#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 1.07 -1.69 1.61 1.74 -1.26 -4.96 116.66 113.17 1fex n ARG 2 Ca 0.00 0.00 -0.43 0.00 -0.77 0.00 0.00 57.85 56.65 1fex n ARG 2 Cb 0.00 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.41 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 -0.73 0.29 -2.14 0.55 2.08 -1.26 -4.84 119.36 113.32 1fex n ILE 3 Ca 0.00 -0.05 -0.33 0.00 0.56 0.00 0.00 62.75 62.93 1fex n ILE 3 Cb 0.00 -2.03 -0.04 0.00 -0.75 0.00 0.00 39.64 36.82 1fex n ILE 3 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1fex n ALA 4 N 5.26 2.41 -3.48 -1.39 0.00 -1.26 -4.80 120.51 117.24 1fex n ALA 4 Ca 0.18 -3.26 -0.31 0.00 0.00 0.00 0.00 53.44 50.04 1fex n ALA 4 Cb 0.36 -3.52 -0.07 0.00 0.00 0.00 0.00 19.45 16.21 1fex n ALA 4 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1fex n PHE 5 N 12.35 3.48 -0.66 0.00 3.01 -1.26 -4.96 117.46 129.41 1fex n PHE 5 Ca 0.46 -3.93 -0.29 0.00 1.01 0.00 0.00 57.45 54.70 1fex n PHE 5 Cb 0.46 -0.79 0.25 0.00 -0.01 0.00 0.00 39.48 39.39 1fex n PHE 5 CO 0.00 0.00 0.00 0.99 1.01 0.00 0.00 176.76 178.76 1fex s THR 6 N -2.16 1.77 0.53 4.37 2.01 -1.26 -4.67 115.64 116.23 1fex s THR 6 Ca 0.34 0.00 0.20 0.00 0.31 0.00 0.00 61.69 62.54 1fex s THR 6 Cb 0.06 -2.18 0.31 0.00 0.01 0.00 0.00 72.50 70.70 1fex s THR 6 CO -0.04 0.00 2.12 0.44 -0.69 0.00 0.00 174.62 176.45 1fex h ASP 7 N -2.73 0.00 -0.01 3.53 3.32 -2.00 -2.14 116.42 116.39 1fex h ASP 7 Ca -0.55 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.49 1fex h ASP 7 Cb 1.33 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.88 1fex h ASP 7 CO 0.45 0.00 -0.05 0.00 -1.72 0.00 0.00 179.24 177.92 1fex h ALA 8 N 1.92 0.01 0.00 3.45 0.00 -2.01 -2.89 119.26 119.75 1fex h ALA 8 Ca 0.06 -0.37 -0.00 0.00 0.00 0.00 0.00 54.91 54.60 1fex h ALA 8 Cb 0.26 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 1fex h ALA 8 CO -0.00 -0.10 -0.01 -0.44 0.00 0.00 0.00 179.25 178.70 1fex h ASP 9 N -0.64 0.00 0.00 0.00 5.19 -1.78 -2.33 116.42 116.86 1fex h ASP 9 Ca -0.00 0.00 -0.18 0.00 -0.62 0.00 0.00 57.03 56.23 1fex h ASP 9 Cb 0.76 0.00 0.01 0.00 0.18 0.00 0.00 39.33 40.28 1fex h ASP 9 CO 0.01 0.01 -0.69 0.44 -3.12 0.00 0.00 179.24 175.89 1fex h ASP 10 N 0.00 0.60 0.11 6.45 3.32 -1.39 -2.93 116.42 122.58 1fex h ASP 10 Ca -0.00 -0.76 -0.03 0.00 0.02 0.00 0.00 57.03 56.25 1fex h ASP 10 Cb 0.02 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.39 1fex h ASP 10 CO 0.00 1.28 -0.13 0.58 -1.72 0.00 0.00 179.24 179.25 1fex h VAL 11 N -0.02 1.12 -0.13 -1.35 2.07 -1.21 -1.73 116.25 114.99 1fex h VAL 11 Ca -0.09 -0.54 -0.07 0.00 0.82 0.00 0.00 66.70 66.82 1fex h VAL 11 Cb 1.39 1.24 -0.00 0.00 -1.52 0.00 0.00 31.29 32.41 1fex h VAL 11 CO 0.14 0.16 -0.20 0.00 0.02 0.00 0.00 177.57 177.68 1fex h ALA 12 N 1.82 0.19 -0.14 1.67 0.00 -1.48 -0.03 119.26 121.29 1fex h ALA 12 Ca 0.01 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 1fex h ALA 12 Cb 0.27 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1fex h ALA 12 CO 0.02 0.13 0.06 0.82 0.00 0.00 0.00 179.25 180.28 1fex h ILE 13 N -0.05 1.15 0.41 0.00 2.04 -1.30 0.25 117.51 120.01 1fex h ILE 13 Ca 0.01 -0.44 -0.02 0.00 1.00 0.00 0.00 64.86 65.41 1fex h ILE 13 Cb 0.77 1.17 0.00 0.00 -0.74 0.00 0.00 36.82 38.03 1fex h ILE 13 CO 0.05 0.14 -0.20 0.25 0.00 0.00 0.00 178.15 178.39 1fex h LEU 14 N 0.08 -0.47 -0.90 1.44 5.85 -1.37 0.20 115.31 120.15 1fex h LEU 14 Ca 0.05 -0.06 0.05 0.00 0.84 0.00 0.00 57.88 58.76 1fex h LEU 14 Cb 0.16 0.12 -0.06 0.00 0.37 0.00 0.00 40.66 41.25 1fex h LEU 14 CO -0.00 -0.23 0.57 0.74 -0.34 0.00 0.00 178.44 179.18 1fex h THR 15 N -0.69 1.09 -0.21 1.05 2.02 -0.96 0.87 112.91 116.07 1fex h THR 15 Ca -0.06 -0.37 -0.10 0.00 0.77 0.00 0.00 66.41 66.66 1fex h THR 15 Cb 0.50 -0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 66.82 1fex h THR 15 CO 0.09 0.19 -0.29 0.22 0.37 0.00 0.00 175.52 176.11 1fex h TYR 16 N 1.07 0.47 0.00 3.16 5.03 -0.35 -2.53 116.97 123.82 1fex h TYR 16 Ca 0.38 -0.11 -0.06 0.00 2.58 0.00 0.00 58.73 61.53 1fex h TYR 16 Cb 0.12 -0.11 -0.01 0.00 1.55 0.00 0.00 36.73 38.27 1fex h TYR 16 CO -0.02 0.67 -0.45 0.28 -1.32 0.00 0.00 178.16 177.32 1fex h VAL 17 N 0.36 0.62 -0.27 1.81 2.07 -0.04 -2.87 116.25 117.94 1fex h VAL 17 Ca 0.05 -1.58 0.08 0.00 0.82 0.00 0.00 66.70 66.06 1fex h VAL 17 Cb 0.70 1.29 -0.01 0.00 -1.52 0.00 0.00 31.29 31.75 1fex h VAL 17 CO 0.05 0.21 0.43 0.50 0.02 0.00 0.00 177.57 178.78 1fex h LYS 18 N -1.00 0.00 0.02 1.57 3.11 0.64 0.52 116.57 121.43 1fex h LYS 18 Ca -0.09 0.00 -0.26 0.00 -2.81 0.00 0.00 60.65 57.50 1fex h LYS 18 Cb 0.68 0.00 -0.03 0.00 -1.00 0.00 0.00 32.23 31.88 1fex h LYS 18 CO -0.05 0.00 -1.40 0.39 -2.81 0.00 0.00 179.45 175.58 1fex n GLU 19 N -3.39 0.59 -0.05 1.90 1.02 -0.95 -4.65 120.64 115.12 1fex n GLU 19 Ca 0.04 0.53 -0.00 0.00 -0.02 0.00 0.00 57.16 57.70 1fex n GLU 19 Cb 0.56 -1.74 -0.00 0.00 -0.02 0.00 0.00 31.44 30.24 1fex n GLU 19 CO 0.00 0.00 0.00 -0.91 1.18 0.00 0.00 177.13 177.40 1fex h ASN 20 N -0.84 0.00 -0.47 1.62 2.35 -1.16 -3.44 115.58 113.64 1fex h ASN 20 Ca -0.37 0.00 -0.49 0.00 -0.55 0.00 0.00 56.30 54.89 1fex h ASN 20 Cb 1.42 