#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 -1.10 0.00 4.04 0.01 -1.26 -5.15 113.70 110.24 1f54 s SER 2 Ca 0.00 -1.38 0.00 0.00 1.31 0.00 0.00 55.95 55.88 1f54 s SER 2 Cb 0.00 1.69 0.00 0.00 0.21 0.00 0.00 66.02 67.92 1f54 s SER 2 CO 0.00 -0.13 0.00 -0.46 0.41 0.00 0.00 173.24 173.06 1f54 n ASN 3 N 3.69 0.00 -3.90 2.44 0.23 -1.26 -5.04 115.26 111.42 1f54 n ASN 3 Ca 0.15 -0.85 -0.25 0.00 -0.53 0.00 0.00 54.58 53.10 1f54 n ASN 3 Cb 0.55 0.00 0.11 0.00 -2.08 0.00 0.00 39.78 38.36 1f54 n ASN 3 CO 0.00 0.00 0.00 -0.11 -0.93 0.00 0.00 177.26 176.22 1f54 n LEU 4 N 0.00 -2.12 0.00 -4.53 7.94 -1.26 -5.01 117.00 112.02 1f54 n LEU 4 Ca 0.00 -0.17 0.00 0.00 -1.11 0.00 0.00 56.01 54.73 1f54 n LEU 4 Cb 0.00 -0.72 0.00 0.00 0.53 0.00 0.00 43.42 43.23 1f54 n LEU 4 CO 0.00 -2.85 0.00 0.41 -1.11 0.00 0.00 177.39 173.84 1f54 n THR 5 N -4.01 0.00 0.12 1.96 -1.04 -1.26 -4.96 114.28 105.09 1f54 n THR 5 Ca 0.02 0.00 -0.05 0.00 -2.04 0.00 0.00 64.05 61.98 1f54 n THR 5 Cb 0.48 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 68.96 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 -0.32 -0.84 -2.82 4.39 -1.99 -1.30 114.58 111.71 1f54 h GLU 6 Ca 0.00 0.02 0.07 0.00 0.34 0.00 0.00 59.36 59.80 1f54 h GLU 6 Cb 0.00 0.07 -0.06 0.00 -0.10 0.00 0.00 28.75 28.67 1f54 h GLU 6 CO 0.00 -0.21 0.55 0.93 -1.16 0.00 0.00 179.01 179.12 1f54 h GLU 7 N -0.44 0.86 0.43 2.33 3.07 -1.99 -1.51 114.58 117.32 1f54 h GLU 7 Ca -0.03 -0.05 -0.02 0.00 -0.50 0.00 0.00 59.36 58.75 1f54 h GLU 7 Cb 0.25 -0.19 0.00 0.00 -0.84 0.00 0.00 28.75 27.97 1f54 h GLU 7 CO 0.05 0.57 -0.21 0.37 -1.40 0.00 0.00 179.01 178.40 1f54 h GLN 8 N 0.89 -0.55 -1.01 2.33 5.75 -1.94 -2.55 115.11 118.02 1f54 h GLN 8 Ca 0.37 0.04 0.24 0.00 -0.15 0.00 0.00 58.65 59.15 1f54 h GLN 8 Cb 0.29 0.13 -0.11 0.00 1.07 0.00 0.00 27.48 28.85 1f54 h GLN 8 CO -0.14 -0.37 0.62 0.82 -2.65 0.00 0.00 178.83 177.11 1f54 h ILE 9 N -0.58 0.57 0.13 2.39 2.04 -1.10 -1.92 117.51 119.05 1f54 h ILE 9 Ca -0.06 -0.19 0.00 0.00 1.00 0.00 0.00 64.86 65.62 1f54 h ILE 9 Cb 0.44 -0.03 -0.03 0.00 -0.74 0.00 0.00 36.82 36.46 1f54 h ILE 9 CO 0.10 0.10 -0.37 0.00 0.00 0.00 0.00 178.15 177.98 1f54 h ALA 10 N 1.68 -0.90 -0.93 1.87 0.00 -1.02 0.71 119.26 120.67 1f54 h ALA 10 Ca 0.61 -0.09 0.21 0.00 0.00 0.00 0.00 54.91 55.64 1f54 h ALA 10 Cb 1.24 0.73 -0.07 0.00 0.00 0.00 0.00 17.79 19.69 1f54 h ALA 10 CO -0.39 -0.97 0.61 0.93 0.00 0.00 0.00 179.25 179.42 1f54 h GLU 11 N -0.56 0.44 -0.52 0.00 5.08 -0.95 0.53 114.58 118.59 1f54 