#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 0.75 -2.09 1.61 1.85 -1.26 -5.11 116.66 112.41 1fex n ARG 2 Ca 0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 57.85 56.83 1fex n ARG 2 Cb 0.00 0.00 -0.01 0.00 -1.05 0.00 0.00 32.46 31.40 1fex n ARG 2 CO 0.00 0.00 0.00 0.44 -0.01 0.00 0.00 177.63 178.06 1fex n ILE 3 N -0.63 0.00 -1.81 8.89 -5.35 -1.26 -5.16 119.36 114.04 1fex n ILE 3 Ca 0.00 -0.19 -0.29 0.00 -0.27 0.00 0.00 62.75 62.00 1fex n ILE 3 Cb 0.00 0.10 0.10 0.00 -1.74 0.00 0.00 39.64 38.10 1fex n ILE 3 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1fex s ALA 4 N -2.02 2.45 0.40 -1.28 0.00 -1.26 -5.09 121.76 114.97 1fex s ALA 4 Ca 0.03 -0.61 0.08 0.00 0.00 0.00 0.00 51.96 51.46 1fex s ALA 4 Cb 0.00 -2.98 -0.04 0.00 0.00 0.00 0.00 23.12 20.11 1fex s ALA 4 CO 0.02 -1.81 0.27 -0.06 0.00 0.00 0.00 175.76 174.18 1fex s PHE 5 N -3.50 2.68 0.33 0.00 0.08 -1.26 -5.15 117.98 111.17 1fex s PHE 5 Ca 0.62 -0.51 0.02 0.00 0.12 0.00 0.00 56.93 57.19 1fex s PHE 5 Cb -0.12 -2.01 0.02 0.00 -0.57 0.00 0.00 43.02 40.34 1fex s PHE 5 CO 0.50 0.06 0.15 0.25 -0.10 0.00 0.00 175.22 176.08 1fex n THR 6 N -1.38 0.00 0.06 0.64 -2.24 -1.26 -5.00 114.28 105.10 1fex n THR 6 Ca 0.01 -1.42 -0.08 0.00 -2.27 0.00 0.00 64.05 60.29 1fex n THR 6 Cb 0.63 0.01 0.06 0.00 -2.10 0.00 0.00 70.33 68.93 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 0.56 0.39 -0.11 3.42 5.19 -2.01 -2.67 116.42 121.20 1fex h ASP 7 Ca -0.24 -0.24 -0.15 0.00 -0.62 0.00 0.00 57.03 55.77 1fex h ASP 7 Cb 0.79 -0.12 0.01 0.00 0.18 0.00 0.00 39.33 40.20 1fex h ASP 7 CO 0.38 0.95 -0.53 0.00 -3.12 0.00 0.00 179.24 176.92 1fex h ALA 8 N 1.04 0.21 -0.47 3.45 0.00 -2.00 -2.99 119.26 118.50 1fex h ALA 8 Ca -0.02 -0.52 -0.05 0.00 0.00 0.00 0.00 54.91 54.32 1fex h ALA 8 Cb 1.22 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 1fex h ALA 8 CO 0.11 0.41 0.07 -0.44 0.00 0.00 0.00 179.25 179.41 1fex h ASP 9 N 0.16 0.69 0.10 0.00 5.19 -1.96 -1.58 116.42 119.02 1fex h ASP 9 Ca -0.04 -0.13 -0.00 0.00 -0.62 0.00 0.00 57.03 56.24 1fex h ASP 9 Cb 1.18 -0.18 0.00 0.00 0.18 0.00 0.00 39.33 40.51 1fex h ASP 9 CO 0.11 0.71 -0.05 0.44 -3.12 0.00 0.00 179.24 177.33 1fex h ASP 10 N 0.70 -0.11 -0.26 6.45 3.32 -1.48 -1.97 116.42 123.07 1fex h ASP 10 Ca 0.15 -0.13 -0.04 0.00 0.02 0.00 0.00 57.03 57.03 1fex h ASP 10 Cb 0.33 0.03 -0.02 0.00 0.22 0.00 0.00 39.33 39.89 1fex h ASP 10 CO 0.01 0.06 0.05 0.58 -1.72 0.00 0.00 179.24 178.21 1fex h VAL 11 N -0.27 1.18 -0.09 -1.35 2.07 -1.39 -1.87 116.25 114.53 1fex h VAL 11 Ca -0.01 -0.69 -0.05 0.00 0.82 0.00 0.00 66.70 66.76 1fex h VAL 11 Cb 0.23 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 1fex h VAL 11 CO 0.02 0.24 -0.18 0.00 0.02 0.00 0.00 177.57 177.67 1fex h ALA 12 N 1.54 1.53 -0.06 1.67 0.00 -1.00 -1.29 119.26 121.65 1fex h ALA 12 Ca 0.12 -0.22 -0.23 0.00 0.00 0.00 0.00 54.91 54.58 1fex h ALA 12 Cb 0.27 -0.07 0.02 0.00 0.00 0.00 0.00 17.79 18.01 1fex h ALA 12 CO 0.00 0.34 -0.87 0.82 0.00 0.00 0.00 179.25 179.54 1fex h ILE 13 N 0.13 1.30 0.71 0.00 2.04 -0.58 -2.52 117.51 118.59 1fex h ILE 13 Ca 0.03 -2.10 -0.03 0.00 1.00 0.00 0.00 64.86 63.75 1fex h ILE 13 Cb 0.41 2.25 0.01 0.00 -0.74 0.00 0.00 36.82 38.75 1fex h ILE 13 CO 0.03 0.65 -0.34 0.25 0.00 0.00 0.00 178.15 178.74 1fex h LEU 14 N 0.38 -0.81 -0.81 1.44 5.85 -1.12 -1.27 115.31 118.97 1fex h LEU 14 Ca -0.09 0.02 0.15 0.00 0.84 0.00 0.00 57.88 58.80 1fex h LEU 14 Cb 1.53 0.21 -0.10 0.00 0.37 0.00 0.00 40.66 42.67 1fex h LEU 14 CO 0.18 -0.43 0.36 0.74 -0.34 0.00 0.00 178.44 178.94 1fex h THR 15 N -1.24 0.66 0.29 1.05 2.02 -1.37 0.19 112.91 114.51 1fex h THR 15 Ca -0.10 -0.17 -0.01 0.00 0.77 0.00 0.00 66.41 66.90 1fex h THR 15 Cb 0.74 0.11 0.00 0.00 -1.74 0.00 0.00 68.15 67.27 1fex h THR 15 CO 0.16 0.09 -0.14 0.22 0.37 0.00 0.00 175.52 176.22 1fex h TYR 16 N 0.50 -0.37 0.45 3.16 5.03 -1.43 -0.52 116.97 123.79 1fex h TYR 16 Ca 0.45 -0.01 -0.01 0.00 2.58 0.00 0.00 58.73 61.74 1fex h TYR 16 Cb 0.69 0.12 -0.01 0.00 1.55 0.00 0.00 36.73 39.09 1fex h TYR 16 CO -0.14 -0.14 -0.29 0.28 -1.32 0.00 0.00 178.16 176.56 1fex h VAL 17 N -0.54 0.40 -0.02 1.81 2.07 -0.51 -1.43 116.25 118.04 1fex h VAL 17 Ca -0.04 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.49 1fex h VAL 17 Cb 0.40 0.40 -0.00 0.00 -1.52 0.00 0.00 31.29 30.56 1fex h VAL 17 CO 0.07 0.00 0.10 0.50 0.02 0.00 0.00 177.57 178.26 1fex h LYS 18 N -0.71 0.00 0.00 1.57 1.63 -0.67 0.71 116.57 119.10 1fex h LYS 18 Ca -0.05 0.00 -0.05 0.00 -0.85 0.00 0.00 60.65 59.70 1fex h LYS 18 Cb 0.59 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.21 1fex h LYS 18 CO 0.04 0.00 -0.63 0.93 -3.45 0.00 0.00 179.45 176.34 1fex h GLU 19 N 0.00 0.00 0.00 1.90 4.39 -0.05 -3.42 114.58 117.40 1fex h GLU 19 Ca 0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.71 1fex h GLU 19 Cb 0.22 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.87 1fex h GLU 19 CO -0.00 0.16 -0.31 0.09 -1.16 0.00 0.00 179.01 177.79 1fex n ASN 20 N -2.97 0.41 0.00 1.42 3.02 -0.16 -5.00 115.26 111.97 1fex n ASN 20 Ca 0.00 0.14 0.00 0.00 -0.03 0.00 0.00 54.58 54.69 1fex n ASN 20 Cb 