#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 0.68 -3.63 -3.46 2.88 -1.26 -5.13 113.62 103.70 1f54 n SER 2 Ca 0.00 -1.57 -0.03 0.00 -1.33 0.00 0.00 58.87 55.94 1f54 n SER 2 Cb 0.00 -0.32 -0.02 0.00 -0.75 0.00 0.00 64.21 63.12 1f54 n SER 2 CO 0.00 0.00 0.00 0.21 -1.23 0.00 0.00 175.04 174.02 1f54 s ASN 3 N -3.01 -0.06 0.80 -3.46 3.84 -1.26 -5.15 114.94 106.64 1f54 s ASN 3 Ca 0.33 0.00 -0.06 0.00 0.21 0.00 0.00 52.86 53.34 1f54 s ASN 3 Cb -0.02 0.06 0.10 0.00 -0.55 0.00 0.00 41.25 40.83 1f54 s ASN 3 CO 0.22 -0.09 0.22 -0.11 -2.79 0.00 0.00 177.10 174.54 1f54 n LEU 4 N -0.01 0.00 0.00 3.21 7.94 -1.26 -5.04 117.00 121.84 1f54 n LEU 4 Ca 0.04 -0.22 0.00 0.00 -1.11 0.00 0.00 56.01 54.72 1f54 n LEU 4 Cb 0.57 -0.33 0.00 0.00 0.53 0.00 0.00 43.42 44.19 1f54 n LEU 4 CO 0.08 -1.80 0.00 0.41 -1.11 0.00 0.00 177.39 174.97 1f54 n THR 5 N -3.47 0.00 0.04 1.96 -1.04 -1.26 -4.94 114.28 105.57 1f54 n THR 5 Ca 0.03 0.00 -0.07 0.00 -2.04 0.00 0.00 64.05 61.97 1f54 n THR 5 Cb 0.15 0.00 -0.05 0.00 -1.82 0.00 0.00 70.33 68.61 1f54 n THR 5 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 1f54 h GLU 6 N 0.00 -0.20 -0.12 -2.82 5.08 -1.99 -2.50 114.58 112.03 1f54 h GLU 6 Ca 0.00 0.01 -0.11 0.00 -1.00 0.00 0.00 59.36 58.26 1f54 h GLU 6 Cb 0.00 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 1f54 h GLU 6 CO 0.00 0.09 -0.41 0.93 -1.00 0.00 0.00 179.01 178.62 1f54 h GLU 7 N -1.00 0.27 0.47 2.33 5.08 -1.99 -2.41 114.58 117.33 1f54 h GLU 7 Ca -0.02 -0.13 -0.02 0.00 -1.00 0.00 0.00 59.36 58.19 1f54 h GLU 7 Cb 0.38 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.63 1f54 h GLU 7 CO 0.03 0.64 -0.23 0.37 -1.00 0.00 0.00 179.01 178.83 1f54 h GLN 8 N 0.22 -0.61 -0.91 2.33 5.75 -1.95 -2.38 115.11 117.57 1f54 h GLN 8 Ca 0.02 0.04 0.22 0.00 -0.15 0.00 0.00 58.65 58.78 1f54 h GLN 8 Cb 0.83 0.14 -0.06 0.00 1.07 0.00 0.00 27.48 29.45 1f54 h GLN 8 CO 0.07 -0.41 0.61 0.82 -2.65 0.00 0.00 178.83 177.27 1f54 h ILE 9 N -0.82 0.63 0.60 2.39 2.04 -1.51 -2.20 117.51 118.63 1f54 h ILE 9 Ca -0.06 -0.10 -0.03 0.00 1.00 0.00 0.00 64.86 65.66 1f54 h ILE 9 Cb 0.49 0.30 0.01 0.00 -0.74 0.00 0.00 36.82 36.88 1f54 h ILE 9 CO 0.11 0.06 -0.29 0.00 0.00 0.00 0.00 178.15 178.02 1f54 h ALA 10 N 1.60 -1.21 -1.02 1.87 0.00 -1.30 -1.47 119.26 117.73 1f54 h ALA 10 Ca 0.47 -0.18 0.29 0.00 0.00 0.00 0.00 54.91 55.49 1f54 h ALA 10 Cb 1.33 0.32 -0.05 0.00 0.00 0.00 0.00 17.79 19.39 1f54 h ALA 10 CO -0.15 -1.16 0.72 0.93 0.00 0.00 0.00 179.25 179.60 1f54 h GLU 11 N -0.81 0.08 -0.12 0.00 5.08 -0.89 0.59 114.58 118.52 1f54 h