h GLU 11 Ca -0.01 -0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 58.28 1f54 h GLU 11 Cb 0.54 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.67 1f54 h GLU 11 CO -0.17 0.29 0.14 0.74 -1.00 0.00 0.00 179.01 179.01 1f54 h PHE 12 N 0.45 0.86 0.14 4.33 -1.00 -0.69 -2.65 116.94 118.37 1f54 h PHE 12 Ca 0.50 -0.10 0.01 0.00 2.81 0.00 0.00 57.97 61.19 1f54 h PHE 12 Cb 1.18 -0.24 -0.02 0.00 3.61 0.00 0.00 35.95 40.48 1f54 h PHE 12 CO -0.00 0.75 -0.16 -0.22 -1.61 0.00 0.00 178.31 177.07 1f54 h LYS 13 N 0.72 -0.32 -0.92 1.51 1.63 0.13 -0.26 116.57 119.06 1f54 h LYS 13 Ca 0.16 0.02 0.17 0.00 -0.85 0.00 0.00 60.65 60.15 1f54 h LYS 13 Cb 0.31 0.07 -0.10 0.00 -0.60 0.00 0.00 32.23 31.91 1f54 h LYS 13 CO -0.00 -0.21 0.51 1.49 -3.45 0.00 0.00 179.45 177.79 1f54 h GLU 14 N -0.33 0.66 0.00 1.90 4.81 -1.39 0.12 114.58 120.35 1f54 h GLU 14 Ca 0.01 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1f54 h GLU 14 Cb 0.33 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.56 1f54 h GLU 14 CO -0.05 0.44 0.00 0.00 -0.73 0.00 0.00 179.01 178.67 1f54 n ALA 15 N -2.39 -0.27 -0.33 2.92 0.00 -0.79 -0.57 120.51 119.08 1f54 n ALA 15 Ca 0.20 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.71 1f54 n ALA 15 Cb 0.50 0.00 0.17 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 -0.32 0.00 0.00 3.57 -0.95 1.79 116.94 121.02 1f54 h PHE 16 Ca 0.00 0.08 -0.00 0.00 3.53 0.00 0.00 57.97 61.57 1f54 h PHE 16 Cb 0.00 0.29 -0.00 0.00 2.79 0.00 0.00 35.95 39.03 1f54 h PHE 16 CO 0.12 -0.39 -0.02 0.00 -2.23 0.00 0.00 178.31 175.80 1f54 h ALA 17 N 1.92 1.00 0.00 2.41 0.00 -0.83 -2.65 119.26 121.12 1f54 h ALA 17 Ca 0.49 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.38 1f54 h ALA 17 Cb 0.84 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1f54 h ALA 17 CO -0.92 0.02 0.00 1.25 0.00 0.00 0.00 179.25 179.60 1f54 h LEU 18 N 0.00 0.00 -2.10 0.00 6.46 0.53 -2.58 115.31 117.62 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 0.53 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.46 1f54 h LEU 18 CO 0.00 0.00 0.00 0.49 -0.62 0.00 0.00 178.44 178.31 1f54 n PHE 19 N -2.67 0.00 -1.84 1.25 3.01 -1.02 -4.97 117.46 111.22 1f54 n PHE 19 Ca -0.01 -0.29 -0.25 0.00 1.01 0.00 0.00 57.45 57.91 1f54 n PHE 19 Cb 0.16 -0.03 -0.05 0.00 -0.01 0.00 0.00 39.48 39.55 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 -0.58 4.68 0.22 4.37 -4.77 -0.97 -4.77 116.67 114.85 1f54 s ASP 20 Ca 0.00 -0.09 -0.06 0.00 -3.30 0.00 0.00 52.55 49.10 1f54 s ASP 20 Cb 0.00 -2.55 0.20 0.00 -1.09 0.00 0.00 42.92 39.48 1f54 s ASP 20 CO 0.00 -3.07 1.71 0.50 0.70 0.00 0.00 175.17 175.00 1f54 h LYS 21 N 13.23 0.96 0.00 2.11 3.64 -1.90 -2.05 116.57 132.56 1f54 h LYS 21 Ca -0.03 -0.27 0.00 0.00 -1.27 0.00 0.00 60.65 59.08 1f54 h LYS 21 Cb 1.06 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.77 1f54 h LYS 21 CO 1.14 0.93 0.00 -0.25 -2.27 0.00 0.00 179.45 179.00 1f54 n ASP 22 N -4.20 0.47 -1.57 4.20 8.00 -1.26 -4.86 116.55 117.33 1f54 n ASP 22 Ca 0.03 0.59 -0.20 0.00 0.71 0.00 0.00 54.79 55.92 1f54 n ASP 22 Cb 0.31 -0.70 -0.08 0.00 -0.02 0.00 0.00 41.12 40.63 1f54 n ASP 22 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1f54 n ASN 23 N -1.98 -5.18 -1.96 -2.24 5.03 -0.77 -4.83 115.26 103.32 1f54 n ASN 23 Ca 0.04 0.49 -0.24 0.00 0.87 0.00 0.00 54.58 55.74 1f54 n ASN 23 Cb 0.27 -4.60 0.06 0.00 -1.02 0.00 0.00 39.78 34.49 1f54 n ASN 23 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 1f54 n ASN 24 N -1.24 5.22 -1.84 6.41 3.02 -1.26 -4.89 115.26 120.69 1f54 n ASN 24 Ca -0.20 -3.77 -0.19 0.00 -0.03 0.00 0.00 54.58 50.39 1f54 n ASN 24 Cb 0.65 -0.52 -0.05 0.00 -0.61 0.00 0.00 39.78 39.24 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 -0.81 0.76 2.88 7.41 0.00 -1.26 -4.96 105.19 109.20 1f54 n GLY 25 Ca 0.47 -0.08 -0.14 0.00 0.00 0.00 0.00 46.02 46.27 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 -2.47 0.22 0.18 1.61 1.04 -1.26 -1.55 113.70 111.47 1f54 s SER 26 Ca 0.00 -0.03 0.06 0.00 0.48 0.00 0.00 55.95 56.47 1f54 s SER 26 Cb 0.00 -0.05 -0.05 0.00 0.10 0.00 0.00 66.02 66.02 1f54 s SER 26 CO 0.00 -0.00 -0.13 0.27 0.98 0.00 0.00 173.24 174.36 1f54 s ILE 27 N 0.17 1.50 0.42 -1.02 -4.36 -0.62 -4.21 121.20 113.09 1f54 s ILE 27 Ca -0.01 -2.13 -0.22 0.00 -0.26 0.00 0.00 60.65 58.03 1f54 s ILE 27 Cb -0.03 -1.94 -0.11 0.00 1.25 0.00 0.00 42.46 41.63 1f54 s ILE 27 CO -0.00 -0.64 0.96 -0.44 0.24 0.00 0.00 174.94 175.05 1f54 s SER 28 N -3.21 6.92 0.29 4.36 0.01 -1.26 0.11 113.70 120.92 1f54 s SER 28 Ca 0.20 1.74 -0.00 0.00 1.31 0.00 0.00 55.95 59.20 1f54 s SER 28 Cb 0.00 -2.55 0.67 0.00 0.21 0.00 0.00 66.02 64.36 1f54 s SER 28 CO 0.04 -0.37 1.61 0.77 0.41 0.00 0.00 173.24 175.70 1f54 h SER 29 N 2.06 -0.30 -0.90 2.44 4.64 -1.83 1.07 113.55 120.72 1f54 h SER 29 Ca -0.49 0.24 0.19 0.00 -0.47 0.00 0.00 61.79 61.26 1f54 h SER 29 Cb 1.19 0.39 -0.07 0.00 -0.31 0.00 0.00 62.40 63.60 1f54 h SER 29 CO 0.61 -0.26 0.59 -1.28 -0.87 0.00 0.00 176.83 175.63 1f54 h SER 30 N 0.09 0.47 0.48 4.97 0.87 -1.91 0.35 