0.63 -0.06 0.00 0.00 -0.61 0.00 0.00 39.78 39.74 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 -3.21 0.00 -1.88 5.41 0.00 0.23 -4.72 120.51 116.34 1fex n ALA 21 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 1fex n ALA 21 Cb 0.16 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.58 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 0.00 -1.75 -3.68 0.00 5.12 -1.22 -4.86 116.66 110.26 1fex n ARG 22 Ca 0.00 0.62 -0.10 0.00 -1.93 0.00 0.00 57.85 56.44 1fex n ARG 22 Cb 0.00 -5.02 -0.04 0.00 -1.16 0.00 0.00 32.46 26.24 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 -2.00 -0.26 -1.34 0.55 1.04 -1.26 -5.04 113.70 105.39 1fex s SER 23 Ca 0.00 -0.39 -0.10 0.00 0.48 0.00 0.00 55.95 55.94 1fex s SER 23 Cb 0.00 0.53 -0.07 0.00 0.10 0.00 0.00 66.02 66.58 1fex s SER 23 CO 0.00 -0.95 2.56 -0.81 0.98 0.00 0.00 173.24 175.02 1fex n PRO 24 N -0.29 2.98 0.16 4.02 -0.04 -1.26 -3.90 135.00 136.68 1fex n PRO 24 Ca -0.13 -1.98 0.00 0.00 -0.04 0.00 0.00 63.50 61.35 1fex n PRO 24 Cb 0.63 -2.74 0.00 0.00 -0.04 0.00 0.00 33.50 31.35 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 4.22 -2.52 0.24 3.54 7.64 -1.26 -4.83 113.62 120.66 1fex n SER 25 Ca 0.64 0.62 -0.16 0.00 1.01 0.00 0.00 58.87 60.98 1fex n SER 25 Cb 0.22 2.47 -0.08 0.00 -1.01 0.00 0.00 64.21 65.81 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 -0.61 0.48 6.43 0.02 -1.90 0.74 113.55 118.71 1fex h SER 26 Ca 0.00 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 1fex h SER 26 Cb 0.00 0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.72 1fex h SER 26 CO 0.00 -0.39 0.00 -0.37 -1.14 0.00 0.00 176.83 174.93 1fex h VAL 27 N -0.62 0.00 0.00 2.27 -1.51 -1.94 -2.64 116.25 111.81 1fex h VAL 27 Ca -0.05 -0.24 -0.30 0.00 -1.23 0.00 0.00 66.70 64.89 1fex h VAL 27 Cb 0.51 1.22 -0.05 0.00 -2.13 0.00 0.00 31.29 30.83 1fex h VAL 27 CO 0.05 0.00 -1.85 0.41 -1.23 0.00 0.00 177.57 174.95 1fex n THR 28 N -3.05 1.54 -0.54 7.19 -1.04 -0.73 -4.93 114.28 112.72 1fex n THR 28 Ca -0.01 -0.81 0.00 0.00 -2.04 0.00 0.00 64.05 61.19 1fex n THR 28 Cb 0.18 -0.90 0.00 0.00 -1.82 0.00 0.00 70.33 67.79 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 1.59 1.49 0.80 3.41 0.00 0.25 -5.02 105.19 107.71 1fex n GLY 29 Ca -0.20 -1.72 0.01 0.00 0.00 0.00 0.00 46.02 44.11 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 0.22 -0.09 1.61 5.03 -1.26 -4.92 115.26 115.85 1fex n ASN 30 Ca 0.00 -1.89 -0.16 0.00 0.87 0.00 0.00 54.58 53.40 1fex n ASN 30 Cb 0.00 -0.18 -0.08 0.00 -1.02 0.00 0.00 39.78 38.50 