#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 3.24 -1.55 -3.46 7.64 -1.26 -4.90 113.62 113.33 1f54 n SER 2 Ca 0.00 -2.42 -0.03 0.00 1.01 0.00 0.00 58.87 57.43 1f54 n SER 2 Cb 0.00 -0.56 0.00 0.00 -1.01 0.00 0.00 64.21 62.64 1f54 n SER 2 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1f54 n ASN 3 N 0.34 -0.56 -4.96 6.43 2.85 -1.26 -5.11 115.26 113.00 1f54 n ASN 3 Ca 0.14 -1.51 -0.22 0.00 -0.11 0.00 0.00 54.58 52.88 1f54 n ASN 3 Cb 0.68 0.97 0.03 0.00 1.24 0.00 0.00 39.78 42.70 1f54 n ASN 3 CO 0.00 0.00 0.00 -0.22 -2.11 0.00 0.00 177.26 174.93 1f54 s LEU 4 N 0.00 3.32 0.00 1.20 2.96 -1.26 -5.00 118.68 119.91 1f54 s LEU 4 Ca 0.06 0.17 0.00 0.00 -0.22 0.00 0.00 54.13 54.14 1f54 s LEU 4 Cb -0.01 -3.02 0.00 0.00 0.50 0.00 0.00 46.19 43.66 1f54 s LEU 4 CO 0.05 -1.07 0.00 0.41 -1.32 0.00 0.00 176.35 174.42 1f54 n THR 5 N -2.35 0.00 -0.07 3.68 -1.04 -1.26 -4.96 114.28 108.28 1f54 n THR 5 Ca 0.06 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 61.93 1f54 n THR 5 Cb 0.59 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 69.05 1f54 n THR 5 CO 0.00 0.00 0.00 1.05 -0.64 0.00 0.00 175.07 175.48 1f54 h GLU 6 N 0.00 0.57 -0.08 -2.82 4.11 -1.99 -2.01 114.58 112.37 1f54 h GLU 6 Ca 0.00 -0.32 -0.18 0.00 0.07 0.00 0.00 59.36 58.93 1f54 h GLU 6 Cb 0.00 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.26 1f54 h GLU 6 CO 0.00 0.92 -0.73 0.93 0.07 0.00 0.00 179.01 180.20 1f54 h GLU 7 N 0.27 0.40 0.60 1.06 4.39 -1.99 -2.48 114.58 116.83 1f54 h GLU 7 Ca 0.03 -0.33 -0.03 0.00 0.34 0.00 0.00 59.36 59.37 1f54 h GLU 7 Cb 0.83 0.07 0.01 0.00 -0.10 0.00 0.00 28.75 29.55 1f54 h GLU 7 CO 0.06 0.97 -0.29 0.37 -1.16 0.00 0.00 179.01 178.96 1f54 h GLN 8 N 0.27 -0.78 -0.79 2.33 5.75 -1.92 -2.35 115.11 117.62 1f54 h GLN 8 Ca -0.03 0.05 0.10 0.00 -0.15 0.00 0.00 58.65 58.62 1f54 h GLN 8 Cb 1.30 0.18 -0.05 0.00 1.07 0.00 0.00 27.48 29.98 1f54 h GLN 8 CO 0.13 -0.47 0.52 0.82 -2.65 0.00 0.00 178.83 177.17 1f54 h ILE 9 N -1.02 0.94 0.24 2.39 2.04 -1.44 -2.14 117.51 118.51 1f54 h ILE 9 Ca -0.08 -0.24 0.00 0.00 1.00 0.00 0.00 64.86 65.54 1f54 h ILE 9 Cb 0.67 0.16 -0.02 0.00 -0.74 0.00 0.00 36.82 36.89 1f54 h ILE 9 CO 0.14 0.13 -0.25 0.00 0.00 0.00 0.00 178.15 178.16 1f54 h ALA 10 N 1.60 -0.51 -0.62 1.87 0.00 -1.23 -1.28 119.26 119.09 1f54 h ALA 10 Ca 0.37 -0.07 0.11 0.00 0.00 0.00 0.00 54.91 55.31 1f54 h ALA 10 Cb 0.47 0.37 -0.04 0.00 0.00 0.00 0.00 17.79 18.60 1f54 h ALA 10 CO -0.14 -0.82 0.41 0.93 0.00 0.00 0.00 179.25 179.63 1f54 h GLU 11 N -0.53 0.38 -0.49 0.00 4.39 -0.86 -1.05 114.58 116.42 1f54 h GLU 