#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f54 n SER 2 N 0.00 -0.53 -3.92 -3.46 3.41 -1.26 -5.05 113.62 102.81 1f54 n SER 2 Ca 0.00 0.13 -0.39 0.00 -0.26 0.00 0.00 58.87 58.35 1f54 n SER 2 Cb 0.00 0.82 0.02 0.00 -0.26 0.00 0.00 64.21 64.80 1f54 n SER 2 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1f54 n ASN 3 N -2.53 -4.28 -1.26 4.04 3.02 -1.26 -4.51 115.26 108.48 1f54 n ASN 3 Ca 0.00 -1.18 0.15 0.00 -0.03 0.00 0.00 54.58 53.52 1f54 n ASN 3 Cb 0.00 -2.41 -0.06 0.00 -0.61 0.00 0.00 39.78 36.70 1f54 n ASN 3 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 1f54 n LEU 4 N -4.67 -0.71 0.00 3.41 7.94 -1.26 -5.04 117.00 116.67 1f54 n LEU 4 Ca -0.12 1.62 0.00 0.00 -1.11 0.00 0.00 56.01 56.40 1f54 n LEU 4 Cb 0.58 -3.99 0.00 0.00 0.53 0.00 0.00 43.42 40.55 1f54 n LEU 4 CO 0.72 -2.36 0.00 0.41 -1.11 0.00 0.00 177.39 175.05 1f54 n THR 5 N -3.85 0.00 0.00 1.96 -1.04 -1.26 -5.02 114.28 105.07 1f54 n THR 5 Ca -0.03 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.98 1f54 n THR 5 Cb 0.64 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.15 1f54 n THR 5 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1f54 n GLU 6 N 0.00 0.00 -0.31 -2.82 1.02 -1.26 -2.02 120.64 115.25 1f54 n GLU 6 Ca 0.00 0.41 0.16 0.00 -0.02 0.00 0.00 57.16 57.71 1f54 n GLU 6 Cb 0.00 -1.38 0.32 0.00 -0.02 0.00 0.00 31.44 30.37 1f54 n GLU 6 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 1f54 h GLU 7 N 0.00 0.12 0.07 3.49 4.81 -2.00 -0.64 114.58 120.43 1f54 h GLU 7 Ca 0.00 -0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.23 1f54 h GLU 7 Cb 0.00 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.32 1f54 h GLU 7 CO 0.00 0.08 -0.39 0.37 -0.73 0.00 0.00 179.01 178.34 1f54 h GLN 8 N 0.12 -0.52 -1.04 1.92 5.75 -1.94 -0.14 115.11 119.27 1f54 h GLN 8 Ca 0.60 0.04 0.26 0.00 -0.15 0.00 0.00 58.65 59.40 1f54 h GLN 8 Cb 1.28 0.12 -0.10 0.00 1.07 0.00 0.00 27.48 29.85 1f54 h GLN 8 CO -0.75 -0.35 0.66 0.82 -2.65 0.00 0.00 178.83 176.56 1f54 h ILE 9 N -0.54 0.53 0.62 2.39 2.04 -0.51 -1.78 117.51 120.25 1f54 h ILE 9 Ca -0.00 -0.14 -0.03 0.00 1.00 0.00 0.00 64.86 65.69 1f54 h ILE 9 Cb 0.55 0.08 -0.00 0.00 -0.74 0.00 0.00 36.82 36.71 1f54 h ILE 9 CO -0.22 0.07 -0.39 0.00 0.00 0.00 0.00 178.15 177.62 1f54 h ALA 10 N 1.63 -1.19 -0.98 1.87 0.00 -0.41 -1.01 119.26 119.17 1f54 h ALA 10 Ca 0.60 -0.20 0.23 0.00 0.00 0.00 0.00 54.91 55.54 1f54 h ALA 10 Cb 1.48 0.51 -0.08 0.00 0.00 0.00 0.00 17.79 19.70 1f54 h ALA 10 CO -0.31 -1.16 0.64 0.93 0.00 0.00 0.00 179.25 179.35 1f54 h GLU 11 N -0.94 0.41 -0.45 0.00 5.08 -0.61 0.67 114.58 