#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 2.62 -0.26 1.61 5.12 -1.26 -5.07 116.66 119.42 1fex n ARG 2 Ca 0.00 -4.57 0.04 0.00 -1.93 0.00 0.00 57.85 51.39 1fex n ARG 2 Cb 0.00 -2.34 -0.01 0.00 -1.16 0.00 0.00 32.46 28.95 1fex n ARG 2 CO 0.00 0.00 0.00 1.51 -1.93 0.00 0.00 177.63 177.21 1fex n ILE 3 N 1.57 0.00 -4.26 0.55 3.06 -1.26 -4.90 119.36 114.12 1fex n ILE 3 Ca 0.25 0.00 -0.17 0.00 -2.50 0.00 0.00 62.75 60.32 1fex n ILE 3 Cb 0.37 -0.09 -0.11 0.00 0.54 0.00 0.00 39.64 40.36 1fex n ILE 3 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1fex s ALA 4 N -1.38 1.59 0.06 1.51 0.00 -1.26 -5.15 121.76 117.13 1fex s ALA 4 Ca 0.00 -1.40 0.08 0.00 0.00 0.00 0.00 51.96 50.63 1fex s ALA 4 Cb 0.00 -0.06 -0.03 0.00 0.00 0.00 0.00 23.12 23.03 1fex s ALA 4 CO 0.00 0.06 -0.18 -0.06 0.00 0.00 0.00 175.76 175.57 1fex s PHE 5 N -2.52 2.54 0.47 0.00 0.08 -1.26 -5.09 117.98 112.19 1fex s PHE 5 Ca 0.13 -0.26 0.05 0.00 0.12 0.00 0.00 56.93 56.97 1fex s PHE 5 Cb -0.03 -1.43 0.02 0.00 -0.57 0.00 0.00 43.02 41.02 1fex s PHE 5 CO 0.03 0.29 0.65 0.95 -0.10 0.00 0.00 175.22 177.03 1fex s THR 6 N -0.98 2.89 0.39 0.64 -4.23 -1.26 -4.93 115.64 108.16 1fex s THR 6 Ca 0.15 -0.87 0.08 0.00 -1.18 0.00 0.00 61.69 59.87 1fex s THR 6 Cb -0.10 -3.01 0.19 0.00 1.34 0.00 0.00 72.50 70.92 1fex s THR 6 CO 0.06 -0.00 1.95 0.44 -0.54 0.00 0.00 174.62 176.53 1fex h ASP 7 N 0.43 0.33 0.57 3.99 5.19 -2.00 -1.30 116.42 123.63 1fex h ASP 7 Ca -0.41 -0.05 -0.21 0.00 -0.62 0.00 0.00 57.03 55.75 1fex h ASP 7 Cb 1.29 -0.09 -0.01 0.00 0.18 0.00 0.00 39.33 40.70 1fex h ASP 7 CO 0.48 0.39 -0.92 0.00 -3.12 0.00 0.00 179.24 176.08 1fex h ALA 8 N 1.66 0.46 -0.12 3.45 0.00 -2.00 -3.09 119.26 119.62 1fex h ALA 8 Ca 0.08 -0.74 -0.20 0.00 0.00 0.00 0.00 54.91 54.05 1fex h ALA 8 Cb 0.24 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1fex h ALA 8 CO 0.01 0.92 -0.75 -0.44 0.00 0.00 0.00 179.25 178.99 1fex h ASP 9 N 0.12 0.69 -0.36 0.00 5.19 -1.82 -1.58 116.42 118.66 1fex h ASP 9 Ca -0.05 -0.45 -0.03 0.00 -0.62 0.00 0.00 57.03 55.88 1fex h ASP 9 Cb 1.56 -0.20 -0.02 0.00 0.18 0.00 0.00 39.33 40.85 1fex h ASP 9 CO 0.14 1.21 0.12 0.44 -3.12 0.00 0.00 179.24 178.04 1fex h ASP 10 N 0.40 0.52 -0.16 6.45 3.32 -1.30 -0.40 116.42 125.24 1fex h ASP 10 Ca -0.04 -0.20 -0.19 0.00 0.02 0.00 0.00 57.03 56.63 1fex h ASP 10 Cb 1.34 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.76 1fex h ASP 10 CO 0.14 0.58 -0.59 0.58 -1.72 0.00 0.00 179.24 178.23 1fex h VAL 11 N 0.43 1.29 -0.42 -1.35 2.07 -1.57 -1.84 116.25 114.86 1fex h VAL 11 Ca 0.12 -1.80 -0.02 0.00 0.82 0.00 0.00 66.70 65.82 1fex h VAL 11 Cb 0.24 1.73 -0.02 0.00 -1.52 0.00 0.00 31.29 31.72 1fex h VAL 11 CO -0.01 0.58 0.20 0.00 0.02 0.00 0.00 177.57 178.36 1fex h ALA 12 N 0.75 0.55 -0.56 1.67 0.00 -1.15 -0.40 119.26 120.12 1fex h ALA 12 Ca 0.00 -0.12 -0.10 0.00 0.00 0.00 0.00 54.91 54.69 1fex h ALA 12 Cb 1.18 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 1fex h ALA 12 CO 0.12 0.12 -0.05 0.82 0.00 0.00 0.00 179.25 180.26 1fex h ILE 13 N 0.54 1.26 0.63 0.00 2.04 -1.06 -1.94 117.51 118.98 1fex h ILE 13 Ca 0.14 -1.18 -0.03 0.00 1.00 0.00 0.00 64.86 64.79 1fex h ILE 13 Cb 0.13 0.88 0.01 0.00 -0.74 0.00 0.00 36.82 37.10 1fex h ILE 13 CO -0.02 0.42 -0.30 0.25 0.00 0.00 0.00 178.15 178.50 1fex h LEU 14 N 0.91 -0.71 -0.67 1.44 5.85 -1.00 -0.55 115.31 120.58 1fex h LEU 14 Ca 0.16 -0.02 0.11 0.00 0.84 0.00 0.00 57.88 58.96 1fex h LEU 14 Cb 0.59 0.18 -0.08 0.00 0.37 0.00 0.00 40.66 41.73 1fex h LEU 14 CO 0.04 -0.41 0.27 0.74 -0.34 0.00 0.00 178.44 178.74 1fex h THR 15 N -0.99 0.76 0.47 1.05 2.02 -1.07 0.69 112.91 115.83 1fex h THR 15 Ca -0.09 -0.16 -0.02 0.00 0.77 0.00 0.00 66.41 66.91 1fex h THR 15 Cb 0.69 0.26 0.00 0.00 -1.74 0.00 0.00 68.15 67.36 1fex h THR 15 CO 0.14 0.08 -0.23 0.22 0.37 0.00 0.00 175.52 176.11 1fex h TYR 16 N 0.46 -0.58 -0.05 3.16 5.03 -1.27 0.55 116.97 124.27 1fex h TYR 16 Ca 0.34 -0.01 0.01 0.00 2.58 0.00 0.00 58.73 61.65 1fex h TYR 16 Cb 0.44 0.19 -0.01 0.00 1.55 0.00 0.00 36.73 38.90 1fex h TYR 16 CO -0.16 -0.34 0.01 0.28 -1.32 0.00 0.00 178.16 176.63 1fex h VAL 17 N -0.68 0.98 -0.05 1.81 2.07 -0.59 -0.48 116.25 119.31 1fex h VAL 17 Ca -0.06 -0.01 0.02 0.00 0.82 0.00 0.00 66.70 67.46 1fex h VAL 17 Cb 0.51 0.94 -0.00 0.00 -1.52 0.00 0.00 31.29 31.22 1fex h VAL 17 CO 0.11 0.01 0.10 0.50 0.02 0.00 0.00 177.57 178.31 1fex h LYS 18 N 0.03 0.00 0.00 1.57 3.64 0.48 0.67 116.57 122.96 1fex h LYS 18 Ca 0.02 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.32 1fex h LYS 18 Cb 0.02 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.83 1fex h LYS 18 CO -0.03 0.00 -0.44 0.93 -2.27 0.00 0.00 179.45 177.64 1fex h GLU 19 N 0.00 0.00 0.00 1.90 4.39 0.48 -3.42 114.58 117.93 1fex h GLU 19 Ca 0.03 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.67 1fex h GLU 19 Cb 0.23 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.88 1fex h GLU 19 CO -0.00 0.91 -0.60 -0.91 -1.16 0.00 0.00 179.01 177.25 1fex h ASN 20 N -1.00 0.00 -0.92 1.42 2.35 -0.79 -3.45 115.58 113.18 1fex h ASN 20 Ca -0.12 -0.16 -0.64 0.00 -0.55 0.00 0.00 56.30 54.84 1fex h ASN 20 Cb 1.03 