113.55 118.86 1f54 h SER 30 Ca 0.54 0.05 -0.24 0.00 -1.23 0.00 0.00 61.79 60.91 1f54 h SER 30 Cb 1.09 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 63.01 1f54 h SER 30 CO -0.78 0.19 -1.03 -0.33 -0.53 0.00 0.00 176.83 174.35 1f54 h GLU 31 N 0.47 0.33 -0.97 2.24 4.39 0.81 -3.24 114.58 118.61 1f54 h GLU 31 Ca 0.47 -0.41 0.09 0.00 0.34 0.00 0.00 59.36 59.85 1f54 h GLU 31 Cb 1.08 0.13 -0.07 0.00 -0.10 0.00 0.00 28.75 29.79 1f54 h GLU 31 CO -0.20 1.12 0.62 1.25 -1.16 0.00 0.00 179.01 180.64 1f54 h LEU 32 N 0.16 0.94 -0.71 1.33 5.85 -0.07 -1.27 115.31 121.53 1f54 h LEU 32 Ca -0.09 0.02 0.07 0.00 0.84 0.00 0.00 57.88 58.72 1f54 h LEU 32 Cb 1.69 -0.17 -0.06 0.00 0.37 0.00 0.00 40.66 42.49 1f54 h LEU 32 CO 0.17 0.56 0.40 0.00 -0.34 0.00 0.00 178.44 179.23 1f54 h ALA 33 N 1.51 0.97 0.37 1.25 0.00 -1.51 -0.71 119.26 121.13 1f54 h ALA 33 Ca 0.44 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.36 1f54 h ALA 33 Cb 0.33 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1f54 h ALA 33 CO -0.20 0.07 -0.18 1.15 0.00 0.00 0.00 179.25 180.09 1f54 h THR 34 N 0.72 0.00 -1.41 0.00 2.02 -1.36 -2.65 112.91 110.22 1f54 h THR 34 Ca 0.32 -0.07 0.43 0.00 0.77 0.00 0.00 66.41 67.86 1f54 h THR 34 Cb 0.22 0.00 -0.10 0.00 -1.74 0.00 0.00 68.15 66.54 1f54 h THR 34 CO -0.20 0.00 0.96 -0.37 0.37 0.00 0.00 175.52 176.29 1f54 h VAL 35 N -0.57 0.21 0.84 3.16 -1.51 -1.37 0.19 116.25 117.21 1f54 h VAL 35 Ca -0.05 -0.03 -0.04 0.00 -1.23 0.00 0.00 66.70 65.35 1f54 h VAL 35 Cb 0.38 0.11 0.01 0.00 -2.13 0.00 0.00 31.29 29.66 1f54 h VAL 35 CO 0.08 0.02 -0.41 -0.03 -1.23 0.00 0.00 177.57 176.00 1f54 h MET 36 N 0.09 -1.10 0.00 5.19 4.05 -0.79 -2.32 114.93 120.05 1f54 h MET 36 Ca 0.77 0.07 0.00 0.00 -0.28 0.00 0.00 59.70 60.26 1f54 h MET 36 Cb 2.66 0.25 0.00 0.00 -0.80 0.00 0.00 31.60 33.71 1f54 h MET 36 CO -0.22 -0.73 0.00 -0.09 0.23 0.00 0.00 176.91 176.10 1f54 h ARG 37 N -1.14 0.00 -0.12 0.39 1.12 -0.75 -2.90 114.38 110.98 1f54 h ARG 37 Ca -0.12 0.00 -0.12 0.00 -1.11 0.00 0.00 59.98 58.64 1f54 h ARG 37 Cb 0.87 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 30.82 1f54 h ARG 37 CO 0.19 0.00 -0.45 0.77 -3.11 0.00 0.00 179.97 177.37 1f54 h SER 38 N 0.00 0.32 0.27 -3.80 0.02 -0.38 -2.81 113.55 107.16 1f54 h SER 38 Ca 0.00 -0.14 -0.04 0.00 -0.84 0.00 0.00 61.79 60.77 1f54 h SER 38 Cb 0.47 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.91 1f54 h SER 38 CO 0.00 0.73 -0.19 -0.07 -1.14 0.00 0.00 176.83 176.16 1f54 h LEU 39 N 0.24 0.00 0.00 5.07 3.38 -1.20 -3.45 115.31 119.35 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 0.89 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.64 1f54 h LEU 39 CO 0.07 0.19 0.00 0.61 0.09 0.00 0.00 178.44 179.40 1f54 n GLY 40 N -0.82 0.54 3.29 0.83 0.00 -1.07 -5.14 105.19 102.82 1f54 n GLY 40 Ca -0.02 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.81 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 1.70 -0.38 0.99 2.34 -1.20 -5.07 118.68 117.07 1f54 s LEU 41 Ca 0.00 -1.73 -0.02 0.00 0.06 0.00 0.00 54.13 52.44 1f54 s LEU 41 Cb 0.00 0.58 0.19 0.00 -0.56 0.00 0.00 46.19 46.40 1f54 s LEU 41 CO 0.00 -1.06 0.89 -0.55 -1.06 0.00 0.00 176.35 174.57 1f54 s SER 42 N -3.36 -0.83 0.00 1.48 0.15 -1.26 -4.13 113.70 105.75 1f54 s SER 42 Ca 0.40 -0.58 0.00 0.00 0.70 0.00 0.00 55.95 56.48 1f54 s SER 42 Cb 0.02 1.07 0.00 0.00 -1.71 0.00 0.00 66.02 65.41 1f54 s SER 42 CO 0.27 -0.08 0.00 -0.81 1.20 0.00 0.00 173.24 173.82 1f54 n PRO 43 N 3.65 1.07 -4.33 5.44 -0.04 -1.26 -5.10 135.00 134.44 1f54 n PRO 43 Ca 0.10 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.39 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 -1.38 1.28 0.09 3.54 0.01 -1.26 -5.01 113.70 110.98 1f54 s SER 44 Ca 0.00 -1.41 -0.21 0.00 1.31 0.00 0.00 55.95 55.64 1f54 s SER 44 Cb 0.00 0.20 -0.06 0.00 0.21 0.00 0.00 66.02 66.37 1f54 s SER 44 CO 0.00 -0.76 1.35 -0.33 0.41 0.00 0.00 173.24 173.92 1f54 h GLU 45 N 2.35 -0.15 -0.78 12.44 5.08 -1.99 -0.05 114.58 131.47 1f54 h GLU 45 Ca -0.38 0.01 0.12 0.00 -1.00 0.00 0.00 59.36 58.12 1f54 h GLU 45 Cb 1.25 0.03 -0.13 0.00 0.50 0.00 0.00 28.75 30.40 1f54 h GLU 45 CO 0.60 -0.10 -0.38 0.00 -1.00 0.00 0.00 179.01 178.12 1f54 h ALA 46 N -0.31 -0.01 -0.66 3.43 0.00 -2.00 1.25 119.26 120.97 1f54 h ALA 46 Ca 0.07 0.21 0.17 0.00 0.00 0.00 0.00 54.91 55.35 1f54 h ALA 46 Cb 0.34 0.93 -0.03 0.00 0.00 0.00 0.00 17.79 19.02 1f54 h ALA 46 CO -0.47 -0.68 0.46 1.49 0.00 0.00 0.00 179.25 180.05 1f54 h GLU 47 N -0.09 0.15 -0.01 0.00 4.57 -1.49 -1.77 114.58 115.94 1f54 h GLU 47 Ca 0.27 -0.01 -0.04 0.00 -1.18 0.00 0.00 59.36 58.41 1f54 h GLU 47 Cb 0.57 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.13 1f54 h GLU 47 CO -0.83 0.10 -0.13 0.28 -1.18 0.00 0.00 179.01 177.25 1f54 h VAL 48 N 0.15 1.56 -0.79 0.32 2.07 0.32 -1.83 116.25 118.05 1f54 h VAL 48 Ca 0.32 -1.84 0.19 0.00 0.82 0.00 0.00 66.70 66.18 1f54 h VAL 48 Cb 1.04 2.75 -0.12 0.00 -1.52 0.00 0.00 31.29 33.43 1f54 h VAL 48 CO -0.05 0.49 0.17 -1.13 0.02 0.00 0.00 177.57 177.07 1f54 