11 Ca -0.00 -0.02 -0.05 0.00 0.34 0.00 0.00 59.36 59.62 1f54 h GLU 11 Cb 0.50 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 29.04 1f54 h GLU 11 CO -0.07 0.25 0.11 0.74 -1.16 0.00 0.00 179.01 178.88 1f54 h PHE 12 N 0.39 0.84 0.07 4.33 -1.00 -0.83 -2.57 116.94 118.17 1f54 h PHE 12 Ca 0.29 -0.10 0.01 0.00 2.81 0.00 0.00 57.97 60.97 1f54 h PHE 12 Cb 0.61 -0.23 -0.01 0.00 3.61 0.00 0.00 35.95 39.92 1f54 h PHE 12 CO -0.00 0.75 -0.09 -0.22 -1.61 0.00 0.00 178.31 177.14 1f54 h LYS 13 N 0.68 -0.19 -0.98 1.51 1.63 -0.24 0.33 116.57 119.31 1f54 h LYS 13 Ca 0.15 0.01 0.16 0.00 -0.85 0.00 0.00 60.65 60.13 1f54 h LYS 13 Cb 0.35 0.04 -0.09 0.00 -0.60 0.00 0.00 32.23 31.93 1f54 h LYS 13 CO 0.00 -0.12 0.62 0.93 -3.45 0.00 0.00 179.45 177.43 1f54 h GLU 14 N -0.19 0.79 0.00 1.90 5.08 -1.39 0.92 114.58 121.69 1f54 h GLU 14 Ca 0.01 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1f54 h GLU 14 Cb 0.20 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.27 1f54 h GLU 14 CO -0.04 0.52 0.00 0.00 -1.00 0.00 0.00 179.01 178.49 1f54 n ALA 15 N -2.36 -0.22 -0.33 3.43 0.00 -0.76 -0.68 120.51 119.59 1f54 n ALA 15 Ca 0.21 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.70 1f54 n ALA 15 Cb 0.49 0.00 0.13 0.00 0.00 0.00 0.00 19.45 20.07 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 -0.45 0.00 0.00 3.57 -0.87 1.12 116.94 120.32 1f54 h PHE 16 Ca 0.00 0.08 -0.08 0.00 3.53 0.00 0.00 57.97 61.50 1f54 h PHE 16 Cb 0.00 0.34 -0.01 0.00 2.79 0.00 0.00 35.95 39.07 1f54 h PHE 16 CO 0.10 -0.39 -0.37 0.00 -2.23 0.00 0.00 178.31 175.42 1f54 h ALA 17 N 1.91 1.28 -0.06 2.41 0.00 -0.91 -2.66 119.26 121.24 1f54 h ALA 17 Ca 0.45 -0.34 0.02 0.00 0.00 0.00 0.00 54.91 55.04 1f54 h ALA 17 Cb 0.71 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 1f54 h ALA 17 CO -0.93 0.46 0.31 1.25 0.00 0.00 0.00 179.25 180.34 1f54 h LEU 18 N 0.00 0.00 -2.84 0.00 6.46 0.36 0.82 115.31 120.12 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 0.70 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.63 1f54 h LEU 18 CO 0.05 0.00 -0.03 0.49 -0.62 0.00 0.00 178.44 178.33 1f54 n PHE 19 N -3.05 0.00 -2.67 1.25 3.01 -1.01 -4.96 117.46 110.04 1f54 n PHE 19 Ca -0.01 -0.68 -0.42 0.00 1.01 0.00 0.00 57.45 57.35 1f54 n PHE 19 Cb 0.38 -0.09 -0.03 0.00 -0.01 0.00 0.00 39.48 39.73 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 -1.83 6.36 0.09 4.37 -1.08 0.28 -4.70 116.67 120.16 1f54 s ASP 20 Ca 0.15 -1.16 -0.29 0.00 -0.52 0.00 0.00 52.55 50.74 1f54 s ASP 20 Cb 0.13 -2.51 -0.12 0.00 -1.46 0.00 0.00 42.92 38.96 1f54 s ASP 20 CO 0.01 -1.53 1.46 0.50 0.52 0.00 0.00 175.17 176.14 1f54 h LYS 21 N 9.68 -0.57 0.00 4.34 3.64 -1.87 0.31 116.57 132.09 1f54 h LYS 21 Ca -0.04 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1f54 h LYS 21 Cb 1.03 0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.99 1f54 h LYS 21 CO 1.29 -0.38 0.18 -0.44 -2.27 0.00 0.00 179.45 177.83 1f54 h ASP 22 N -0.60 0.00 -2.37 4.20 3.32 -1.90 -3.44 116.42 115.63 1f54 h ASP 22 Ca 0.00 0.00 -0.35 0.00 0.02 0.00 0.00 57.03 56.70 1f54 h ASP 22 Cb 0.62 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 40.10 1f54 h ASP 22 CO -0.27 0.00 -0.39 0.59 -1.72 0.00 0.00 179.24 177.45 1f54 n ASN 23 N -2.61 -4.87 -0.00 6.45 4.13 0.11 -4.80 115.26 113.67 1f54 n ASN 23 Ca -0.02 0.23 0.08 0.00 1.68 0.00 0.00 54.58 56.55 1f54 n ASN 23 Cb 0.22 -4.21 -0.09 0.00 -1.54 0.00 0.00 39.78 34.15 1f54 n ASN 23 CO 0.00 0.00 0.00 -0.46 0.28 0.00 0.00 177.26 177.08 1f54 n ASN 24 N -1.50 0.83 0.00 6.41 6.94 -1.26 -4.95 115.26 121.72 1f54 n ASN 24 Ca -0.19 -0.74 0.00 0.00 -0.02 0.00 0.00 54.58 53.63 1f54 n ASN 24 Cb 0.62 1.12 0.00 0.00 -2.36 0.00 0.00 39.78 39.15 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 1.40 2.00 2.87 4.83 0.00 -1.26 -5.07 105.19 109.97 1f54 n GLY 25 Ca 0.02 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.89 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 0.36 0.24 1.61 1.04 -1.26 -1.71 113.70 111.98 1f54 s SER 26 Ca 0.00 -0.04 0.06 0.00 0.48 0.00 0.00 55.95 56.45 1f54 s SER 26 Cb 0.00 -0.12 -0.05 0.00 0.10 0.00 0.00 66.02 65.95 1f54 s SER 26 CO 0.00 -0.02 -0.06 0.27 0.98 0.00 0.00 173.24 174.41 1f54 s ILE 27 N 0.40 1.42 0.39 -1.02 -4.36 -0.54 -4.35 121.20 113.13 1f54 s ILE 27 Ca -0.04 -2.10 -0.15 0.00 -0.26 0.00 0.00 60.65 58.10 1f54 s ILE 27 Cb -0.07 -2.29 -0.09 0.00 1.25 0.00 0.00 42.46 41.26 1f54 s ILE 27 CO -0.01 -0.40 0.81 -0.55 0.24 0.00 0.00 174.94 175.04 1f54 s SER 28 N -3.35 6.72 0.24 4.36 0.15 -1.26 0.13 113.70 120.69 1f54 s SER 28 Ca 0.27 1.35 -0.11 0.00 0.70 0.00 0.00 55.95 58.16 1f54 s SER 28 Cb 0.04 -2.41 0.34 0.00 -1.71 0.00 0.00 66.02 62.28 1f54 s SER 28 CO 0.09 -0.33 1.60 0.77 1.20 0.00 0.00 173.24 176.57 1f54 h SER 29 N 1.78 -0.75 -0.96 5.45 4.64 -1.96 1.01 113.55 122.76 1f54 h SER 29 Ca -0.48 0.24 0.25 0.00 -0.47 0.00 0.00 61.79 61.34 1f54 h SER 29 Cb 1.18 0.50 -0.06 0.00 -0.31 0.00 0.00 62.40 63.71 1f54 h SER 29 CO 0.64 -0.26 0.66 -1.28 -0.87 0.00 0.00 176.83 175.71 1f54 h SER 30 N -0.00 0.21 0.69 4.97 0.87 -1.94 0.17 113.55 118.52 1f54 h SER 30 Ca 0.38 0.03 -0.27 0.00 -1.23 0.00 0.00 61.79 60.71 1f54 h SER 30 Cb 0.58 -0.01 -0.00 0.00 -0.44 0.00 0.00 62.40 62.53 1f54 h SER 30 CO -0.82 0.06 -1.23 -0.33 -0.53 0.00 0.00 176.83 173.98 1f54 h GLU 31 N 0.20 0.21 -0.12 2.24 5.08 0.66 -3.26 114.58 119.59 1f54 h GLU 31 Ca 0.49 -0.36 0.03 0.00 -1.00 0.00 0.00 59.36 58.52 1f54 h GLU 31 Cb 1.58 0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.96 1f54 h GLU 31 CO -0.12 1.16 0.09 1.25 -1.00 0.00 0.00 179.01 180.39 1f54 h LEU 32 N 0.06 0.02 -0.12 1.33 5.85 0.46 -2.17 115.31 120.73 1f54 h LEU 32 Ca -0.12 -0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.58 1f54 h LEU 32 Cb 1.94 -0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.96 1f54 h LEU 32 CO 0.18 0.01 0.01 0.00 -0.34 0.00 0.00 178.44 178.30 1f54 h ALA 33 N 1.94 0.16 0.78 1.25 0.00 -1.52 -2.14 119.26 119.73 1f54 h ALA 33 Ca 0.06 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 1f54 h ALA 33 Cb 0.20 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1f54 h ALA 33 CO -0.00 -0.17 -0.44 1.15 0.00 0.00 0.00 179.25 179.79 1f54 h THR 34 N -0.05 0.00 -1.18 0.00 2.02 -1.52 -1.96 112.91 110.21 1f54 h THR 34 Ca 0.03 0.00 0.35 0.00 0.77 0.00 0.00 66.41 67.56 1f54 h THR 34 Cb 0.33 0.00 -0.11 0.00 -1.74 0.00 0.00 68.15 66.63 1f54 h THR 34 CO 0.00 0.00 0.77 -0.37 0.37 0.00 0.00 175.52 176.29 1f54 h VAL 35 N -1.13 0.33 0.81 3.16 -1.51 -1.52 0.23 116.25 116.61 1f54 h VAL 35 Ca -0.11 -0.08 -0.04 0.00 -1.23 0.00 0.00 66.70 65.25 1f54 h VAL 35 Cb 0.89 0.09 0.00 0.00 -2.13 0.00 0.00 31.29 30.14 1f54 h VAL 35 CO 0.13 0.04 -0.47 -0.03 -1.23 0.00 0.00 177.57 176.02 1f54 h MET 36 N 0.23 -1.14 0.00 5.19 4.05 -0.66 -2.22 114.93 120.38 1f54 h MET 36 Ca 0.70 0.08 0.00 0.00 -0.28 0.00 0.00 59.70 60.19 1f54 h MET 36 Cb 2.05 0.26 0.00 0.00 -0.80 0.00 0.00 31.60 33.11 1f54 h MET 36 CO -0.33 -0.76 0.00 -0.09 0.23 0.00 0.00 176.91 175.96 1f54 h ARG 37 N -1.18 0.00 -0.04 0.39 1.12 -0.84 -2.93 114.38 110.89 1f54 h ARG 37 Ca -0.11 0.00 -0.12 0.00 -1.11 0.00 0.00 59.98 58.65 1f54 h ARG 37 Cb 0.94 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 30.88 1f54 h ARG 37 CO 0.13 0.00 -0.50 0.77 -3.11 0.00 0.00 179.97 177.26 1f54 h SER 38 N 0.00 0.12 0.14 -3.80 0.02 -0.21 -2.95 113.55 106.87 1f54 h SER 38 Ca 0.00 -0.06 -0.08 0.00 -0.84 0.00 0.00 61.79 60.81 1f54 h SER 38 Cb 0.51 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 63.00 1f54 h SER 38 CO 0.00 0.61 -0.27 -0.07 -1.14 0.00 0.00 176.83 175.96 1f54 h LEU 39 N 0.09 0.22 0.00 5.07 3.38 -1.21 -3.46 115.31 119.41 1f54 h LEU 39 Ca 0.00 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1f54 h LEU 39 Cb 0.92 