.65 -0.11 0.44 -1.72 0.00 0.00 179.24 178.53 1fex h ASP 10 N 0.95 0.43 -0.09 6.45 5.19 -1.44 -1.96 116.42 125.95 1fex h ASP 10 Ca 0.25 -0.10 -0.07 0.00 -0.62 0.00 0.00 57.03 56.49 1fex h ASP 10 Cb -0.02 -0.11 0.00 0.00 0.18 0.00 0.00 39.33 39.38 1fex h ASP 10 CO -0.04 0.57 -0.21 0.58 -3.12 0.00 0.00 179.24 177.02 1fex h VAL 11 N 0.42 1.41 -0.14 -1.35 2.07 -1.20 -1.30 116.25 116.16 1fex h VAL 11 Ca 0.08 -1.54 -0.00 0.00 0.82 0.00 0.00 66.70 66.06 1fex h VAL 11 Cb 0.45 2.19 -0.01 0.00 -1.52 0.00 0.00 31.29 32.40 1fex h VAL 11 CO 0.02 0.44 0.07 0.00 0.02 0.00 0.00 177.57 178.13 1fex h ALA 12 N 0.49 0.18 -0.33 1.67 0.00 -1.34 0.27 119.26 120.20 1fex h ALA 12 Ca -0.00 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1fex h ALA 12 Cb 0.82 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 1fex h ALA 12 CO 0.05 -0.29 0.14 0.82 0.00 0.00 0.00 179.25 179.96 1fex h ILE 13 N 0.12 1.18 0.57 0.00 2.04 -1.43 0.11 117.51 120.10 1fex h ILE 13 Ca 0.05 -0.54 -0.03 0.00 1.00 0.00 0.00 64.86 65.34 1fex h ILE 13 Cb 0.07 0.93 0.01 0.00 -0.74 0.00 0.00 36.82 37.09 1fex h ILE 13 CO -0.01 0.19 -0.27 0.25 0.00 0.00 0.00 178.15 178.31 1fex h LEU 14 N 0.38 -0.65 -0.46 1.44 5.85 -1.04 0.68 115.31 121.52 1fex h LEU 14 Ca 0.11 0.02 0.09 0.00 0.84 0.00 0.00 57.88 58.94 1fex h LEU 14 Cb 0.17 0.17 -0.08 0.00 0.37 0.00 0.00 40.66 41.29 1fex h LEU 14 CO -0.01 -0.44 -0.01 0.74 -0.34 0.00 0.00 178.44 178.38 1fex h THR 15 N -0.81 0.64 0.08 1.05 2.02 -0.49 0.65 112.91 116.05 1fex h THR 15 Ca -0.08 -0.04 0.00 0.00 0.77 0.00 0.00 66.41 67.07 1fex h THR 15 Cb 0.59 0.53 -0.01 0.00 -1.74 0.00 0.00 68.15 67.52 1fex h THR 15 CO 0.13 0.02 -0.07 0.22 0.37 0.00 0.00 175.52 176.19 1fex h TYR 16 N 0.10 -0.18 0.09 3.16 5.03 -0.77 -1.48 116.97 122.92 1fex h TYR 16 Ca 0.23 0.00 -0.00 0.00 2.58 0.00 0.00 58.73 61.53 1fex h TYR 16 Cb 0.34 0.07 0.00 0.00 1.55 0.00 0.00 36.73 38.68 1fex h TYR 16 CO -0.30 -0.11 -0.04 0.28 -1.32 0.00 0.00 178.16 176.67 1fex h VAL 17 N -0.16 1.06 -0.10 1.81 2.07 -0.32 -2.11 116.25 118.50 1fex h VAL 17 Ca 0.00 -0.52 0.03 0.00 0.82 0.00 0.00 66.70 67.03 1fex h VAL 17 Cb 0.15 1.40 -0.00 0.00 -1.52 0.00 0.00 31.29 31.31 1fex h VAL 17 CO -0.01 0.13 0.22 0.50 0.02 0.00 0.00 177.57 178.43 1fex h LYS 18 N -0.36 0.00 0.00 1.57 1.63 0.37 0.45 116.57 120.23 1fex h LYS 18 Ca -0.01 0.00 -0.10 0.00 -0.85 0.00 0.00 60.65 59.69 1fex h LYS 18 Cb 0.30 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 31.91 1fex h LYS 18 CO 0.02 0.00 -1.33 0.39 -3.45 0.00 0.00 179.45 175.08 1fex n GLU 19 N -3.34 0.62 -0.06 1.90 1.02 -0.57 -4.63 120.64 115.59 1fex n GLU 19 Ca -0.00 0.15 -0.09 0.00 -0.02 0.00 0.00 57.16 57.20 1fex n GLU 19 Cb 0.32 -1.79 -0.03 0.00 -0.02 0.00 0.00 31.44 