#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 4.71 0.00 1.61 1.74 -1.26 -5.04 116.66 118.42 1fex n ARG 2 Ca 0.00 -4.65 0.00 0.00 -0.77 0.00 0.00 57.85 52.43 1fex n ARG 2 Cb 0.00 -2.45 0.00 0.00 -1.02 0.00 0.00 32.46 28.99 1fex n ARG 2 CO 0.00 0.00 0.00 1.51 -1.52 0.00 0.00 177.63 177.62 1fex n ILE 3 N 0.45 0.00 -4.13 0.55 3.06 -1.26 -4.90 119.36 113.13 1fex n ILE 3 Ca 0.37 0.00 -0.11 0.00 -2.50 0.00 0.00 62.75 60.51 1fex n ILE 3 Cb 0.31 0.00 -0.10 0.00 0.54 0.00 0.00 39.64 40.38 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 -1.32 0.79 -0.02 1.51 0.00 -1.26 -5.16 121.76 116.31 1fex s ALA 4 Ca 0.00 -1.17 0.07 0.00 0.00 0.00 0.00 51.96 50.87 1fex s ALA 4 Cb 0.00 0.14 -0.02 0.00 0.00 0.00 0.00 23.12 23.24 1fex s ALA 4 CO 0.00 -0.20 -0.24 -0.06 0.00 0.00 0.00 175.76 175.26 1fex s PHE 5 N -3.04 2.38 0.00 0.00 0.08 -1.26 -5.09 117.98 111.05 1fex s PHE 5 Ca 0.05 -0.40 0.00 0.00 0.12 0.00 0.00 56.93 56.70 1fex s PHE 5 Cb 0.01 -1.52 0.00 0.00 -0.57 0.00 0.00 43.02 40.95 1fex s PHE 5 CO -0.04 -0.01 0.00 0.25 -0.10 0.00 0.00 175.22 175.32 1fex n THR 6 N 2.42 0.00 0.09 0.64 -2.24 -1.26 -4.99 114.28 108.94 1fex n THR 6 Ca -0.16 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.57 1fex n THR 6 Cb 0.51 -0.36 0.11 0.00 -2.10 0.00 0.00 70.33 68.50 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 0.24 -0.18 3.42 5.19 -2.00 -2.93 116.42 120.16 1fex h ASP 7 Ca 0.00 -0.14 -0.15 0.00 -0.62 0.00 0.00 57.03 56.11 1fex h ASP 7 Cb 0.00 -0.07 -0.01 0.00 0.18 0.00 0.00 39.33 39.43 1fex h ASP 7 CO 0.00 0.81 -0.43 0.00 -3.12 0.00 0.00 179.24 176.50 1fex h ALA 8 N 1.19 0.69 -0.66 3.45 0.00 -2.00 -2.90 119.26 119.03 1fex h ALA 8 Ca -0.01 -0.46 -0.06 0.00 0.00 0.00 0.00 54.91 54.37 1fex h ALA 8 Cb 1.15 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.80 1fex h ALA 8 CO 0.10 0.67 0.17 -0.44 0.00 0.00 0.00 179.25 179.75 1fex h ASP 9 N 0.59 0.97 -0.35 0.00 3.32 -1.93 0.13 116.42 119.16 1fex h ASP 9 Ca 0.04 -0.19 -0.05 0.00 0.02 0.00 0.00 57.03 56.85 1fex h ASP 9 Cb 0.99 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 40.26 1fex h ASP 9 CO 0.09 0.93 0.06 0.44 -1.72 0.00 0.00 179.24 179.04 1fex h ASP 10 N 0.99 0.63 0.80 6.45 3.32 -1.40 0.31 116.42 127.52 1fex h ASP 10 Ca 0.21 -0.12 -0.24 0.00 0.02 0.00 0.00 57.03 56.91 1fex h ASP 10 Cb 0.33 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 1fex h ASP 10 CO -0.00 0.66 -1.10 0.58 -1.72 0.00 0.00 179.24 177.67 1fex h VAL 11 N 0.65 1.60 0.03 -1.35 2.07 -1.25 -2.48 116.25 115.52 1fex h VAL 11 Ca 0.14 -3.19 -0.10 0.00 0.82 0.00 0.00 