#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 3.25 -1.05 1.61 1.81 -1.26 -4.95 118.95 118.37 1fex s ARG 2 Ca 0.00 -0.48 -0.03 0.00 -1.72 0.00 0.00 55.73 53.50 1fex s ARG 2 Cb 0.00 -4.09 0.31 0.00 -0.45 0.00 0.00 34.95 30.72 1fex s ARG 2 CO 0.00 -1.51 1.55 1.51 -0.68 0.00 0.00 175.30 176.18 1fex n ILE 3 N 6.04 5.45 -3.81 1.52 0.13 -1.26 -4.74 119.36 122.70 1fex n ILE 3 Ca -0.01 -5.94 -0.03 0.00 -1.10 0.00 0.00 62.75 55.68 1fex n ILE 3 Cb 0.47 -1.92 0.02 0.00 -0.84 0.00 0.00 39.64 37.36 1fex n ILE 3 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1fex n ALA 4 N 0.90 -2.20 -3.44 1.51 0.00 -1.26 -5.13 120.51 110.88 1fex n ALA 4 Ca 0.32 -0.87 -0.24 0.00 0.00 0.00 0.00 53.44 52.64 1fex n ALA 4 Cb 0.31 0.50 -0.11 0.00 0.00 0.00 0.00 19.45 20.16 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 -2.78 0.22 0.00 0.00 0.08 -1.26 -5.01 117.98 109.23 1fex s PHE 5 Ca 0.19 -1.09 0.00 0.00 0.12 0.00 0.00 56.93 56.15 1fex s PHE 5 Cb -0.02 -0.71 0.00 0.00 -0.57 0.00 0.00 43.02 41.71 1fex s PHE 5 CO 0.05 -0.88 0.00 0.25 -0.10 0.00 0.00 175.22 174.54 1fex n THR 6 N 4.47 0.00 0.05 0.64 -2.24 -1.26 -4.74 114.28 111.21 1fex n THR 6 Ca 0.07 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.82 1fex n THR 6 Cb 0.41 -1.70 0.23 0.00 -2.10 0.00 0.00 70.33 67.17 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 0.00 0.38 0.35 3.42 3.32 -2.00 -1.91 116.42 119.97 1fex h ASP 7 Ca 0.00 -0.13 -0.20 0.00 0.02 0.00 0.00 57.03 56.72 1fex h ASP 7 Cb 0.00 -0.10 -0.00 0.00 0.22 0.00 0.00 39.33 39.44 1fex h ASP 7 CO 0.00 0.67 -0.83 0.00 -1.72 0.00 0.00 179.24 177.36 1fex h ALA 8 N 1.36 0.50 -0.16 3.45 0.00 -1.99 -2.78 119.26 119.64 1fex h ALA 8 Ca 0.04 -0.66 -0.08 0.00 0.00 0.00 0.00 54.91 54.21 1fex h ALA 8 Cb 0.70 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 1fex h ALA 8 CO 0.05 0.81 -0.21 -0.44 0.00 0.00 0.00 179.25 179.47 1fex h ASP 9 N 0.23 0.46 -0.53 0.00 5.19 -1.86 -2.76 116.42 117.15 1fex h ASP 9 Ca -0.05 -0.51 -0.01 0.00 -0.62 0.00 0.00 57.03 55.85 1fex h ASP 9 Cb 1.43 -0.13 -0.03 0.00 0.18 0.00 0.00 39.33 40.79 1fex h ASP 9 CO 0.14 0.87 0.30 0.44 -3.12 0.00 0.00 179.24 177.88 1fex h ASP 10 N 0.06 0.65 0.11 6.45 3.32 -1.41 -1.45 116.42 124.15 1fex h ASP 10 Ca 0.02 -0.08 -0.01 0.00 0.02 0.00 0.00 57.03 56.98 1fex h ASP 10 Cb 0.76 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 40.15 1fex h ASP 10 CO 0.05 0.54 -0.07 0.58 -1.72 0.00 0.00 179.24 178.62 1fex h VAL 11 N 0.71 0.80 0.06 -1.35 2.07 -1.50 0.91 116.25 117.94 1fex h VAL 11 Ca 0.19 -0.25 -0.14 0.00 0.82 0.00 0.00 66.70 