#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fex s ARG 2 N 0.00 -1.13 0.73 1.61 0.52 -1.26 -4.95 118.95 114.47 1fex s ARG 2 Ca 0.00 0.42 -0.15 0.00 -0.52 0.00 0.00 55.73 55.48 1fex s ARG 2 Cb 0.00 -1.56 0.04 0.00 0.52 0.00 0.00 34.95 33.95 1fex s ARG 2 CO 0.00 -3.76 1.21 -1.50 0.02 0.00 0.00 175.30 171.27 1fex s ILE 3 N -2.65 2.27 0.27 1.52 2.07 -1.26 -5.02 121.20 118.41 1fex s ILE 3 Ca 0.68 0.13 0.05 0.00 -1.41 0.00 0.00 60.65 60.11 1fex s ILE 3 Cb -0.18 -2.71 -0.03 0.00 0.13 0.00 0.00 42.46 39.67 1fex s ILE 3 CO 0.60 -0.07 0.40 0.00 -1.91 0.00 0.00 174.94 173.96 1fex s ALA 4 N -1.97 3.98 -0.12 1.50 0.00 -1.26 -5.11 121.76 118.79 1fex s ALA 4 Ca 0.75 -1.26 0.02 0.00 0.00 0.00 0.00 51.96 51.47 1fex s ALA 4 Cb -0.29 -1.75 -0.00 0.00 0.00 0.00 0.00 23.12 21.08 1fex s ALA 4 CO 0.45 0.16 -0.20 -0.06 0.00 0.00 0.00 175.76 176.11 1fex s PHE 5 N -2.05 2.66 0.21 0.00 0.08 -1.26 -5.10 117.98 112.52 1fex s PHE 5 Ca 0.37 -0.97 0.03 0.00 0.12 0.00 0.00 56.93 56.47 1fex s PHE 5 Cb -0.09 -1.77 0.03 0.00 -0.57 0.00 0.00 43.02 40.62 1fex s PHE 5 CO 0.30 -0.39 0.23 0.25 -0.10 0.00 0.00 175.22 175.51 1fex n THR 6 N 3.63 0.00 -0.16 0.64 -2.24 -1.26 -4.97 114.28 109.91 1fex n THR 6 Ca -0.19 -0.74 -0.10 0.00 -2.27 0.00 0.00 64.05 60.75 1fex n THR 6 Cb 0.53 -0.63 -0.00 0.00 -2.10 0.00 0.00 70.33 68.13 1fex n THR 6 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1fex h ASP 7 N 0.12 0.77 -0.91 3.42 3.32 -2.00 -2.81 116.42 118.32 1fex h ASP 7 Ca -0.11 -0.30 0.00 0.00 0.02 0.00 0.00 57.03 56.65 1fex h ASP 7 Cb 0.46 -0.21 -0.04 0.00 0.22 0.00 0.00 39.33 39.76 1fex h ASP 7 CO 0.16 0.88 0.58 0.00 -1.72 0.00 0.00 179.24 179.14 1fex h ALA 8 N 0.92 1.31 -0.53 3.45 0.00 -2.01 -2.58 119.26 119.82 1fex h ALA 8 Ca 0.13 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1fex h ALA 8 Cb 0.47 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1fex h ALA 8 CO 0.02 0.62 0.20 -0.44 0.00 0.00 0.00 179.25 179.65 1fex h ASP 9 N 1.25 0.73 -0.46 0.00 5.19 -1.90 -2.62 116.42 118.61 1fex h ASP 9 Ca 0.33 -0.18 0.01 0.00 -0.62 0.00 0.00 57.03 56.57 1fex h ASP 9 Cb -0.10 -0.19 -0.03 0.00 0.18 0.00 0.00 39.33 39.19 1fex h ASP 9 CO -0.07 0.71 0.29 0.44 -3.12 0.00 0.00 179.24 177.49 1fex h ASP 10 N 0.71 0.50 0.34 6.45 3.32 -1.22 -0.25 116.42 126.27 1fex h ASP 10 Ca 0.17 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.20 1fex h ASP 10 Cb 0.21 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 39.64 1fex h ASP 10 CO -0.01 0.36 -0.21 0.58 -1.72 0.00 0.00 179.24 178.24 1fex h VAL 11 N 0.59 0.57 0.34 -1.35 2.07 -1.34 0.41 116.25 