66.70 64.37 1fex h VAL 11 Cb 0.32 2.86 0.01 0.00 -1.52 0.00 0.00 31.29 32.96 1fex h VAL 11 CO 0.01 0.92 -0.39 0.00 0.02 0.00 0.00 177.57 178.12 1fex h ALA 12 N 0.81 0.00 -0.69 1.67 0.00 -0.65 -1.97 119.26 118.44 1fex h ALA 12 Ca -0.07 -0.54 -0.08 0.00 0.00 0.00 0.00 54.91 54.22 1fex h ALA 12 Cb 1.83 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 19.63 1fex h ALA 12 CO 0.16 0.18 0.14 0.82 0.00 0.00 0.00 179.25 180.55 1fex h ILE 13 N -0.50 1.26 0.50 0.00 2.04 -0.52 -1.90 117.51 118.39 1fex h ILE 13 Ca -0.06 -1.01 -0.02 0.00 1.00 0.00 0.00 64.86 64.76 1fex h ILE 13 Cb 1.20 0.59 0.00 0.00 -0.74 0.00 0.00 36.82 37.88 1fex h ILE 13 CO 0.08 0.38 -0.24 0.25 0.00 0.00 0.00 178.15 178.62 1fex h LEU 14 N 1.05 -0.57 -1.50 1.44 5.85 -1.53 0.15 115.31 120.20 1fex h LEU 14 Ca 0.21 0.02 0.28 0.00 0.84 0.00 0.00 57.88 59.23 1fex h LEU 14 Cb 0.41 0.15 -0.08 0.00 0.37 0.00 0.00 40.66 41.51 1fex h LEU 14 CO 0.01 -0.23 0.69 0.74 -0.34 0.00 0.00 178.44 179.31 1fex h THR 15 N -1.03 0.51 0.01 1.05 2.02 -1.39 0.60 112.91 114.69 1fex h THR 15 Ca -0.07 -0.11 -0.00 0.00 0.77 0.00 0.00 66.41 67.00 1fex h THR 15 Cb 0.52 0.17 0.00 0.00 -1.74 0.00 0.00 68.15 67.10 1fex h THR 15 CO 0.11 0.06 -0.00 0.22 0.37 0.00 0.00 175.52 176.28 1fex h TYR 16 N 0.31 -0.01 -0.48 3.16 5.03 -1.33 -2.77 116.97 120.89 1fex h TYR 16 Ca 0.58 -0.00 -0.06 0.00 2.58 0.00 0.00 58.73 61.83 1fex h TYR 16 Cb 1.62 0.00 -0.02 0.00 1.55 0.00 0.00 36.73 39.88 1fex h TYR 16 CO -0.00 0.83 0.04 0.28 -1.32 0.00 0.00 178.16 177.99 1fex h VAL 17 N -0.94 1.23 0.00 1.81 2.07 -0.13 -2.14 116.25 118.16 1fex h VAL 17 Ca -0.00 -0.90 -0.08 0.00 0.82 0.00 0.00 66.70 66.53 1fex h VAL 17 Cb 0.84 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 31.42 1fex h VAL 17 CO 0.00 0.32 -0.40 0.50 0.02 0.00 0.00 177.57 178.02 1fex h LYS 18 N 0.72 0.00 0.07 1.57 3.64 0.07 0.74 116.57 123.38 1fex h LYS 18 Ca 0.15 0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.42 1fex h LYS 18 Cb 0.38 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.21 1fex h LYS 18 CO 0.01 0.40 -0.49 0.93 -2.27 0.00 0.00 179.45 178.03 1fex h GLU 19 N 0.00 0.20 0.00 1.90 5.08 -1.15 -3.43 114.58 117.19 1fex h GLU 19 Ca -0.00 -0.32 0.00 0.00 -1.00 0.00 0.00 59.36 58.04 1fex h GLU 19 Cb 0.90 0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.26 1fex h GLU 19 CO 0.05 1.12 -0.84 0.09 -1.00 0.00 0.00 179.01 178.43 1fex n ASN 20 N -4.32 1.77 -4.56 1.42 3.02 -0.84 -4.80 115.26 106.94 1fex n ASN 20 Ca -0.12 0.36 -0.20 0.00 -0.03 0.00 0.00 54.58 54.59 1fex n ASN 20 Cb 0.67 -0.74 -0.06 0.00 -0.61 0.00 0.00 39.78 39.04 1fex n ASN 20 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1fex s ALA 21 N -2.89 0.96 0.00 5.41 0.00 0.25 -4.57 121.76 120.93 1fex s ALA 21 Ca -0.24 -0.60 0.21 0.00 0.00 0.00 0.00 51.96 51.32 1fex s ALA 21 Cb 0.03 -4.52 0.35 0.00 0.00 0.00 0.00 23.12 18.99 1fex s ALA 21 CO 0.36 -5.51 1.13 -2.13 0.00 0.00 0.00 175.76 169.62 1fex n ARG 22 N 8.88 0.00 -3.87 0.00 0.00 -1.26 -4.37 116.66 116.04 1fex n ARG 22 Ca 0.44 -1.80 -0.08 0.00 -0.00 0.00 0.00 57.85 56.40 1fex n ARG 22 Cb 0.46 -0.03 -0.01 0.00 0.00 0.00 0.00 32.46 32.89 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 -1.80 -0.08 -1.57 6.15 1.04 -1.26 -5.05 113.70 111.12 1fex s SER 23 Ca 0.28 -0.88 -0.11 0.00 0.48 0.00 0.00 55.95 55.71 1fex s SER 23 Cb 0.32 0.75 -0.05 0.00 0.10 0.00 0.00 66.02 67.14 1fex s SER 23 CO -0.14 -1.44 2.73 -0.81 0.98 0.00 0.00 173.24 174.55 1fex n PRO 24 N -0.48 3.43 0.19 4.02 -0.04 -1.26 -3.94 135.00 136.91 1fex n PRO 24 Ca -0.05 -2.33 0.00 0.00 -0.04 0.00 0.00 63.50 61.08 1fex n PRO 24 Cb 0.60 -2.96 0.00 0.00 -0.04 0.00 0.00 33.50 31.10 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 4.41 -3.25 0.12 3.54 7.64 -1.26 -4.78 113.62 120.04 1fex n SER 25 Ca 0.70 0.71 0.02 0.00 1.01 0.00 0.00 58.87 61.31 1fex n SER 25 Cb 0.28 3.12 0.37 0.00 -1.01 0.00 0.00 64.21 66.97 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 0.22 0.34 6.43 0.02 -1.93 -1.68 113.55 116.95 1fex h SER 26 Ca 0.00 -0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.90 1fex h SER 26 Cb 0.00 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.48 1fex h SER 26 CO 0.00 0.41 -1.32 1.33 -1.14 0.00 0.00 176.83 176.12 1fex n VAL 27 N -4.24 0.17 0.04 2.27 0.24 -1.26 -4.15 118.33 111.40 1fex n VAL 27 Ca -0.01 -0.34 -0.16 0.00 -2.04 0.00 0.00 64.34 61.79 1fex n VAL 27 Cb 0.30 0.15 -0.14 0.00 -1.47 0.00 0.00 33.84 32.67 1fex n VAL 27 CO 0.00 0.00 0.00 0.74 -2.14 0.00 0.00 176.83 175.43 1fex h THR 28 N 0.00 1.03 -2.10 3.34 2.02 -1.78 -3.47 112.91 111.94 1fex h THR 28 Ca 0.00 -2.71 0.00 0.00 0.77 0.00 0.00 66.41 64.47 1fex h THR 28 Cb 0.83 2.67 0.00 0.00 -1.74 0.00 0.00 68.15 69.91 1fex h THR 28 CO 0.00 0.79 0.00 0.61 0.37 0.00 0.00 175.52 177.29 1fex n GLY 29 N 1.70 1.75 1.89 2.16 0.00 -0.65 -5.03 105.19 107.02 1fex n GLY 29 Ca -0.19 -1.95 -0.11 0.00 0.00 0.00 0.00 46.02 43.77 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 3.28 -0.04 1.61 3.02 -1.26 -4.86 115.26 117.00 1fex n ASN 30 Ca 0.00 -3.26 -0.03 0.00 -0.03 0.00 0.00 54.58 51.26 1fex n ASN 30 Cb 0.00 -0.40 -0.01 0.00 -0.61 0.00 