GLU 11 Ca -0.08 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.25 1f54 h GLU 11 Cb 0.62 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.85 1f54 h GLU 11 CO 0.13 0.05 0.00 0.74 -1.00 0.00 0.00 179.01 178.94 1f54 h PHE 12 N 0.09 0.23 0.41 4.33 -1.00 -0.88 -2.46 116.94 117.66 1f54 h PHE 12 Ca 0.50 -0.04 -0.01 0.00 2.81 0.00 0.00 57.97 61.24 1f54 h PHE 12 Cb 1.85 -0.06 -0.02 0.00 3.61 0.00 0.00 35.95 41.33 1f54 h PHE 12 CO -0.00 0.45 -0.35 -0.22 -1.61 0.00 0.00 178.31 176.58 1f54 h LYS 13 N -0.06 -0.73 -1.03 1.51 1.63 0.16 0.93 116.57 118.98 1f54 h LYS 13 Ca 0.03 0.05 0.25 0.00 -0.85 0.00 0.00 60.65 60.14 1f54 h LYS 13 Cb 0.36 0.17 -0.10 0.00 -0.60 0.00 0.00 32.23 32.05 1f54 h LYS 13 CO 0.01 -0.49 0.64 0.93 -3.45 0.00 0.00 179.45 177.09 1f54 h GLU 14 N -0.76 0.46 0.00 1.90 5.08 -1.49 0.18 114.58 119.94 1f54 h GLU 14 Ca -0.03 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1f54 h GLU 14 Cb 0.66 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.81 1f54 h GLU 14 CO -0.03 0.30 0.00 0.00 -1.00 0.00 0.00 179.01 178.29 1f54 n ALA 15 N -2.42 -0.18 -0.32 3.43 0.00 -0.63 -1.03 120.51 119.37 1f54 n ALA 15 Ca 0.25 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.78 1f54 n ALA 15 Cb 0.82 0.00 0.19 0.00 0.00 0.00 0.00 19.45 20.46 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 -0.22 0.00 0.00 3.57 -0.64 1.49 116.94 121.14 1f54 h PHE 16 Ca 0.00 0.07 -0.03 0.00 3.53 0.00 0.00 57.97 61.54 1f54 h PHE 16 Cb 0.00 0.24 -0.00 0.00 2.79 0.00 0.00 35.95 38.98 1f54 h PHE 16 CO 0.08 -0.37 -0.15 0.00 -2.23 0.00 0.00 178.31 175.64 1f54 h ALA 17 N 1.89 1.07 0.00 2.41 0.00 -0.75 -2.66 119.26 121.22 1f54 h ALA 17 Ca 0.49 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.26 1f54 h ALA 17 Cb 0.88 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1f54 h ALA 17 CO -0.87 0.19 0.00 1.25 0.00 0.00 0.00 179.25 179.82 1f54 h LEU 18 N 0.00 0.00 -2.74 0.00 6.46 0.38 -2.15 115.31 117.26 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 0.59 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.52 1f54 h LEU 18 CO 0.02 0.00 -0.07 0.49 -0.62 0.00 0.00 178.44 178.26 1f54 n PHE 19 N -2.90 0.00 -2.65 1.25 3.01 -1.01 -4.98 117.46 110.17 1f54 n PHE 19 Ca -0.02 -0.68 -0.42 0.00 1.01 0.00 0.00 57.45 57.34 1f54 n PHE 19 Cb 0.11 -0.10 -0.03 0.00 -0.01 0.00 0.00 39.48 39.44 1f54 n PHE 19 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1f54 s ASP 20 N -2.01 6.26 0.25 4.37 -1.08 -0.81 -4.66 116.67 118.99 1f54 s ASP 20 Ca 0.18 -0.38 0.02 0.00 -0.52 0.00 0.00 52.55 51.85 1f54 s ASP 20 