#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f54 s SER 2 N 0.00 0.31 0.01 6.43 0.15 -1.26 -5.15 113.70 114.20 1f54 s SER 2 Ca 0.00 0.54 0.07 0.00 0.70 0.00 0.00 55.95 57.26 1f54 s SER 2 Cb 0.00 0.58 -0.02 0.00 -1.71 0.00 0.00 66.02 64.87 1f54 s SER 2 CO 0.00 -0.23 -0.21 0.54 1.20 0.00 0.00 173.24 174.54 1f54 s ASN 3 N 2.19 2.51 0.36 5.45 4.22 -1.26 -5.06 114.94 123.35 1f54 s ASN 3 Ca -0.00 -0.45 0.00 0.00 -2.14 0.00 0.00 52.86 50.27 1f54 s ASN 3 Cb -0.12 -0.25 0.00 0.00 1.28 0.00 0.00 41.25 42.17 1f54 s ASN 3 CO -0.08 0.22 0.00 -0.11 -2.04 0.00 0.00 177.10 175.09 1f54 n LEU 4 N 2.23 -0.64 0.00 3.54 7.94 -1.26 -5.03 117.00 123.77 1f54 n LEU 4 Ca -0.16 1.48 -0.03 0.00 -1.11 0.00 0.00 56.01 56.18 1f54 n LEU 4 Cb 0.53 -3.70 -0.00 0.00 0.53 0.00 0.00 43.42 40.78 1f54 n LEU 4 CO 0.23 -2.11 0.08 0.41 -1.11 0.00 0.00 177.39 174.89 1f54 n THR 5 N -3.69 0.00 0.00 1.96 -1.04 -1.26 -5.02 114.28 105.23 1f54 n THR 5 Ca -0.03 -0.42 0.00 0.00 -2.04 0.00 0.00 64.05 61.56 1f54 n THR 5 Cb 0.62 0.29 0.00 0.00 -1.82 0.00 0.00 70.33 69.42 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 -0.15 0.00 -0.32 -2.82 1.02 -1.26 -1.63 120.64 115.48 1f54 n GLU 6 Ca -0.01 0.48 0.16 0.00 -0.02 0.00 0.00 57.16 57.77 1f54 n GLU 6 Cb 0.16 -1.42 0.32 0.00 -0.02 0.00 0.00 31.44 30.48 1f54 n GLU 6 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1f54 h GLU 7 N 0.00 0.10 0.08 3.49 5.08 -1.99 -1.12 114.58 120.23 1f54 h GLU 7 Ca 0.00 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1f54 h GLU 7 Cb 0.00 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 1f54 h GLU 7 CO 0.00 0.07 -0.20 0.37 -1.00 0.00 0.00 179.01 178.25 1f54 h GLN 8 N 0.11 -0.29 -1.21 2.33 5.75 -1.90 0.10 115.11 119.99 1f54 h GLN 8 Ca 0.60 0.02 0.35 0.00 -0.15 0.00 0.00 58.65 59.48 1f54 h GLN 8 Cb 1.28 0.07 -0.10 0.00 1.07 0.00 0.00 27.48 29.80 1f54 h GLN 8 CO -0.77 -0.20 0.80 0.82 -2.65 0.00 0.00 178.83 176.84 1f54 h ILE 9 N -0.31 0.34 -0.05 2.39 2.04 -0.26 0.22 117.51 121.87 1f54 h ILE 9 Ca -0.01 -0.07 -0.01 0.00 1.00 0.00 0.00 64.86 65.78 1f54 h ILE 9 Cb 0.29 0.12 -0.00 0.00 -0.74 0.00 0.00 36.82 36.50 1f54 h ILE 9 CO -0.09 0.04 0.01 0.00 0.00 0.00 0.00 178.15 178.11 1f54 h ALA 10 N 1.54 0.07 -0.20 1.87 0.00 -0.29 -2.27 119.26 119.99 1f54 h ALA 10 Ca 0.69 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 55.46 1f54 h ALA 10 Cb 2.13 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.89 1f54 h ALA 10 CO -0.27 -0.28 0.13 0.93 0.00 0.00 0.00 179.25 179.76 1f54 h GLU 11 N -0.16 0.20 -0.29 0.00 5.08 0.12 -2.06 