117.54 1fex h VAL 11 Ca 0.17 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.68 1fex h VAL 11 Cb -0.04 0.57 0.00 0.00 -1.52 0.00 0.00 31.29 30.30 1fex h VAL 11 CO -0.05 0.00 -0.16 0.00 0.02 0.00 0.00 177.57 177.38 1fex h ALA 12 N 0.11 -0.45 -0.23 1.67 0.00 -1.34 0.25 119.26 119.27 1fex h ALA 12 Ca -0.04 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 1fex h ALA 12 Cb 0.43 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1fex h ALA 12 CO 0.04 -0.75 0.02 0.82 0.00 0.00 0.00 179.25 179.38 1fex h ILE 13 N -0.45 1.13 0.37 0.00 2.04 -1.00 -1.41 117.51 118.20 1fex h ILE 13 Ca -0.05 -0.49 -0.02 0.00 1.00 0.00 0.00 64.86 65.31 1fex h ILE 13 Cb 0.35 0.94 0.00 0.00 -0.74 0.00 0.00 36.82 37.37 1fex h ILE 13 CO 0.08 0.17 -0.18 0.25 0.00 0.00 0.00 178.15 178.46 1fex h LEU 14 N 0.32 -0.42 -0.77 1.44 5.85 0.21 -2.55 115.31 119.39 1fex h LEU 14 Ca 0.08 0.01 0.13 0.00 0.84 0.00 0.00 57.88 58.94 1fex h LEU 14 Cb 0.18 0.11 -0.09 0.00 0.37 0.00 0.00 40.66 41.23 1fex h LEU 14 CO 0.00 -0.07 0.36 0.74 -0.34 0.00 0.00 178.44 179.13 1fex h THR 15 N -0.96 0.73 -0.67 1.05 2.02 -0.94 -0.17 112.91 113.97 1fex h THR 15 Ca -0.05 -0.19 0.03 0.00 0.77 0.00 0.00 66.41 66.97 1fex h THR 15 Cb 0.38 0.14 -0.04 0.00 -1.74 0.00 0.00 68.15 66.89 1fex h THR 15 CO 0.08 0.10 0.42 0.22 0.37 0.00 0.00 175.52 176.71 1fex h TYR 16 N 0.54 0.78 0.06 3.16 5.03 -1.34 0.34 116.97 125.54 1fex h TYR 16 Ca 0.41 0.02 -0.00 0.00 2.58 0.00 0.00 58.73 61.74 1fex h TYR 16 Cb 0.57 -0.25 0.00 0.00 1.55 0.00 0.00 36.73 38.60 1fex h TYR 16 CO -0.13 0.44 -0.03 0.28 -1.32 0.00 0.00 178.16 177.41 1fex h VAL 17 N 0.82 1.15 0.00 1.81 2.07 -0.74 -2.69 116.25 118.67 1fex h VAL 17 Ca 0.27 -0.71 0.00 0.00 0.82 0.00 0.00 66.70 67.08 1fex h VAL 17 Cb 0.02 1.62 0.00 0.00 -1.52 0.00 0.00 31.29 31.41 1fex h VAL 17 CO -0.11 0.18 0.00 0.50 0.02 0.00 0.00 177.57 178.16 1fex h LYS 18 N -0.39 0.00 0.00 1.57 3.64 -0.85 0.90 116.57 121.44 1fex h LYS 18 Ca -0.01 0.00 -0.18 0.00 -1.27 0.00 0.00 60.65 59.19 1fex h LYS 18 Cb 0.35 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.14 1fex h LYS 18 CO 0.01 0.00 -0.95 0.93 -2.27 0.00 0.00 179.45 177.18 1fex h GLU 19 N 0.00 0.00 0.00 1.90 5.08 -0.08 -3.42 114.58 118.06 1fex h GLU 19 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1fex h GLU 19 Cb 0.36 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.61 1fex h GLU 19 CO 0.00 0.75 -0.80 0.09 -1.00 0.00 0.00 179.01 178.05 1fex n ASN 20 N -3.25 1.15 -4.19 1.42 3.02 -1.04 -4.89 115.26 107.48 1fex n ASN 20 Ca -0.02 0.00 -0.33 0.00 -0.03 0.00 0.00 54.58 54.21 1fex n ASN 