118.75 1f54 h GLU 11 Ca -0.08 -0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.22 1f54 h GLU 11 Cb 0.76 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.90 1f54 h GLU 11 CO 0.08 0.27 0.13 0.74 -1.00 0.00 0.00 179.01 179.23 1f54 h PHE 12 N 0.43 0.72 0.16 4.33 -1.00 -0.82 -2.63 116.94 118.12 1f54 h PHE 12 Ca 0.53 -0.08 0.01 0.00 2.81 0.00 0.00 57.97 61.25 1f54 h PHE 12 Cb 1.31 -0.21 -0.02 0.00 3.61 0.00 0.00 35.95 40.64 1f54 h PHE 12 CO -0.00 0.65 -0.21 -0.22 -1.61 0.00 0.00 178.31 176.92 1f54 h LYS 13 N 0.58 -0.41 -0.93 1.51 1.63 0.45 -0.09 116.57 119.32 1f54 h LYS 13 Ca 0.14 0.03 0.18 0.00 -0.85 0.00 0.00 60.65 60.15 1f54 h LYS 13 Cb 0.27 0.09 -0.11 0.00 -0.60 0.00 0.00 32.23 31.89 1f54 h LYS 13 CO -0.00 -0.27 0.51 1.49 -3.45 0.00 0.00 179.45 177.72 1f54 h GLU 14 N -0.43 0.62 0.00 1.90 4.57 -1.40 0.14 114.58 119.98 1f54 h GLU 14 Ca 0.01 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.15 1f54 h GLU 14 Cb 0.42 -0.14 0.00 0.00 -0.16 0.00 0.00 28.75 28.87 1f54 h GLU 14 CO -0.08 0.41 0.00 0.00 -1.18 0.00 0.00 179.01 178.16 1f54 n ALA 15 N -2.39 -0.27 -0.32 2.92 0.00 -0.75 -0.55 120.51 119.14 1f54 n ALA 15 Ca 0.21 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.72 1f54 n ALA 15 Cb 0.55 0.00 0.16 0.00 0.00 0.00 0.00 19.45 20.16 1f54 n ALA 15 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1f54 h PHE 16 N 0.00 -0.35 0.00 0.00 3.57 -0.90 1.66 116.94 120.92 1f54 h PHE 16 Ca 0.00 0.08 -0.03 0.00 3.53 0.00 0.00 57.97 61.55 1f54 h PHE 16 Cb 0.00 0.30 -0.00 0.00 2.79 0.00 0.00 35.95 39.03 1f54 h PHE 16 CO 0.13 -0.39 -0.15 0.00 -2.23 0.00 0.00 178.31 175.67 1f54 h ALA 17 N 1.91 1.09 0.00 2.41 0.00 -0.78 -2.61 119.26 121.28 1f54 h ALA 17 Ca 0.47 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.24 1f54 h ALA 17 Cb 0.80 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 1f54 h ALA 17 CO -0.91 0.18 -0.02 1.25 0.00 0.00 0.00 179.25 179.75 1f54 h LEU 18 N 0.00 0.00 -2.99 0.00 6.46 0.50 -2.10 115.31 117.18 1f54 h LEU 18 Ca -0.00 0.00 -0.00 0.00 -0.12 0.00 0.00 57.88 57.76 1f54 h LEU 18 Cb 0.56 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 40.49 1f54 h LEU 18 CO 0.02 0.02 -0.19 0.49 -0.62 0.00 0.00 178.44 178.16 1f54 n PHE 19 N -3.44 0.00 -2.62 1.25 3.01 -0.99 -4.96 117.46 109.71 1f54 n PHE 19 Ca -0.02 -1.18 -0.41 0.00 1.01 0.00 0.00 57.45 56.85 1f54 n PHE 19 Cb 0.13 -0.19 -0.03 0.00 -0.01 0.00 0.00 39.48 39.38 1f54 n PHE 19 CO 0.00 0.00 0.00 0.16 1.01 0.00 0.00 176.76 177.93 1f54 s ASP 20 N -3.00 6.33 0.25 4.37 -4.77 -0.79 -4.75 116.67 114.31 1f54 s ASP 20 Ca 0.34 -1.02 0.03 0.00 -3.30 