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 39.73 1fex h ASN 20 CO -0.17 0.51 1.72 0.00 -1.65 0.00 0.00 177.43 177.84 1fex n ALA 21 N -2.81 0.44 -2.34 -0.83 0.00 0.18 -4.67 120.51 110.47 1fex n ALA 21 Ca -0.00 -0.48 0.01 0.00 0.00 0.00 0.00 53.44 52.97 1fex n ALA 21 Cb 0.01 -2.55 -0.00 0.00 0.00 0.00 0.00 19.45 16.91 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 8.63 0.00 -3.47 0.00 0.63 -1.26 -4.76 116.66 116.43 1fex n ARG 22 Ca 0.58 -1.65 -0.11 0.00 -0.92 0.00 0.00 57.85 55.75 1fex n ARG 22 Cb 0.18 0.07 -0.02 0.00 0.45 0.00 0.00 32.46 33.14 1fex n ARG 22 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 1fex s SER 23 N -1.65 -0.49 -0.90 6.15 1.04 -1.26 -5.04 113.70 111.55 1fex s SER 23 Ca 0.23 -0.04 -0.12 0.00 0.48 0.00 0.00 55.95 56.49 1fex s SER 23 Cb 0.26 0.55 -0.09 0.00 0.10 0.00 0.00 66.02 66.85 1fex s SER 23 CO -0.12 -0.90 2.06 -0.81 0.98 0.00 0.00 173.24 174.45 1fex n PRO 24 N -0.35 1.92 0.00 4.02 -0.04 -1.26 -3.12 135.00 136.17 1fex n PRO 24 Ca -0.14 -1.67 0.00 0.00 -0.04 0.00 0.00 63.50 61.65 1fex n PRO 24 Cb 0.64 -2.68 0.00 0.00 -0.04 0.00 0.00 33.50 31.42 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 5.54 0.00 -0.31 3.54 2.88 -1.26 -4.85 113.62 119.17 1fex n SER 25 Ca 0.47 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.98 1fex n SER 25 Cb 0.25 0.10 0.08 0.00 -0.75 0.00 0.00 64.21 63.89 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 0.96 -0.65 -3.46 0.02 -1.95 -1.27 113.55 107.21 1fex h SER 26 Ca 0.00 -0.03 -0.26 0.00 -0.84 0.00 0.00 61.79 60.67 1fex h SER 26 Cb 0.00 -0.24 -0.15 0.00 0.14 0.00 0.00 62.40 62.15 1fex h SER 26 CO 0.00 0.70 0.25 1.33 -1.14 0.00 0.00 176.83 177.96 1fex n VAL 27 N -4.50 2.83 -1.75 2.27 0.24 -1.26 -3.96 118.33 112.19 1fex n VAL 27 Ca 0.09 -2.02 0.00 0.00 -2.04 0.00 0.00 64.34 60.36 1fex n VAL 27 Cb 0.02 -0.36 0.00 0.00 -1.47 0.00 0.00 33.84 32.02 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 -0.70 0.00 -1.84 3.34 -1.04 -0.87 -4.90 114.28 108.28 1fex n THR 28 Ca 0.41 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.42 1fex n THR 28 Cb 1.31 0.42 0.00 0.00 -1.82 0.00 0.00 70.33 70.25 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 0.00 0.16 2.25 3.41 0.00 -0.53 -4.88 105.19 105.61 1fex n GLY 29 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 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 -3.14 -0.05 1.61 3.02 -1.26 -4.84 115.26 110.61 1fex n ASN 30 Ca 0.00 0.25 -0.03 0.00 -0.03 0.00 0.00 54.58 54.77 1fex n ASN 30 Cb 0.58 -2.79 -0.01 0.00 -0.61 0.00 0.00 39.78 36.95 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 