0.00 39.78 38.76 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 -0.67 0.29 -0.07 5.41 0.00 -1.26 -2.88 120.51 121.33 1fex n ALA 31 Ca 0.28 -0.32 0.23 0.00 0.00 0.00 0.00 53.44 53.64 1fex n ALA 31 Cb 0.89 0.01 0.70 0.00 0.00 0.00 0.00 19.45 21.05 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 -0.63 0.01 0.09 0.00 5.85 -1.89 0.44 115.31 119.17 1fex h LEU 32 Ca 0.00 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 1fex h LEU 32 Cb 0.33 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.36 1fex h LEU 32 CO 0.00 0.00 -0.04 -0.50 -0.34 0.00 0.00 178.44 177.56 1fex h TRP 33 N 0.01 -0.11 -0.98 1.25 4.06 -1.81 -2.92 115.95 115.46 1fex h TRP 33 Ca 0.32 -0.00 0.08 0.00 2.06 0.00 0.00 58.89 61.34 1fex h TRP 33 Cb 1.27 0.04 -0.07 0.00 -1.00 0.00 0.00 29.16 29.39 1fex h TRP 33 CO -0.00 0.14 0.62 0.87 -3.56 0.00 0.00 178.44 176.51 1fex h LYS 34 N -1.00 1.06 -0.92 0.49 1.79 -1.30 -0.84 116.57 115.84 1fex h LYS 34 Ca -0.01 -0.06 0.04 0.00 -2.18 0.00 0.00 60.65 58.44 1fex h LYS 34 Cb 0.31 -0.24 -0.05 0.00 -1.58 0.00 0.00 32.23 30.67 1fex h LYS 34 CO 0.02 0.70 0.60 0.00 -1.08 0.00 0.00 179.45 179.69 1fex h ALA 35 N 1.47 1.43 -0.46 3.86 0.00 -0.24 -1.41 119.26 123.90 1fex h ALA 35 Ca 0.44 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 55.20 1fex h ALA 35 Cb 0.25 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1fex h ALA 35 CO -0.20 0.47 -0.16 1.98 0.00 0.00 0.00 179.25 181.34 1fex h MET 36 N 1.14 0.89 -0.23 0.00 1.85 -0.97 -2.43 114.93 115.18 1fex h MET 36 Ca 0.37 -0.34 0.07 0.00 -0.61 0.00 0.00 59.70 59.19 1fex h MET 36 Cb 0.05 -0.05 -0.01 0.00 0.43 0.00 0.00 31.60 32.02 1fex h MET 36 CO -0.12 0.99 0.19 1.49 -0.40 0.00 0.00 176.91 179.05 1fex h GLU 37 N 0.79 0.00 0.00 0.39 4.81 -0.58 1.04 114.58 121.03 1fex h GLU 37 Ca 0.12 0.00 -0.23 0.00 -0.13 0.00 0.00 59.36 59.12 1fex h GLU 37 Cb 0.70 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.05 1fex h GLU 37 CO 0.05 0.00 -1.13 0.87 -0.73 0.00 0.00 179.01 178.07 1fex h LYS 38 N 0.00 0.01 -1.06 1.92 1.57 -1.17 -3.40 116.57 114.43 1fex h LYS 38 Ca 0.11 -0.01 -0.38 0.00 -1.87 0.00 0.00 60.65 58.49 1fex h LYS 38 Cb 0.48 0.01 -0.28 0.00 0.08 0.00 0.00 32.23 32.52 1fex h LYS 38 CO -0.00 0.92 -0.83 0.43 -0.57 0.00 0.00 179.45 179.39 1fex n SER 39 N -3.30 -0.92 -4.91 0.86 7.64 -0.18 -5.13 113.62 107.68 1fex n SER 39 Ca -0.03 -3.19 -0.27 0.00 1.01 0.00 0.00 58.87 56.39 1fex n SER 39 Cb 0.96 0.55 -0.02 0.00 -1.01 0.00 0.00 64.21 64.70 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 -1.69 6.34 0.18 6.43 1.04 0.34 -4.78 