0.00 0.00 52.55 48.61 1f54 s ASP 20 Cb 0.31 -2.54 0.31 0.00 -1.09 0.00 0.00 42.92 39.92 1f54 s ASP 20 CO -0.01 -1.61 1.62 0.50 0.70 0.00 0.00 175.17 176.37 1f54 h LYS 21 N 9.80 0.33 0.00 2.11 3.64 -1.90 -2.50 116.57 128.05 1f54 h LYS 21 Ca -0.06 -0.18 0.00 0.00 -1.27 0.00 0.00 60.65 59.13 1f54 h LYS 21 Cb 1.03 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.87 1f54 h LYS 21 CO 1.31 0.75 0.00 -3.47 -2.27 0.00 0.00 179.45 175.77 1f54 n ASP 22 N -3.97 0.00 -3.20 4.20 -0.08 -1.26 -4.86 116.55 107.37 1f54 n ASP 22 Ca -0.02 -0.02 -0.20 0.00 -1.51 0.00 0.00 54.79 53.04 1f54 n ASP 22 Cb 0.54 -0.30 -0.01 0.00 2.34 0.00 0.00 41.12 43.69 1f54 n ASP 22 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 1f54 n ASN 23 N -1.30 -3.20 0.00 1.67 2.85 -0.94 -4.75 115.26 109.59 1f54 n ASN 23 Ca 0.11 -0.25 0.00 0.00 -0.11 0.00 0.00 54.58 54.33 1f54 n ASN 23 Cb 0.19 -2.69 0.00 0.00 1.24 0.00 0.00 39.78 38.52 1f54 n ASN 23 CO 0.00 0.00 0.00 -0.46 -2.11 0.00 0.00 177.26 174.69 1f54 n ASN 24 N -2.12 0.95 0.00 1.20 0.23 -1.26 -4.98 115.26 109.29 1f54 n ASN 24 Ca -0.02 -1.29 0.00 0.00 -0.53 0.00 0.00 54.58 52.74 1f54 n ASN 24 Cb 0.54 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.24 1f54 n ASN 24 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1f54 n GLY 25 N -0.15 1.55 3.04 4.83 0.00 -1.26 -5.06 105.19 108.15 1f54 n GLY 25 Ca 0.00 -0.23 -0.12 0.00 0.00 0.00 0.00 46.02 45.67 1f54 n GLY 25 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1f54 s SER 26 N -2.25 -0.08 0.16 1.61 1.04 -1.26 -2.61 113.70 110.30 1f54 s SER 26 Ca 0.00 0.11 0.03 0.00 0.48 0.00 0.00 55.95 56.57 1f54 s SER 26 Cb 0.00 0.26 -0.05 0.00 0.10 0.00 0.00 66.02 66.33 1f54 s SER 26 CO 0.00 -0.15 -0.05 0.27 0.98 0.00 0.00 173.24 174.29 1f54 s ILE 27 N -0.40 0.91 0.35 -1.02 -4.36 -0.01 -4.27 121.20 112.39 1f54 s ILE 27 Ca -0.05 -2.01 -0.16 0.00 -0.26 0.00 0.00 60.65 58.18 1f54 s ILE 27 Cb -0.03 -1.99 -0.09 0.00 1.25 0.00 0.00 42.46 41.60 1f54 s ILE 27 CO 0.01 -0.62 0.77 -0.44 0.24 0.00 0.00 174.94 174.90 1f54 s SER 28 N -3.17 6.78 0.28 4.36 0.01 -1.26 0.18 113.70 120.88 1f54 s SER 28 Ca 0.20 1.33 -0.02 0.00 1.31 0.00 0.00 55.95 58.78 1f54 s SER 28 Cb 0.05 -2.39 0.62 0.00 0.21 0.00 0.00 66.02 64.51 1f54 s SER 28 CO 0.02 -0.24 1.60 -1.28 0.41 0.00 0.00 173.24 173.75 1f54 h SER 29 N 2.13 -0.39 -0.95 2.44 0.87 -1.88 1.05 113.55 116.82 1f54 h SER 29 Ca -0.48 0.24 0.21 0.00 -1.23 0.00 0.00 61.79 60.54 1f54 h SER 29 Cb 1.18 0.41 -0.08 0.00 -0.44 0.00 0.00 62.40 63.47 1f54 h SER 29 CO 0.65 -0.27 0.62 -1.28 -0.53 0.00 0.00 176.83 176.02 1f54 h SER 30 N 