67.33 1fex h VAL 11 Cb 0.02 1.14 0.01 0.00 -1.52 0.00 0.00 31.29 30.95 1fex h VAL 11 CO -0.03 0.06 -0.56 0.00 0.02 0.00 0.00 177.57 177.06 1fex h ALA 12 N 1.93 -0.01 -0.05 1.67 0.00 -1.03 -2.56 119.26 119.22 1fex h ALA 12 Ca -0.00 -0.59 -0.12 0.00 0.00 0.00 0.00 54.91 54.20 1fex h ALA 12 Cb 0.14 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1fex h ALA 12 CO 0.01 0.28 -0.50 0.82 0.00 0.00 0.00 179.25 179.86 1fex h ILE 13 N -0.37 1.35 0.50 0.00 2.04 -0.96 -2.78 117.51 117.29 1fex h ILE 13 Ca -0.09 -1.73 -0.02 0.00 1.00 0.00 0.00 64.86 64.02 1fex h ILE 13 Cb 1.36 1.87 0.00 0.00 -0.74 0.00 0.00 36.82 39.31 1fex h ILE 13 CO 0.11 0.50 -0.24 0.25 0.00 0.00 0.00 178.15 178.77 1fex h LEU 14 N 0.11 -0.57 -1.12 1.44 5.85 -0.90 -1.78 115.31 118.34 1fex h LEU 14 Ca 0.00 -0.00 0.22 0.00 0.84 0.00 0.00 57.88 58.94 1fex h LEU 14 Cb 0.92 0.15 -0.11 0.00 0.37 0.00 0.00 40.66 41.99 1fex h LEU 14 CO 0.07 -0.15 0.62 0.74 -0.34 0.00 0.00 178.44 179.38 1fex h THR 15 N -1.16 0.62 0.11 1.05 2.02 -1.51 0.67 112.91 114.71 1fex h THR 15 Ca -0.07 -0.21 -0.01 0.00 0.77 0.00 0.00 66.41 66.90 1fex h THR 15 Cb 0.53 -0.05 0.00 0.00 -1.74 0.00 0.00 68.15 66.90 1fex h THR 15 CO 0.11 0.11 -0.05 0.22 0.37 0.00 0.00 175.52 176.28 1fex h TYR 16 N 0.61 -0.14 0.09 3.16 5.03 -1.51 -2.54 116.97 121.67 1fex h TYR 16 Ca 0.59 -0.00 -0.00 0.00 2.58 0.00 0.00 58.73 61.90 1fex h TYR 16 Cb 1.14 0.05 0.00 0.00 1.55 0.00 0.00 36.73 39.47 1fex h TYR 16 CO -0.00 0.25 -0.04 0.28 -1.32 0.00 0.00 178.16 177.32 1fex h VAL 17 N -0.56 1.04 -0.37 1.81 2.07 -0.34 -2.21 116.25 117.69 1fex h VAL 17 Ca -0.02 -0.49 0.11 0.00 0.82 0.00 0.00 66.70 67.13 1fex h VAL 17 Cb 0.45 1.36 -0.01 0.00 -1.52 0.00 0.00 31.29 31.56 1fex h VAL 17 CO 0.03 0.12 0.37 0.50 0.02 0.00 0.00 177.57 178.60 1fex h LYS 18 N -0.34 0.00 0.00 1.57 3.11 0.23 0.35 116.57 121.49 1fex h LYS 18 Ca -0.01 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.83 1fex h LYS 18 Cb 0.29 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.52 1fex h LYS 18 CO 0.02 0.00 -0.11 0.93 -2.81 0.00 0.00 179.45 177.48 1fex h GLU 19 N 0.00 0.00 0.07 1.90 5.08 -1.15 -3.43 114.58 117.05 1fex h GLU 19 Ca 0.18 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.53 1fex h GLU 19 Cb 0.91 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.16 1fex h GLU 19 CO -0.00 0.00 -0.04 -0.91 -1.00 0.00 0.00 179.01 177.06 1fex h ASN 20 N -0.92 -0.08 -0.48 1.42 2.35 -1.22 -3.43 115.58 113.21 1fex h ASN 20 Ca 0.00 0.00 -0.37 0.00 -0.55 0.00 0.00 56.30 55.38 1fex h ASN 20 Cb 0.11 0.02 -0.05 0.00 0.05 