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.61 1f54 h LEU 39 CO 0.07 0.50 0.00 0.61 0.09 0.00 0.00 178.44 179.71 1f54 n GLY 40 N -0.54 0.61 0.00 0.83 0.00 -1.12 -5.13 105.19 99.85 1f54 n GLY 40 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1f54 n GLY 40 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1f54 n LEU 41 N 0.00 0.00 -2.70 0.99 -0.00 -1.24 -5.01 117.00 109.04 1f54 n LEU 41 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 56.01 56.01 1f54 n LEU 41 Cb 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 43.42 43.44 1f54 n LEU 41 CO 0.00 0.00 0.51 -0.44 -0.00 0.00 0.00 177.39 177.46 1f54 s SER 42 N -0.24 -0.19 0.00 1.45 0.01 -1.26 -4.49 113.70 108.98 1f54 s SER 42 Ca 0.00 -0.15 0.00 0.00 1.31 0.00 0.00 55.95 57.11 1f54 s SER 42 Cb 0.00 0.25 0.00 0.00 0.21 0.00 0.00 66.02 66.48 1f54 s SER 42 CO 0.00 -0.02 0.00 -0.81 0.41 0.00 0.00 173.24 172.82 1f54 n PRO 43 N 3.17 1.09 -3.02 12.44 -0.04 -1.26 -5.11 135.00 142.27 1f54 n PRO 43 Ca 0.07 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.44 1f54 n PRO 43 Cb 0.65 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 34.08 1f54 n PRO 43 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1f54 n SER 44 N 0.00 -0.63 0.13 3.54 2.88 -1.26 -5.01 113.62 113.27 1f54 n SER 44 Ca 0.00 -2.11 -0.15 0.00 -1.33 0.00 0.00 58.87 55.28 1f54 n SER 44 Cb 0.00 1.25 -0.08 0.00 -0.75 0.00 0.00 64.21 64.63 1f54 n SER 44 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 1f54 h GLU 45 N 0.00 -0.65 -0.83 -1.46 4.81 -1.99 -1.18 114.58 113.28 1f54 h GLU 45 Ca -0.14 0.04 0.20 0.00 -0.13 0.00 0.00 59.36 59.33 1f54 h GLU 45 Cb 0.66 0.15 -0.15 0.00 0.63 0.00 0.00 28.75 30.04 1f54 h GLU 45 CO 0.20 -0.44 0.02 0.00 -0.73 0.00 0.00 179.01 178.07 1f54 h ALA 46 N -0.22 0.91 -0.30 2.92 0.00 -1.99 0.97 119.26 121.54 1f54 h ALA 46 Ca 0.01 0.27 -0.02 0.00 0.00 0.00 0.00 54.91 55.17 1f54 h ALA 46 Cb 0.69 0.46 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 1f54 h ALA 46 CO -0.22 -0.45 0.08 1.49 0.00 0.00 0.00 179.25 180.15 1f54 h GLU 47 N 0.09 0.43 -0.08 0.00 4.22 -1.72 -2.67 114.58 114.85 1f54 h GLU 47 Ca 0.47 -0.06 -0.15 0.00 0.08 0.00 0.00 59.36 59.70 1f54 h GLU 47 Cb 0.87 -0.08 0.01 0.00 0.50 0.00 0.00 28.75 30.05 1f54 h GLU 47 CO -0.73 0.39 -0.54 0.28 -2.18 0.00 0.00 179.01 176.23 1f54 h VAL 48 N 0.43 1.38 -0.58 0.32 2.07 0.20 -1.73 116.25 118.33 1f54 h VAL 48 Ca 0.10 -1.89 0.09 0.00 0.82 0.00 0.00 66.70 65.82 1f54 h VAL 48 Cb 0.15 2.29 -0.07 0.00 -1.52 0.00 0.00 31.29 32.14 1f54 h VAL 48 CO -0.01 0.57 0.20 -1.13 0.02 0.00 0.00 177.57 177.22 1f54 h ASN 49 