0.07 0.47 0.88 6.23 0.87 -1.92 0.13 113.55 120.28 1f54 h SER 30 Ca 0.52 0.06 -0.23 0.00 -1.23 0.00 0.00 61.79 60.91 1f54 h SER 30 Cb 1.02 -0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 62.93 1f54 h SER 30 CO -0.80 0.17 -1.09 -0.33 -0.53 0.00 0.00 176.83 174.25 1f54 h GLU 31 N 0.45 0.07 -0.26 2.24 4.39 0.74 -3.32 114.58 118.89 1f54 h GLU 31 Ca 0.51 -0.12 0.05 0.00 0.34 0.00 0.00 59.36 60.13 1f54 h GLU 31 Cb 1.21 0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 29.86 1f54 h GLU 31 CO -0.22 1.04 -0.02 1.25 -1.16 0.00 0.00 179.01 179.90 1f54 h LEU 32 N 0.02 -0.14 -1.05 1.33 5.85 0.44 -0.89 115.31 120.86 1f54 h LEU 32 Ca -0.05 0.06 0.21 0.00 0.84 0.00 0.00 57.88 58.94 1f54 h LEU 32 Cb 1.83 0.12 -0.11 0.00 0.37 0.00 0.00 40.66 42.87 1f54 h LEU 32 CO 0.15 -0.04 0.61 0.00 -0.34 0.00 0.00 178.44 178.82 1f54 h ALA 33 N 1.24 1.75 0.17 1.25 0.00 -1.59 0.25 119.26 122.33 1f54 h ALA 33 Ca 0.13 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 1f54 h ALA 33 Cb 0.17 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1f54 h ALA 33 CO -0.23 -0.14 -0.08 1.15 0.00 0.00 0.00 179.25 179.95 1f54 h THR 34 N 0.70 0.00 -0.91 0.00 2.02 -1.31 -1.97 112.91 111.44 1f54 h THR 34 Ca 0.59 -0.01 0.26 0.00 0.77 0.00 0.00 66.41 68.02 1f54 h THR 34 Cb 1.00 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 67.38 1f54 h THR 34 CO -0.39 0.00 0.89 -0.37 0.37 0.00 0.00 175.52 176.03 1f54 h VAL 35 N -0.25 0.20 0.73 3.16 -1.51 -1.07 0.40 116.25 117.92 1f54 h VAL 35 Ca -0.02 0.00 -0.04 0.00 -1.23 0.00 0.00 66.70 65.41 1f54 h VAL 35 Cb 0.18 0.31 0.01 0.00 -2.13 0.00 0.00 31.29 29.65 1f54 h VAL 35 CO 0.04 0.00 -0.35 -0.03 -1.23 0.00 0.00 177.57 176.00 1f54 h MET 36 N 0.00 -0.95 0.00 5.19 4.05 -0.22 -2.45 114.93 120.55 1f54 h MET 36 Ca 0.43 0.06 -0.02 0.00 -0.28 0.00 0.00 59.70 59.90 1f54 h MET 36 Cb 2.21 0.22 -0.00 0.00 -0.80 0.00 0.00 31.60 33.23 1f54 h MET 36 CO -0.00 -0.63 -0.10 0.00 0.23 0.00 0.00 176.91 176.41 1f54 h ARG 37 N -1.06 0.00 -0.26 0.39 3.08 -0.61 -3.02 114.38 112.90 1f54 h ARG 37 Ca -0.10 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 59.87 1f54 h ARG 37 Cb 0.76 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.79 1f54 h ARG 37 CO 0.17 0.10 -0.19 1.03 -1.07 0.00 0.00 179.97 180.00 1f54 h SER 38 N 0.00 0.47 0.14 7.04 0.87 -0.88 -2.49 113.55 118.70 1f54 h SER 38 Ca -0.00 -0.14 -0.02 0.00 -1.23 0.00 0.00 61.79 60.40 1f54 h SER 38 Cb 0.65 -0.13 -0.00 0.00 -0.44 0.00 0.00 62.40 62.48 1f54 h SER 38 CO 0.01 0.67 -0.10 -0.07 -0.53 0.00 0.00 176.83 176.82 1f54 h LEU 39 N 0.43 0.00 0.00 2.23 3.38 -1.30 -3.45 115.31 