h ASN 49 N -0.60 -0.06 -0.01 0.57 -0.73 -0.02 0.17 115.58 114.92 1f54 h ASN 49 Ca -0.02 0.17 -0.01 0.00 1.87 0.00 0.00 56.30 58.32 1f54 h ASN 49 Cb 0.88 0.25 0.00 0.00 0.27 0.00 0.00 38.32 39.72 1f54 h ASN 49 CO 0.03 -0.10 -0.03 -0.78 -0.37 0.00 0.00 177.43 176.17 1f54 h ASP 50 N 0.22 0.04 -0.79 1.15 1.82 -1.54 -0.66 116.42 116.65 1f54 h ASP 50 Ca 0.46 -0.69 0.15 0.00 -0.39 0.00 0.00 57.03 56.57 1f54 h ASP 50 Cb 0.85 -0.01 -0.10 0.00 0.68 0.00 0.00 39.33 40.75 1f54 h ASP 50 CO -0.59 0.73 0.34 -0.07 -1.61 0.00 0.00 179.24 178.03 1f54 h LEU 51 N -0.64 0.33 0.02 2.28 3.38 -0.42 -1.92 115.31 118.33 1f54 h LEU 51 Ca -0.00 0.11 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 1f54 h LEU 51 Cb 0.73 0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.56 1f54 h LEU 51 CO 0.01 0.11 -0.01 0.24 0.09 0.00 0.00 178.44 178.88 1f54 h MET 52 N 0.47 -0.02 -0.49 1.13 2.86 -0.75 -3.15 114.93 114.98 1f54 h MET 52 Ca 0.45 0.00 0.14 0.00 -2.06 0.00 0.00 59.70 58.23 1f54 h MET 52 Cb 0.70 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.34 1f54 h MET 52 CO -0.42 0.69 0.79 -0.91 1.06 0.00 0.00 176.91 178.12 1f54 h ASN 53 N -0.78 0.00 -0.29 1.22 2.35 -0.63 2.61 115.58 120.06 1f54 h ASN 53 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1f54 h ASN 53 Cb 0.72 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.09 1f54 h ASN 53 CO 0.00 0.00 0.00 -0.62 -1.65 0.00 0.00 177.43 175.16 1f54 n GLU 54 N -3.21 1.91 0.00 0.81 4.71 -0.77 -4.40 120.64 119.68 1f54 n GLU 54 Ca 0.10 -1.39 0.00 0.00 -0.01 0.00 0.00 57.16 55.87 1f54 n GLU 54 Cb 0.96 -1.38 0.00 0.00 -1.01 0.00 0.00 31.44 30.01 1f54 n GLU 54 CO 0.00 0.00 0.00 1.51 0.09 0.00 0.00 177.13 178.73 1f54 n ILE 55 N 0.61 0.00 -0.11 -3.67 3.06 0.69 -4.94 119.36 115.00 1f54 n ILE 55 Ca 0.16 0.00 -0.05 0.00 -2.50 0.00 0.00 62.75 60.35 1f54 n ILE 55 Cb 0.37 -0.02 0.02 0.00 0.54 0.00 0.00 39.64 40.55 1f54 n ILE 55 CO 0.00 0.00 0.00 -0.78 -2.50 0.00 0.00 176.55 173.27 1f54 h ASP 56 N 0.00 -0.13 0.00 9.51 1.82 0.32 -3.43 116.42 124.51 1f54 h ASP 56 Ca 0.00 0.08 0.00 0.00 -0.39 0.00 0.00 57.03 56.72 1f54 h ASP 56 Cb 0.00 0.14 0.00 0.00 0.68 0.00 0.00 39.33 40.15 1f54 h ASP 56 CO 0.00 -0.03 0.00 0.52 -1.61 0.00 0.00 179.24 178.12 1f54 n VAL 57 N -5.17 0.00 0.00 2.25 0.31 -1.24 -3.00 118.33 111.47 1f54 n VAL 57 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.35 1f54 n VAL 57 Cb 0.19 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.12 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 1.61 