20 Cb 0.88 0.00 -0.07 0.00 -0.61 0.00 0.00 39.78 39.98 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 -2.68 1.96 -1.52 5.41 0.00 0.31 -4.53 120.51 119.45 1fex n ALA 21 Ca 0.00 -2.98 0.04 0.00 0.00 0.00 0.00 53.44 50.50 1fex n ALA 21 Cb 0.40 -3.54 0.20 0.00 0.00 0.00 0.00 19.45 16.52 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 7.86 1.64 -3.77 0.00 0.00 -1.26 -4.58 116.66 116.55 1fex n ARG 22 Ca 0.46 -3.23 -0.10 0.00 -0.00 0.00 0.00 57.85 54.99 1fex n ARG 22 Cb 0.44 -1.65 -0.06 0.00 0.00 0.00 0.00 32.46 31.19 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 -3.05 -0.08 -1.06 6.15 1.04 -1.26 -5.04 113.70 110.40 1fex s SER 23 Ca 0.39 -0.53 -0.12 0.00 0.48 0.00 0.00 55.95 56.17 1fex s SER 23 Cb 0.37 0.43 -0.08 0.00 0.10 0.00 0.00 66.02 66.85 1fex s SER 23 CO -0.05 -0.84 2.20 -0.81 0.98 0.00 0.00 173.24 174.73 1fex n PRO 24 N -0.18 2.26 0.15 4.02 -0.04 -1.26 -3.58 135.00 136.37 1fex n PRO 24 Ca -0.14 -1.84 0.00 0.00 -0.04 0.00 0.00 63.50 61.48 1fex n PRO 24 Cb 0.63 -2.76 0.00 0.00 -0.04 0.00 0.00 33.50 31.33 1fex n PRO 24 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1fex n SER 25 N 5.34 -2.62 0.18 3.54 7.64 -1.26 -4.88 113.62 121.55 1fex n SER 25 Ca 0.52 0.61 0.06 0.00 1.01 0.00 0.00 58.87 61.07 1fex n SER 25 Cb 0.26 2.61 0.54 0.00 -1.01 0.00 0.00 64.21 66.61 1fex n SER 25 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1fex h SER 26 N 0.00 0.13 -0.51 6.43 0.02 -1.94 0.24 113.55 117.92 1fex h SER 26 Ca 0.00 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1fex h SER 26 Cb 0.00 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.51 1fex h SER 26 CO 0.00 0.15 0.00 1.33 -1.14 0.00 0.00 176.83 177.17 1fex n VAL 27 N -4.46 0.76 -2.08 2.27 0.24 -1.26 -3.96 118.33 109.84 1fex n VAL 27 Ca -0.01 -0.71 -0.05 0.00 -2.04 0.00 0.00 64.34 61.53 1fex n VAL 27 Cb 0.13 0.31 -0.05 0.00 -1.47 0.00 0.00 33.84 32.75 1fex n VAL 27 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 1fex n THR 28 N 0.98 0.00 -1.28 3.34 -1.04 -0.42 -4.91 114.28 110.94 1fex n THR 28 Ca 0.17 -0.16 0.00 0.00 -2.04 0.00 0.00 64.05 62.02 1fex n THR 28 Cb 0.46 0.55 0.00 0.00 -1.82 0.00 0.00 70.33 69.52 1fex n THR 28 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1fex n GLY 29 N 0.08 -1.74 2.14 3.41 0.00 0.71 -4.89 105.19 104.90 1fex n GLY 29 Ca -0.20 -0.01 -0.13 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.02 -3.62 -0.01 1.61 3.02 -1.26 -4.83 115.26 110.14 1fex n ASN 30 Ca 0.00 0.27 -0.01 0.00 -0.03 0.00 0.00 54.58 54.82 1fex n ASN 30 Cb 0.56 -3.28 -0.00 0.00 -0.61 0.00 0.00 39.78 36.44 1fex n