116.60 1f54 h LEU 39 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1f54 h LEU 39 Cb 0.58 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.33 1f54 h LEU 39 CO 0.04 0.10 0.00 0.61 0.09 0.00 0.00 178.44 179.28 1f54 n GLY 40 N -1.12 1.19 3.34 0.83 0.00 -0.94 -5.12 105.19 103.36 1f54 n GLY 40 Ca -0.03 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.80 1f54 n GLY 40 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1f54 s LEU 41 N 0.00 1.72 -0.37 0.99 2.34 -1.22 -5.07 118.68 117.07 1f54 s LEU 41 Ca 0.00 -1.65 -0.03 0.00 0.06 0.00 0.00 54.13 52.51 1f54 s LEU 41 Cb 0.00 0.31 0.19 0.00 -0.56 0.00 0.00 46.19 46.13 1f54 s LEU 41 CO 0.00 -0.97 0.93 -0.94 -1.06 0.00 0.00 176.35 174.31 1f54 s SER 42 N -3.40 -0.72 0.00 1.48 1.04 -1.26 -4.12 113.70 106.72 1f54 s SER 42 Ca 0.36 -0.51 0.00 0.00 0.48 0.00 0.00 55.95 56.27 1f54 s SER 42 Cb 0.04 0.92 0.00 0.00 0.10 0.00 0.00 66.02 67.08 1f54 s SER 42 CO 0.21 -0.06 0.00 -0.81 0.98 0.00 0.00 173.24 173.55 1f54 n PRO 43 N 3.55 1.09 -4.43 4.02 -0.04 -1.26 -5.09 135.00 132.84 1f54 n PRO 43 Ca 0.09 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.34 1f54 n PRO 43 Cb 0.61 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.97 1f54 n PRO 43 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1f54 s SER 44 N -1.36 2.81 0.07 3.54 0.01 -1.26 -5.00 113.70 112.50 1f54 s SER 44 Ca 0.00 -1.18 -0.16 0.00 1.31 0.00 0.00 55.95 55.92 1f54 s SER 44 Cb 0.00 -0.18 -0.05 0.00 0.21 0.00 0.00 66.02 66.01 1f54 s SER 44 CO 0.00 -0.33 1.27 -0.08 0.41 0.00 0.00 173.24 174.51 1f54 h GLU 45 N 2.27 -0.10 -0.79 12.44 4.81 -1.99 0.66 114.58 131.89 1f54 h GLU 45 Ca -0.40 0.01 0.14 0.00 -0.13 0.00 0.00 59.36 58.98 1f54 h GLU 45 Cb 1.23 0.02 -0.14 0.00 0.63 0.00 0.00 28.75 30.50 1f54 h GLU 45 CO 0.67 -0.07 -0.32 0.00 -0.73 0.00 0.00 179.01 178.57 1f54 h ALA 46 N -0.48 0.20 -0.76 2.92 0.00 -2.00 1.13 119.26 120.27 1f54 h ALA 46 Ca 0.06 0.25 0.15 0.00 0.00 0.00 0.00 54.91 55.36 1f54 h ALA 46 Cb 0.25 0.81 -0.05 0.00 0.00 0.00 0.00 17.79 18.80 1f54 h ALA 46 CO -0.37 -0.58 0.51 1.49 0.00 0.00 0.00 179.25 180.29 1f54 h GLU 47 N -0.06 0.41 -0.07 0.00 4.57 -1.39 -1.59 114.58 116.44 1f54 h GLU 47 Ca 0.32 -0.02 -0.07 0.00 -1.18 0.00 0.00 59.36 58.41 1f54 h GLU 47 Cb 0.58 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 29.08 1f54 h GLU 47 CO -0.83 0.27 -0.21 0.28 -1.18 0.00 0.00 179.01 177.34 1f54 h VAL 48 N 0.43 1.42 -0.72 0.32 2.07 0.33 -1.27 116.25 118.83 1f54 h VAL 48 Ca 0.37 -1.57 0.16 0.00 0.82 0.00 0.00 66.70 66.48 1f54 h VAL 48 Cb 0.84 2.25 -0.11 0.00 -1.52 0.00 0.00 31.29 32.75 