113.70 121.57 1fex s SER 40 Ca 0.32 0.74 0.04 0.00 0.48 0.00 0.00 55.95 57.54 1fex s SER 40 Cb 0.27 -2.16 0.04 0.00 0.10 0.00 0.00 66.02 64.27 1fex s SER 40 CO -0.11 -0.37 1.41 0.25 0.98 0.00 0.00 173.24 175.40 1fex h LEU 41 N 0.86 0.21 0.00 2.42 5.85 -1.96 -3.46 115.31 119.23 1fex h LEU 41 Ca -0.48 -0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.08 1fex h LEU 41 Cb 1.20 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.17 1fex h LEU 41 CO 0.63 0.94 0.00 0.35 -0.34 0.00 0.00 178.44 180.02 1fex n THR 42 N -3.67 0.00 -3.70 1.05 -2.24 -1.26 -5.08 114.28 99.37 1fex n THR 42 Ca -0.03 0.00 -0.37 0.00 -2.27 0.00 0.00 64.05 61.38 1fex n THR 42 Cb 0.78 -0.55 -0.10 0.00 -2.10 0.00 0.00 70.33 68.36 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 -0.58 2.39 0.17 -0.78 -0.21 -1.26 -5.05 119.66 114.34 1fex s GLN 43 Ca 0.00 -2.17 -0.19 0.00 0.02 0.00 0.00 55.36 53.02 1fex s GLN 43 Cb 0.00 -3.73 0.04 0.00 1.00 0.00 0.00 33.01 30.32 1fex s GLN 43 CO 0.00 -1.14 0.52 -1.01 -2.12 0.00 0.00 175.29 171.54 1fex s HIS 44 N 0.57 -0.25 0.40 0.91 3.76 -1.26 -5.15 115.29 114.28 1fex s HIS 44 Ca 0.12 -0.06 -0.02 0.00 -0.15 0.00 0.00 55.06 54.96 1fex s HIS 44 Cb -0.22 0.42 0.08 0.00 1.11 0.00 0.00 32.58 33.97 1fex s HIS 44 CO -0.04 -0.86 0.55 -1.13 -0.85 0.00 0.00 174.74 172.41 1fex n SER 45 N -0.33 0.60 -0.06 1.40 3.41 -1.26 -4.70 113.62 112.69 1fex n SER 45 Ca -0.13 -1.54 -0.13 0.00 -0.26 0.00 0.00 58.87 56.82 1fex n SER 45 Cb 0.63 -0.37 -0.14 0.00 -0.26 0.00 0.00 64.21 64.07 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 -2.28 0.59 0.01 7.33 4.27 -1.26 -3.86 117.44 122.23 1fex n TRP 46 Ca 0.09 0.18 -0.00 0.00 -3.89 0.00 0.00 57.50 53.87 1fex n TRP 46 Cb 0.31 -1.10 -0.00 0.00 -1.36 0.00 0.00 31.31 29.16 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 -0.03 -0.39 -2.67 4.15 -1.96 0.14 115.11 114.37 1fex h GLN 47 Ca -0.43 0.00 0.11 0.00 0.77 0.00 0.00 58.65 59.10 1fex h GLN 47 Cb 2.08 0.01 -0.02 0.00 0.21 0.00 0.00 27.48 29.76 1fex h GLN 47 CO 0.04 -0.02 0.38 1.03 -1.93 0.00 0.00 178.83 178.33 1fex h SER 48 N -0.03 0.00 0.74 -0.69 0.87 -1.93 0.46 113.55 112.98 1fex h SER 48 Ca -0.00 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.52 1fex h SER 48 Cb 0.02 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 61.99 1fex h SER 48 CO -0.00 0.00 -0.36 0.25 -0.53 0.00 0.00 176.83 176.19 1fex h LEU 49 N 0.00 -0.84 -0.86 2.23 7.12 -1.46 -1.42 115.31 120.07 1fex h LEU 49 Ca 0.19 0.03 -0.12 0.00 0.13 0.00 0.00 57.88 58.10 1fex h LEU 49 Cb 0.94 0.22 -0.02 0.00 -0.53 0.00 0.00 40.66 41.28 