#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f4m h GLU 5 N 0.00 0.77 0.00 -1.09 5.08 -2.02 0.79 114.58 118.11 1f4m h GLU 5 Ca 0.00 -0.05 -0.07 0.00 -1.00 0.00 0.00 59.36 58.25 1f4m h GLU 5 Cb 0.00 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.07 1f4m h GLU 5 CO 0.00 0.51 -0.32 0.87 -1.00 0.00 0.00 179.01 179.07 1f4m h LYS 6 N 0.79 0.00 -0.04 2.33 1.57 -1.99 -2.25 116.57 116.98 1f4m h LYS 6 Ca 0.56 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 59.26 1f4m h LYS 6 Cb 0.82 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.14 1f4m h LYS 6 CO -0.37 0.32 -0.30 1.15 -0.57 0.00 0.00 179.45 179.68 1f4m h THR 7 N 0.00 1.46 -0.90 -0.16 2.02 -0.47 -1.80 112.91 113.07 1f4m h THR 7 Ca -0.00 -1.79 0.10 0.00 0.77 0.00 0.00 66.41 65.48 1f4m h THR 7 Cb 0.93 2.47 -0.08 0.00 -1.74 0.00 0.00 68.15 69.74 1f4m h THR 7 CO 0.04 0.51 0.54 0.40 0.37 0.00 0.00 175.52 177.38 1f4m h ILE 8 N -0.27 0.92 0.28 3.11 2.04 0.51 0.23 117.51 124.32 1f4m h ILE 8 Ca -0.03 -0.30 -0.01 0.00 1.00 0.00 0.00 64.86 65.52 1f4m h ILE 8 Cb 0.98 -0.04 0.00 0.00 -0.74 0.00 0.00 36.82 37.03 1f4m h ILE 8 CO 0.06 0.16 -0.13 0.25 0.00 0.00 0.00 178.15 178.49 1f4m h LEU 9 N 0.89 -0.31 -0.60 1.44 5.85 -1.43 -2.36 115.31 118.79 1f4m h LEU 9 Ca 0.43 -0.17 0.07 0.00 0.84 0.00 0.00 57.88 59.05 1f4m h LEU 9 Cb 0.39 0.08 -0.06 0.00 0.37 0.00 0.00 40.66 41.45 1f4m h LEU 9 CO -0.25 0.18 0.29 0.78 -0.34 0.00 0.00 178.44 179.10 1f4m h ASN 10 N -0.99 0.40 0.30 1.25 2.35 -1.18 -0.47 115.58 117.24 1f4m h ASN 10 Ca -0.04 0.04 -0.01 0.00 -0.55 0.00 0.00 56.30 55.74 1f4m h ASN 10 Cb 0.46 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.81 1f4m h ASN 10 CO 0.06 0.26 -0.14 0.24 -1.65 0.00 0.00 177.43 176.19 1f4m h MET 11 N 0.54 -0.39 -0.44 0.81 2.86 -0.67 -1.02 114.93 116.63 1f4m h MET 11 Ca 0.28 0.03 0.09 0.00 -2.06 0.00 0.00 59.70 58.03 1f4m h MET 11 Cb 0.23 0.09 -0.10 0.00 0.06 0.00 0.00 31.60 31.88 1f4m h MET 11 CO -0.21 -0.21 -0.31 0.00 1.06 0.00 0.00 176.91 177.23 1f4m h ALA 12 N 0.21 -0.12 0.00 6.32 0.00 -0.98 0.27 119.26 124.96 1f4m h ALA 12 Ca -0.04 0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1f4m h ALA 12 Cb 0.36 0.69 -0.00 0.00 0.00 0.00 0.00 17.79 18.84 1f4m h ALA 12 CO 0.07 -0.70 -0.09 -0.09 0.00 0.00 0.00 179.25 178.45 1f4m h ARG 13 N -0.22 0.00 0.14 0.00 2.43 -0.99 -2.00 114.38 113.74 1f4m h ARG 13 Ca 0.19 0.00 -0.26 0.00 -0.81 0.00 0.00 59.98 59.10 1f4m h ARG 13 Cb 0.53 0.00 