0.00 0.00 4.52 9.92 -1.26 -5.04 116.55 126.30 1f54 n ASP 58 Ca 0.00 0.46 0.00 0.00 -0.53 0.00 0.00 54.79 54.72 1f54 n ASP 58 Cb 0.00 -0.37 0.00 0.00 -0.64 0.00 0.00 41.12 40.11 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 1.60 -1.65 2.90 0.44 0.00 -1.16 -5.02 105.19 102.30 1f54 n GLY 59 Ca 0.00 0.58 -0.41 0.00 0.00 0.00 0.00 46.02 46.19 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 0.00 6.31 -4.94 1.61 3.02 -1.26 -4.67 115.26 115.33 1f54 n ASN 60 Ca 0.00 -3.46 -0.24 0.00 -0.03 0.00 0.00 54.58 50.85 1f54 n ASN 60 Cb 0.00 -1.20 0.01 0.00 -0.61 0.00 0.00 39.78 37.99 1f54 n ASN 60 CO 0.00 0.00 0.00 -1.38 -2.62 0.00 0.00 177.26 173.26 1f54 s HIS 61 N -3.00 3.23 -0.52 3.10 -3.43 -1.26 -4.96 115.29 108.46 1f54 s HIS 61 Ca 0.33 0.33 -0.19 0.00 -0.80 0.00 0.00 55.06 54.73 1f54 s HIS 61 Cb 0.08 -2.40 0.07 0.00 -1.43 0.00 0.00 32.58 28.90 1f54 s HIS 61 CO 0.07 -0.45 0.61 -0.65 -2.00 0.00 0.00 174.74 172.31 1f54 s GLN 62 N -4.65 3.09 0.86 -0.38 1.11 -1.26 -3.54 119.66 114.89 1f54 s GLN 62 Ca 0.49 -1.02 -0.12 0.00 0.01 0.00 0.00 55.36 54.73 1f54 s GLN 62 Cb -0.10 -4.13 0.10 0.00 -1.01 0.00 0.00 33.01 27.87 1f54 s GLN 62 CO 0.39 -1.25 1.10 0.42 0.01 0.00 0.00 175.29 175.97 1f54 s ILE 63 N 2.50 2.78 -0.06 1.08 1.01 0.31 -4.78 121.20 124.03 1f54 s ILE 63 Ca 0.13 0.25 0.02 0.00 0.00 0.00 0.00 60.65 61.05 1f54 s ILE 63 Cb -0.21 -2.87 0.01 0.00 0.01 0.00 0.00 42.46 39.41 1f54 s ILE 63 CO 0.10 -0.33 -0.10 -1.61 0.00 0.00 0.00 174.94 173.00 1f54 s GLU 64 N -5.06 1.47 0.37 2.79 2.02 -1.26 -1.58 118.70 117.44 1f54 s GLU 64 Ca 0.62 -0.34 0.19 0.00 0.02 0.00 0.00 54.97 55.47 1f54 s GLU 64 Cb -0.16 -1.25 1.23 0.00 0.10 0.00 0.00 34.13 34.05 1f54 s GLU 64 CO 0.55 0.01 1.63 0.35 0.02 0.00 0.00 175.26 177.82 1f54 h PHE 65 N 6.99 0.83 0.00 1.61 3.57 -1.66 0.20 116.94 128.49 1f54 h PHE 65 Ca -0.33 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.21 1f54 h PHE 65 Cb 1.18 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 39.71 1f54 h PHE 65 CO 0.49 -0.29 0.00 0.43 -2.23 0.00 0.00 178.31 176.71 1f54 n SER 66 N -5.07 0.00 -0.31 0.41 7.64 -1.26 -2.19 113.62 112.84 1f54 n SER 66 Ca 0.35 0.45 0.16 0.00 1.01 0.00 0.00 58.87 60.84 1f54 n SER 66 Cb 1.16 0.00 0.35 0.00 -1.01 0.00 0.00 64.21 64.71 1f54 n SER 66 CO 0.00 0.00 0.00 1.05 -3.01 0.00 0.00 175.04 173.08 1f54 h GLU 67 N 0.00 0.29 -0.63 1.43 4.11 -1.89 0.15 114.58 118.05 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 -0.07 -0.09 0.00 0.50 0.00 0.00 28.75 29.09 1f54 h GLU 67 CO 