ASN 30 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1fex h ALA 31 N 0.84 0.00 -0.26 5.41 0.00 -1.83 -3.04 119.26 120.38 1fex h ALA 31 Ca -0.28 -0.29 0.07 0.00 0.00 0.00 0.00 54.91 54.42 1fex h ALA 31 Cb 0.97 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 1fex h ALA 31 CO 0.38 0.08 0.22 1.25 0.00 0.00 0.00 179.25 181.18 1fex h LEU 32 N -0.16 0.00 0.11 0.00 5.85 -1.88 0.10 115.31 119.32 1fex h LEU 32 Ca 0.00 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 1fex h LEU 32 Cb 0.08 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.11 1fex h LEU 32 CO 0.00 0.00 -0.05 -0.50 -0.34 0.00 0.00 178.44 177.55 1fex h TRP 33 N 0.00 -0.14 -0.85 1.25 4.06 -1.78 -2.93 115.95 115.56 1fex h TRP 33 Ca 0.12 -0.00 0.04 0.00 2.06 0.00 0.00 58.89 61.11 1fex h TRP 33 Cb 0.56 0.05 -0.05 0.00 -1.00 0.00 0.00 29.16 28.71 1fex h TRP 33 CO 0.00 0.35 0.56 0.87 -3.56 0.00 0.00 178.44 176.66 1fex h LYS 34 N -0.86 1.00 -0.76 0.49 1.79 -1.30 -1.24 116.57 115.69 1fex h LYS 34 Ca -0.02 -0.06 0.05 0.00 -2.18 0.00 0.00 60.65 58.44 1fex h LYS 34 Cb 0.56 -0.23 -0.05 0.00 -1.58 0.00 0.00 32.23 30.93 1fex h LYS 34 CO 0.03 0.66 0.50 0.00 -1.08 0.00 0.00 179.45 179.56 1fex h ALA 35 N 1.51 1.61 -0.29 3.86 0.00 -1.03 -2.02 119.26 122.89 1fex h ALA 35 Ca 0.35 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.23 1fex h ALA 35 Cb 0.08 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1fex h ALA 35 CO -0.11 0.29 0.17 0.52 0.00 0.00 0.00 179.25 180.13 1fex h MET 36 N 0.87 0.40 -0.42 0.00 2.86 -1.03 -1.20 114.93 116.41 1fex h MET 36 Ca 0.32 -0.04 0.12 0.00 -2.06 0.00 0.00 59.70 58.04 1fex h MET 36 Cb 0.15 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 31.71 1fex h MET 36 CO -0.10 0.32 0.31 1.49 1.06 0.00 0.00 176.91 179.99 1fex h GLU 37 N 0.37 0.00 0.00 1.72 4.81 -1.28 0.58 114.58 120.78 1fex h GLU 37 Ca 0.10 0.00 -0.22 0.00 -0.13 0.00 0.00 59.36 59.11 1fex h GLU 37 Cb 0.02 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.37 1fex h GLU 37 CO -0.02 0.00 -1.13 -0.22 -0.73 0.00 0.00 179.01 176.91 1fex h LYS 38 N 0.00 0.00 -0.26 1.92 3.64 -1.12 -3.43 116.57 117.32 1fex h LYS 38 Ca 0.20 0.00 -0.18 0.00 -1.27 0.00 0.00 60.65 59.40 1fex h LYS 38 Cb 0.82 0.00 -0.14 0.00 -0.41 0.00 0.00 32.23 32.50 1fex h LYS 38 CO -0.00 0.84 -0.45 0.45 -2.27 0.00 0.00 179.45 178.02 1fex n SER 39 N -3.27 -2.90 -2.44 4.20 2.88 0.02 -5.12 113.62 106.98 1fex n SER 39 Ca -0.04 -3.04 -0.04 0.00 -1.33 0.00 0.00 58.87 54.42 1fex n SER 39 Cb 0.95 1.71 -0.00 0.00 -0.75 0.00 0.00 64.21 66.12 1fex n SER 39 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1fex