29.91 1fex n GLU 19 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1fex n ASN 20 N -2.77 1.62 -4.44 1.62 3.02 -0.17 -4.95 115.26 109.19 1fex n ASN 20 Ca -0.07 0.26 -0.54 0.00 -0.03 0.00 0.00 54.58 54.21 1fex n ASN 20 Cb 0.73 -0.61 -0.08 0.00 -0.61 0.00 0.00 39.78 39.21 1fex n ASN 20 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1fex n ALA 21 N -4.11 0.65 -2.12 5.41 0.00 0.14 -4.73 120.51 115.75 1fex n ALA 21 Ca -0.16 0.08 -0.02 0.00 0.00 0.00 0.00 53.44 53.34 1fex n ALA 21 Cb 0.45 -2.38 -0.03 0.00 0.00 0.00 0.00 19.45 17.49 1fex n ALA 21 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1fex n ARG 22 N 7.53 0.00 -3.57 0.00 0.00 -1.26 -4.81 116.66 114.54 1fex n ARG 22 Ca 0.42 -1.07 -0.07 0.00 -0.00 0.00 0.00 57.85 57.13 1fex n ARG 22 Cb 0.15 0.21 -0.02 0.00 0.00 0.00 0.00 32.46 32.79 1fex n ARG 22 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 1fex s SER 23 N -1.07 -0.31 -1.05 6.15 1.04 -1.26 -5.04 113.70 112.16 1fex s SER 23 Ca 0.08 -0.11 -0.13 0.00 0.48 0.00 0.00 55.95 56.27 1fex s SER 23 Cb 0.10 0.40 -0.08 0.00 0.10 0.00 0.00 66.02 66.54 1fex s SER 23 CO -0.04 -0.68 2.17 -0.81 0.98 0.00 0.00 173.24 174.86 1fex n PRO 24 N -0.30 2.21 0.00 4.02 -0.04 -1.26 -3.27 135.00 136.36 1fex n PRO 24 Ca -0.08 -1.88 0.00 0.00 -0.04 0.00 0.00 63.50 61.50 1fex n PRO 24 Cb 0.61 -2.80 0.00 0.00 -0.04 0.00 0.00 33.50 31.27 1fex n PRO 24 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1fex n SER 25 N 5.60 0.00 -0.04 3.54 2.88 -1.26 -4.89 113.62 119.45 1fex n SER 25 Ca 0.52 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.93 1fex n SER 25 Cb 0.28 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.66 1fex n SER 25 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1fex h SER 26 N 0.00 0.32 1.03 -3.46 0.02 -1.91 0.27 113.55 109.82 1fex h SER 26 Ca 0.00 -0.51 -0.11 0.00 -0.84 0.00 0.00 61.79 60.33 1fex h SER 26 Cb 0.00 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 62.43 1fex h SER 26 CO 0.00 0.77 -1.02 -0.37 -1.14 0.00 0.00 176.83 175.07 1fex h VAL 27 N -0.12 0.47 0.00 2.27 -1.51 -1.94 -3.34 116.25 112.07 1fex h VAL 27 Ca 0.01 -1.80 -0.08 0.00 -1.23 0.00 0.00 66.70 63.60 1fex h VAL 27 Cb 0.69 2.03 -0.01 0.00 -2.13 0.00 0.00 31.29 31.87 1fex h VAL 27 CO 0.03 0.27 -1.13 0.00 -1.23 0.00 0.00 177.57 175.51 1fex h THR 28 N 0.00 0.26 -1.60 7.19 1.03 -1.86 -3.47 112.91 114.46 1fex h THR 28 Ca -0.08 -1.49 0.00 0.00 -0.01 0.00 0.00 66.41 64.82 1fex h THR 28 Cb 1.39 1.79 0.00 0.00 -1.07 0.00 0.00 68.15 70.26 1fex h THR 28 CO 0.04 0.15 0.00 0.61 -0.01 0.00 0.00 175.52 176.31 1fex n GLY 29 N 1.28 1.32 0.96 2.99 0.00 0.08 -5.00 105.19 106.82 1fex n GLY 29 Ca -0.04 -1.85 0.04 0.00 0.00 0.00 0.00 46.02 44.17 1fex n GLY 29 