1.02 0.00 -0.10 5.41 0.00 -1.79 -3.09 119.26 120.70 1fex h ALA 31 Ca -0.23 -0.37 0.03 0.00 0.00 0.00 0.00 54.91 54.34 1fex h ALA 31 Cb 1.02 0.30 -0.00 0.00 0.00 0.00 0.00 17.79 19.11 1fex h ALA 31 CO 0.29 0.30 0.26 1.25 0.00 0.00 0.00 179.25 181.35 1fex h LEU 32 N -0.70 0.00 0.00 0.00 5.85 -1.86 -1.60 115.31 117.00 1fex h LEU 32 Ca 0.00 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.66 1fex h LEU 32 Cb 0.30 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.32 1fex h LEU 32 CO 0.00 0.00 -0.36 -0.50 -0.34 0.00 0.00 178.44 177.24 1fex h TRP 33 N 0.00 0.00 -1.00 1.25 4.06 -1.81 -2.81 115.95 115.63 1fex h TRP 33 Ca 0.05 0.00 0.08 0.00 2.06 0.00 0.00 58.89 61.08 1fex h TRP 33 Cb 0.57 0.00 -0.07 0.00 -1.00 0.00 0.00 29.16 28.66 1fex h TRP 33 CO 0.00 0.94 0.64 0.87 -3.56 0.00 0.00 178.44 177.33 1fex h LYS 34 N -1.00 1.09 -0.22 0.49 1.79 -1.32 -1.01 116.57 116.39 1fex h LYS 34 Ca -0.09 -0.07 -0.14 0.00 -2.18 0.00 0.00 60.65 58.18 1fex h LYS 34 Cb 0.92 -0.24 -0.01 0.00 -1.58 0.00 0.00 32.23 31.32 1fex h LYS 34 CO -0.06 0.72 -0.43 0.00 -1.08 0.00 0.00 179.45 178.60 1fex h ALA 35 N 1.48 0.84 -0.53 3.86 0.00 -1.45 -2.98 119.26 120.49 1fex h ALA 35 Ca 0.45 -0.45 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1fex h ALA 35 Cb 0.27 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1fex h ALA 35 CO -0.20 0.65 0.27 1.98 0.00 0.00 0.00 179.25 181.95 1fex h MET 36 N 0.44 0.75 -0.70 0.00 1.85 -0.94 0.83 114.93 117.16 1fex h MET 36 Ca 0.03 -0.10 -0.00 0.00 -0.61 0.00 0.00 59.70 59.02 1fex h MET 36 Cb 0.93 -0.14 -0.03 0.00 0.43 0.00 0.00 31.60 32.79 1fex h MET 36 CO 0.08 0.61 0.43 1.49 -0.40 0.00 0.00 176.91 179.12 1fex h GLU 37 N 0.71 0.95 0.00 0.39 4.81 -1.24 -0.25 114.58 119.95 1fex h GLU 37 Ca 0.18 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.34 1fex h GLU 37 Cb 0.09 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.27 1fex h GLU 37 CO -0.03 0.66 -0.89 1.17 -0.73 0.00 0.00 179.01 179.19 1fex n LYS 38 N -4.40 0.44 -0.03 1.92 4.81 -0.96 -4.35 118.16 115.59 1fex n LYS 38 Ca 0.07 0.08 -0.02 0.00 -0.87 0.00 0.00 58.31 57.58 1fex n LYS 38 Cb 0.06 -1.73 -0.01 0.00 0.02 0.00 0.00 35.03 33.37 1fex n LYS 38 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 1fex h SER 39 N 0.00 0.00 -1.42 3.14 0.87 0.12 -3.48 113.55 112.79 1fex h SER 39 Ca 0.00 0.00 -0.15 0.00 -1.23 0.00 0.00 61.79 60.41 1fex h SER 39 Cb 0.86 0.00 -0.25 0.00 -0.44 0.00 0.00 62.40 62.57 1fex h SER 39 CO 0.00 0.31 -0.52 -0.44 -0.53 0.00 0.00 176.83 175.65 1fex s SER 40 N -4.40 -0.39 -0.23 6.23 