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.38 1fex h ASN 20 CO -0.07 0.90 1.47 0.00 -1.65 0.00 0.00 177.43 178.08 1fex n ALA 21 N -3.44 0.89 0.00 -0.83 0.00 0.23 -4.54 120.51 112.82 1fex n ALA 21 Ca -0.12 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.16 1fex n ALA 21 Cb 0.34 -2.55 0.00 0.00 0.00 0.00 0.00 19.45 17.24 1fex n ALA 21 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1fex n ARG 22 N 8.26 0.00 -1.77 0.00 5.12 -1.26 -4.63 116.66 122.38 1fex n ARG 22 Ca 0.45 0.00 -0.31 0.00 -1.93 0.00 0.00 57.85 56.06 1fex n ARG 22 Cb 0.22 -0.12 0.03 0.00 -1.16 0.00 0.00 32.46 31.43 1fex n ARG 22 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 1fex s SER 23 N -3.53 5.78 -1.08 0.55 1.04 -1.26 -4.91 113.70 110.29 1fex s SER 23 Ca 0.00 1.43 -0.19 0.00 0.48 0.00 0.00 55.95 57.67 1fex s SER 23 Cb 0.00 -2.38 -0.07 0.00 0.10 0.00 0.00 66.02 63.67 1fex s SER 23 CO 0.00 -1.16 2.05 -0.81 0.98 0.00 0.00 173.24 174.29 1fex n PRO 24 N -2.93 2.10 0.00 4.02 -0.04 -1.26 -3.55 135.00 133.33 1fex n PRO 24 Ca 0.07 -2.21 0.00 0.00 -0.04 0.00 0.00 63.50 61.32 1fex n PRO 24 Cb 0.54 -3.11 0.00 0.00 -0.04 0.00 0.00 33.50 30.90 1fex n PRO 24 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1fex n SER 25 N 7.14 0.00 0.04 3.54 3.41 -1.26 -4.93 113.62 121.56 1fex n SER 25 Ca 0.50 0.00 0.14 0.00 -0.26 0.00 0.00 58.87 59.26 1fex n SER 25 Cb 0.40 0.19 0.61 0.00 -0.26 0.00 0.00 64.21 65.16 1fex n SER 25 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1fex h SER 26 N 0.00 0.12 -0.56 4.04 0.02 -1.96 0.71 113.55 115.93 1fex h SER 26 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1fex h SER 26 Cb 0.00 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.52 1fex h SER 26 CO 0.00 0.08 0.00 1.33 -1.14 0.00 0.00 176.83 177.10 1fex n VAL 27 N -4.45 1.96 -2.06 2.27 0.24 -1.26 -4.02 118.33 111.01 1fex n VAL 27 Ca 0.06 -1.13 -0.01 0.00 -2.04 0.00 0.00 64.34 61.23 1fex n VAL 27 Cb 0.39 -0.07 -0.01 0.00 -1.47 0.00 0.00 33.84 32.67 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 0.83 0.00 -0.75 3.34 -1.04 0.07 -4.89 114.28 111.83 1fex n THR 28 Ca 0.24 -0.12 0.00 0.00 -2.04 0.00 0.00 64.05 62.13 1fex n THR 28 Cb 0.92 0.35 0.00 0.00 -1.82 0.00 0.00 70.33 69.78 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 0.06 -1.35 2.08 3.41 0.00 -0.19 -4.96 105.19 104.24 1fex n GLY 29 Ca -0.05 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.11 -3.71 -0.07 1.61 3.02 -1.26 -4.82 115.26 109.92 1fex n ASN 30 Ca 0.00 0.34 -0.05 0.00 -0.03 0.00 0.00 54.58 54.84 1fex n ASN 30 Cb 0.42 -3.43 -0.02 0.00 -0.61 0.00 0.00 39.78 