114.58 117.47 1f54 h GLU 11 Ca 0.02 -0.01 -0.10 0.00 -1.00 0.00 0.00 59.36 58.27 1f54 h GLU 11 Cb 0.29 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 1f54 h GLU 11 CO 0.00 0.14 -0.19 0.74 -1.00 0.00 0.00 179.01 178.70 1f54 h PHE 12 N 0.21 0.75 0.53 4.33 -1.00 -1.06 -2.62 116.94 118.09 1f54 h PHE 12 Ca 0.08 -0.20 -0.02 0.00 2.81 0.00 0.00 57.97 60.64 1f54 h PHE 12 Cb 0.06 -0.17 -0.00 0.00 3.61 0.00 0.00 35.95 39.45 1f54 h PHE 12 CO -0.00 0.90 -0.30 -0.22 -1.61 0.00 0.00 178.31 177.08 1f54 h LYS 13 N 0.39 -0.75 -0.94 1.51 3.64 -0.80 0.16 116.57 119.78 1f54 h LYS 13 Ca 0.06 0.05 0.19 0.00 -1.27 0.00 0.00 60.65 59.68 1f54 h LYS 13 Cb 0.73 0.17 -0.11 0.00 -0.41 0.00 0.00 32.23 32.61 1f54 h LYS 13 CO 0.05 -0.50 0.52 0.93 -2.27 0.00 0.00 179.45 178.18 1f54 h GLU 14 N -0.78 0.63 0.00 1.90 5.08 -1.51 0.69 114.58 120.59 1f54 h GLU 14 Ca -0.06 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 1f54 h GLU 14 Cb 0.62 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.73 1f54 h GLU 14 CO 0.08 0.42 0.00 0.00 -1.00 0.00 0.00 179.01 178.51 1f54 n ALA 15 N -2.38 -0.31 -0.33 3.43 0.00 -0.92 -0.38 120.51 119.62 1f54 n ALA 15 Ca 0.21 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.69 1f54 n ALA 15 Cb 0.56 0.00 0.12 0.00 0.00 0.00 0.00 19.45 20.12 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 -0.54 0.00 0.00 3.57 -0.81 1.46 116.94 120.62 1f54 h PHE 16 Ca 0.00 0.08 -0.04 0.00 3.53 0.00 0.00 57.97 61.54 1f54 h PHE 16 Cb 0.00 0.38 -0.01 0.00 2.79 0.00 0.00 35.95 39.11 1f54 h PHE 16 CO 0.14 -0.40 -0.20 0.00 -2.23 0.00 0.00 178.31 175.63 1f54 h ALA 17 N 1.87 1.16 -0.04 2.41 0.00 -0.92 -2.59 119.26 121.16 1f54 h ALA 17 Ca 0.43 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 55.17 1f54 h ALA 17 Cb 0.67 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 1f54 h ALA 17 CO -0.95 0.25 0.06 1.25 0.00 0.00 0.00 179.25 179.86 1f54 h LEU 18 N 0.00 0.00 -3.00 0.00 6.46 0.49 -1.50 115.31 117.77 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 0.55 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.48 1f54 h LEU 18 CO 0.03 0.00 0.00 0.49 -0.62 0.00 0.00 178.44 178.34 1f54 n PHE 19 N -3.60 0.09 -2.49 1.25 3.01 -0.99 -4.96 117.46 109.76 1f54 n PHE 19 Ca -0.02 -0.63 -0.41 0.00 1.01 0.00 0.00 57.45 57.40 1f54 n PHE 19 Cb 0.14 -0.08 -0.03 0.00 -0.01 0.00 0.00 39.48 39.50 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 -1.46 6.12 0.15 4.37 -1.08 -0.57 -4.74 116.67 119.47 1f54 s ASP 20 Ca 0.11 -0.21 -0.15 0.00 -0.52 0.00 0.00 52.55 51.78 1f54 s ASP 20 Cb 0.09 -2.55 0.01 0.00 -1.46 0.00 0.00 42.92 39.01 1f54 s ASP 20 CO 0.03 -1.82 1.73 0.50 0.52 0.00 0.00 175.17 176.13 1f54 h LYS 21 N 10.51 0.62 0.00 4.34 3.64 -1.88 -1.77 116.57 132.03 1f54 h LYS 21 Ca -0.27 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.02 1f54 h LYS 21 Cb 1.07 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.77 1f54 h LYS 21 CO 1.25 0.52 0.00 -0.44 -2.27 0.00 0.00 179.45 178.51 1f54 h ASP 22 N 0.56 0.00 -1.14 4.20 5.19 -1.90 -3.45 116.42 119.89 1f54 h ASP 22 Ca 0.15 0.00 -0.37 0.00 -0.62 0.00 0.00 57.03 56.19 1f54 h ASP 22 Cb 0.10 0.00 -0.15 0.00 0.18 0.00 0.00 39.33 39.46 1f54 h ASP 22 CO -0.02 0.00 -0.33 -3.20 -3.12 0.00 0.00 179.24 172.57 1f54 n ASN 23 N -2.62 -4.75 -0.72 6.45 5.15 -0.67 -4.77 115.26 113.33 1f54 n ASN 23 Ca 0.01 0.44 0.09 0.00 -0.60 0.00 0.00 54.58 54.53 1f54 n ASN 23 Cb 0.26 -4.25 0.07 0.00 -0.53 0.00 0.00 39.78 35.32 1f54 n ASN 23 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 1f54 n ASN 24 N -1.05 2.49 0.00 1.20 3.02 -1.26 -4.93 115.26 114.73 1f54 n ASN 24 Ca -0.18 -1.74 0.00 0.00 -0.03 0.00 0.00 54.58 52.63 1f54 n ASN 24 Cb 0.59 0.04 0.00 0.00 -0.61 0.00 0.00 39.78 39.80 1f54 n ASN 24 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1f54 n GLY 25 N 1.07 1.56 2.82 7.41 0.00 -1.26 -5.05 105.19 111.74 1f54 n GLY 25 Ca 0.11 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.98 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 0.14 0.41 1.61 1.04 -1.26 -1.80 113.70 111.84 1f54 s SER 26 Ca 0.00 0.16 0.06 0.00 0.48 0.00 0.00 55.95 56.65 1f54 s SER 26 Cb 0.00 0.05 -0.07 0.00 0.10 0.00 0.00 66.02 66.10 1f54 s SER 26 CO 0.00 -0.16 0.02 0.27 0.98 0.00 0.00 173.24 174.35 1f54 s ILE 27 N 1.30 1.73 0.23 -1.02 -4.36 -0.47 -4.40 121.20 114.21 1f54 s ILE 27 Ca -0.07 -2.00 -0.06 0.00 -0.26 0.00 0.00 60.65 58.26 1f54 s ILE 27 Cb -0.12 -2.86 -0.06 0.00 1.25 0.00 0.00 42.46 40.67 1f54 s ILE 27 CO -0.04 0.00 0.50 -0.44 0.24 0.00 0.00 174.94 175.19 1f54 s SER 28 N -3.69 6.51 0.20 4.36 0.01 -1.26 0.23 113.70 120.07 1f54 s SER 28 Ca 0.32 0.73 -0.19 0.00 1.31 0.00 0.00 55.95 58.12 1f54 s SER 28 Cb 0.09 -2.15 0.18 0.00 0.21 0.00 0.00 66.02 64.35 1f54 s SER 28 CO 0.16 -0.08 1.58 0.77 0.41 0.00 0.00 173.24 176.07 1f54 h SER 29 N 2.27 -1.19 -1.30 2.44 4.64 -1.97 0.95 113.55 119.38 1f54 h SER 29 Ca -0.47 0.25 0.38 0.00 -0.47 0.00 0.00 61.79 61.48 1f54 h SER 29 Cb 1.18 0.62 -0.08 0.00 -0.31 0.00 0.00 62.40 63.80 1f54 h SER 29 CO 0.69 -0.30 0.90 -1.28 -0.87 0.00 0.00 176.83 175.97 1f54 h SER 30 N -0.10 0.15 0.69 4.97 0.87 -1.93 