n SER 40 N 2.00 1.51 -0.03 -3.46 3.41 0.18 -4.69 113.62 112.53 1fex n SER 40 Ca 0.11 -1.31 -0.04 0.00 -0.26 0.00 0.00 58.87 57.36 1fex n SER 40 Cb 0.62 0.01 -0.05 0.00 -0.26 0.00 0.00 64.21 64.53 1fex n SER 40 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 1fex n LEU 41 N 0.00 0.93 0.16 1.04 0.00 -1.26 -4.59 117.00 113.27 1fex n LEU 41 Ca -0.01 -0.01 0.12 0.00 0.00 0.00 0.00 56.01 56.11 1fex n LEU 41 Cb 0.10 0.02 0.21 0.00 0.00 0.00 0.00 43.42 43.75 1fex n LEU 41 CO 0.06 0.31 0.68 0.74 0.00 0.00 0.00 177.39 179.17 1fex h THR 42 N 0.00 0.00 -5.20 1.96 2.02 -1.95 -3.49 112.91 106.25 1fex h THR 42 Ca -0.18 -0.80 -0.00 0.00 0.77 0.00 0.00 66.41 66.20 1fex h THR 42 Cb 1.36 1.69 0.00 0.00 -1.74 0.00 0.00 68.15 69.46 1fex h THR 42 CO -0.00 0.00 -0.82 1.67 0.37 0.00 0.00 175.52 176.73 1fex n GLN 43 N -2.70 -3.11 -3.92 6.66 7.27 -1.26 -5.06 117.38 115.26 1fex n GLN 43 Ca 0.04 2.56 -0.09 0.00 0.07 0.00 0.00 57.00 59.57 1fex n GLN 43 Cb 0.49 -5.48 -0.06 0.00 2.41 0.00 0.00 30.24 27.61 1fex n GLN 43 CO 0.00 0.00 0.00 -1.01 0.07 0.00 0.00 177.06 176.12 1fex s HIS 44 N -1.98 0.28 0.01 3.69 3.76 -1.26 -5.14 115.29 114.65 1fex s HIS 44 Ca 0.09 -0.63 -0.28 0.00 -0.15 0.00 0.00 55.06 54.08 1fex s HIS 44 Cb -0.03 0.09 -0.04 0.00 1.11 0.00 0.00 32.58 33.72 1fex s HIS 44 CO 0.78 -0.82 0.91 -1.54 -0.85 0.00 0.00 174.74 173.22 1fex s SER 45 N -2.96 7.31 0.36 1.40 1.04 -1.26 -4.38 113.70 115.21 1fex s SER 45 Ca 0.17 1.58 0.14 0.00 0.48 0.00 0.00 55.95 58.32 1fex s SER 45 Cb 0.02 -2.54 1.01 0.00 0.10 0.00 0.00 66.02 64.61 1fex s SER 45 CO 0.01 -0.18 1.74 4.11 0.98 0.00 0.00 173.24 179.90 1fex h TRP 46 N 6.51 0.84 -0.96 5.02 5.08 -1.92 0.27 115.95 130.80 1fex h TRP 46 Ca -0.42 0.03 0.03 0.00 1.08 0.00 0.00 58.89 59.62 1fex h TRP 46 Cb 1.21 -0.24 -0.05 0.00 -3.00 0.00 0.00 29.16 27.08 1fex h TRP 46 CO 0.67 0.04 0.63 0.37 -1.28 0.00 0.00 178.44 178.87 1fex h GLN 47 N 0.47 1.19 0.00 0.12 4.15 -1.92 0.23 115.11 119.36 1fex h GLN 47 Ca 0.64 -0.07 -0.10 0.00 0.77 0.00 0.00 58.65 59.88 1fex h GLN 47 Cb 1.42 -0.27 -0.01 0.00 0.21 0.00 0.00 27.48 28.83 1fex h GLN 47 CO -0.40 0.79 -0.49 1.03 -1.93 0.00 0.00 178.83 177.82 1fex h SER 48 N 1.23 0.00 0.24 -0.69 0.87 -0.87 -1.72 113.55 112.61 1fex h SER 48 Ca 0.38 0.00 -0.32 0.00 -1.23 0.00 0.00 61.79 60.61 1fex h SER 48 Cb -0.02 0.00 0.03 0.00 -0.44 0.00 0.00 62.40 61.98 1fex h SER 48 CO -0.11 0.49 -1.40 -0.07 -0.53 0.00 0.00 176.83 175.20 1fex h LEU 49 N 0.00 0.84 -0.09 2.23 3.38 -0.45 -2.94 115.31 118.28 1fex h LEU 49 Ca -0.00 -0.86 -0.06 0.00 0.09 0.00 0.00 57.88 