36.14 1fex n ASN 30 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1fex n ALA 31 N 0.53 0.50 0.01 5.41 0.00 -1.26 -2.75 120.51 122.95 1fex n ALA 31 Ca -0.14 -0.48 0.21 0.00 0.00 0.00 0.00 53.44 53.03 1fex n ALA 31 Cb 0.46 0.02 0.71 0.00 0.00 0.00 0.00 19.45 20.64 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 -0.94 0.00 0.07 0.00 5.85 -1.88 0.30 115.31 118.72 1fex h LEU 32 Ca 0.00 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.62 1fex h LEU 32 Cb 0.57 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.61 1fex h LEU 32 CO 0.00 0.00 -0.45 -0.50 -0.34 0.00 0.00 178.44 177.15 1fex h TRP 33 N 0.00 0.32 -0.33 1.25 4.06 -1.81 -2.81 115.95 116.63 1fex h TRP 33 Ca 0.25 -0.23 0.02 0.00 2.06 0.00 0.00 58.89 60.99 1fex h TRP 33 Cb 1.07 -0.02 -0.02 0.00 -1.00 0.00 0.00 29.16 29.20 1fex h TRP 33 CO 0.00 1.16 0.19 0.87 -3.56 0.00 0.00 178.44 177.10 1fex h LYS 34 N -0.61 0.38 -0.23 0.49 1.57 -0.97 -1.86 116.57 115.34 1fex h LYS 34 Ca -0.08 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.66 1fex h LYS 34 Cb 1.34 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.55 1fex h LYS 34 CO 0.09 0.25 0.03 0.00 -0.57 0.00 0.00 179.45 179.24 1fex h ALA 35 N 1.15 1.63 0.45 3.86 0.00 -0.58 -2.46 119.26 123.32 1fex h ALA 35 Ca 0.13 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1fex h ALA 35 Cb 0.01 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1fex h ALA 35 CO -0.07 0.28 -0.21 1.98 0.00 0.00 0.00 179.25 181.23 1fex h MET 36 N 0.32 -0.58 -0.11 0.00 1.85 -1.07 0.89 114.93 116.23 1fex h MET 36 Ca 0.08 0.04 0.03 0.00 -0.61 0.00 0.00 59.70 59.24 1fex h MET 36 Cb 0.17 0.13 -0.00 0.00 0.43 0.00 0.00 31.60 32.33 1fex h MET 36 CO 0.00 -0.28 0.13 1.49 -0.40 0.00 0.00 176.91 177.85 1fex h GLU 37 N -0.83 0.00 0.00 0.39 4.22 -1.28 -1.00 114.58 116.07 1fex h GLU 37 Ca -0.06 0.00 -0.01 0.00 0.08 0.00 0.00 59.36 59.37 1fex h GLU 37 Cb 0.56 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.81 1fex h GLU 37 CO 0.10 0.00 -1.65 1.63 -2.18 0.00 0.00 179.01 176.91 1fex n LYS 38 N -3.78 0.64 0.00 1.92 4.76 -0.94 -4.61 118.16 116.15 1fex n LYS 38 Ca -0.00 -0.08 0.00 0.00 -2.87 0.00 0.00 58.31 55.36 1fex n LYS 38 Cb 0.23 -1.63 0.00 0.00 -1.84 0.00 0.00 35.03 31.79 1fex n LYS 38 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 1fex n SER 39 N -2.42 0.00 -3.41 4.39 7.64 0.31 -4.97 113.62 115.16 1fex n SER 39 Ca -0.03 0.12 -0.19 0.00 1.01 0.00 0.00 58.87 59.78 1fex n SER 39 Cb 0.57 -0.25 -0.10 0.00 -1.01 0.00 0.00 64.21 63.42 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 -2.27 1.84 0.17 