Cb 0.16 -2.52 0.31 0.00 -1.46 0.00 0.00 42.92 39.41 1f54 s ASP 20 CO 0.02 -1.59 1.63 0.50 0.52 0.00 0.00 175.17 176.25 1f54 h LYS 21 N 9.72 0.43 0.00 4.34 3.64 -1.89 -2.44 116.57 130.36 1f54 h LYS 21 Ca -0.27 -0.21 0.00 0.00 -1.27 0.00 0.00 60.65 58.89 1f54 h LYS 21 Cb 1.06 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.88 1f54 h LYS 21 CO 1.21 0.77 0.00 -0.25 -2.27 0.00 0.00 179.45 178.91 1f54 n ASP 22 N -4.02 0.00 -3.38 4.20 9.92 -1.26 -4.86 116.55 117.14 1f54 n ASP 22 Ca -0.02 0.39 -0.22 0.00 -0.53 0.00 0.00 54.79 54.41 1f54 n ASP 22 Cb 0.50 -0.45 -0.02 0.00 -0.64 0.00 0.00 41.12 40.51 1f54 n ASP 22 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 1f54 n ASN 23 N -1.45 -2.99 0.00 -2.24 3.02 -0.92 -4.73 115.26 105.94 1f54 n ASN 23 Ca 0.06 -0.37 0.00 0.00 -0.03 0.00 0.00 54.58 54.24 1f54 n ASN 23 Cb 0.22 -2.52 0.00 0.00 -0.61 0.00 0.00 39.78 36.87 1f54 n ASN 23 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 1f54 n ASN 24 N -2.17 0.08 0.00 6.41 6.94 -1.26 -4.99 115.26 120.27 1f54 n ASN 24 Ca 0.00 -0.44 0.00 0.00 -0.02 0.00 0.00 54.58 54.12 1f54 n ASN 24 Cb 0.52 0.66 0.00 0.00 -2.36 0.00 0.00 39.78 38.61 1f54 n ASN 24 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1f54 n GLY 25 N 0.66 1.68 3.00 4.83 0.00 -1.26 -5.04 105.19 109.06 1f54 n GLY 25 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.00 0.94 0.22 1.61 1.04 -1.26 -0.39 113.70 113.85 1f54 s SER 26 Ca 0.00 -0.14 0.04 0.00 0.48 0.00 0.00 55.95 56.33 1f54 s SER 26 Cb 0.00 -0.13 -0.05 0.00 0.10 0.00 0.00 66.02 65.94 1f54 s SER 26 CO 0.00 0.09 -0.04 0.27 0.98 0.00 0.00 173.24 174.53 1f54 s ILE 27 N -0.11 1.20 0.38 -1.02 -4.36 -0.66 -4.27 121.20 112.36 1f54 s ILE 27 Ca 0.02 -2.06 -0.20 0.00 -0.26 0.00 0.00 60.65 58.14 1f54 s ILE 27 Cb -0.04 -2.22 -0.10 0.00 1.25 0.00 0.00 42.46 41.35 1f54 s ILE 27 CO -0.00 -0.44 0.89 -0.55 0.24 0.00 0.00 174.94 175.07 1f54 s SER 28 N -3.29 6.96 0.20 4.36 0.15 -1.26 0.19 113.70 121.00 1f54 s SER 28 Ca 0.25 1.60 -0.21 0.00 0.70 0.00 0.00 55.95 58.29 1f54 s SER 28 Cb 0.04 -2.50 0.14 0.00 -1.71 0.00 0.00 66.02 61.99 1f54 s SER 28 CO 0.07 -0.26 1.57 -1.28 1.20 0.00 0.00 173.24 174.53 1f54 h SER 29 N 2.24 -1.39 -1.26 5.45 0.87 -1.83 1.03 113.55 118.67 1f54 h SER 29 Ca -0.48 0.27 0.36 0.00 -1.23 0.00 0.00 61.79 60.71 1f54 h SER 29 Cb 1.18 0.69 -0.08 0.00 -0.44 0.00 0.00 62.40 63.75 1f54 h SER 29 CO 0.63 -0.30 0.86 0.28 -0.53 0.00 0.00 176.83 177.77 1f54 h SER 30 N -0.11 0.17 0.50 6.23 0.02 -1.93 0.56 113.55 118.99 1f54 h SER 30 Ca 0.26 0.05 -0.26 0.00 -0.84 0.00 0.00 