0.63 113.55 118.83 1f54 h SER 30 Ca 0.28 0.05 -0.26 0.00 -1.23 0.00 0.00 61.79 60.62 1f54 h SER 30 Cb 0.57 0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 62.54 1f54 h SER 30 CO -0.78 -0.02 -1.30 -0.33 -0.53 0.00 0.00 176.83 173.88 1f54 h GLU 31 N 0.11 0.14 -0.79 2.24 5.08 0.51 -3.32 114.58 118.54 1f54 h GLU 31 Ca 0.68 -0.24 0.05 0.00 -1.00 0.00 0.00 59.36 58.85 1f54 h GLU 31 Cb 2.38 0.09 -0.06 0.00 0.50 0.00 0.00 28.75 31.67 1f54 h GLU 31 CO -0.16 1.03 0.48 1.25 -1.00 0.00 0.00 179.01 180.62 1f54 h LEU 32 N 0.04 0.76 -0.78 1.33 5.85 0.14 -1.60 115.31 121.05 1f54 h LEU 32 Ca -0.14 0.02 0.10 0.00 0.84 0.00 0.00 57.88 58.70 1f54 h LEU 32 Cb 1.92 -0.14 -0.07 0.00 0.37 0.00 0.00 40.66 42.73 1f54 h LEU 32 CO 0.15 0.50 0.41 0.00 -0.34 0.00 0.00 178.44 179.16 1f54 h ALA 33 N 1.37 1.10 0.25 1.25 0.00 -1.57 -0.32 119.26 121.35 1f54 h ALA 33 Ca 0.34 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.29 1f54 h ALA 33 Cb 0.14 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1f54 h ALA 33 CO -0.16 0.01 -0.12 1.15 0.00 0.00 0.00 179.25 180.12 1f54 h THR 34 N 0.68 0.00 -1.53 0.00 2.02 -1.44 -2.48 112.91 110.17 1f54 h THR 34 Ca 0.38 -0.03 0.45 0.00 0.77 0.00 0.00 66.41 67.98 1f54 h THR 34 Cb 0.40 0.00 -0.08 0.00 -1.74 0.00 0.00 68.15 66.74 1f54 h THR 34 CO -0.27 0.00 1.08 -0.37 0.37 0.00 0.00 175.52 176.33 1f54 h VAL 35 N -0.37 0.21 0.85 3.16 -1.51 -1.32 0.13 116.25 117.40 1f54 h VAL 35 Ca -0.03 -0.01 -0.04 0.00 -1.23 0.00 0.00 66.70 65.38 1f54 h VAL 35 Cb 0.26 0.17 0.01 0.00 -2.13 0.00 0.00 31.29 29.60 1f54 h VAL 35 CO 0.06 0.01 -0.41 -0.03 -1.23 0.00 0.00 177.57 175.96 1f54 h MET 36 N 0.03 -1.10 0.00 5.19 4.05 -0.61 -2.35 114.93 120.14 1f54 h MET 36 Ca 0.76 0.08 0.00 0.00 -0.28 0.00 0.00 59.70 60.26 1f54 h MET 36 Cb 2.90 0.25 0.00 0.00 -0.80 0.00 0.00 31.60 33.95 1f54 h MET 36 CO -0.08 -0.74 0.00 0.00 0.23 0.00 0.00 176.91 176.32 1f54 h ARG 37 N -1.15 0.00 -0.10 0.39 3.08 -0.71 -3.00 114.38 112.89 1f54 h ARG 37 Ca -0.12 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 59.83 1f54 h ARG 37 Cb 0.88 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.91 1f54 h ARG 37 CO 0.19 0.00 -0.42 1.03 -1.07 0.00 0.00 179.97 179.71 1f54 h SER 38 N 0.00 0.24 0.19 7.04 0.87 -0.60 -2.77 113.55 118.53 1f54 h SER 38 Ca 0.00 -0.10 -0.04 0.00 -1.23 0.00 0.00 61.79 60.41 1f54 h SER 38 Cb 0.56 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 62.45 1f54 h SER 38 CO 0.00 0.64 -0.20 -0.07 -0.53 0.00 0.00 176.83 176.67 1f54 h LEU 39 N 0.20 0.01 0.00 2.23 3.38 -1.27 -3.45 115.31 