1f54 h VAL 48 CO -0.12 0.44 0.11 -1.13 0.02 0.00 0.00 177.57 176.89 1f54 h ASN 49 N -0.22 -0.11 -0.02 0.57 -0.73 0.01 0.22 115.58 115.31 1f54 h ASN 49 Ca -0.01 0.16 -0.05 0.00 1.87 0.00 0.00 56.30 58.27 1f54 h ASN 49 Cb 0.83 0.24 0.00 0.00 0.27 0.00 0.00 38.32 39.66 1f54 h ASN 49 CO 0.05 -0.08 -0.19 -0.78 -0.37 0.00 0.00 177.43 176.06 1f54 h ASP 50 N 0.20 0.20 -0.78 1.15 3.58 -1.50 -0.80 116.42 118.47 1f54 h ASP 50 Ca 0.40 -0.70 0.16 0.00 0.42 0.00 0.00 57.03 57.31 1f54 h ASP 50 Cb 0.68 -0.06 -0.05 0.00 1.72 0.00 0.00 39.33 41.62 1f54 h ASP 50 CO -0.54 0.87 0.52 -0.07 -2.88 0.00 0.00 179.24 177.14 1f54 h LEU 51 N -0.46 0.36 0.02 2.28 3.38 -0.45 -2.17 115.31 118.28 1f54 h LEU 51 Ca -0.02 0.02 -0.10 0.00 0.09 0.00 0.00 57.88 57.88 1f54 h LEU 51 Cb 0.88 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.58 1f54 h LEU 51 CO 0.04 0.18 -0.52 0.24 0.09 0.00 0.00 178.44 178.46 1f54 h MET 52 N 0.38 0.05 -0.58 1.13 2.86 -0.57 -3.30 114.93 114.91 1f54 h MET 52 Ca 0.39 -0.09 0.17 0.00 -2.06 0.00 0.00 59.70 58.10 1f54 h MET 52 Cb 0.95 0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.62 1f54 h MET 52 CO -0.12 1.04 0.68 -0.97 1.06 0.00 0.00 176.91 178.61 1f54 h ASN 53 N -0.87 0.00 0.89 1.22 -0.73 -0.67 2.31 115.58 117.73 1f54 h ASN 53 Ca -0.13 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.04 1f54 h ASN 53 Cb 1.21 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.80 1f54 h ASN 53 CO -0.03 0.00 0.00 -0.33 -0.37 0.00 0.00 177.43 176.70 1f54 h GLU 54 N 0.00 0.00 0.00 6.67 3.07 -1.48 -3.36 114.58 119.48 1f54 h GLU 54 Ca 0.27 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.13 1f54 h GLU 54 Cb 1.64 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.55 1f54 h GLU 54 CO -0.00 0.00 -0.18 1.51 -1.40 0.00 0.00 179.01 178.94 1f54 n ILE 55 N -2.82 0.00 -1.61 3.13 3.06 0.35 -5.07 119.36 116.41 1f54 n ILE 55 Ca 0.01 0.00 -0.59 0.00 -2.50 0.00 0.00 62.75 59.67 1f54 n ILE 55 Cb 0.27 -0.12 -0.08 0.00 0.54 0.00 0.00 39.64 40.25 1f54 n ILE 55 CO 0.00 0.00 0.00 -0.67 -2.50 0.00 0.00 176.55 173.38 1f54 n ASP 56 N -1.39 0.95 -0.08 9.51 2.03 0.69 -4.86 116.55 123.40 1f54 n ASP 56 Ca 0.00 1.15 -0.19 0.00 0.52 0.00 0.00 54.79 56.26 1f54 n ASP 56 Cb 0.09 -1.00 -0.12 0.00 -0.72 0.00 0.00 41.12 39.37 1f54 n ASP 56 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 1f54 h VAL 57 N 3.83 1.22 0.00 5.18 2.07 -1.87 -3.45 116.25 123.22 1f54 h VAL 57 Ca -0.48 -2.27 -0.07 0.00 0.82 0.00 0.00 66.70 64.71 1f54 h VAL 57 Cb 1.38 2.67 -0.07 0.00 -1.52 0.00 0.00 31.29 33.76 1f54 h VAL 57 CO 0.80 0.47 -0.15 0.47 0.02 0.00 0.00 177.57 