0.00 0.00 38.32 38.45 1fex h ASN 20 CO 0.00 0.33 1.48 0.00 -1.65 0.00 0.00 177.43 177.59 1fex n ALA 21 N -2.65 0.62 -2.16 -0.83 0.00 0.12 -4.55 120.51 111.06 1fex n ALA 21 Ca -0.01 -0.78 -0.03 0.00 0.00 0.00 0.00 53.44 52.62 1fex n ALA 21 Cb 0.04 -2.73 -0.03 0.00 0.00 0.00 0.00 19.45 16.73 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 8.01 0.00 -3.54 0.00 3.00 -1.26 -4.58 116.66 118.29 1fex n ARG 22 Ca 0.55 -1.23 -0.11 0.00 -0.00 0.00 0.00 57.85 57.06 1fex n ARG 22 Cb 0.26 0.25 -0.03 0.00 0.00 0.00 0.00 32.46 32.94 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 -1.23 -0.39 -0.96 6.15 1.04 -1.26 -5.04 113.70 112.00 1fex s SER 23 Ca 0.11 -0.15 -0.13 0.00 0.48 0.00 0.00 55.95 56.27 1fex s SER 23 Cb 0.12 0.53 -0.08 0.00 0.10 0.00 0.00 66.02 66.69 1fex s SER 23 CO -0.05 -0.89 2.12 -0.81 0.98 0.00 0.00 173.24 174.58 1fex n PRO 24 N -0.25 2.06 0.00 4.02 -0.04 -1.26 -3.35 135.00 136.19 1fex n PRO 24 Ca -0.17 -1.75 0.00 0.00 -0.04 0.00 0.00 63.50 61.55 1fex n PRO 24 Cb 0.64 -2.71 0.00 0.00 -0.04 0.00 0.00 33.50 31.39 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 5.48 0.00 0.36 3.54 2.88 -1.26 -4.87 113.62 119.76 1fex n SER 25 Ca 0.49 0.00 -0.15 0.00 -1.33 0.00 0.00 58.87 57.89 1fex n SER 25 Cb 0.26 0.31 -0.07 0.00 -0.75 0.00 0.00 64.21 63.95 1fex n SER 25 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 1fex h SER 26 N 0.00 -0.81 0.90 -3.46 4.64 -1.90 0.66 113.55 113.58 1fex h SER 26 Ca 0.00 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 1fex h SER 26 Cb 0.00 0.21 0.00 0.00 -0.31 0.00 0.00 62.40 62.30 1fex h SER 26 CO 0.00 -0.45 0.00 -0.37 -0.87 0.00 0.00 176.83 175.14 1fex h VAL 27 N -1.20 0.00 0.07 0.95 -1.51 -1.95 -3.14 116.25 109.47 1fex h VAL 27 Ca -0.10 -0.41 -0.35 0.00 -1.23 0.00 0.00 66.70 64.61 1fex h VAL 27 Cb 0.73 1.31 -0.04 0.00 -2.13 0.00 0.00 31.29 31.17 1fex h VAL 27 CO 0.16 0.00 -2.03 0.41 -1.23 0.00 0.00 177.57 174.88 1fex n THR 28 N -2.79 1.68 -0.60 7.19 -1.04 -1.18 -4.95 114.28 112.57 1fex n THR 28 Ca 0.01 -0.69 0.00 0.00 -2.04 0.00 0.00 64.05 61.33 1fex n THR 28 Cb 0.28 -1.45 0.00 0.00 -1.82 0.00 0.00 70.33 67.34 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 1.92 1.41 1.88 3.41 0.00 0.23 -5.01 105.19 109.03 1fex n GLY 29 Ca -0.31 -1.73 0.02 0.00 0.00 0.00 0.00 46.02 44.00 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 1.38 -0.08 1.61 3.02 -1.26 -4.90 115.26 115.03 1fex n ASN 30 Ca 0.00 -2.21 -0.10 0.00 -0.03 0.00 0.00 54.58 52.24 1fex n ASN 30 Cb 0.00 -0.37 -0.05 0.00 -0.61 0.00 0.00 39.78 38.75 