116.41 1f54 h LEU 39 Ca 0.02 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1f54 h LEU 39 Cb 0.82 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.57 1f54 h LEU 39 CO 0.06 0.20 0.00 0.61 0.09 0.00 0.00 178.44 179.41 1f54 n GLY 40 N -0.96 0.16 3.34 0.83 0.00 -1.06 -5.12 105.19 102.38 1f54 n GLY 40 Ca -0.02 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.83 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 1.41 -0.38 0.99 2.34 -1.15 -5.06 118.68 116.83 1f54 s LEU 41 Ca 0.00 -1.60 -0.01 0.00 0.06 0.00 0.00 54.13 52.58 1f54 s LEU 41 Cb 0.00 0.81 0.19 0.00 -0.56 0.00 0.00 46.19 46.63 1f54 s LEU 41 CO 0.00 -1.09 0.87 -0.55 -1.06 0.00 0.00 176.35 174.51 1f54 s SER 42 N -3.29 -0.88 0.00 1.48 0.15 -1.26 -4.12 113.70 105.78 1f54 s SER 42 Ca 0.37 -0.57 0.00 0.00 0.70 0.00 0.00 55.95 56.45 1f54 s SER 42 Cb 0.02 1.13 0.00 0.00 -1.71 0.00 0.00 66.02 65.46 1f54 s SER 42 CO 0.23 -0.08 0.00 -0.81 1.20 0.00 0.00 173.24 173.77 1f54 n PRO 43 N 3.75 1.15 -4.43 5.44 -0.04 -1.26 -5.07 135.00 134.54 1f54 n PRO 43 Ca 0.10 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.31 1f54 n PRO 43 Cb 0.60 0.00 -0.11 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 -1.42 3.35 0.10 3.54 0.01 -1.26 -4.99 113.70 113.02 1f54 s SER 44 Ca 0.00 -0.95 -0.23 0.00 1.31 0.00 0.00 55.95 56.09 1f54 s SER 44 Cb 0.00 -0.25 -0.07 0.00 0.21 0.00 0.00 66.02 65.91 1f54 s SER 44 CO 0.00 0.05 1.39 -0.33 0.41 0.00 0.00 173.24 174.75 1f54 h GLU 45 N 2.77 -0.15 -0.87 12.44 4.39 -1.99 0.40 114.58 131.58 1f54 h GLU 45 Ca -0.43 0.01 0.23 0.00 0.34 0.00 0.00 59.36 59.51 1f54 h GLU 45 Cb 1.23 0.03 -0.14 0.00 -0.10 0.00 0.00 28.75 29.78 1f54 h GLU 45 CO 0.54 -0.10 0.25 0.00 -1.16 0.00 0.00 179.01 178.54 1f54 h ALA 46 N -0.19 1.26 -0.49 3.43 0.00 -2.00 0.78 119.26 122.06 1f54 h ALA 46 Ca 0.08 0.21 -0.02 0.00 0.00 0.00 0.00 54.91 55.18 1f54 h ALA 46 Cb 0.36 0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 1f54 h ALA 46 CO -0.54 -0.44 0.20 1.49 0.00 0.00 0.00 179.25 179.96 1f54 h GLU 47 N 0.23 0.70 -0.14 0.00 4.57 -0.73 -2.71 114.58 116.49 1f54 h GLU 47 Ca 0.54 -0.09 -0.08 0.00 -1.18 0.00 0.00 59.36 58.55 1f54 h GLU 47 Cb 1.07 -0.13 -0.00 0.00 -0.16 0.00 0.00 28.75 29.52 1f54 h GLU 47 CO -0.63 0.57 -0.21 0.28 -1.18 0.00 0.00 179.01 177.84 1f54 h VAL 48 N 0.70 1.36 -0.40 0.32 2.07 0.31 -0.78 116.25 119.83 1f54 h VAL 48 Ca 0.17 -1.43 0.08 0.00 0.82 0.00 0.00 66.70 66.34 1f54 h VAL 48 Cb 0.13 1.95 -0.08 0.00 -1.52 0.00 0.00 31.29 31.77 1f54 h VAL 48 CO -0.02 0.42 -0.12 -1.13 0.02 0.00 0.00 177.57 