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1fex n ASN 30 N 0.00 1.08 -0.08 1.61 5.03 -1.26 -4.88 115.26 116.76 1fex n ASN 30 Ca 0.00 -2.53 -0.08 0.00 0.87 0.00 0.00 54.58 52.84 1fex n ASN 30 Cb 0.00 -0.34 -0.03 0.00 -1.02 0.00 0.00 39.78 38.38 1fex n ASN 30 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1fex n ALA 31 N -0.15 0.55 0.10 5.41 0.00 -1.26 -2.67 120.51 122.49 1fex n ALA 31 Ca 0.09 -0.48 0.19 0.00 0.00 0.00 0.00 53.44 53.24 1fex n ALA 31 Cb 0.91 -0.06 0.75 0.00 0.00 0.00 0.00 19.45 21.05 1fex n ALA 31 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1fex h LEU 32 N -1.00 0.00 0.12 0.00 5.85 -1.89 0.34 115.31 118.73 1fex h LEU 32 Ca -0.07 0.00 -0.22 0.00 0.84 0.00 0.00 57.88 58.43 1fex h LEU 32 Cb 0.69 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.73 1fex h LEU 32 CO -0.04 0.00 -1.06 -0.50 -0.34 0.00 0.00 178.44 176.50 1fex h TRP 33 N 0.00 0.46 -0.25 1.25 4.06 -1.80 -2.85 115.95 116.81 1fex h TRP 33 Ca 0.18 -0.34 -0.00 0.00 2.06 0.00 0.00 58.89 60.79 1fex h TRP 33 Cb 0.90 -0.02 -0.01 0.00 -1.00 0.00 0.00 29.16 29.03 1fex h TRP 33 CO 0.00 1.41 0.14 0.87 -3.56 0.00 0.00 178.44 177.31 1fex h LYS 34 N -0.39 0.35 -0.47 0.49 1.57 -0.91 -2.15 116.57 115.06 1fex h LYS 34 Ca -0.21 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.52 1fex h LYS 34 Cb 1.66 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 33.87 1fex h LYS 34 CO 0.09 0.30 0.27 0.00 -0.57 0.00 0.00 179.45 179.54 1fex h ALA 35 N 1.03 1.59 -0.85 3.86 0.00 -0.52 -1.67 119.26 122.71 1fex h ALA 35 Ca 0.09 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.95 1fex h ALA 35 Cb 0.05 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.60 1fex h ALA 35 CO -0.02 0.35 0.56 1.98 0.00 0.00 0.00 179.25 182.13 1fex h MET 36 N 0.65 1.08 0.00 0.00 -1.53 -1.14 0.23 114.93 114.22 1fex h MET 36 Ca 0.17 -0.06 -0.07 0.00 -3.44 0.00 0.00 59.70 56.30 1fex h MET 36 Cb 0.00 -0.24 -0.01 0.00 -0.55 0.00 0.00 31.60 30.80 1fex h MET 36 CO -0.03 0.71 -0.32 1.49 0.14 0.00 0.00 176.91 178.90 1fex h GLU 37 N 1.11 0.00 -0.62 0.39 4.22 -0.99 -2.24 114.58 116.45 1fex h GLU 37 Ca 0.32 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.76 1fex h GLU 37 Cb -0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.18 1fex h GLU 37 CO -0.08 0.32 0.00 1.63 -2.18 0.00 0.00 179.01 178.70 1fex n LYS 38 N -4.06 3.37 0.00 1.92 5.02 -0.21 -4.73 118.16 119.46 1fex n LYS 38 Ca -0.02 -2.75 0.00 0.00 -2.02 0.00 0.00 58.31 53.52 1fex n LYS 38 Cb 0.37 -1.75 0.00 0.00 -0.02 0.00 0.00 35.03 33.64 1fex n LYS 38 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1fex n SER 39 N 1.10 0.00 -3.30 4.39 7.64 0.66 -5.04 113.62 119.06 1fex n SER 39 Ca 0.24 0.00 -0.08 0.00 1.01 0.00 0.00 58.87 