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 0.14 0.69 0.16 5.41 0.00 -1.26 -2.82 120.51 122.82 1fex n ALA 31 Ca 0.00 -0.49 0.18 0.00 0.00 0.00 0.00 53.44 53.13 1fex n ALA 31 Cb 0.80 -0.33 0.78 0.00 0.00 0.00 0.00 19.45 20.70 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 0.11 0.00 5.85 -1.91 0.78 115.31 119.14 1fex h LEU 32 Ca -0.24 0.00 -0.21 0.00 0.84 0.00 0.00 57.88 58.27 1fex h LEU 32 Cb 1.04 0.00 0.01 0.00 0.37 0.00 0.00 40.66 42.08 1fex h LEU 32 CO -0.15 0.00 -0.99 -0.50 -0.34 0.00 0.00 178.44 176.46 1fex h TRP 33 N 0.00 0.43 -0.76 1.25 4.06 -1.86 -2.92 115.95 116.15 1fex h TRP 33 Ca 0.13 -0.31 0.03 0.00 2.06 0.00 0.00 58.89 60.79 1fex h TRP 33 Cb 0.65 -0.02 -0.04 0.00 -1.00 0.00 0.00 29.16 28.75 1fex h TRP 33 CO 0.00 1.38 0.48 0.87 -3.56 0.00 0.00 178.44 177.62 1fex h LYS 34 N -0.44 0.92 -0.70 0.49 1.57 -1.09 -1.81 116.57 115.51 1fex h LYS 34 Ca -0.20 -0.06 -0.06 0.00 -1.87 0.00 0.00 60.65 58.46 1fex h LYS 34 Cb 1.61 -0.21 -0.03 0.00 0.08 0.00 0.00 32.23 33.68 1fex h LYS 34 CO 0.08 0.61 0.20 0.00 -0.57 0.00 0.00 179.45 179.77 1fex h ALA 35 N 1.31 1.02 -0.88 3.86 0.00 -1.01 -1.75 119.26 121.83 1fex h ALA 35 Ca 0.30 -0.23 0.07 0.00 0.00 0.00 0.00 54.91 55.05 1fex h ALA 35 Cb -0.01 -0.27 -0.06 0.00 0.00 0.00 0.00 17.79 17.45 1fex h ALA 35 CO -0.10 0.65 0.57 1.98 0.00 0.00 0.00 179.25 182.35 1fex h MET 36 N 1.05 0.94 0.00 0.00 -1.53 -1.13 0.44 114.93 114.70 1fex h MET 36 Ca 0.22 -0.06 -0.16 0.00 -3.44 0.00 0.00 59.70 56.27 1fex h MET 36 Cb 0.33 -0.21 -0.02 0.00 -0.55 0.00 0.00 31.60 31.14 1fex h MET 36 CO -0.00 0.62 -0.75 1.49 0.14 0.00 0.00 176.91 178.41 1fex h GLU 37 N 0.97 0.00 -0.55 0.39 4.22 -0.98 -2.87 114.58 115.76 1fex h GLU 37 Ca 0.38 0.00 -0.14 0.00 0.08 0.00 0.00 59.36 59.68 1fex h GLU 37 Cb 0.24 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.40 1fex h GLU 37 CO -0.14 0.75 0.13 1.17 -2.18 0.00 0.00 179.01 178.73 1fex n LYS 38 N -3.61 3.34 0.03 1.92 4.81 -0.28 -4.60 118.16 119.78 1fex n LYS 38 Ca -0.01 -3.05 0.00 0.00 -0.87 0.00 0.00 58.31 54.38 1fex n LYS 38 Cb 0.73 -2.07 0.00 0.00 0.02 0.00 0.00 35.03 33.71 1fex n LYS 38 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 1fex n SER 39 N -0.33 0.15 -2.94 3.14 3.41 0.14 -4.97 113.62 112.21 1fex n SER 39 Ca 0.34 0.10 0.00 0.00 -0.26 0.00 0.00 58.87 59.05 1fex n SER 39 Cb 1.20 0.01 0.00 0.00 -0.26 0.00 0.00 64.21 65.16 1fex n SER 39 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1fex s SER 40 N -5.16 -0.98 0.10 4.04 0.15 -1.09 -5.07 113.70 105.68 1fex s SER 40 Ca 0.00 -0.65 -0.23 0.00 0.70 0.00 0.00 55.95 