61.79 61.00 1f54 h SER 30 Cb 0.56 0.03 0.01 0.00 0.14 0.00 0.00 62.40 63.13 1f54 h SER 30 CO -0.81 -0.01 -1.13 -0.33 -1.14 0.00 0.00 176.83 173.42 1f54 h GLU 31 N 0.13 0.34 -0.27 3.45 4.39 0.72 -3.21 114.58 120.11 1f54 h GLU 31 Ca 0.66 -0.47 0.06 0.00 0.34 0.00 0.00 59.36 59.95 1f54 h GLU 31 Cb 2.27 0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 31.07 1f54 h GLU 31 CO -0.16 1.18 0.19 1.25 -1.16 0.00 0.00 179.01 180.31 1f54 h LEU 32 N 0.14 0.09 -0.18 1.33 5.85 0.11 -1.90 115.31 120.75 1f54 h LEU 32 Ca -0.12 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.59 1f54 h LEU 32 Cb 1.81 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 42.82 1f54 h LEU 32 CO 0.19 0.06 0.05 0.00 -0.34 0.00 0.00 178.44 178.40 1f54 h ALA 33 N 1.86 0.23 0.82 1.25 0.00 -1.49 -1.92 119.26 120.01 1f54 h ALA 33 Ca 0.13 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 1f54 h ALA 33 Cb 0.37 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.11 1f54 h ALA 33 CO -0.01 -0.14 -0.40 1.15 0.00 0.00 0.00 179.25 179.84 1f54 h THR 34 N 0.10 0.00 -1.23 0.00 2.02 -1.47 -2.18 112.91 110.15 1f54 h THR 34 Ca 0.06 0.00 0.37 0.00 0.77 0.00 0.00 66.41 67.60 1f54 h THR 34 Cb 0.24 0.00 -0.10 0.00 -1.74 0.00 0.00 68.15 66.55 1f54 h THR 34 CO -0.00 0.00 0.81 -0.37 0.37 0.00 0.00 175.52 176.33 1f54 h VAL 35 N -1.11 0.30 0.82 3.16 -1.51 -1.51 0.21 116.25 116.62 1f54 h VAL 35 Ca -0.11 -0.06 -0.04 0.00 -1.23 0.00 0.00 66.70 65.26 1f54 h VAL 35 Cb 0.85 0.10 0.00 0.00 -2.13 0.00 0.00 31.29 30.12 1f54 h VAL 35 CO 0.18 0.03 -0.43 -0.03 -1.23 0.00 0.00 177.57 176.09 1f54 h MET 36 N 0.19 -1.11 0.00 5.19 4.05 -0.71 -2.25 114.93 120.29 1f54 h MET 36 Ca 0.71 0.08 0.00 0.00 -0.28 0.00 0.00 59.70 60.20 1f54 h MET 36 Cb 2.19 0.25 0.00 0.00 -0.80 0.00 0.00 31.60 33.25 1f54 h MET 36 CO -0.30 -0.74 0.00 -0.09 0.23 0.00 0.00 176.91 176.01 1f54 h ARG 37 N -1.15 0.00 -0.09 0.39 1.12 -0.85 -2.84 114.38 110.96 1f54 h ARG 37 Ca -0.11 0.00 -0.11 0.00 -1.11 0.00 0.00 59.98 58.65 1f54 h ARG 37 Cb 0.90 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 30.84 1f54 h ARG 37 CO 0.16 0.00 -0.45 0.77 -3.11 0.00 0.00 179.97 177.34 1f54 h SER 38 N 0.00 0.23 0.35 -3.80 0.02 -0.25 -2.80 113.55 107.29 1f54 h SER 38 Ca 0.00 -0.10 -0.05 0.00 -0.84 0.00 0.00 61.79 60.80 1f54 h SER 38 Cb 0.46 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 62.92 1f54 h SER 38 CO 0.00 0.65 -0.23 -0.07 -1.14 0.00 0.00 176.83 176.04 1f54 h LEU 39 N 0.18 0.00 0.00 5.07 3.38 -1.16 -3.45 115.31 119.33 1f54 h LEU 39 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1f54 