60.04 1fex n SER 39 Cb 0.78 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.92 1fex n SER 39 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1fex s SER 40 N -2.85 0.19 0.00 6.43 0.15 -0.90 -5.07 113.70 111.65 1fex s SER 40 Ca 0.00 -0.12 0.00 0.00 0.70 0.00 0.00 55.95 56.53 1fex s SER 40 Cb 0.00 1.19 0.00 0.00 -1.71 0.00 0.00 66.02 65.50 1fex s SER 40 CO 0.00 -0.33 0.00 -0.11 1.20 0.00 0.00 173.24 174.00 1fex n LEU 41 N 5.36 0.00 0.13 3.45 0.00 -1.25 -4.86 117.00 119.84 1fex n LEU 41 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.00 1fex n LEU 41 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.92 1fex n LEU 41 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.39 177.80 1fex n THR 42 N 0.00 0.00 -2.68 1.96 -1.04 -1.26 -5.07 114.28 106.19 1fex n THR 42 Ca 0.00 0.00 -0.05 0.00 -2.04 0.00 0.00 64.05 61.96 1fex n THR 42 Cb 0.00 -0.29 0.06 0.00 -1.82 0.00 0.00 70.33 68.28 1fex n THR 42 CO 0.00 0.00 0.00 1.67 -0.64 0.00 0.00 175.07 176.10 1fex n GLN 43 N -3.27 0.25 -3.51 -2.82 0.00 -1.26 -5.17 117.38 101.61 1fex n GLN 43 Ca 0.00 -0.93 -0.12 0.00 -0.00 0.00 0.00 57.00 55.95 1fex n GLN 43 Cb 0.00 -0.46 -0.03 0.00 0.00 0.00 0.00 30.24 29.75 1fex n GLN 43 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.06 176.05 1fex s HIS 44 N 0.32 -0.45 0.19 3.69 3.76 -1.26 -4.91 115.29 116.63 1fex s HIS 44 Ca 0.27 0.30 -0.20 0.00 -0.15 0.00 0.00 55.06 55.28 1fex s HIS 44 Cb 0.20 0.44 -0.08 0.00 1.11 0.00 0.00 32.58 34.25 1fex s HIS 44 CO -0.12 -0.76 0.70 -1.54 -0.85 0.00 0.00 174.74 172.17 1fex s SER 45 N -2.52 7.10 0.46 1.40 1.04 -1.26 -4.91 113.70 115.01 1fex s SER 45 Ca -0.00 1.41 0.24 0.00 0.48 0.00 0.00 55.95 58.07 1fex s SER 45 Cb -0.00 -2.42 1.25 0.00 0.10 0.00 0.00 66.02 64.95 1fex s SER 45 CO -0.09 0.10 1.85 4.11 0.98 0.00 0.00 173.24 180.19 1fex h TRP 46 N 3.75 0.35 0.50 5.02 5.08 -1.93 -2.07 115.95 126.65 1fex h TRP 46 Ca -0.48 0.01 -0.02 0.00 1.08 0.00 0.00 58.89 59.48 1fex h TRP 46 Cb 1.20 -0.11 0.00 0.00 -3.00 0.00 0.00 29.16 27.26 1fex h TRP 46 CO 0.64 0.07 -0.24 0.37 -1.28 0.00 0.00 178.44 178.01 1fex h GLN 47 N 0.24 -0.64 -0.42 0.12 4.15 -1.92 -0.65 115.11 115.99 1fex h GLN 47 Ca 0.49 0.04 0.12 0.00 0.77 0.00 0.00 58.65 60.07 1fex h GLN 47 Cb 1.49 0.15 -0.02 0.00 0.21 0.00 0.00 27.48 29.31 1fex h GLN 47 CO -0.13 -0.35 0.39 1.03 -1.93 0.00 0.00 178.83 177.83 1fex h SER 48 N -0.86 0.00 0.57 -0.69 0.87 -1.78 0.10 113.55 111.76 1fex h SER 48 Ca -0.07 0.00 -0.28 0.00 -1.23 0.00 0.00 61.79 60.21 1fex h SER 48 Cb 0.59 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.54 1fex h SER 48 CO 0.11 0.00 -1.36 -0.07 -0.53 0.00 0.00 176.83 174.98 1fex h LEU 49 N 0.00 0.38 -0.13 2.23 3.38 -1.25 -2.29 115.31 117.62 