55.78 1fex s SER 40 Cb 0.00 1.26 0.06 0.00 -1.71 0.00 0.00 66.02 65.62 1fex s SER 40 CO 0.00 -0.09 0.55 -0.22 1.20 0.00 0.00 173.24 174.68 1fex s LEU 41 N 1.67 -0.27 0.00 3.45 0.20 -1.24 -4.89 118.68 117.61 1fex s LEU 41 Ca 0.18 0.08 0.00 0.00 0.69 0.00 0.00 54.13 55.08 1fex s LEU 41 Cb 0.01 2.32 0.00 0.00 -0.43 0.00 0.00 46.19 48.09 1fex s LEU 41 CO -0.10 -0.83 0.00 0.35 -0.29 0.00 0.00 176.35 175.48 1fex n THR 42 N 0.03 0.00 -2.13 3.68 -2.24 -1.26 -4.76 114.28 107.60 1fex n THR 42 Ca -0.17 0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.20 1fex n THR 42 Cb 0.62 -0.46 -0.02 0.00 -2.10 0.00 0.00 70.33 68.38 1fex n THR 42 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1fex n GLN 43 N -0.93 2.65 -4.36 -0.78 10.64 -1.26 -4.88 117.38 118.45 1fex n GLN 43 Ca 0.00 -2.82 -0.21 0.00 -1.83 0.00 0.00 57.00 52.14 1fex n GLN 43 Cb 0.00 -3.43 -0.08 0.00 -0.86 0.00 0.00 30.24 25.86 1fex n GLN 43 CO 0.00 0.00 0.00 -1.01 -1.83 0.00 0.00 177.06 174.22 1fex s HIS 44 N 5.32 1.70 0.11 2.61 3.76 -1.26 -4.92 115.29 122.61 1fex s HIS 44 Ca 0.55 -1.47 0.09 0.00 -0.15 0.00 0.00 55.06 54.09 1fex s HIS 44 Cb 0.07 -0.88 -0.04 0.00 1.11 0.00 0.00 32.58 32.84 1fex s HIS 44 CO 0.05 -0.61 -0.21 -1.54 -0.85 0.00 0.00 174.74 171.58 1fex s SER 45 N -3.44 3.66 0.30 1.40 1.04 -1.26 -4.94 113.70 110.46 1fex s SER 45 Ca 0.34 -0.61 0.02 0.00 0.48 0.00 0.00 55.95 56.18 1fex s SER 45 Cb 0.03 -0.43 0.57 0.00 0.10 0.00 0.00 66.02 66.29 1fex s SER 45 CO 0.21 0.19 1.89 4.11 0.98 0.00 0.00 173.24 180.62 1fex h TRP 46 N 3.93 1.04 -0.83 5.02 5.08 -1.91 -1.39 115.95 126.88 1fex h TRP 46 Ca -0.50 0.03 0.09 0.00 1.08 0.00 0.00 58.89 59.59 1fex h TRP 46 Cb 1.17 -0.34 -0.06 0.00 -3.00 0.00 0.00 29.16 26.93 1fex h TRP 46 CO 0.59 0.50 0.54 0.37 -1.28 0.00 0.00 178.44 179.16 1fex h GLN 47 N 0.98 0.79 0.26 0.12 4.15 -1.95 0.24 115.11 119.70 1fex h GLN 47 Ca 0.42 -0.05 -0.01 0.00 0.77 0.00 0.00 58.65 59.78 1fex h GLN 47 Cb 0.33 -0.18 0.00 0.00 0.21 0.00 0.00 27.48 27.84 1fex h GLN 47 CO -0.18 0.52 -0.12 1.03 -1.93 0.00 0.00 178.83 178.15 1fex h SER 48 N 0.81 -0.29 -0.33 -0.69 0.87 -1.67 -0.56 113.55 111.70 1fex h SER 48 Ca 0.38 0.01 0.09 0.00 -1.23 0.00 0.00 61.79 61.05 1fex h SER 48 Cb 0.40 0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.42 1fex h SER 48 CO -0.15 -0.09 0.28 0.17 -0.53 0.00 0.00 176.83 176.51 1fex h LEU 49 N -0.59 0.00 0.03 2.23 8.10 -1.44 0.19 115.31 123.83 1fex h LEU 49 Ca -0.04 0.00 -0.00 0.00 0.11 0.00 0.00 57.88 57.95 1fex h LEU 49 Cb 0.26 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.48 