1fex h LEU 49 CO -0.00 -0.47 -0.55 0.50 -0.13 0.00 0.00 178.44 177.79 1fex h LYS 50 N -1.27 0.06 -0.32 1.25 3.11 0.01 -3.00 116.57 116.42 1fex h LYS 50 Ca -0.10 -0.04 -0.03 0.00 -2.81 0.00 0.00 60.65 57.67 1fex h LYS 50 Cb 0.76 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.98 1fex h LYS 50 CO 0.17 0.59 0.07 0.22 -2.81 0.00 0.00 179.45 177.68 1fex h ASP 51 N 0.05 0.50 0.13 4.20 1.82 -0.12 -2.67 116.42 120.33 1fex h ASP 51 Ca -0.00 -0.25 -0.06 0.00 -0.39 0.00 0.00 57.03 56.33 1fex h ASP 51 Cb 0.98 -0.13 -0.01 0.00 0.68 0.00 0.00 39.33 40.85 1fex h ASP 51 CO 0.07 0.62 -0.20 -0.09 -1.61 0.00 0.00 179.24 178.03 1fex h ARG 52 N 0.36 0.15 0.59 0.28 1.12 -1.23 -0.66 114.38 114.98 1fex h ARG 52 Ca 0.10 -0.04 -0.03 0.00 -1.11 0.00 0.00 59.98 58.90 1fex h ARG 52 Cb 0.32 -0.02 -0.00 0.00 -0.01 0.00 0.00 29.97 30.26 1fex h ARG 52 CO 0.00 0.35 -0.34 -0.92 -3.11 0.00 0.00 179.97 175.96 1fex h TYR 53 N 0.14 -0.90 0.00 2.20 3.20 -1.33 -2.59 116.97 117.69 1fex h TYR 53 Ca 0.03 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.87 1fex h TYR 53 Cb 0.45 0.32 -0.00 0.00 1.54 0.00 0.00 36.73 39.03 1fex h TYR 53 CO 0.00 -0.52 -0.08 -0.07 -1.64 0.00 0.00 178.16 175.86 1fex h LEU 54 N -0.86 0.00 -0.28 2.82 3.38 -1.53 -0.23 115.31 118.62 1fex h LEU 54 Ca -0.08 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 1fex h LEU 54 Cb 0.68 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 1fex h LEU 54 CO 0.09 0.08 0.17 0.11 0.09 0.00 0.00 178.44 178.98 1fex h LYS 55 N 0.00 0.37 0.00 1.13 1.79 -0.83 -3.42 116.57 115.61 1fex h LYS 55 Ca -0.00 -0.03 -0.12 0.00 -2.18 0.00 0.00 60.65 58.31 1fex h LYS 55 Cb 0.55 -0.08 -0.10 0.00 -1.58 0.00 0.00 32.23 31.02 1fex h LYS 55 CO 0.01 0.28 -0.07 -2.39 -1.08 0.00 0.00 179.45 176.21 1fex n HIS 56 N -4.87 -1.19 0.01 -1.35 1.44 -1.00 -5.02 115.22 103.24 1fex n HIS 56 Ca -0.02 -1.10 0.00 0.00 -2.01 0.00 0.00 57.72 54.59 1fex n HIS 56 Cb 0.05 1.26 0.00 0.00 0.12 0.00 0.00 29.99 31.42 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 -0.63 0.03 0.08 2.39 4.77 -0.13 -4.91 117.00 118.60 1fex n LEU 57 Ca -0.15 0.02 -0.13 0.00 -0.03 0.00 0.00 56.01 55.73 1fex n LEU 57 Cb 0.72 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.73 1fex n LEU 57 CO -0.09 -0.52 0.72 -0.09 -1.33 0.00 0.00 177.39 176.08 1fex h ARG 58 N 0.00 -0.16 -0.02 3.23 1.12 -1.78 -3.50 114.38 113.27 1fex h ARG 58 Ca 0.00 0.01 0.00 0.00 -1.11 0.00 0.00 59.98 58.88 1fex h ARG 58 Cb 0.00 0.04 0.00 0.00 -0.01 0.00 0.00 29.97 30.00 1fex h ARG 58 CO 0.00 0.06 0.00 0.41 -3.11 0.00 0.00 179.97 177.33