179.17 1f54 n ASP 58 N -4.41 -0.51 0.00 0.57 9.92 -1.26 -5.03 116.55 115.82 1f54 n ASP 58 Ca -0.24 -1.46 0.00 0.00 -0.53 0.00 0.00 54.79 52.57 1f54 n ASP 58 Cb 0.65 0.15 0.00 0.00 -0.64 0.00 0.00 41.12 41.28 1f54 n ASP 58 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1f54 n GLY 59 N 0.00 2.58 3.65 0.44 0.00 -1.26 -5.04 105.19 105.56 1f54 n GLY 59 Ca -0.14 -0.81 -0.32 0.00 0.00 0.00 0.00 46.02 44.75 1f54 n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1f54 s ASN 60 N 0.00 4.95 -0.15 1.61 4.22 -1.26 -4.83 114.94 119.47 1f54 s ASN 60 Ca 0.00 -0.07 -0.34 0.00 -2.14 0.00 0.00 52.86 50.31 1f54 s ASN 60 Cb 0.00 -1.24 0.14 0.00 1.28 0.00 0.00 41.25 41.43 1f54 s ASN 60 CO 0.00 0.27 1.33 -1.38 -2.04 0.00 0.00 177.10 175.28 1f54 s HIS 61 N -1.07 -0.05 -0.41 1.54 -3.43 -1.26 -4.74 115.29 105.86 1f54 s HIS 61 Ca 0.19 0.01 -0.18 0.00 -0.80 0.00 0.00 55.06 54.28 1f54 s HIS 61 Cb -0.11 0.52 0.02 0.00 -1.43 0.00 0.00 32.58 31.57 1f54 s HIS 61 CO 0.10 -0.13 0.46 -0.65 -2.00 0.00 0.00 174.74 172.52 1f54 s GLN 62 N -2.23 3.20 0.49 -0.38 1.11 -1.26 -3.69 119.66 116.88 1f54 s GLN 62 Ca 0.12 -0.64 -0.18 0.00 0.01 0.00 0.00 55.36 54.68 1f54 s GLN 62 Cb 0.02 -3.94 -0.09 0.00 -1.01 0.00 0.00 33.01 27.99 1f54 s GLN 62 CO -0.04 -0.83 0.97 0.42 0.01 0.00 0.00 175.29 175.82 1f54 s ILE 63 N 2.24 4.48 -0.10 1.08 1.01 0.48 -4.81 121.20 125.58 1f54 s ILE 63 Ca 0.14 1.31 0.02 0.00 0.00 0.00 0.00 60.65 62.12 1f54 s ILE 63 Cb -0.16 -3.68 -0.01 0.00 0.01 0.00 0.00 42.46 38.62 1f54 s ILE 63 CO 0.14 -0.56 -0.17 -1.61 0.00 0.00 0.00 174.94 172.74 1f54 s GLU 64 N -3.76 3.07 0.35 2.79 0.41 -1.26 -0.83 118.70 119.48 1f54 s GLU 64 Ca 0.60 -0.76 0.17 0.00 -0.41 0.00 0.00 54.97 54.57 1f54 s GLU 64 Cb -0.10 -2.46 1.19 0.00 -1.78 0.00 0.00 34.13 30.99 1f54 s GLU 64 CO 0.25 0.29 1.63 0.35 -0.49 0.00 0.00 175.26 177.29 1f54 h PHE 65 N 6.42 0.89 0.00 1.61 3.57 -1.90 0.24 116.94 127.77 1f54 h PHE 65 Ca -0.28 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.26 1f54 h PHE 65 Cb 1.21 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 39.72 1f54 h PHE 65 CO 0.48 -0.29 0.00 -1.13 -2.23 0.00 0.00 178.31 175.14 1f54 n SER 66 N -5.12 0.00 -0.32 0.41 3.41 -1.26 -2.38 113.62 108.36 1f54 n SER 66 Ca 0.34 0.61 0.16 0.00 -0.26 0.00 0.00 58.87 59.73 1f54 n SER 66 Cb 1.11 -0.12 0.36 0.00 -0.26 0.00 0.00 64.21 65.30 1f54 n SER 66 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 1f54 h GLU 67 N 0.00 0.36 -0.56 4.33 4.11 -1.87 0.24 114.58 121.19 1f54 h GLU 67 Ca 0.00 -0.02 0.06 0.00 0.07 0.00 0.00 59.36 59.47 1f54 h GLU 67 Cb 0.00 -0.08 -0.09 0.00 