0.03 0.00 -0.42 0.00 0.00 29.97 30.11 1f4m h ARG 13 CO -0.56 0.09 -1.11 0.35 -1.51 0.00 0.00 179.97 177.23 1f4m h PHE 14 N 0.00 0.85 -0.53 2.20 3.57 0.76 -3.17 116.94 120.61 1f4m h PHE 14 Ca -0.00 -0.56 -0.04 0.00 3.53 0.00 0.00 57.97 60.90 1f4m h PHE 14 Cb 0.19 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 38.85 1f4m h PHE 14 CO 0.00 1.41 0.17 0.82 -2.23 0.00 0.00 178.31 178.48 1f4m h ILE 15 N 0.04 1.23 -0.83 1.41 2.04 -0.42 -0.07 117.51 120.92 1f4m h ILE 15 Ca -0.18 -0.78 0.19 0.00 1.00 0.00 0.00 64.86 65.09 1f4m h ILE 15 Cb 1.82 0.73 -0.06 0.00 -0.74 0.00 0.00 36.82 38.58 1f4m h ILE 15 CO 0.21 0.29 0.56 -0.09 0.00 0.00 0.00 178.15 179.12 1f4m h ARG 16 N 0.74 0.34 0.21 2.37 2.43 -1.45 0.16 114.38 119.17 1f4m h ARG 16 Ca 0.17 -0.02 -0.28 0.00 -0.81 0.00 0.00 59.98 59.04 1f4m h ARG 16 Cb 0.27 -0.08 0.03 0.00 -0.42 0.00 0.00 29.97 29.78 1f4m h ARG 16 CO -0.01 0.23 -1.21 1.03 -1.51 0.00 0.00 179.97 178.50 1f4m h SER 17 N 0.35 0.71 -0.08 -3.80 0.87 -1.21 -3.26 113.55 107.13 1f4m h SER 17 Ca 0.42 -0.93 -0.07 0.00 -1.23 0.00 0.00 61.79 59.99 1f4m h SER 17 Cb 1.10 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 62.82 1f4m h SER 17 CO -0.13 1.59 -0.13 1.56 -0.53 0.00 0.00 176.83 179.18 1f4m h GLN 18 N -0.04 0.41 -0.31 2.24 4.20 0.12 -2.63 115.11 119.09 1f4m h GLN 18 Ca -0.21 -0.11 0.01 0.00 0.06 0.00 0.00 58.65 58.39 1f4m h GLN 18 Cb 1.96 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 29.67 1f4m h GLN 18 CO 0.23 0.55 0.20 0.00 -0.67 0.00 0.00 178.83 179.13 1f4m h ALA 19 N 1.48 0.39 -0.27 3.87 0.00 -0.81 -1.73 119.26 122.20 1f4m h ALA 19 Ca 0.07 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 1f4m h ALA 19 Cb 0.47 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1f4m h ALA 19 CO 0.03 -0.16 -0.25 -0.07 0.00 0.00 0.00 179.25 178.80 1f4m h LEU 20 N 0.40 0.52 -1.18 0.00 3.38 -1.56 0.10 115.31 116.98 1f4m h LEU 20 Ca 0.12 -0.18 0.03 0.00 0.09 0.00 0.00 57.88 57.94 1f4m h LEU 20 Cb -0.03 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.53 1f4m h LEU 20 CO -0.04 0.77 0.56 0.74 0.09 0.00 0.00 178.44 180.56 1f4m h THR 21 N 0.45 1.15 -0.06 0.22 2.02 -1.10 0.28 112.91 115.88 1f4m h THR 21 Ca 0.07 -0.37 -0.24 0.00 0.77 0.00 0.00 66.41 66.63 1f4m h THR 21 Cb 0.68 -0.02 0.01 0.00 -1.74 0.00 0.00 68.15 67.09 1f4m h THR 21 CO 0.05 0.20 -0.93 0.40 0.37 0.00 0.00 175.52 175.61 1f4m h ILE 22 N 1.08 1.30 -0.38 3.11 2.04 -0.81 -2.47 117.51 121.38 1f4m h