h LEU 39 Cb 0.86 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.61 1f54 h LEU 39 CO 0.07 0.23 0.00 0.61 0.09 0.00 0.00 178.44 179.44 1f54 n GLY 40 N -0.64 0.45 3.30 0.83 0.00 -1.06 -5.11 105.19 102.95 1f54 n GLY 40 Ca -0.02 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.82 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 1.57 -0.38 0.99 2.34 -1.19 -5.06 118.68 116.94 1f54 s LEU 41 Ca 0.00 -1.67 -0.01 0.00 0.06 0.00 0.00 54.13 52.51 1f54 s LEU 41 Cb 0.00 0.64 0.19 0.00 -0.56 0.00 0.00 46.19 46.46 1f54 s LEU 41 CO 0.00 -1.06 0.86 -0.44 -1.06 0.00 0.00 176.35 174.66 1f54 s SER 42 N -3.32 -0.90 0.00 1.48 0.01 -1.26 -4.13 113.70 105.57 1f54 s SER 42 Ca 0.39 -0.60 0.00 0.00 1.31 0.00 0.00 55.95 57.05 1f54 s SER 42 Cb 0.03 1.16 0.00 0.00 0.21 0.00 0.00 66.02 67.42 1f54 s SER 42 CO 0.24 -0.08 0.00 -0.81 0.41 0.00 0.00 173.24 173.00 1f54 n PRO 43 N 3.73 1.11 -4.37 12.44 -0.04 -1.26 -5.08 135.00 141.54 1f54 n PRO 43 Ca 0.10 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.37 1f54 n PRO 43 Cb 0.60 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.96 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 -1.41 2.64 0.08 3.54 0.01 -1.26 -5.01 113.70 112.29 1f54 s SER 44 Ca 0.00 -1.06 -0.19 0.00 1.31 0.00 0.00 55.95 56.01 1f54 s SER 44 Cb 0.00 -0.15 -0.05 0.00 0.21 0.00 0.00 66.02 66.03 1f54 s SER 44 CO 0.00 -0.21 1.32 -0.33 0.41 0.00 0.00 173.24 174.43 1f54 h GLU 45 N 2.48 -0.12 -0.91 12.44 4.39 -1.99 0.31 114.58 131.19 1f54 h GLU 45 Ca -0.39 0.01 0.25 0.00 0.34 0.00 0.00 59.36 59.57 1f54 h GLU 45 Cb 1.23 0.03 -0.16 0.00 -0.10 0.00 0.00 28.75 29.74 1f54 h GLU 45 CO 0.63 -0.08 0.13 0.00 -1.16 0.00 0.00 179.01 178.53 1f54 h ALA 46 N -0.35 1.19 -0.57 3.43 0.00 -2.00 1.12 119.26 122.09 1f54 h ALA 46 Ca 0.07 0.28 -0.02 0.00 0.00 0.00 0.00 54.91 55.23 1f54 h ALA 46 Cb 0.30 0.45 -0.03 0.00 0.00 0.00 0.00 17.79 18.50 1f54 h ALA 46 CO -0.45 -0.52 0.27 1.49 0.00 0.00 0.00 179.25 180.04 1f54 h GLU 47 N 0.10 0.80 -0.22 0.00 4.81 -0.89 -2.63 114.58 116.56 1f54 h GLU 47 Ca 0.56 -0.10 -0.11 0.00 -0.13 0.00 0.00 59.36 59.58 1f54 h GLU 47 Cb 1.15 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 30.37 1f54 h GLU 47 CO -0.77 0.62 -0.29 0.28 -0.73 0.00 0.00 179.01 178.13 1f54 h VAL 48 N 0.80 1.32 -0.29 0.32 2.07 0.33 -0.98 116.25 119.83 1f54 h VAL 48 Ca 0.20 -1.49 0.06 0.00 0.82 0.00 0.00 66.70 66.29 1f54 h VAL 48 Cb 0.09 1.77 -0.06 0.00 -1.52 0.00 0.00 31.29 31.57 1f54 h VAL 48 CO -0.03 0.46 -0.11 -1.13 0.02 0.00 0.00 177.57 176.78 1f54 h ASN 49 N 0.27 -0.39 -0.36 0.57 -0.73 -0.61 0.37 115.58 114.70 1f54 h ASN 49 Ca 0.03 0.10 -0.15 0.00 1.87 0.00 0.00 56.30 58.15 1f54 h ASN 49 Cb 0.86 0.23 -0.01 0.00 0.27 0.00 0.00 38.32 39.68 1f54 h ASN 49 CO 0.07 -0.15 -0.34 0.44 -0.37 0.00 0.00 177.43 177.08 1f54 h ASP 50 N -0.06 0.93 -0.37 1.15 5.19 -1.50 0.25 116.42 122.01 1f54 h ASP 50 Ca 0.15 -0.46 -0.03 0.00 -0.62 0.00 0.00 57.03 56.07 1f54 h ASP 50 Cb 0.28 -0.26 -0.02 0.00 0.18 0.00 0.00 39.33 39.51 1f54 h ASP 50 CO -0.33 1.20 0.15 0.25 -3.12 0.00 0.00 179.24 177.39 1f54 h LEU 51 N 0.67 0.55 0.00 1.55 5.85 -0.53 -2.05 115.31 121.35 1f54 h LEU 51 Ca 0.06 -0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 1f54 h LEU 51 Cb 0.93 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.82 1f54 h LEU 51 CO 0.09 0.52 -0.15 0.24 -0.34 0.00 0.00 178.44 178.79 1f54 h MET 52 N 0.60 0.00 -0.49 1.25 2.86 -0.14 -3.30 114.93 115.72 1f54 h MET 52 Ca 0.15 0.00 0.14 0.00 -2.06 0.00 0.00 59.70 57.93 1f54 h MET 52 Cb 0.15 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.79 1f54 h MET 52 CO -0.01 0.50 0.60 -0.91 1.06 0.00 0.00 176.91 178.16 1f54 h ASN 53 N -1.00 0.00 1.13 1.22 4.21 -0.95 1.95 115.58 122.14 1f54 h ASN 53 Ca -0.03 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.48 1f54 h ASN 53 Cb 0.57 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.77 1f54 h ASN 53 CO -0.02 0.00 0.00 -0.62 -1.29 0.00 0.00 177.43 175.50 1f54 n GLU 54 N -3.51 0.23 0.00 0.81 1.02 -0.78 -4.21 120.64 114.20 1f54 n GLU 54 Ca 0.10 0.30 0.00 0.00 -0.02 0.00 0.00 57.16 57.54 1f54 n GLU 54 Cb 0.79 -1.83 0.00 0.00 -0.02 0.00 0.00 31.44 30.38 1f54 n GLU 54 CO 0.00 0.00 0.00 1.51 1.18 0.00 0.00 177.13 179.82 1f54 n ILE 55 N -2.23 0.00 -1.84 -3.67 3.06 0.39 -5.02 119.36 110.05 1f54 n ILE 55 Ca 0.04 0.00 -0.42 0.00 -2.50 0.00 0.00 62.75 59.87 1f54 n ILE 55 Cb 0.34 -0.26 -0.03 0.00 0.54 0.00 0.00 39.64 40.23 1f54 n ILE 55 CO 0.00 0.00 0.00 -0.62 -2.50 0.00 0.00 176.55 173.43 1f54 s ASP 56 N -3.53 6.36 -0.00 9.51 -1.08 0.56 -4.82 116.67 123.68 1f54 s ASP 56 Ca 0.00 2.25 0.06 0.00 -0.52 0.00 0.00 52.55 54.34 1f54 s ASP 56 Cb 0.00 -2.53 -0.07 0.00 -1.46 0.00 0.00 42.92 38.86 1f54 s ASP 56 CO 0.00 -1.18 0.19 0.52 0.52 0.00 0.00 175.17 175.21 1f54 n VAL 57 N 5.99 0.00 -1.51 1.11 0.31 -1.26 -4.66 118.33 118.31 1f54 n VAL 57 Ca 0.20 -0.26 0.02 0.00 -0.01 0.00 0.00 64.34 64.29 1f54 n VAL 57 Cb 0.43 0.71 0.03 0.00 -0.91 0.00 0.00 33.84 34.10 1f54 n VAL 57 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1f54 n ASP 58 N -1.39 0.65 0.00 4.52 8.00 -1.26 -5.03 116.55 122.05 1f54 n