0.01 -0.15 -5.06 113.70 109.71 1fex s SER 40 Ca -0.05 -0.70 -0.22 0.00 1.31 0.00 0.00 55.95 56.29 1fex s SER 40 Cb 0.01 1.41 0.06 0.00 0.21 0.00 0.00 66.02 67.71 1fex s SER 40 CO 0.08 -0.26 0.63 -0.22 0.41 0.00 0.00 173.24 173.88 1fex s LEU 41 N 2.11 -0.41 0.00 2.44 1.98 -1.20 -4.79 118.68 118.81 1fex s LEU 41 Ca 0.13 1.23 -0.03 0.00 -2.89 0.00 0.00 54.13 52.58 1fex s LEU 41 Cb -0.10 2.17 0.05 0.00 0.66 0.00 0.00 46.19 48.97 1fex s LEU 41 CO -0.16 -0.24 0.11 0.35 -1.89 0.00 0.00 176.35 174.52 1fex n THR 42 N 2.64 0.00 -2.12 3.68 -2.24 -1.26 -4.69 114.28 110.29 1fex n THR 42 Ca -0.14 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.35 1fex n THR 42 Cb 0.56 -0.13 -0.05 0.00 -2.10 0.00 0.00 70.33 68.61 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 -2.79 2.67 0.16 -0.78 -0.21 -1.26 -4.87 119.66 112.58 1fex s GLN 43 Ca 0.09 -0.78 -0.14 0.00 0.02 0.00 0.00 55.36 54.55 1fex s GLN 43 Cb -0.02 -5.18 0.02 0.00 1.00 0.00 0.00 33.01 28.83 1fex s GLN 43 CO 0.07 -3.49 0.40 -1.01 -2.12 0.00 0.00 175.29 169.14 1fex s HIS 44 N 9.84 0.01 0.14 0.91 3.76 -1.26 -5.00 115.29 123.68 1fex s HIS 44 Ca 0.67 -0.36 -0.07 0.00 -0.15 0.00 0.00 55.06 55.15 1fex s HIS 44 Cb -0.03 0.20 -0.06 0.00 1.11 0.00 0.00 32.58 33.80 1fex s HIS 44 CO 0.05 -0.77 0.41 -1.54 -0.85 0.00 0.00 174.74 172.04 1fex s SER 45 N -2.88 6.56 0.40 1.40 1.04 -1.26 -4.94 113.70 114.02 1fex s SER 45 Ca 0.09 0.71 0.10 0.00 0.48 0.00 0.00 55.95 57.33 1fex s SER 45 Cb 0.01 -2.14 0.89 0.00 0.10 0.00 0.00 66.02 64.88 1fex s SER 45 CO -0.05 0.07 1.97 4.11 0.98 0.00 0.00 173.24 180.31 1fex h TRP 46 N 3.06 0.60 -0.21 5.02 5.08 -1.93 -1.41 115.95 126.16 1fex h TRP 46 Ca -0.47 0.02 -0.14 0.00 1.08 0.00 0.00 58.89 59.38 1fex h TRP 46 Cb 1.17 -0.20 -0.01 0.00 -3.00 0.00 0.00 29.16 27.13 1fex h TRP 46 CO 0.63 0.30 -0.45 0.37 -1.28 0.00 0.00 178.44 178.01 1fex h GLN 47 N 0.58 0.53 0.69 0.12 4.15 -1.93 -1.62 115.11 117.62 1fex h GLN 47 Ca 0.30 -0.29 -0.03 0.00 0.77 0.00 0.00 58.65 59.40 1fex h GLN 47 Cb 0.41 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.10 1fex h GLN 47 CO -0.09 0.87 -0.49 1.03 -1.93 0.00 0.00 178.83 178.22 1fex h SER 48 N 0.42 -1.28 0.35 -0.69 0.87 -1.65 0.35 113.55 111.94 1fex h SER 48 Ca 0.03 0.08 -0.03 0.00 -1.23 0.00 0.00 61.79 60.64 1fex h SER 48 Cb 0.96 0.39 -0.00 0.00 -0.44 0.00 0.00 62.40 63.31 1fex h SER 48 CO 0.09 -0.72 -0.13 0.17 -0.53 0.00 0.00 176.83 175.71 1fex h LEU 49 N -1.13 0.00 -0.43 2.23 -0.00 -1.59 -1.94 115.31 112.46 1fex h LEU 49 Ca -0.09 0.00 -0.16 0.00 -0.00 0.00 0.00 57.88 57.63 1fex h LEU 49 Cb 0.93 