57.04 1fex h LEU 49 Cb 1.07 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.55 1fex h LEU 49 CO 0.06 1.67 -0.19 0.50 0.09 0.00 0.00 178.44 180.57 1fex h LYS 50 N 0.18 0.29 -0.52 1.13 3.11 -0.60 -2.94 116.57 117.24 1fex h LYS 50 Ca -0.23 -0.19 0.00 0.00 -2.81 0.00 0.00 60.65 57.42 1fex h LYS 50 Cb 2.09 0.02 -0.03 0.00 -1.00 0.00 0.00 32.23 33.32 1fex h LYS 50 CO 0.26 0.78 0.33 0.22 -2.81 0.00 0.00 179.45 178.24 1fex h ASP 51 N -0.16 0.60 -0.39 4.20 3.58 -1.44 -2.40 116.42 120.42 1fex h ASP 51 Ca 0.00 -0.02 -0.04 0.00 0.42 0.00 0.00 57.03 57.39 1fex h ASP 51 Cb 0.78 -0.15 -0.02 0.00 1.72 0.00 0.00 39.33 41.66 1fex h ASP 51 CO 0.04 0.45 0.07 -0.09 -2.88 0.00 0.00 179.24 176.83 1fex h ARG 52 N 0.70 0.63 -0.54 0.28 1.12 -1.49 0.70 114.38 115.78 1fex h ARG 52 Ca 0.19 -0.17 0.10 0.00 -1.11 0.00 0.00 59.98 58.99 1fex h ARG 52 Cb -0.06 -0.08 -0.03 0.00 -0.01 0.00 0.00 29.97 29.79 1fex h ARG 52 CO -0.04 0.68 0.37 -0.92 -3.11 0.00 0.00 179.97 176.95 1fex h TYR 53 N 0.48 0.34 0.03 2.20 3.20 -1.25 -1.93 116.97 120.05 1fex h TYR 53 Ca 0.12 0.01 -0.32 0.00 3.14 0.00 0.00 58.73 61.68 1fex h TYR 53 Cb 0.35 -0.11 -0.04 0.00 1.54 0.00 0.00 36.73 38.47 1fex h TYR 53 CO 0.02 0.17 -1.83 1.28 -1.64 0.00 0.00 178.16 176.16 1fex n LEU 54 N -4.46 1.33 0.06 2.82 4.77 -0.99 -1.50 117.00 119.03 1fex n LEU 54 Ca 0.09 0.34 -0.12 0.00 -0.03 0.00 0.00 56.01 56.28 1fex n LEU 54 Cb 0.38 -0.17 -0.06 0.00 -2.33 0.00 0.00 43.42 41.24 1fex n LEU 54 CO 0.34 0.52 0.63 0.11 -1.33 0.00 0.00 177.39 177.67 1fex h LYS 55 N 0.02 -0.49 0.00 3.23 1.79 0.12 -3.41 116.57 117.84 1fex h LYS 55 Ca -0.34 0.03 -0.19 0.00 -2.18 0.00 0.00 60.65 57.98 1fex h LYS 55 Cb 2.03 0.11 -0.14 0.00 -1.58 0.00 0.00 32.23 32.65 1fex h LYS 55 CO 0.08 -0.32 -0.23 -2.39 -1.08 0.00 0.00 179.45 175.50 1fex n HIS 56 N -5.43 -2.02 0.04 -1.35 1.44 -1.08 -5.03 115.22 101.79 1fex n HIS 56 Ca -0.05 -1.65 0.00 0.00 -2.01 0.00 0.00 57.72 54.00 1fex n HIS 56 Cb 0.34 1.51 0.00 0.00 0.12 0.00 0.00 29.99 31.96 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 -0.60 0.40 -4.56 2.39 4.77 -1.18 -4.98 117.00 113.24 1fex n LEU 57 Ca -0.08 0.11 -0.41 0.00 -0.03 0.00 0.00 56.01 55.60 1fex n LEU 57 Cb 0.81 -0.08 -0.04 0.00 -2.33 0.00 0.00 43.42 41.78 1fex n LEU 57 CO -0.09 -0.63 1.94 -1.14 -1.33 0.00 0.00 177.39 176.14 1fex n ARG 58 N -2.99 1.44 0.00 3.23 3.00 -0.56 -5.06 116.66 115.73 1fex n ARG 58 Ca 0.00 0.27 0.00 0.00 -0.00 0.00 0.00 57.85 58.12 1fex n ARG 58 Cb 0.00 -3.22 0.00 0.00 0.00 0.00 0.00 32.46 29.24 1fex n ARG 58 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04