6.43 0.15 -0.73 -5.06 113.70 114.23 1fex s SER 40 Ca 0.00 -1.04 -0.19 0.00 0.70 0.00 0.00 55.95 55.42 1fex s SER 40 Cb 0.00 0.38 0.04 0.00 -1.71 0.00 0.00 66.02 64.73 1fex s SER 40 CO 0.00 -0.37 0.53 -0.22 1.20 0.00 0.00 173.24 174.38 1fex s LEU 41 N 2.09 -0.05 0.00 3.45 2.96 -1.24 -4.83 118.68 121.07 1fex s LEU 41 Ca 0.11 -0.31 -0.01 0.00 -0.22 0.00 0.00 54.13 53.71 1fex s LEU 41 Cb -0.15 2.23 0.01 0.00 0.50 0.00 0.00 46.19 48.78 1fex s LEU 41 CO -0.26 -1.00 0.05 0.35 -1.32 0.00 0.00 176.35 174.17 1fex n THR 42 N -0.33 0.00 -2.08 3.68 -2.24 -1.26 -4.85 114.28 107.20 1fex n THR 42 Ca -0.13 -0.03 -0.28 0.00 -2.27 0.00 0.00 64.05 61.34 1fex n THR 42 Cb 0.63 -1.74 -0.05 0.00 -2.10 0.00 0.00 70.33 67.06 1fex n THR 42 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1fex s GLN 43 N -3.10 2.58 0.19 -0.78 -0.21 -1.26 -4.86 119.66 112.21 1fex s GLN 43 Ca 0.03 -0.81 -0.08 0.00 0.02 0.00 0.00 55.36 54.52 1fex s GLN 43 Cb -0.00 -5.17 -0.02 0.00 1.00 0.00 0.00 33.01 28.82 1fex s GLN 43 CO 0.02 -3.65 0.29 -1.01 -2.12 0.00 0.00 175.29 168.82 1fex s HIS 44 N 10.34 0.56 -0.12 0.91 3.76 -1.26 -5.05 115.29 124.43 1fex s HIS 44 Ca 0.68 -0.90 -0.05 0.00 -0.15 0.00 0.00 55.06 54.64 1fex s HIS 44 Cb -0.03 -0.11 -0.04 0.00 1.11 0.00 0.00 32.58 33.51 1fex s HIS 44 CO 0.07 -0.77 0.07 -1.54 -0.85 0.00 0.00 174.74 171.72 1fex s SER 45 N -3.02 5.83 0.51 1.40 1.04 -1.26 -4.93 113.70 113.26 1fex s SER 45 Ca 0.23 0.28 0.31 0.00 0.48 0.00 0.00 55.95 57.25 1fex s SER 45 Cb 0.03 -1.83 1.44 0.00 0.10 0.00 0.00 66.02 65.76 1fex s SER 45 CO 0.05 0.36 1.82 4.11 0.98 0.00 0.00 173.24 180.56 1fex h TRP 46 N 5.36 0.14 -0.03 5.02 5.08 -1.93 0.11 115.95 129.70 1fex h TRP 46 Ca -0.50 0.00 -0.24 0.00 1.08 0.00 0.00 58.89 59.24 1fex h TRP 46 Cb 1.20 -0.04 0.01 0.00 -3.00 0.00 0.00 29.16 27.33 1fex h TRP 46 CO 0.67 0.01 -0.93 0.37 -1.28 0.00 0.00 178.44 177.29 1fex h GLN 47 N 0.08 0.58 -0.72 0.12 4.15 -1.93 -1.64 115.11 115.75 1fex h GLN 47 Ca 0.53 -0.58 0.05 0.00 0.77 0.00 0.00 58.65 59.43 1fex h GLN 47 Cb 1.94 0.15 -0.05 0.00 0.21 0.00 0.00 27.48 29.72 1fex h GLN 47 CO -0.07 1.19 0.42 1.03 -1.93 0.00 0.00 178.83 179.48 1fex h SER 48 N 0.35 0.65 1.53 -0.69 0.87 -1.14 0.80 113.55 115.91 1fex h SER 48 Ca -0.09 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.49 1fex h SER 48 Cb 1.56 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 63.41 1fex h SER 48 CO 0.17 0.42 -0.45 0.17 -0.53 0.00 0.00 176.83 176.62 1fex h LEU 49 N 0.78 0.00 0.01 2.23 -0.00 -1.58 -3.06 115.31 113.69 1fex h LEU 49 Ca 0.31 -0.00 -0.27 0.00 -0.00 0.00 0.00 