176.75 1f54 h ASN 49 N 0.01 -0.42 -0.23 0.57 -1.24 -0.73 0.93 115.58 114.47 1f54 h ASN 49 Ca 0.01 0.13 -0.12 0.00 0.71 0.00 0.00 56.30 57.03 1f54 h ASN 49 Cb 0.78 0.27 -0.00 0.00 0.73 0.00 0.00 38.32 40.09 1f54 h ASN 49 CO 0.05 -0.15 -0.30 0.44 -1.29 0.00 0.00 177.43 176.18 1f54 h ASP 50 N -0.02 0.67 -0.91 1.15 5.19 -1.51 0.59 116.42 121.58 1f54 h ASP 50 Ca 0.19 -0.50 0.10 0.00 -0.62 0.00 0.00 57.03 56.20 1f54 h ASP 50 Cb 0.32 -0.19 -0.08 0.00 0.18 0.00 0.00 39.33 39.56 1f54 h ASP 50 CO -0.42 1.04 0.55 0.25 -3.12 0.00 0.00 179.24 177.54 1f54 h LEU 51 N 0.32 0.81 0.03 1.55 5.85 -0.47 -1.78 115.31 121.61 1f54 h LEU 51 Ca 0.03 0.04 -0.29 0.00 0.84 0.00 0.00 57.88 58.50 1f54 h LEU 51 Cb 0.88 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.75 1f54 h LEU 51 CO 0.07 0.46 -1.65 0.24 -0.34 0.00 0.00 178.44 177.21 1f54 h MET 52 N 0.91 0.06 0.00 1.25 2.86 -0.78 -3.32 114.93 115.91 1f54 h MET 52 Ca 0.44 -0.11 0.00 0.00 -2.06 0.00 0.00 59.70 57.97 1f54 h MET 52 Cb 0.39 0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.09 1f54 h MET 52 CO -0.25 0.71 0.00 -0.91 1.06 0.00 0.00 176.91 177.53 1f54 h ASN 53 N 0.02 0.00 1.03 1.22 -0.26 0.68 2.09 115.58 120.35 1f54 h ASN 53 Ca -0.27 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.47 1f54 h ASN 53 Cb 1.99 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 39.25 1f54 h ASN 53 CO 0.09 0.00 -0.62 -0.33 -1.06 0.00 0.00 177.43 175.52 1f54 h GLU 54 N 0.00 0.00 0.00 0.81 3.07 -1.44 -3.37 114.58 113.66 1f54 h GLU 54 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1f54 h GLU 54 Cb 0.11 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.02 1f54 h GLU 54 CO 0.00 0.00 -0.99 1.51 -1.40 0.00 0.00 179.01 178.13 1f54 n ILE 55 N -2.34 0.00 0.60 3.13 3.06 -0.23 -4.59 119.36 118.99 1f54 n ILE 55 Ca 0.03 0.00 0.08 0.00 -2.50 0.00 0.00 62.75 60.35 1f54 n ILE 55 Cb 0.47 -0.04 0.35 0.00 0.54 0.00 0.00 39.64 40.97 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 -1.67 0.00 0.00 9.51 -0.08 0.69 -4.86 116.55 120.14 1f54 n ASP 56 Ca 0.00 0.38 0.00 0.00 -1.51 0.00 0.00 54.79 53.66 1f54 n ASP 56 Cb 0.18 -0.44 0.00 0.00 2.34 0.00 0.00 41.12 43.19 1f54 n ASP 56 CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84 1f54 n VAL 57 N -1.44 0.00 -3.36 5.18 0.31 -1.26 -3.87 118.33 113.89 1f54 n VAL 57 Ca 0.05 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.26 1f54 n VAL 57 Cb 0.17 0.00 -0.08 0.00 -0.91 0.00 0.00 33.84 33.02 1f54 n VAL 57 CO 0.00 0.00 0.00 1.51 -1.32 0.00 0.00 176.83 177.02 1f54 s ASP 58 N -4.00 0.81 0.22 4.52 -4.77 -1.26 -5.00 116.67 107.19 1f54 s ASP 58 Ca 0.00 -0.29 0.00 0.00 -3.30 0.00 0.00 52.55 48.96 1f54 s ASP 58 Cb 0.00 0.87 0.00 0.00 -1.09 0.00 0.00 42.92 42.70 1f54 s ASP 58 CO 0.00 -0.35 0.00 0.61 0.70 0.00 0.00 175.17 176.13 1f54 n GLY 59 N 5.34 1.11 2.56 2.12 0.00 -1.25 -4.93 105.19 110.13 1f54 n GLY 59 Ca -0.02 -0.84 -0.21 0.00 0.00 0.00 0.00 46.02 44.94 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 2.15 2.20 -3.61 1.61 5.03 -1.26 -4.95 115.26 116.43 1f54 n ASN 60 Ca 0.00 -2.60 -0.01 0.00 0.87 0.00 0.00 54.58 52.84 1f54 n ASN 60 Cb 0.00 0.48 -0.01 0.00 -1.02 0.00 0.00 39.78 39.22 1f54 n ASN 60 CO 0.00 0.00 0.00 -1.38 -1.83 0.00 0.00 177.26 174.05 1f54 s HIS 61 N -2.48 -0.05 -0.49 3.10 -3.43 -1.26 -4.90 115.29 105.78 1f54 s HIS 61 Ca 0.07 0.01 -0.18 0.00 -0.80 0.00 0.00 55.06 54.16 1f54 s HIS 61 Cb 0.00 0.52 0.06 0.00 -1.43 0.00 0.00 32.58 31.73 1f54 s HIS 61 CO 0.05 -0.13 0.55 1.14 -2.00 0.00 0.00 174.74 174.34 1f54 s GLN 62 N -2.23 3.07 0.79 -0.38 0.00 -1.26 -3.79 119.66 115.87 1f54 s GLN 62 Ca 0.12 -1.04 -0.11 0.00 -0.00 0.00 0.00 55.36 54.33 1f54 s GLN 62 Cb 0.02 -4.11 0.07 0.00 0.00 0.00 0.00 33.01 28.99 1f54 s GLN 62 CO -0.04 -1.15 1.09 0.42 0.00 0.00 0.00 175.29 175.60 1f54 s ILE 63 N 2.29 3.22 -0.06 3.63 1.01 0.64 -4.80 121.20 127.13 1f54 s ILE 63 Ca 0.11 0.40 0.03 0.00 0.00 0.00 0.00 60.65 61.19 1f54 s ILE 63 Cb -0.21 -3.04 0.01 0.00 0.01 0.00 0.00 42.46 39.23 1f54 s ILE 63 CO 0.10 -0.52 -0.14 -1.61 0.00 0.00 0.00 174.94 172.77 1f54 s GLU 64 N -5.04 1.81 0.37 2.79 2.02 -1.26 -1.37 118.70 118.03 1f54 s GLU 64 Ca 0.61 -0.49 0.20 0.00 0.02 0.00 0.00 54.97 55.31 1f54 s GLU 64 Cb -0.16 -1.49 1.24 0.00 0.10 0.00 0.00 34.13 33.82 1f54 s GLU 64 CO 0.55 0.09 1.63 0.35 0.02 0.00 0.00 175.26 177.90 1f54 h PHE 65 N 6.77 0.80 0.00 1.61 3.57 -1.75 0.27 116.94 128.22 1f54 h PHE 65 Ca -0.30 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.23 1f54 h PHE 65 Cb 1.19 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 39.73 1f54 h PHE 65 CO 0.47 -0.26 0.00 0.43 -2.23 0.00 0.00 178.31 176.72 1f54 n SER 66 N -5.02 0.00 -0.38 0.41 7.64 -1.26 -2.20 113.62 112.81 1f54 n SER 66 Ca 0.35 0.56 0.30 0.00 1.01 0.00 0.00 58.87 61.08 1f54 n SER 66 Cb 1.17 -0.13 0.59 0.00 -1.01 0.00 0.00 64.21 64.83 1f54 n SER 66 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 1f54 h GLU 67 N 0.00 0.23 0.18 1.43 4.22 -1.87 0.32 114.58 119.09 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 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.18 1f54 h GLU 67 CO 0.00 0.15 -0.31 0.35 -2.18 0.00 0.00 179.01 177.02 1f54 h PHE 68 N 0.23 -0.88 -0.12 0.92 3.57 -0.41 -1.97 116.94 118.29 1f54 h PHE 68 Ca 0.70 0.02 -0.12 0.00 3.53 0.00 0.00 57.97 62.09 1f54 h PHE 68 Cb 2.04 0.36 0.00 0.00 2.79 0.00 0.00 35.95 41.14 1f54 h PHE 68 CO -0.00 -0.38 -0.41 -0.07 -2.23 0.00 0.00 178.31 175.22 1f54 h LEU 69 N -0.53 0.57 -1.72 0.59 4.07 -0.78 -1.09 115.31 116.42 1f54 h LEU 69 Ca -0.02 -0.61 0.36 0.00 0.08 0.00 0.00 57.88 57.69 1f54 h LEU 69 Cb 0.49 -0.17 -0.05 0.00 1.08 0.00 0.00 40.66 42.01 1f54 h LEU 69 CO -0.11 1.08 1.06 0.00 -1.08 0.00 0.00 178.44 179.39 1f54 h ALA 70 N 0.50 3.14 0.00 1.53 0.00 -0.37 0.22 119.26 124.29 1f54 h ALA 70 Ca -0.02 -0.04 -0.31 0.00 0.00 0.00 0.00 54.91 54.54 1f54 h ALA 70 Cb 1.03 0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.86 1f54 h ALA 70 CO 0.09 -1.70 -2.18 1.28 0.00 0.00 0.00 179.25 176.73 1f54 n LEU 71 N -3.77 0.53 0.30 0.00 4.32 -0.75 -4.33 117.00 113.31 1f54 n LEU 71 Ca 0.27 -0.02 0.18 0.00 -0.02 0.00 0.00 56.01 56.42 1f54 n LEU 71 Cb 1.45 0.21 0.98 0.00 -1.62 0.00 0.00 43.42 44.44 1f54 n LEU 71 CO 0.35 0.50 1.11 -0.03 -1.22 0.00 0.00 177.39 178.10 1f54 h MET 72 N 0.00 0.00 0.00 3.23 4.05 0.74 -2.01 114.93 120.94 1f54 h MET 72 Ca -0.47 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 58.95 1f54 h MET 72 Cb 2.00 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.80 1f54 h MET 72 CO 0.01 0.03 0.27 0.77 0.23 0.00 0.00 176.91 178.21 1f54 h SER 73 N 0.00 0.00 0.42 1.39 0.02 -1.45 0.64 113.55 114.57 1f54 h SER 73 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1f54 h SER 73 Cb 0.12 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.66 1f54 h SER 73 CO 0.00 0.00 -0.08 -2.11 -1.14 0.00 0.00 176.83 173.50 1f54 n ARG 74 N -2.67 0.60 -3.69 3.45 -4.01 -0.76 -4.83 116.66 104.76 1f54 n ARG 74 Ca -0.02 -0.16 -0.14 0.00 -1.04 0.00 0.00 57.85 56.50 1f54 n ARG 74 Cb 0.31 -1.50 -0.09 0.00 -3.04 0.00 0.00 32.46 28.15 1f54 n ARG 74 CO 0.00 0.00 0.00 -0.65 -3.04 0.00 0.00 177.63 173.94 1f54 s GLN 75 N -2.51 0.65 0.00 2.89 -1.52 0.22 -5.03 119.66 114.36 1f54 s GLN 75 Ca 0.29 0.56 0.00 0.00 -1.95 0.00 0.00 55.36 54.26 1f54 s GLN 75 Cb 0.20 0.31 0.00 0.00 -0.22 0.00 0.00 33.01 33.30 1f54 s GLN 75 CO 0.47 -0.11 0.00 -0.11 -0.25 0.00 0.00 175.29 175.30 1f54 n LEU 76 N 2.45 0.00 0.00 2.90 7.94 -1.26 -4.84 117.00 124.19 1f54 n LEU 76 Ca -0.15 0.00 0.15 0.00 -1.11 0.00 0.00 56.01 54.91 1f54 n LEU 76 Cb 0.56 0.03 0.92 0.00 0.53 0.00 0.00 43.42 45.46 1f54 n LEU 76 CO 0.12 -0.03 1.08 0.29 -1.11 0.00 0.00 177.39 177.75