ILE 22 Ca 0.34 -2.17 -0.00 0.00 1.00 0.00 0.00 64.86 64.02 1f4m h ILE 22 Cb 0.00 2.23 -0.02 0.00 -0.74 0.00 0.00 36.82 38.30 1f4m h ILE 22 CO -0.10 0.67 0.22 0.25 0.00 0.00 0.00 178.15 179.19 1f4m h LEU 23 N 0.42 0.46 -1.18 1.44 6.46 0.23 0.35 115.31 123.49 1f4m h LEU 23 Ca -0.09 -0.07 -0.08 0.00 -0.12 0.00 0.00 57.88 57.51 1f4m h LEU 23 Cb 1.56 -0.12 -0.01 0.00 -0.73 0.00 0.00 40.66 41.36 1f4m h LEU 23 CO 0.18 0.40 -0.31 -0.33 -0.62 0.00 0.00 178.44 177.76 1f4m h GLU 24 N 0.49 0.17 0.00 1.25 4.39 -0.53 -1.15 114.58 119.19 1f4m h GLU 24 Ca 0.13 -0.06 -0.19 0.00 0.34 0.00 0.00 59.36 59.58 1f4m h GLU 24 Cb 0.03 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.65 1f4m h GLU 24 CO -0.02 0.47 -0.90 0.87 -1.16 0.00 0.00 179.01 178.27 1f4m h LYS 25 N 0.15 0.03 -0.32 2.33 1.57 -0.93 -2.80 116.57 116.60 1f4m h LYS 25 Ca 0.02 -0.03 -0.17 0.00 -1.87 0.00 0.00 60.65 58.60 1f4m h LYS 25 Cb 0.63 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.94 1f4m h LYS 25 CO 0.05 0.90 -0.46 0.00 -0.57 0.00 0.00 179.45 179.37 1f4m h ALA 26 N 1.08 0.57 -0.56 3.86 0.00 0.06 -2.70 119.26 121.58 1f4m h ALA 26 Ca -0.02 -0.48 -0.02 0.00 0.00 0.00 0.00 54.91 54.39 1f4m h ALA 26 Cb 1.58 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 19.24 1f4m h ALA 26 CO 0.12 0.68 0.27 -0.91 0.00 0.00 0.00 179.25 179.41 1f4m h ASN 27 N 0.68 0.73 -0.76 0.00 2.35 -1.19 0.70 115.58 118.10 1f4m h ASN 27 Ca 0.04 -0.13 0.09 0.00 -0.55 0.00 0.00 56.30 55.74 1f4m h ASN 27 Cb 1.05 -0.19 -0.05 0.00 0.05 0.00 0.00 38.32 39.18 1f4m h ASN 27 CO 0.10 0.66 0.50 -0.33 -1.65 0.00 0.00 177.43 176.71 1f4m h GLU 28 N 0.76 0.69 -0.28 0.81 4.39 -1.40 -1.24 114.58 118.31 1f4m h GLU 28 Ca 0.19 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.85 1f4m h GLU 28 Cb 0.12 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 28.61 1f4m h GLU 28 CO -0.02 0.46 0.00 1.28 -1.16 0.00 0.00 179.01 179.56 1f4m n LEU 29 N -4.49 2.57 -1.76 1.33 4.77 -0.77 -4.95 117.00 113.70 1f4m n LEU 29 Ca 0.12 -1.09 -0.19 0.00 -0.03 0.00 0.00 56.01 54.82 1f4m n LEU 29 Cb 0.30 -0.18 -0.06 0.00 -2.33 0.00 0.00 43.42 41.15 1f4m n LEU 29 CO 0.33 0.55 -0.19 0.47 -1.33 0.00 0.00 177.39 177.21 1f4m n ASP 30 N 0.92 -5.00 -4.49 -1.43 8.00 0.12 -4.88 116.55 109.79 1f4m n ASP 30 Ca 0.18 0.35 -0.43 0.00 0.71 0.00 0.00 54.79 55.59 1f4m n ASP 30 Cb 0.47 -4.39 -0.02 0.00 -0.02 0.00 0.00 41.12 37.16 1f4m n ASP 30 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1f4m