0.50 0.00 0.00 28.75 29.08 1f54 h GLU 67 CO 0.00 0.24 -0.56 0.35 0.07 0.00 0.00 179.01 179.11 1f54 h PHE 68 N 0.37 -1.72 0.02 2.06 3.57 -0.49 0.93 116.94 121.67 1f54 h PHE 68 Ca 0.62 0.09 -0.20 0.00 3.53 0.00 0.00 57.97 62.00 1f54 h PHE 68 Cb 1.25 0.82 -0.01 0.00 2.79 0.00 0.00 35.95 40.80 1f54 h PHE 68 CO -0.11 -0.46 -0.92 -0.07 -2.23 0.00 0.00 178.31 174.52 1f54 h LEU 69 N -0.29 0.23 -2.32 0.59 4.07 -0.85 -1.21 115.31 115.52 1f54 h LEU 69 Ca 0.10 -0.20 0.04 0.00 0.08 0.00 0.00 57.88 57.90 1f54 h LEU 69 Cb 0.55 -0.07 -0.00 0.00 1.08 0.00 0.00 40.66 42.21 1f54 h LEU 69 CO -0.69 1.03 0.15 0.00 -1.08 0.00 0.00 178.44 177.85 1f54 h ALA 70 N 0.95 1.68 0.00 1.53 0.00 0.66 -2.45 119.26 121.62 1f54 h ALA 70 Ca -0.05 -0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.57 1f54 h ALA 70 Cb 1.57 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 19.32 1f54 h ALA 70 CO 0.14 -0.21 -2.08 1.28 0.00 0.00 0.00 179.25 178.38 1f54 n LEU 71 N -3.74 1.73 0.17 0.00 4.32 0.20 -4.40 117.00 115.28 1f54 n LEU 71 Ca 0.00 -0.06 0.17 0.00 -0.02 0.00 0.00 56.01 56.10 1f54 n LEU 71 Cb 0.25 -0.24 0.77 0.00 -1.62 0.00 0.00 43.42 42.59 1f54 n LEU 71 CO 0.26 0.64 1.15 0.24 -1.22 0.00 0.00 177.39 178.46 1f54 h MET 72 N 0.00 0.00 0.00 3.23 2.86 -0.91 0.38 114.93 120.49 1f54 h MET 72 Ca -0.43 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.21 1f54 h MET 72 Cb 1.79 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.45 1f54 h MET 72 CO -0.03 0.00 0.05 0.45 1.06 0.00 0.00 176.91 178.44 1f54 n SER 73 N -4.02 0.54 -0.31 1.22 2.88 -0.95 -2.68 113.62 110.29 1f54 n SER 73 Ca 0.03 0.74 0.14 0.00 -1.33 0.00 0.00 58.87 58.45 1f54 n SER 73 Cb 0.36 -0.79 0.30 0.00 -0.75 0.00 0.00 64.21 63.33 1f54 n SER 73 CO 0.00 0.00 0.00 -0.09 -1.23 0.00 0.00 175.04 173.72 1f54 h ARG 74 N 0.00 0.10 0.00 -1.46 1.12 -1.20 -3.39 114.38 109.55 1f54 h ARG 74 Ca 0.00 -0.01 0.00 0.00 -1.11 0.00 0.00 59.98 58.86 1f54 h ARG 74 Cb 0.11 -0.02 0.00 0.00 -0.01 0.00 0.00 29.97 30.04 1f54 h ARG 74 CO 0.00 0.06 0.00 0.94 -3.11 0.00 0.00 179.97 177.86 1f54 n GLN 75 N -5.35 0.00 -1.29 0.20 7.27 -1.09 -5.14 117.38 111.98 1f54 n GLN 75 Ca 0.23 0.00 0.15 0.00 0.07 0.00 0.00 57.00 57.45 1f54 n GLN 75 Cb 0.74 0.00 -0.06 0.00 2.41 0.00 0.00 30.24 33.33 1f54 n GLN 75 CO 0.00 0.00 0.00 -0.11 0.07 0.00 0.00 177.06 177.02 1f54 n LEU 76 N -1.86 -0.75 -0.66 1.69 7.94 -1.23 -5.12 117.00 117.01 1f54 n LEU 76 Ca 0.00 1.72 0.08 0.00 -1.11 0.00 0.00 56.01 56.71 1f54 n LEU 76 Cb 0.00 -3.88 0.07 0.00 0.53 0.00 0.00 43.42 40.14 1f54 n LEU 76 CO 0.00 -2.34 0.51 0.29 -1.11 0.00 0.00 177.39 174.74