0.00 0.19 -0.53 0.35 0.07 0.00 0.00 179.01 179.09 1f54 h PHE 68 N 0.30 -1.67 -0.04 2.06 3.57 -0.57 -0.51 116.94 120.09 1f54 h PHE 68 Ca 0.61 0.10 -0.19 0.00 3.53 0.00 0.00 57.97 62.01 1f54 h PHE 68 Cb 1.26 0.81 0.01 0.00 2.79 0.00 0.00 35.95 40.82 1f54 h PHE 68 CO -0.15 -0.40 -0.71 -0.07 -2.23 0.00 0.00 178.31 174.74 1f54 h LEU 69 N -0.20 0.70 -1.49 0.59 4.07 -0.73 -1.06 115.31 117.18 1f54 h LEU 69 Ca 0.10 -0.71 0.22 0.00 0.08 0.00 0.00 57.88 57.57 1f54 h LEU 69 Cb 0.47 -0.21 -0.03 0.00 1.08 0.00 0.00 40.66 41.97 1f54 h LEU 69 CO -0.70 1.31 0.87 0.00 -1.08 0.00 0.00 178.44 178.84 1f54 h ALA 70 N 0.40 2.58 0.00 1.53 0.00 -0.03 0.15 119.26 123.89 1f54 h ALA 70 Ca -0.08 -0.03 -0.21 0.00 0.00 0.00 0.00 54.91 54.60 1f54 h ALA 70 Cb 1.38 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 19.19 1f54 h ALA 70 CO 0.14 -1.26 -1.84 1.28 0.00 0.00 0.00 179.25 177.58 1f54 n LEU 71 N -3.45 0.00 0.06 0.00 4.32 -0.27 -4.39 117.00 113.27 1f54 n LEU 71 Ca 0.16 0.00 0.09 0.00 -0.02 0.00 0.00 56.01 56.24 1f54 n LEU 71 Cb 1.12 0.28 0.40 0.00 -1.62 0.00 0.00 43.42 43.59 1f54 n LEU 71 CO 0.25 0.28 0.79 0.80 -1.22 0.00 0.00 177.39 178.29 1f54 n MET 72 N -2.41 0.09 -0.02 3.23 1.56 0.39 -2.27 117.12 117.69 1f54 n MET 72 Ca -0.19 0.33 0.04 0.00 -0.27 0.00 0.00 57.70 57.61 1f54 n MET 72 Cb 0.85 -1.68 0.18 0.00 2.15 0.00 0.00 33.22 34.73 1f54 n MET 72 CO 0.00 0.00 0.00 0.43 -0.73 0.00 0.00 175.97 175.67 1f54 n SER 73 N -1.85 0.24 0.21 6.12 7.64 -0.43 -3.56 113.62 121.99 1f54 n SER 73 Ca 0.03 -1.83 0.14 0.00 1.01 0.00 0.00 58.87 58.23 1f54 n SER 73 Cb 0.20 -0.03 0.49 0.00 -1.01 0.00 0.00 64.21 63.86 1f54 n SER 73 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 1f54 h ARG 74 N 0.27 0.00 -1.34 1.43 2.43 -1.74 -3.40 114.38 112.03 1f54 h ARG 74 Ca 0.00 0.00 -0.16 0.00 -0.81 0.00 0.00 59.98 59.01 1f54 h ARG 74 Cb 0.06 0.00 -0.24 0.00 -0.42 0.00 0.00 29.97 29.38 1f54 h ARG 74 CO 0.00 0.00 -0.52 1.14 -1.51 0.00 0.00 179.97 179.08 1f54 s GLN 75 N -3.41 0.72 0.13 0.20 0.00 -1.23 -5.15 119.66 110.91 1f54 s GLN 75 Ca 0.04 -0.36 0.02 0.00 -0.00 0.00 0.00 55.36 55.07 1f54 s GLN 75 Cb 0.08 -0.17 -0.04 0.00 0.00 0.00 0.00 33.01 32.88 1f54 s GLN 75 CO 0.55 -1.17 -0.04 -0.51 0.00 0.00 0.00 175.29 174.12 1f54 s LEU 76 N 1.84 2.35 0.00 2.60 1.43 -1.26 -5.10 118.68 120.54 1f54 s LEU 76 Ca 0.15 -1.07 0.00 0.00 -1.03 0.00 0.00 54.13 52.18 1f54 s LEU 76 Cb -0.09 -0.09 0.00 0.00 0.03 0.00 0.00 46.19 46.05 1f54 s LEU 76 CO -0.09 -0.49 0.33 1.17 0.23 0.00 0.00 176.35 177.49