s ALA 31 N -2.66 3.41 0.35 2.24 0.00 -0.51 -4.82 121.76 119.76 1f4m s ALA 31 Ca 0.00 -2.85 0.26 0.00 0.00 0.00 0.00 51.96 49.37 1f4m s ALA 31 Cb 0.00 -4.25 1.31 0.00 0.00 0.00 0.00 23.12 20.17 1f4m s ALA 31 CO 0.00 -3.10 2.01 -0.44 0.00 0.00 0.00 175.76 174.23 1f4m h ASP 32 N 8.38 0.00 -0.14 0.00 3.32 -1.90 -2.34 116.42 123.75 1f4m h ASP 32 Ca 0.25 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 57.21 1f4m h ASP 32 Cb 0.96 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.51 1f4m h ASP 32 CO 1.26 0.15 -0.28 -0.08 -1.72 0.00 0.00 179.24 178.57 1f4m h GLU 33 N 0.00 0.43 -0.02 3.56 4.57 -1.97 -2.70 114.58 118.45 1f4m h GLU 33 Ca -0.00 -0.28 -0.14 0.00 -1.18 0.00 0.00 59.36 57.75 1f4m h GLU 33 Cb 0.44 0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 29.05 1f4m h GLU 33 CO 0.02 0.89 -0.65 0.82 -1.18 0.00 0.00 179.01 178.91 1f4m h ILE 34 N 0.04 1.44 -0.14 2.32 2.04 -1.95 -3.05 117.51 118.21 1f4m h ILE 34 Ca 0.00 -2.17 -0.09 0.00 1.00 0.00 0.00 64.86 63.60 1f4m h ILE 34 Cb 0.88 2.15 -0.01 0.00 -0.74 0.00 0.00 36.82 39.10 1f4m h ILE 34 CO 0.06 0.63 -0.33 0.00 0.00 0.00 0.00 178.15 178.50 1f4m h ALA 35 N 1.28 1.18 0.08 1.87 0.00 -1.42 -0.69 119.26 121.56 1f4m h ALA 35 Ca -0.01 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.53 1f4m h ALA 35 Cb 1.15 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1f4m h ALA 35 CO 0.09 0.54 -0.04 -0.44 0.00 0.00 0.00 179.25 179.40 1f4m h ASP 36 N 0.24 -0.09 -0.63 0.00 3.32 -1.38 -2.20 116.42 115.68 1f4m h ASP 36 Ca 0.03 -0.32 -0.01 0.00 0.02 0.00 0.00 57.03 56.74 1f4m h ASP 36 Cb 0.71 0.02 -0.03 0.00 0.22 0.00 0.00 39.33 40.26 1f4m h ASP 36 CO 0.05 0.28 0.34 0.40 -1.72 0.00 0.00 179.24 178.59 1f4m h ILE 37 N -0.48 1.20 -0.90 0.35 2.04 -1.48 -0.91 117.51 117.33 1f4m h ILE 37 Ca -0.01 -0.53 0.11 0.00 1.00 0.00 0.00 64.86 65.43 1f4m h ILE 37 Cb 0.41 0.40 -0.07 0.00 -0.74 0.00 0.00 36.82 36.83 1f4m h ILE 37 CO 0.02 0.23 0.58 0.00 0.00 0.00 0.00 178.15 178.97 1f4m h ALA 38 N 1.16 1.66 -0.39 1.87 0.00 -1.12 0.91 119.26 123.35 1f4m h ALA 38 Ca 0.22 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.97 1f4m h ALA 38 Cb 0.06 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1f4m h ALA 38 CO -0.03 0.15 -0.37 1.49 0.00 0.00 0.00 179.25 180.48 1f4m h GLU 39 N 0.86 0.94 0.13 0.00 4.57 -0.71 -1.06 114.58 119.31 1f4m h GLU 39 Ca 0.42 -0.49 -0.01 0.00 -1.18 0.00 0.00 59.36 58.11 1f4m h GLU 39 Cb 0.46 