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 -0.01 0.57 -0.15 5.41 0.00 -1.26 -2.82 120.51 122.24 1fex n ALA 31 Ca 0.09 -0.46 0.09 0.00 0.00 0.00 0.00 53.44 53.16 1fex n ALA 31 Cb 1.00 -0.14 0.41 0.00 0.00 0.00 0.00 19.45 20.71 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 0.55 -0.00 0.00 5.85 -1.91 0.38 115.31 119.18 1fex h LEU 32 Ca -0.11 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.60 1fex h LEU 32 Cb 0.76 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.69 1fex h LEU 32 CO -0.07 0.34 -0.07 -0.50 -0.34 0.00 0.00 178.44 177.80 1fex h TRP 33 N 0.62 0.08 -0.71 1.25 4.06 -1.85 -2.99 115.95 116.42 1fex h TRP 33 Ca 0.31 -0.04 0.06 0.00 2.06 0.00 0.00 58.89 61.28 1fex h TRP 33 Cb 0.40 -0.01 -0.04 0.00 -1.00 0.00 0.00 29.16 28.51 1fex h TRP 33 CO -0.00 0.80 0.47 0.87 -3.56 0.00 0.00 178.44 177.01 1fex h LYS 34 N -0.65 0.74 -0.72 0.49 1.79 -1.29 -0.57 116.57 116.36 1fex h LYS 34 Ca -0.01 -0.04 -0.03 0.00 -2.18 0.00 0.00 60.65 58.39 1fex h LYS 34 Cb 0.81 -0.17 -0.03 0.00 -1.58 0.00 0.00 32.23 31.26 1fex h LYS 34 CO 0.01 0.49 0.33 0.00 -1.08 0.00 0.00 179.45 179.20 1fex h ALA 35 N 1.61 1.22 -0.39 3.86 0.00 -0.96 -2.51 119.26 122.09 1fex h ALA 35 Ca 0.30 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1fex h ALA 35 Cb 0.22 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1fex h ALA 35 CO -0.10 0.59 0.18 0.52 0.00 0.00 0.00 179.25 180.45 1fex h MET 36 N 1.03 0.56 -0.75 0.00 2.86 -0.96 -0.74 114.93 116.94 1fex h MET 36 Ca 0.25 -0.08 0.18 0.00 -2.06 0.00 0.00 59.70 57.98 1fex h MET 36 Cb 0.13 -0.10 -0.04 0.00 0.06 0.00 0.00 31.60 31.65 1fex h MET 36 CO -0.03 0.50 0.52 1.49 1.06 0.00 0.00 176.91 180.45 1fex h GLU 37 N 0.49 0.23 0.00 1.72 4.22 -1.01 0.93 114.58 121.16 1fex h GLU 37 Ca 0.13 -0.01 -0.12 0.00 0.08 0.00 0.00 59.36 59.44 1fex h GLU 37 Cb 0.13 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 1fex h GLU 37 CO -0.02 0.15 -0.99 0.87 -2.18 0.00 0.00 179.01 176.85 1fex h LYS 38 N 0.24 0.00 -0.36 1.92 1.57 -1.23 -3.42 116.57 115.29 1fex h LYS 38 Ca 0.37 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.93 1fex h LYS 38 Cb 1.11 0.00 -0.16 0.00 0.08 0.00 0.00 32.23 33.26 1fex h LYS 38 CO -0.08 0.33 -0.52 0.43 -0.57 0.00 0.00 179.45 179.03 1fex n SER 39 N -3.00 -2.89 -4.88 0.86 7.64 0.53 -5.12 113.62 106.76 1fex n SER 39 Ca -0.04 -3.18 -0.25 0.00 1.01 0.00 0.00 58.87 56.41 1fex n SER 39 Cb 0.76 1.69 -0.02 0.00 -1.01 0.00 0.00 64.21 65.63 1fex n SER 39 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1fex s SER 40 N -1.03 4.66 0.06 6.43 1.04 0.29 -4.57 113.70 120.59 