N 0.08 0.18 -0.16 0.57 -0.00 -0.42 0.29 115.58 116.11 1f54 h ASN 49 Ca -0.05 0.08 -0.15 0.00 -0.00 0.00 0.00 56.30 56.18 1f54 h ASN 49 Cb 1.20 0.07 0.00 0.00 -0.00 0.00 0.00 38.32 39.60 1f54 h ASN 49 CO 0.11 0.11 -0.48 -0.78 -0.00 0.00 0.00 177.43 176.39 1f54 h ASP 50 N 0.37 0.71 0.13 1.15 1.82 -1.53 -2.10 116.42 116.97 1f54 h ASP 50 Ca 0.29 -0.59 0.01 0.00 -0.39 0.00 0.00 57.03 56.36 1f54 h ASP 50 Cb 0.37 -0.21 -0.03 0.00 0.68 0.00 0.00 39.33 40.14 1f54 h ASP 50 CO -0.31 1.17 -0.23 0.25 -1.61 0.00 0.00 179.24 178.52 1f54 h LEU 51 N 0.28 -0.63 0.03 2.28 5.85 -0.69 -0.54 115.31 121.88 1f54 h LEU 51 Ca -0.01 0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.78 1f54 h LEU 51 Cb 1.10 0.24 0.00 0.00 0.37 0.00 0.00 40.66 42.37 1f54 h LEU 51 CO 0.10 -0.32 -0.02 0.24 -0.34 0.00 0.00 178.44 178.11 1f54 h MET 52 N -0.43 -0.04 0.00 1.25 2.86 -1.03 -1.27 114.93 116.27 1f54 h MET 52 Ca 0.02 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.67 1f54 h MET 52 Cb 0.44 0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.11 1f54 h MET 52 CO -0.12 0.04 0.08 -0.91 1.06 0.00 0.00 176.91 177.06 1f54 h ASN 53 N -0.12 0.00 -0.52 1.22 4.21 -1.15 1.87 115.58 121.08 1f54 h ASN 53 Ca -0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 1f54 h ASN 53 Cb 0.10 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.30 1f54 h ASN 53 CO 0.01 0.00 0.00 1.21 -1.29 0.00 0.00 177.43 177.36 1f54 n GLU 54 N -2.36 2.87 0.00 0.81 2.13 -0.23 -4.69 120.64 119.17 1f54 n GLU 54 Ca -0.02 -2.38 0.00 0.00 0.66 0.00 0.00 57.16 55.43 1f54 n GLU 54 Cb 0.12 -1.45 0.00 0.00 0.27 0.00 0.00 31.44 30.38 1f54 n GLU 54 CO 0.00 0.00 0.00 1.51 -0.41 0.00 0.00 177.13 178.23 1f54 n ILE 55 N 0.99 0.00 -1.65 6.31 3.06 0.86 -5.04 119.36 123.89 1f54 n ILE 55 Ca 0.18 0.00 -0.47 0.00 -2.50 0.00 0.00 62.75 59.96 1f54 n ILE 55 Cb 0.55 -0.03 -0.04 0.00 0.54 0.00 0.00 39.64 40.66 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 -1.64 2.62 -0.09 9.51 2.03 0.60 -4.88 116.55 124.69 1f54 n ASP 56 Ca 0.00 1.11 -0.10 0.00 0.52 0.00 0.00 54.79 56.32 1f54 n ASP 56 Cb 0.00 -1.37 -0.12 0.00 -0.72 0.00 0.00 41.12 38.91 1f54 n ASP 56 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 1f54 n VAL 57 N 2.68 1.16 -2.68 5.18 0.31 -1.26 -4.84 118.33 118.87 1f54 n VAL 57 Ca 0.15 -0.63 -0.05 0.00 -0.01 0.00 0.00 64.34 63.81 1f54 n VAL 57 Cb 0.28 -0.77 0.09 0.00 -0.91 0.00 0.00 33.84 32.52 1f54 n VAL 57 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1f54 n ASP 58 N -2.77 -1.61 0.00 4.52 -0.08 -1.26 -5.03 116.55 110.32 1f54 n ASP 58 Ca -0.30 -2.27 0.00 0.00 -1.51 0.00 0.00 54.79 50.70 1f54 n ASP 58 Cb 0.99 1.20 0.00 0.00 2.34 0.00 0.00 41.12 45.66 1f54 n ASP 58 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1f54 n GLY 59 N 0.95 2.19 3.70 0.27 0.00 -1.26 -4.88 105.19 106.16 1f54 n GLY 59 Ca 0.00 -0.25 -0.25 0.00 0.00 0.00 0.00 46.02 45.52 1f54 n GLY 59 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1f54 s ASN 60 N -2.81 4.33 -0.05 1.61 2.47 -1.26 -5.01 114.94 114.22 1f54 s ASN 60 Ca 0.00 -1.08 -0.30 0.00 0.42 0.00 0.00 52.86 51.90 1f54 s ASN 60 Cb 0.00 -0.50 0.12 0.00 -1.45 0.00 0.00 41.25 39.42 1f54 s ASN 60 CO 0.00 -0.46 1.34 -1.38 -3.72 0.00 0.00 177.10 172.88 1f54 s HIS 61 N -2.59 -0.00 -0.41 0.43 -3.43 -1.26 -4.58 115.29 103.45 1f54 s HIS 61 Ca 0.39 -0.06 -0.08 0.00 -0.80 0.00 0.00 55.06 54.51 1f54 s HIS 61 Cb 0.03 0.53 0.08 0.00 -1.43 0.00 0.00 32.58 31.80 1f54 s HIS 61 CO 0.21 -0.16 0.23 -0.65 -2.00 0.00 0.00 174.74 172.37 1f54 s GLN 62 N -2.12 2.49 0.85 -0.38 -0.21 -1.26 -3.99 119.66 115.03 1f54 s GLN 62 Ca 0.22 -1.52 -0.11 0.00 0.02 0.00 0.00 55.36 53.98 1f54 s GLN 62 Cb 0.03 -3.71 0.10 0.00 1.00 0.00 0.00 33.01 30.43 1f54 s GLN 62 CO -0.03 -0.96 1.09 0.42 -2.12 0.00 0.00 175.29 173.69 1f54 s ILE 63 N 1.36 2.92 -0.06 1.08 1.01 0.36 -4.77 121.20 123.10 1f54 s ILE 63 Ca 0.03 0.30 0.03 0.00 0.00 0.00 0.00 60.65 61.01 1f54 s ILE 63 Cb -0.23 -2.82 0.01 0.00 0.01 0.00 0.00 42.46 39.43 1f54 s ILE 63 CO 0.01 -0.39 -0.14 -1.61 0.00 0.00 0.00 174.94 172.81 1f54 s GLU 64 N -4.95 1.75 0.31 2.79 2.02 -1.26 -1.47 118.70 117.89 1f54 s GLU 64 Ca 0.62 -0.50 0.06 0.00 0.02 0.00 0.00 54.97 55.18 1f54 s GLU 64 Cb -0.17 -1.46 0.86 0.00 0.10 0.00 0.00 34.13 33.46 1f54 s GLU 64 CO 0.56 0.11 1.61 0.35 0.02 0.00 0.00 175.26 177.91 1f54 h PHE 65 N 6.67 0.31 0.00 1.61 3.57 -1.73 0.26 116.94 127.64 1f54 h PHE 65 Ca -0.31 0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.25 1f54 h PHE 65 Cb 1.19 0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.94 1f54 h PHE 65 CO 0.47 -0.34 0.00 -1.13 -2.23 0.00 0.00 178.31 175.07 1f54 n SER 66 N -5.32 0.00 -0.39 0.41 3.41 -1.26 -1.73 113.62 108.74 1f54 n SER 66 Ca 0.26 0.51 0.32 0.00 -0.26 0.00 0.00 58.87 59.69 1f54 n SER 66 Cb 0.84 -0.01 0.59 0.00 -0.26 0.00 0.00 64.21 65.36 1f54 n SER 66 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 1f54 h GLU 67 N 0.00 0.15 0.19 4.33 4.22 -1.90 0.35 114.58 121.92 1f54 h GLU 67 Ca 0.00 -0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.43 1f54 h GLU 67 Cb 0.00 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 1f54 h GLU 67 CO 0.00 0.10 -0.35 0.35 -2.18 