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.07 1f4m h GLU 39 CO -0.19 1.15 -0.06 1.03 -1.18 0.00 0.00 179.01 179.76 1f4m h SER 40 N 0.77 -0.15 -0.65 1.04 0.87 0.56 -0.47 113.55 115.53 1f4m h SER 40 Ca 0.06 -0.11 0.08 0.00 -1.23 0.00 0.00 61.79 60.60 1f4m h SER 40 Cb 0.97 0.04 -0.04 0.00 -0.44 0.00 0.00 62.40 62.93 1f4m h SER 40 CO 0.09 0.02 0.43 0.40 -0.53 0.00 0.00 176.83 177.24 1f4m h ILE 41 N -0.31 0.94 0.31 2.23 2.04 0.78 0.17 117.51 123.68 1f4m h ILE 41 Ca -0.02 -0.19 -0.02 0.00 1.00 0.00 0.00 64.86 65.64 1f4m h ILE 41 Cb 0.25 0.35 0.00 0.00 -0.74 0.00 0.00 36.82 36.68 1f4m h ILE 41 CO 0.03 0.10 -0.15 -0.74 0.00 0.00 0.00 178.15 177.39 1f4m h HIS 42 N 0.55 -0.39 -0.44 1.37 2.76 -0.67 -1.48 115.15 116.84 1f4m h HIS 42 Ca 0.29 -0.01 0.04 0.00 -2.20 0.00 0.00 60.37 58.50 1f4m h HIS 42 Cb 0.43 0.13 -0.04 0.00 1.55 0.00 0.00 27.41 29.48 1f4m h HIS 42 CO -0.00 -0.12 0.20 -0.44 -1.30 0.00 0.00 177.93 176.27 1f4m h ASP 43 N -0.61 0.27 -0.53 3.26 3.32 0.05 -1.06 116.42 121.11 1f4m h ASP 43 Ca -0.04 0.03 -0.04 0.00 0.02 0.00 0.00 57.03 57.00 1f4m h ASP 43 Cb 0.44 -0.01 -0.02 0.00 0.22 0.00 0.00 39.33 39.96 1f4m h ASP 43 CO 0.07 0.19 0.19 0.45 -1.72 0.00 0.00 179.24 178.42 1f4m h HIS 44 N 0.40 0.83 -0.80 4.55 3.86 -0.71 -2.42 115.15 120.86 1f4m h HIS 44 Ca 0.20 -0.07 -0.05 0.00 -1.16 0.00 0.00 60.37 59.29 1f4m h HIS 44 Cb 0.14 -0.24 -0.04 0.00 1.06 0.00 0.00 27.41 28.33 1f4m h HIS 44 CO -0.12 0.70 0.32 0.00 0.86 0.00 0.00 177.93 179.68 1f4m h ALA 45 N 1.04 1.04 -0.11 2.45 0.00 -1.01 -1.55 119.26 121.13 1f4m h ALA 45 Ca 0.17 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1f4m h ALA 45 Cb 0.24 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1f4m h ALA 45 CO -0.01 0.67 0.07 0.22 0.00 0.00 0.00 179.25 180.20 1f4m h ASP 46 N 1.17 0.13 0.31 0.00 3.58 -0.91 0.12 116.42 120.82 1f4m h ASP 46 Ca 0.27 -0.00 -0.08 0.00 0.42 0.00 0.00 57.03 57.63 1f4m h ASP 46 Cb 0.22 -0.03 -0.01 0.00 1.72 0.00 0.00 39.33 41.23 1f4m h ASP 46 CO -0.02 0.10 -0.36 -0.33 -2.88 0.00 0.00 179.24 175.75 1f4m h GLU 47 N 0.15 0.07 0.15 0.28 4.39 -0.80 -0.93 114.58 117.90 1f4m h GLU 47 Ca 0.04 -0.03 -0.29 0.00 0.34 0.00 0.00 59.36 59.42 1f4m h GLU 47 Cb -0.01 -0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.64 1f4m h GLU 47 CO -0.01 0.43 -1.37 0.82 -1.16 0.00 0.00 179.01 177.72 1f4m h ILE 48 N 0.07 1.37 -0.64 3.13 2.04 -0.73 -2.60 117.51 120.14 1f4m h ILE 48 Ca 0.01 -2.93 -0.01 0.00 1.00 