57.88 57.92 1fex h LEU 49 Cb 0.15 0.00 0.02 0.00 -0.00 0.00 0.00 40.66 40.83 1fex h LEU 49 CO -0.17 0.00 -1.06 0.50 -0.00 0.00 0.00 178.44 177.72 1fex h LYS 50 N 0.00 0.70 -0.11 0.17 3.11 -0.41 -2.99 116.57 117.04 1fex h LYS 50 Ca 0.00 -0.77 -0.06 0.00 -2.81 0.00 0.00 60.65 57.01 1fex h LYS 50 Cb 0.99 0.22 -0.00 0.00 -1.00 0.00 0.00 32.23 32.44 1fex h LYS 50 CO 0.00 1.33 -0.17 0.22 -2.81 0.00 0.00 179.45 178.02 1fex h ASP 51 N 0.39 0.35 -0.79 4.20 3.58 -0.97 -3.12 116.42 120.06 1fex h ASP 51 Ca -0.13 -0.53 0.09 0.00 0.42 0.00 0.00 57.03 56.88 1fex h ASP 51 Cb 1.71 -0.10 -0.05 0.00 1.72 0.00 0.00 39.33 42.61 1fex h ASP 51 CO 0.21 0.81 0.52 -0.09 -2.88 0.00 0.00 179.24 177.80 1fex h ARG 52 N -0.10 0.72 0.00 0.28 1.12 -1.63 0.17 114.38 114.93 1fex h ARG 52 Ca 0.01 -0.04 0.00 0.00 -1.11 0.00 0.00 59.98 58.84 1fex h ARG 52 Cb 0.73 -0.16 0.00 0.00 -0.01 0.00 0.00 29.97 30.53 1fex h ARG 52 CO 0.04 0.48 0.00 0.98 -3.11 0.00 0.00 179.97 178.35 1fex n TYR 53 N -4.50 0.00 0.23 2.20 9.36 -1.13 -2.38 117.16 120.94 1fex n TYR 53 Ca 0.13 0.00 0.16 0.00 3.32 0.00 0.00 57.90 61.51 1fex n TYR 53 Cb 0.31 -0.50 0.85 0.00 -0.63 0.00 0.00 39.34 39.37 1fex n TYR 53 CO 0.00 0.00 0.00 1.37 0.22 0.00 0.00 176.86 178.45 1fex h LEU 54 N 0.00 0.00 -0.18 2.98 8.10 -1.48 0.48 115.31 125.21 1fex h LEU 54 Ca 0.00 0.00 -0.10 0.00 0.11 0.00 0.00 57.88 57.89 1fex h LEU 54 Cb 0.00 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 40.22 1fex h LEU 54 CO 0.00 0.00 -0.27 0.11 -4.11 0.00 0.00 178.44 174.17 1fex h LYS 55 N 0.00 0.50 -0.02 0.17 1.79 -0.38 -3.42 116.57 115.21 1fex h LYS 55 Ca 0.00 -0.30 -0.16 0.00 -2.18 0.00 0.00 60.65 58.02 1fex h LYS 55 Cb 0.00 0.03 -0.16 0.00 -1.58 0.00 0.00 32.23 30.52 1fex h LYS 55 CO 0.00 0.89 -0.34 -2.39 -1.08 0.00 0.00 179.45 176.53 1fex n HIS 56 N -4.39 -0.97 0.00 -1.35 1.44 -0.98 -4.98 115.22 104.00 1fex n HIS 56 Ca -0.06 -1.17 0.00 0.00 -2.01 0.00 0.00 57.72 54.48 1fex n HIS 56 Cb 0.45 0.97 0.00 0.00 0.12 0.00 0.00 29.99 31.53 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 -0.77 0.00 -4.60 2.39 4.77 0.15 -5.02 117.00 113.93 1fex n LEU 57 Ca -0.20 0.01 -0.43 0.00 -0.03 0.00 0.00 56.01 55.36 1fex n LEU 57 Cb 0.81 0.01 -0.03 0.00 -2.33 0.00 0.00 43.42 41.88 1fex n LEU 57 CO -0.14 -0.40 1.85 -0.60 -1.33 0.00 0.00 177.39 176.77 1fex s ARG 58 N -2.00 3.12 0.00 3.23 3.52 -0.23 -4.98 118.95 121.60 1fex s ARG 58 Ca 0.00 2.01 0.00 0.00 -0.13 0.00 0.00 55.73 57.61 1fex s ARG 58 Cb 0.00 -4.37 0.00 0.00 -1.56 0.00 0.00 34.95 29.02 1fex s ARG 58 CO 0.00 -2.12 0.00 0.41 -0.81 0.00 0.00 175.30 172.78