0.00 0.00 179.01 176.93 1f54 h PHE 68 N 0.15 -0.99 -0.11 0.92 3.57 -0.29 -2.03 116.94 118.17 1f54 h PHE 68 Ca 0.79 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 62.21 1f54 h PHE 68 Cb 2.22 0.41 0.00 0.00 2.79 0.00 0.00 35.95 41.37 1f54 h PHE 68 CO -0.01 -0.42 -0.31 -0.07 -2.23 0.00 0.00 178.31 175.27 1f54 h LEU 69 N -0.58 0.46 -1.82 0.59 4.07 -0.25 -0.80 115.31 116.97 1f54 h LEU 69 Ca -0.02 -0.60 0.43 0.00 0.08 0.00 0.00 57.88 57.78 1f54 h LEU 69 Cb 0.54 -0.13 -0.06 0.00 1.08 0.00 0.00 40.66 42.09 1f54 h LEU 69 CO -0.13 0.97 1.18 0.00 -1.08 0.00 0.00 178.44 179.38 1f54 h ALA 70 N 0.50 3.41 0.00 1.53 0.00 -0.34 0.37 119.26 124.73 1f54 h ALA 70 Ca -0.01 -0.05 -0.27 0.00 0.00 0.00 0.00 54.91 54.58 1f54 h ALA 70 Cb 0.92 0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.77 1f54 h ALA 70 CO 0.07 -1.95 -2.10 1.28 0.00 0.00 0.00 179.25 176.55 1f54 n LEU 71 N -3.86 0.00 0.20 0.00 4.32 -0.77 -4.32 117.00 112.57 1f54 n LEU 71 Ca 0.33 0.00 0.15 0.00 -0.02 0.00 0.00 56.01 56.47 1f54 n LEU 71 Cb 1.64 0.37 0.62 0.00 -1.62 0.00 0.00 43.42 44.43 1f54 n LEU 71 CO 0.39 0.37 0.93 -0.03 -1.22 0.00 0.00 177.39 177.83 1f54 h MET 72 N 0.00 0.00 0.00 3.23 4.05 0.12 -2.85 114.93 119.48 1f54 h MET 72 Ca -0.41 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.01 1f54 h MET 72 Cb 1.91 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.71 1f54 h MET 72 CO 0.02 0.00 0.18 0.66 0.23 0.00 0.00 176.91 178.00 1f54 h SER 73 N 0.00 0.00 0.00 1.39 4.64 -1.23 -3.06 113.55 115.29 1f54 h SER 73 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1f54 h SER 73 Cb 0.39 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 1f54 h SER 73 CO 0.00 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.50 1f54 n ARG 74 N -2.60 0.00 -3.73 4.77 1.74 -1.08 -4.44 116.66 111.32 1f54 n ARG 74 Ca -0.02 0.65 -0.30 0.00 -0.77 0.00 0.00 57.85 57.41 1f54 n ARG 74 Cb 0.23 -1.45 -0.14 0.00 -1.02 0.00 0.00 32.46 30.07 1f54 n ARG 74 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1f54 s GLN 75 N -2.80 0.91 0.51 5.56 -1.52 -1.16 -4.97 119.66 116.20 1f54 s GLN 75 Ca 0.00 -1.39 0.23 0.00 -1.95 0.00 0.00 55.36 52.25 1f54 s GLN 75 Cb 0.00 -2.13 1.33 0.00 -0.22 0.00 0.00 33.01 31.99 1f54 s GLN 75 CO 0.00 -1.04 1.99 1.25 -0.25 0.00 0.00 175.29 177.24 1f54 h LEU 76 N 7.64 0.07 0.00 2.90 5.85 -1.78 -3.51 115.31 126.49 1f54 h LEU 76 Ca -0.09 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.64 1f54 h LEU 76 Cb 0.99 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.01 1f54 h LEU 76 CO 0.47 0.04 0.00 1.17 -0.34 0.00 0.00 178.44 179.78