ASP 58 Ca 0.00 -2.09 0.00 0.00 0.71 0.00 0.00 54.79 53.41 1f54 n ASP 58 Cb 0.11 -0.21 0.00 0.00 -0.02 0.00 0.00 41.12 41.01 1f54 n ASP 58 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1f54 n GLY 59 N -0.35 2.03 2.15 0.44 0.00 -1.26 -4.44 105.19 103.76 1f54 n GLY 59 Ca 0.04 -0.27 -0.27 0.00 0.00 0.00 0.00 46.02 45.52 1f54 n GLY 59 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1f54 n ASN 60 N 3.78 5.62 -4.35 1.61 4.13 -1.26 -4.66 115.26 120.14 1f54 n ASN 60 Ca 0.00 -3.76 -0.33 0.00 1.68 0.00 0.00 54.58 52.18 1f54 n ASN 60 Cb 0.00 -0.52 0.15 0.00 -1.54 0.00 0.00 39.78 37.87 1f54 n ASN 60 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1f54 n HIS 61 N -0.74 -1.44 -3.21 3.10 1.44 -1.26 -4.70 115.22 108.41 1f54 n HIS 61 Ca 0.48 0.18 -0.45 0.00 -2.01 0.00 0.00 57.72 55.93 1f54 n HIS 61 Cb 0.85 -1.67 -0.06 0.00 0.12 0.00 0.00 29.99 29.24 1f54 n HIS 61 CO 0.00 0.00 0.00 1.14 -2.81 0.00 0.00 176.34 174.67 1f54 s GLN 62 N -3.55 3.05 1.07 -1.40 -2.07 -1.26 -3.57 119.66 111.92 1f54 s GLN 62 Ca 0.57 -1.25 -0.15 0.00 -1.82 0.00 0.00 55.36 52.71 1f54 s GLN 62 Cb -0.16 -4.19 0.22 0.00 -1.09 0.00 0.00 33.01 27.79 1f54 s GLN 62 CO 0.67 -1.30 1.10 0.42 -1.32 0.00 0.00 175.29 174.86 1f54 s ILE 63 N 2.29 1.87 -0.04 3.63 1.01 0.50 -4.74 121.20 125.72 1f54 s ILE 63 Ca 0.10 0.00 0.01 0.00 0.00 0.00 0.00 60.65 60.75 1f54 s ILE 63 Cb -0.23 -2.50 0.03 0.00 0.01 0.00 0.00 42.46 39.76 1f54 s ILE 63 CO 0.08 0.00 -0.01 -0.70 0.00 0.00 0.00 174.94 174.30 1f54 s GLU 64 N -5.12 0.49 0.33 2.79 -6.30 -1.26 -1.65 118.70 107.98 1f54 s GLU 64 Ca 0.67 0.02 0.11 0.00 -2.50 0.00 0.00 54.97 53.27 1f54 s GLU 64 Cb -0.16 -0.61 1.02 0.00 0.00 0.00 0.00 34.13 34.38 1f54 s GLU 64 CO 0.57 -0.12 1.62 0.35 0.02 0.00 0.00 175.26 177.70 1f54 h PHE 65 N 7.25 0.61 0.00 5.30 3.57 -1.11 0.21 116.94 132.79 1f54 h PHE 65 Ca -0.40 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.14 1f54 h PHE 65 Cb 1.14 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 39.77 1f54 h PHE 65 CO 0.50 -0.31 0.00 0.45 -2.23 0.00 0.00 178.31 176.72 1f54 n SER 66 N -5.22 0.00 -0.32 0.41 2.88 -1.26 -1.93 113.62 108.18 1f54 n SER 66 Ca 0.30 0.37 0.19 0.00 -1.33 0.00 0.00 58.87 58.40 1f54 n SER 66 Cb 0.96 0.00 0.38 0.00 -0.75 0.00 0.00 64.21 64.81 1f54 n SER 66 CO 0.00 0.00 0.00 1.05 -1.23 0.00 0.00 175.04 174.86 1f54 h GLU 67 N 0.00 0.22 -0.62 -1.46 4.11 -1.90 0.22 114.58 115.15 1f54 h GLU 67 Ca 0.00 -0.01 0.07 0.00 0.07 0.00 0.00 59.36 59.49 1f54 h GLU 67 Cb 0.00 -0.05 -0.10 0.00 0.50 0.00 0.00 28.75 29.10 1f54 h GLU 67 CO 0.00 