1fex s SER 40 Ca 0.32 -1.16 0.14 0.00 0.48 0.00 0.00 55.95 55.73 1fex s SER 40 Cb 0.17 0.19 -0.15 0.00 0.10 0.00 0.00 66.02 66.33 1fex s SER 40 CO -0.20 -0.98 0.90 0.25 0.98 0.00 0.00 173.24 174.19 1fex h LEU 41 N 0.86 0.00-10.38 2.42 5.85 -1.90 -3.47 115.31 108.69 1fex h LEU 41 Ca -0.38 0.00 -0.59 0.00 0.84 0.00 0.00 57.88 57.74 1fex h LEU 41 Cb 1.29 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 42.27 1fex h LEU 41 CO 0.59 0.74 -0.30 -0.89 -0.34 0.00 0.00 178.44 178.24 1fex s THR 42 N -2.81 1.53 -0.56 1.05 2.01 -1.26 -5.08 115.64 110.51 1fex s THR 42 Ca -0.02 -1.51 -0.11 0.00 0.31 0.00 0.00 61.69 60.36 1fex s THR 42 Cb 0.08 -2.04 0.14 0.00 0.01 0.00 0.00 72.50 70.70 1fex s THR 42 CO 0.81 0.00 0.46 -1.10 -0.69 0.00 0.00 174.62 174.10 1fex s GLN 43 N -4.30 2.79 0.03 4.92 -0.21 -1.26 -5.02 119.66 116.60 1fex s GLN 43 Ca 0.31 -1.96 -0.27 0.00 0.02 0.00 0.00 55.36 53.46 1fex s GLN 43 Cb -0.02 -4.07 0.08 0.00 1.00 0.00 0.00 33.01 30.00 1fex s GLN 43 CO 0.20 -1.24 0.74 -1.01 -2.12 0.00 0.00 175.29 171.86 1fex s HIS 44 N 1.04 -0.50 0.00 0.91 3.76 -1.26 -4.39 115.29 114.85 1fex s HIS 44 Ca 0.09 0.54 0.00 0.00 -0.15 0.00 0.00 55.06 55.54 1fex s HIS 44 Cb -0.24 0.50 0.00 0.00 1.11 0.00 0.00 32.58 33.96 1fex s HIS 44 CO -0.02 -0.65 0.00 -1.13 -0.85 0.00 0.00 174.74 172.09 1fex n SER 45 N 0.11 -0.76 -0.06 1.40 3.41 -1.26 -4.55 113.62 111.90 1fex n SER 45 Ca -0.15 -0.32 -0.13 0.00 -0.26 0.00 0.00 58.87 58.01 1fex n SER 45 Cb 0.61 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.42 1fex n SER 45 CO 0.00 0.00 0.00 -2.67 -0.16 0.00 0.00 175.04 172.21 1fex n TRP 46 N -1.95 0.53 -0.04 7.33 4.27 -1.26 -4.14 117.44 122.17 1fex n TRP 46 Ca 0.00 0.16 -0.12 0.00 -3.89 0.00 0.00 57.50 53.64 1fex n TRP 46 Cb 0.00 -1.08 -0.07 0.00 -1.36 0.00 0.00 31.31 28.80 1fex n TRP 46 CO 0.00 0.00 0.00 0.37 -2.29 0.00 0.00 177.69 175.77 1fex h GLN 47 N 0.01 0.23 -0.54 -2.67 4.15 -1.94 -1.40 115.11 112.96 1fex h GLN 47 Ca -0.46 -0.09 0.14 0.00 0.77 0.00 0.00 58.65 59.01 1fex h GLN 47 Cb 2.07 -0.01 -0.03 0.00 0.21 0.00 0.00 27.48 29.72 1fex h GLN 47 CO 0.03 0.54 0.38 1.03 -1.93 0.00 0.00 178.83 178.88 1fex h SER 48 N -0.09 0.10 0.46 -0.69 0.87 -1.96 0.61 113.55 112.85 1fex h SER 48 Ca 0.03 0.00 -0.30 0.00 -1.23 0.00 0.00 61.79 60.29 1fex h SER 48 Cb 0.45 -0.02 0.02 0.00 -0.44 0.00 0.00 62.40 62.42 1fex h SER 48 CO 0.01 0.05 -1.38 -0.07 -0.53 0.00 0.00 176.83 174.92 1fex h LEU 49 N 0.10 0.60 -0.01 2.23 3.38 -1.67 -3.07 115.31 116.86 1fex h LEU 49 Ca 0.26 -0.65 -0.18 0.00 0.09 0.00 0.00 57.88 57.39 1fex h