1fex h LEU 49 CO 0.06 0.00 -0.01 0.50 -4.11 0.00 0.00 178.44 174.87 1fex h LYS 50 N 0.00 -0.04 -0.35 0.17 3.11 -0.54 -2.87 116.57 116.05 1fex h LYS 50 Ca 0.15 0.00 -0.03 0.00 -2.81 0.00 0.00 60.65 57.97 1fex h LYS 50 Cb 0.71 0.01 -0.02 0.00 -1.00 0.00 0.00 32.23 31.93 1fex h LYS 50 CO -0.00 0.66 0.11 0.22 -2.81 0.00 0.00 179.45 177.63 1fex h ASP 51 N -0.84 0.46 -0.15 4.20 1.82 -0.46 -1.76 116.42 119.70 1fex h ASP 51 Ca -0.00 -0.05 -0.06 0.00 -0.39 0.00 0.00 57.03 56.53 1fex h ASP 51 Cb 0.71 -0.12 -0.02 0.00 0.68 0.00 0.00 39.33 40.59 1fex h ASP 51 CO 0.01 0.45 -0.07 -0.09 -1.61 0.00 0.00 179.24 177.92 1fex h ARG 52 N 0.50 0.46 -0.81 0.28 1.12 -0.70 0.20 114.38 115.43 1fex h ARG 52 Ca 0.12 -0.11 -0.01 0.00 -1.11 0.00 0.00 59.98 58.87 1fex h ARG 52 Cb 0.16 -0.06 -0.04 0.00 -0.01 0.00 0.00 29.97 30.02 1fex h ARG 52 CO -0.01 0.54 0.48 -0.92 -3.11 0.00 0.00 179.97 176.96 1fex h TYR 53 N 0.43 1.09 0.00 2.20 3.20 -1.08 -2.22 116.97 120.59 1fex h TYR 53 Ca 0.09 -0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.89 1fex h TYR 53 Cb 0.40 -0.35 -0.01 0.00 1.54 0.00 0.00 36.73 38.31 1fex h TYR 53 CO 0.01 0.74 -0.57 -0.07 -1.64 0.00 0.00 178.16 176.63 1fex h LEU 54 N 1.12 0.00 -0.02 2.82 3.38 -1.39 -0.33 115.31 120.88 1fex h LEU 54 Ca 0.29 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.27 1fex h LEU 54 Cb -0.02 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 1fex h LEU 54 CO -0.05 0.23 -0.04 0.11 0.09 0.00 0.00 178.44 178.78 1fex h LYS 55 N 0.00 -0.05 0.00 1.13 1.79 0.01 -3.42 116.57 116.02 1fex h LYS 55 Ca -0.02 0.00 -0.14 0.00 -2.18 0.00 0.00 60.65 58.30 1fex h LYS 55 Cb 1.20 0.01 -0.12 0.00 -1.58 0.00 0.00 32.23 31.74 1fex h LYS 55 CO 0.03 -0.04 -0.05 -2.39 -1.08 0.00 0.00 179.45 175.92 1fex n HIS 56 N -5.15 -1.32 0.04 -1.35 1.44 -1.12 -5.03 115.22 102.73 1fex n HIS 56 Ca -0.06 -1.25 0.00 0.00 -2.01 0.00 0.00 57.72 54.40 1fex n HIS 56 Cb 0.08 1.37 0.00 0.00 0.12 0.00 0.00 29.99 31.56 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 -0.56 0.16 -4.28 2.39 4.77 -0.89 -5.03 117.00 113.56 1fex n LEU 57 Ca -0.16 0.13 -0.28 0.00 -0.03 0.00 0.00 56.01 55.66 1fex n LEU 57 Cb 0.74 0.03 0.23 0.00 -2.33 0.00 0.00 43.42 42.08 1fex n LEU 57 CO -0.10 -0.46 0.08 -2.11 -1.33 0.00 0.00 177.39 173.48 1fex n ARG 58 N -3.02 -2.85 0.00 3.23 -4.01 -0.19 -5.05 116.66 104.78 1fex n ARG 58 Ca 0.00 -0.83 0.00 0.00 -1.04 0.00 0.00 57.85 55.98 1fex n ARG 58 Cb 0.15 -1.86 0.00 0.00 -3.04 0.00 0.00 32.46 27.71 1fex n ARG 58 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00