0.14 -0.54 0.35 0.07 0.00 0.00 179.01 179.03 1f54 h PHE 68 N 0.22 -1.68 0.05 2.06 3.57 -0.47 0.62 116.94 121.31 1f54 h PHE 68 Ca 0.65 0.10 -0.26 0.00 3.53 0.00 0.00 57.97 61.99 1f54 h PHE 68 Cb 1.42 0.81 0.01 0.00 2.79 0.00 0.00 35.95 40.99 1f54 h PHE 68 CO -0.17 -0.45 -1.08 -0.07 -2.23 0.00 0.00 178.31 174.32 1f54 h LEU 69 N -0.25 0.65 -1.98 0.59 4.07 -0.41 -0.80 115.31 117.18 1f54 h LEU 69 Ca 0.12 -0.56 0.10 0.00 0.08 0.00 0.00 57.88 57.62 1f54 h LEU 69 Cb 0.54 -0.20 -0.01 0.00 1.08 0.00 0.00 40.66 42.06 1f54 h LEU 69 CO -0.72 1.38 0.43 0.00 -1.08 0.00 0.00 178.44 178.45 1f54 h ALA 70 N 0.57 2.02 0.00 1.53 0.00 0.31 -2.10 119.26 121.58 1f54 h ALA 70 Ca -0.12 -0.01 -0.26 0.00 0.00 0.00 0.00 54.91 54.52 1f54 h ALA 70 Cb 1.74 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 19.50 1f54 h ALA 70 CO 0.19 -0.61 -1.98 1.28 0.00 0.00 0.00 179.25 178.13 1f54 n LEU 71 N -3.61 1.38 0.08 0.00 4.32 0.12 -4.43 117.00 114.86 1f54 n LEU 71 Ca 0.06 -0.04 0.19 0.00 -0.02 0.00 0.00 56.01 56.20 1f54 n LEU 71 Cb 0.59 -0.10 0.74 0.00 -1.62 0.00 0.00 43.42 43.02 1f54 n LEU 71 CO 0.26 0.55 1.17 0.24 -1.22 0.00 0.00 177.39 178.39 1f54 h MET 72 N 0.00 0.00 0.00 3.23 2.86 -0.48 0.33 114.93 120.88 1f54 h MET 72 Ca -0.39 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.25 1f54 h MET 72 Cb 1.75 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.41 1f54 h MET 72 CO -0.02 0.00 0.29 0.66 1.06 0.00 0.00 176.91 178.91 1f54 h SER 73 N 0.00 0.00 -0.19 1.22 4.64 -1.67 -2.40 113.55 115.16 1f54 h SER 73 Ca 0.19 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 61.56 1f54 h SER 73 Cb 0.89 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.91 1f54 h SER 73 CO -0.00 0.00 -0.31 0.03 -0.87 0.00 0.00 176.83 175.68 1f54 h ARG 74 N 0.00 -0.34 -0.96 4.77 3.08 -1.23 -3.42 114.38 116.29 1f54 h ARG 74 Ca 0.00 0.02 0.10 0.00 0.07 0.00 0.00 59.98 60.17 1f54 h ARG 74 Cb 0.59 0.08 -0.21 0.00 0.08 0.00 0.00 29.97 30.50 1f54 h ARG 74 CO 0.00 -0.22 -0.25 -1.14 -1.07 0.00 0.00 179.97 177.29 1f54 s GLN 75 N -6.01 0.55 -0.14 0.04 0.74 -0.90 -5.04 119.66 108.90 1f54 s GLN 75 Ca -0.15 0.96 -0.01 0.00 0.05 0.00 0.00 55.36 56.21 1f54 s GLN 75 Cb 0.11 0.53 -0.24 0.00 1.10 0.00 0.00 33.01 34.51 1f54 s GLN 75 CO 0.67 -0.60 0.29 -0.11 -0.55 0.00 0.00 175.29 174.99 1f54 n LEU 76 N 5.43 2.35 0.00 3.68 7.94 -1.26 -5.04 117.00 130.11 1f54 n LEU 76 Ca -0.01 0.17 0.00 0.00 -1.11 0.00 0.00 56.01 55.05 1f54 n LEU 76 Cb 0.51 -0.84 0.00 0.00 0.53 0.00 0.00 43.42 43.63 1f54 n LEU 76 CO 0.02 0.79 0.16 0.29 -1.11 0.00 0.00 177.39 177.54