LEU 49 Cb 0.87 -0.19 0.01 0.00 0.09 0.00 0.00 40.66 41.44 1fex h LEU 49 CO -0.03 1.52 -0.70 0.50 0.09 0.00 0.00 178.44 179.82 1fex h LYS 50 N 0.10 0.50 -0.49 1.13 3.11 0.01 -2.97 116.57 117.96 1fex h LYS 50 Ca -0.20 -0.52 0.02 0.00 -2.81 0.00 0.00 60.65 57.15 1fex h LYS 50 Cb 2.06 0.14 -0.03 0.00 -1.00 0.00 0.00 32.23 33.40 1fex h LYS 50 CO 0.23 1.16 0.29 0.22 -2.81 0.00 0.00 179.45 178.53 1fex h ASP 51 N 0.05 0.46 -0.46 4.20 3.58 0.03 -2.00 116.42 122.28 1fex h ASP 51 Ca -0.08 0.01 -0.04 0.00 0.42 0.00 0.00 57.03 57.34 1fex h ASP 51 Cb 1.39 -0.09 -0.02 0.00 1.72 0.00 0.00 39.33 42.33 1fex h ASP 51 CO 0.14 0.32 0.17 -0.09 -2.88 0.00 0.00 179.24 176.90 1fex h ARG 52 N 0.57 0.76 -0.52 0.28 1.12 -1.61 0.96 114.38 115.94 1fex h ARG 52 Ca 0.20 -0.13 0.05 0.00 -1.11 0.00 0.00 59.98 58.99 1fex h ARG 52 Cb 0.03 -0.13 -0.03 0.00 -0.01 0.00 0.00 29.97 29.83 1fex h ARG 52 CO -0.09 0.66 0.35 -0.92 -3.11 0.00 0.00 179.97 176.85 1fex h TYR 53 N 0.75 0.50 0.00 2.20 3.20 -1.19 -1.73 116.97 120.69 1fex h TYR 53 Ca 0.17 0.01 -0.14 0.00 3.14 0.00 0.00 58.73 61.91 1fex h TYR 53 Cb 0.21 -0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.29 1fex h TYR 53 CO 0.01 0.28 -1.41 1.28 -1.64 0.00 0.00 178.16 176.68 1fex n LEU 54 N -4.47 0.80 -0.16 2.82 4.77 -0.79 0.45 117.00 120.42 1fex n LEU 54 Ca 0.07 0.34 -0.05 0.00 -0.03 0.00 0.00 56.01 56.34 1fex n LEU 54 Cb 0.21 0.06 0.04 0.00 -2.33 0.00 0.00 43.42 41.41 1fex n LEU 54 CO 0.34 0.10 1.02 0.11 -1.33 0.00 0.00 177.39 177.63 1fex h LYS 55 N 0.00 0.48 0.00 3.23 1.79 0.10 -3.41 116.57 118.76 1fex h LYS 55 Ca -0.15 -0.03 -0.13 0.00 -2.18 0.00 0.00 60.65 58.16 1fex h LYS 55 Cb 1.50 -0.11 -0.11 0.00 -1.58 0.00 0.00 32.23 31.93 1fex h LYS 55 CO 0.04 0.31 -0.00 -2.39 -1.08 0.00 0.00 179.45 176.33 1fex n HIS 56 N -4.88 -1.07 0.01 -1.35 1.44 -1.11 -5.02 115.22 103.23 1fex n HIS 56 Ca 0.04 -1.11 0.00 0.00 -2.01 0.00 0.00 57.72 54.63 1fex n HIS 56 Cb 0.12 1.31 0.00 0.00 0.12 0.00 0.00 29.99 31.54 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 -0.27 -0.01 -4.55 2.39 4.77 -1.06 -5.01 117.00 113.26 1fex n LEU 57 Ca -0.15 0.02 -0.24 0.00 -0.03 0.00 0.00 56.01 55.61 1fex n LEU 57 Cb 0.72 0.02 -0.05 0.00 -2.33 0.00 0.00 43.42 41.77 1fex n LEU 57 CO -0.09 -0.50 1.62 -1.14 -1.33 0.00 0.00 177.39 175.94 1fex n ARG 58 N -2.55 0.78 -0.89 3.23 0.00 0.17 -5.03 116.66 112.37 1fex n ARG 58 Ca 0.00 -0.44 0.00 0.00 -0.00 0.00 0.00 57.85 57.41 1fex n ARG 58 Cb 0.01 -3.55 0.00 0.00 0.00 0.00 0.00 32.46 28.92 1fex n ARG 58 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04