0.00 0.00 64.86 62.93 1f4m h ILE 48 Cb 0.67 2.91 -0.03 0.00 -0.74 0.00 0.00 36.82 39.63 1f4m h ILE 48 CO 0.05 0.86 0.37 0.22 0.00 0.00 0.00 178.15 179.65 1f4m h TYR 49 N 0.09 0.86 -0.00 1.37 3.20 -0.48 0.30 116.97 122.30 1f4m h TYR 49 Ca -0.19 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.67 1f4m h TYR 49 Cb 2.02 -0.28 -0.00 0.00 1.54 0.00 0.00 36.73 40.01 1f4m h TYR 49 CO 0.08 0.60 0.00 0.00 -1.64 0.00 0.00 178.16 177.19 1f4m h ARG 50 N 0.87 0.00 -0.88 1.82 3.08 -1.24 -0.82 114.38 117.21 1f4m h ARG 50 Ca 0.23 -0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.25 1f4m h ARG 50 Cb 0.00 -0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.01 1f4m h ARG 50 CO -0.04 0.28 0.46 0.77 -1.07 0.00 0.00 179.97 180.37 1f4m h SER 51 N -0.28 1.13 -0.24 7.04 0.02 -1.27 -1.79 113.55 118.17 1f4m h SER 51 Ca 0.00 -0.12 -0.14 0.00 -0.84 0.00 0.00 61.79 60.69 1f4m h SER 51 Cb 0.28 -0.29 -0.01 0.00 0.14 0.00 0.00 62.40 62.52 1f4m h SER 51 CO 0.00 0.93 -0.36 0.00 -1.14 0.00 0.00 176.83 176.25 1f4m h ALA 52 N 1.25 0.73 -0.65 3.77 0.00 -0.38 0.59 119.26 124.58 1f4m h ALA 52 Ca 0.31 -0.43 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 1f4m h ALA 52 Cb 0.07 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1f4m h ALA 52 CO -0.04 0.66 0.31 1.25 0.00 0.00 0.00 179.25 181.43 1f4m h LEU 53 N 0.64 0.83 0.15 0.00 5.85 -0.65 -0.50 115.31 121.63 1f4m h LEU 53 Ca 0.06 -0.08 -0.30 0.00 0.84 0.00 0.00 57.88 58.40 1f4m h LEU 53 Cb 0.91 -0.21 0.01 0.00 0.37 0.00 0.00 40.66 41.73 1f4m h LEU 53 CO 0.08 0.70 -1.47 0.00 -0.34 0.00 0.00 178.44 177.41 1f4m h ALA 54 N 1.43 0.12 -0.05 1.25 0.00 -1.21 -1.94 119.26 118.86 1f4m h ALA 54 Ca 0.23 -1.05 -0.13 0.00 0.00 0.00 0.00 54.91 53.96 1f4m h ALA 54 Cb 0.09 0.41 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1f4m h ALA 54 CO -0.03 0.84 -0.56 -0.09 0.00 0.00 0.00 179.25 179.41 1f4m h ARG 55 N -0.14 0.16 0.00 0.00 9.65 -0.85 -3.35 114.38 119.86 1f4m h ARG 55 Ca -0.30 -0.10 -0.05 0.00 -1.10 0.00 0.00 59.98 58.42 1f4m h ARG 55 Cb 1.89 0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 30.47 1f4m h ARG 55 CO 0.12 0.68 -1.37 1.19 2.80 0.00 0.00 179.97 183.40 1f4m n PHE 56 N -3.90 0.00 0.00 2.20 0.99 -0.20 -5.06 117.46 111.49 1f4m n PHE 56 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.43 1f4m n PHE 56 Cb 0.58 -0.23 0.00 0.00 -1.00 0.00 0.00 39.48 38.83 1f4m n PHE 56 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17