1fex h LEU 49 Ca 0.20 -0.45 -0.07 0.00 0.09 0.00 0.00 57.88 57.64 1fex h LEU 49 Cb 0.97 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.60 1fex h LEU 49 CO -0.00 1.37 -0.20 0.50 0.09 0.00 0.00 178.44 180.19 1fex h LYS 50 N 0.07 0.37 -0.30 1.13 3.11 0.70 -2.60 116.57 119.03 1fex h LYS 50 Ca -0.18 -0.22 -0.10 0.00 -2.81 0.00 0.00 60.65 57.35 1fex h LYS 50 Cb 1.98 0.02 -0.01 0.00 -1.00 0.00 0.00 32.23 33.22 1fex h LYS 50 CO 0.18 0.80 -0.21 0.22 -2.81 0.00 0.00 179.45 177.63 1fex h ASP 51 N -0.03 0.57 -0.49 4.20 3.58 -1.11 -2.67 116.42 120.47 1fex h ASP 51 Ca 0.01 -0.19 -0.03 0.00 0.42 0.00 0.00 57.03 57.25 1fex h ASP 51 Cb 0.77 -0.15 -0.03 0.00 1.72 0.00 0.00 39.33 41.64 1fex h ASP 51 CO 0.05 0.78 0.21 -0.09 -2.88 0.00 0.00 179.24 177.31 1fex h ARG 52 N 0.51 0.78 0.24 0.28 9.65 -1.36 0.84 114.38 125.31 1fex h ARG 52 Ca 0.08 -0.12 -0.01 0.00 -1.10 0.00 0.00 59.98 58.83 1fex h ARG 52 Cb 0.65 -0.14 0.00 0.00 -1.39 0.00 0.00 29.97 29.09 1fex h ARG 52 CO 0.05 0.64 -0.12 -0.92 2.80 0.00 0.00 179.97 182.42 1fex h TYR 53 N 0.77 -0.30 0.00 2.20 3.20 -1.10 -2.88 116.97 118.85 1fex h TYR 53 Ca 0.18 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.05 1fex h TYR 53 Cb 0.16 0.10 0.00 0.00 1.54 0.00 0.00 36.73 38.53 1fex h TYR 53 CO 0.01 -0.10 0.00 -0.07 -1.64 0.00 0.00 178.16 176.36 1fex h LEU 54 N -0.44 0.00 -0.11 2.82 3.38 -1.44 -0.93 115.31 118.59 1fex h LEU 54 Ca -0.03 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.95 1fex h LEU 54 Cb 0.33 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 1fex h LEU 54 CO 0.05 0.00 0.01 0.11 0.09 0.00 0.00 178.44 178.70 1fex h LYS 55 N 0.00 0.05 0.00 1.13 1.79 0.92 -3.42 116.57 117.04 1fex h LYS 55 Ca 0.00 -0.00 -0.12 0.00 -2.18 0.00 0.00 60.65 58.35 1fex h LYS 55 Cb 0.95 -0.01 -0.10 0.00 -1.58 0.00 0.00 32.23 31.49 1fex h LYS 55 CO 0.00 0.03 -0.11 -2.39 -1.08 0.00 0.00 179.45 175.90 1fex n HIS 56 N -5.10 -1.23 0.00 -1.35 1.44 -1.15 -5.05 115.22 102.77 1fex n HIS 56 Ca -0.05 -1.09 0.00 0.00 -2.01 0.00 0.00 57.72 54.58 1fex n HIS 56 Cb 0.07 1.23 0.00 0.00 0.12 0.00 0.00 29.99 31.40 1fex n HIS 56 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 1fex n LEU 57 N -0.72 0.00 -3.67 2.39 4.77 -0.68 -5.04 117.00 114.06 1fex n LEU 57 Ca -0.13 0.00 -0.28 0.00 -0.03 0.00 0.00 56.01 55.58 1fex n LEU 57 Cb 0.72 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.85 1fex n LEU 57 CO -0.09 -0.50 -0.08 -1.14 -1.33 0.00 0.00 177.39 174.25 1fex n ARG 58 N -2.49 -2.10 0.00 3.23 0.63 -0.44 -5.04 116.66 110.45 1fex n ARG 58 Ca 0.00 0.52 0.12 0.00 -0.92 0.00 0.00 57.85 57.57 1fex n ARG 58 Cb 0.00 -4.51 0.69 0.00 0.45 0.00 0.00 32.46 29.09 1fex n ARG 58 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53