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.58 1fex h LEU 49 CO 0.05 0.13 -0.43 0.50 -0.00 0.00 0.00 178.44 178.69 1fex h LYS 50 N 0.00 0.85 -0.09 0.17 1.63 -0.47 -2.84 116.57 115.83 1fex h LYS 50 Ca -0.00 -0.47 -0.08 0.00 -0.85 0.00 0.00 60.65 59.25 1fex h LYS 50 Cb 0.34 0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 31.99 1fex h LYS 50 CO 0.02 1.11 -0.32 0.22 -3.45 0.00 0.00 179.45 177.02 1fex h ASP 51 N 0.69 0.18 0.13 4.20 3.58 0.43 -2.41 116.42 123.21 1fex h ASP 51 Ca 0.05 -0.06 -0.07 0.00 0.42 0.00 0.00 57.03 57.37 1fex h ASP 51 Cb 1.01 -0.05 -0.01 0.00 1.72 0.00 0.00 39.33 42.00 1fex h ASP 51 CO 0.10 0.50 -0.24 -0.09 -2.88 0.00 0.00 179.24 176.63 1fex h ARG 52 N 0.15 0.19 -0.55 0.28 9.65 -1.21 0.93 114.38 123.83 1fex h ARG 52 Ca 0.02 -0.06 -0.12 0.00 -1.10 0.00 0.00 59.98 58.73 1fex h ARG 52 Cb 0.66 -0.02 -0.02 0.00 -1.39 0.00 0.00 29.97 29.20 1fex h ARG 52 CO 0.05 0.42 -0.12 -0.92 2.80 0.00 0.00 179.97 182.20 1fex h TYR 53 N 0.17 1.17 0.00 2.20 3.20 -1.25 -3.12 116.97 119.34 1fex h TYR 53 Ca 0.03 -0.25 -0.06 0.00 3.14 0.00 0.00 58.73 61.59 1fex h TYR 53 Cb 0.52 -0.29 -0.01 0.00 1.54 0.00 0.00 36.73 38.49 1fex h TYR 53 CO 0.01 1.08 -1.19 1.28 -1.64 0.00 0.00 178.16 177.69 1fex n LEU 54 N -4.14 0.81 0.25 2.82 4.77 -1.01 -0.87 117.00 119.65 1fex n LEU 54 Ca 0.01 0.33 -0.13 0.00 -0.03 0.00 0.00 56.01 56.20 1fex n LEU 54 Cb 0.41 -0.01 -0.06 0.00 -2.33 0.00 0.00 43.42 41.43 1fex n LEU 54 CO 0.46 -0.06 0.52 0.11 -1.33 0.00 0.00 177.39 177.08 1fex h LYS 55 N 0.00 -0.72 0.00 3.23 1.79 0.95 -3.42 116.57 118.40 1fex h LYS 55 Ca -0.06 0.05 -0.00 0.00 -2.18 0.00 0.00 60.65 58.46 1fex h LYS 55 Cb 1.21 0.16 -0.01 0.00 -1.58 0.00 0.00 32.23 32.01 1fex h LYS 55 CO 0.02 -0.48 -0.26 -2.39 -1.08 0.00 0.00 179.45 175.25 1fex n HIS 56 N -4.38 0.00 -0.04 -1.35 1.44 -1.22 -4.97 115.22 104.70 1fex n HIS 56 Ca -0.09 -0.01 -0.03 0.00 -2.01 0.00 0.00 57.72 55.58 1fex n HIS 56 Cb 0.32 0.10 -0.01 0.00 0.12 0.00 0.00 29.99 30.52 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 0.01 0.95 0.00 2.39 4.77 -1.18 -4.99 117.00 118.95 1fex n LEU 57 Ca -0.00 0.36 -0.24 0.00 -0.03 0.00 0.00 56.01 56.10 1fex n LEU 57 Cb 0.61 -0.67 0.18 0.00 -2.33 0.00 0.00 43.42 41.21 1fex n LEU 57 CO -0.00 -0.46 0.59 -1.14 -1.33 0.00 0.00 177.39 175.06 1fex n ARG 58 N -3.48 -1.90 0.00 3.23 0.63 -0.05 -5.04 116.66 110.05 1fex n ARG 58 Ca -0.05 -1.52 0.00 0.00 -0.92 0.00 0.00 57.85 55.36 1fex n ARG 58 Cb 0.18 -1.21 0.00 0.00 0.45 0.00 0.00 32.46 31.88 1fex n ARG 58 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53