#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 2.64 0.00 4.04 0.01 -1.26 -4.89 113.70 114.24 1f54 s SER 2 Ca 0.00 -0.68 0.00 0.00 1.31 0.00 0.00 55.95 56.58 1f54 s SER 2 Cb 0.00 -0.54 0.00 0.00 0.21 0.00 0.00 66.02 65.69 1f54 s SER 2 CO 0.00 -0.29 0.00 -0.46 0.41 0.00 0.00 173.24 172.90 1f54 n ASN 3 N 5.08 0.00 -3.78 2.44 0.23 -1.26 -5.16 115.26 112.82 1f54 n ASN 3 Ca -0.08 0.00 -0.04 0.00 -0.53 0.00 0.00 54.58 53.92 1f54 n ASN 3 Cb 0.48 0.00 -0.01 0.00 -2.08 0.00 0.00 39.78 38.16 1f54 n ASN 3 CO 0.00 0.00 0.00 -0.22 -0.93 0.00 0.00 177.26 176.11 1f54 s LEU 4 N 0.00 -0.20 0.00 -4.53 2.96 -1.26 -5.00 118.68 110.65 1f54 s LEU 4 Ca 0.00 -0.48 -0.02 0.00 -0.22 0.00 0.00 54.13 53.41 1f54 s LEU 4 Cb 0.00 2.33 0.01 0.00 0.50 0.00 0.00 46.19 49.03 1f54 s LEU 4 CO 0.00 -1.04 0.14 0.41 -1.32 0.00 0.00 176.35 174.54 1f54 n THR 5 N -0.47 0.00 0.00 3.68 -1.04 -1.26 -5.01 114.28 110.17 1f54 n THR 5 Ca -0.05 -0.26 0.00 0.00 -2.04 0.00 0.00 64.05 61.69 1f54 n THR 5 Cb 0.60 0.21 0.00 0.00 -1.82 0.00 0.00 70.33 69.32 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 -0.11 0.00 -0.31 -2.82 -0.58 -1.26 -2.06 120.64 113.50 1f54 n GLU 6 Ca -0.01 0.52 0.15 0.00 -0.42 0.00 0.00 57.16 57.40 1f54 n GLU 6 Cb 0.12 -1.48 0.31 0.00 -0.57 0.00 0.00 31.44 29.83 1f54 n GLU 6 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 1f54 h GLU 7 N 0.00 0.13 -0.03 3.49 3.07 -1.99 -0.93 114.58 118.32 1f54 h GLU 7 Ca 0.00 -0.01 0.01 0.00 -0.50 0.00 0.00 59.36 58.87 1f54 h GLU 7 Cb 0.00 -0.03 -0.04 0.00 -0.84 0.00 0.00 28.75 27.85 1f54 h GLU 7 CO 0.00 0.08 -0.32 0.37 -1.40 0.00 0.00 179.01 177.74 1f54 h GLN 8 N 0.13 -0.37 -1.01 2.33 5.75 -1.91 0.26 115.11 120.30 1f54 h GLN 8 Ca 0.59 0.03 0.23 0.00 -0.15 0.00 0.00 58.65 59.35 1f54 h GLN 8 Cb 1.24 0.08 -0.12 0.00 1.07 0.00 0.00 27.48 29.75 1f54 h GLN 8 CO -0.74 -0.25 0.61 0.82 -2.65 0.00 0.00 178.83 176.62 1f54 h ILE 9 N -0.38 0.57 -0.10 2.39 2.04 -0.60 0.11 117.51 121.54 1f54 h ILE 9 Ca 0.01 -0.21 -0.01 0.00 1.00 0.00 0.00 64.86 65.66 1f54 h ILE 9 Cb 0.42 -0.08 -0.00 0.00 -0.74 0.00 0.00 36.82 36.41 1f54 h ILE 9 CO -0.23 0.11 0.04 0.00 0.00 0.00 0.00 178.15 178.07 1f54 h ALA 10 N 1.70 0.12 -0.53 1.87 0.00 -0.37 -2.42 119.26 119.64 1f54 h ALA 10 Ca 0.63 -0.09 0.08 0.00 0.00 0.00 0.00 54.91 55.53 1f54 h ALA 10 Cb 1.18 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.90 1f54 h ALA 10 CO -0.44 -0.30 0.36 0.93 0.00 0.00 0.00 179.25 179.80 1f54 h GLU 11 N 0.00 0.35 -0.25 0.00 4.39 0.14 -1.77 114.58 117.45 1f54 h GLU 11 Ca 0.03 -0.02 -0.04 0.00 0.34 0.00 0.00 59.36 59.67 1f54 h GLU 11 Cb 0.16 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.72 1f54 h GLU 11 CO -0.00 0.23 0.01 0.74 -1.16 0.00 0.00 179.01 178.83 1f54 h PHE 12 N 0.36 0.47 0.21 4.33 -1.00 -0.87 -2.58 116.94 117.86 1f54 h PHE 12 Ca 0.24 -0.08 0.01 0.00 2.81 0.00 0.00 57.97 60.95 1f54 h PHE 12 Cb 0.47 -0.12 -0.02 0.00 3.61 0.00 0.00 35.95 39.88 1f54 h PHE 12 CO -0.00 0.58 -0.26 -0.22 -1.61 0.00 0.00 178.31 176.80 1f54 h LYS 13 N 0.22 -0.50 -1.00 1.51 3.64 -0.96 0.29 116.57 119.77 1f54 h LYS 13 Ca 0.07 0.03 0.20 0.00 -1.27 0.00 0.00 60.65 59.69 1f54 h LYS 13 Cb 0.39 0.11 -0.11 0.00 -0.41 0.00 0.00 32.23 32.21 1f54 h LYS 13 CO 0.01 -0.33 0.60 0.93 -2.27 0.00 0.00 179.45 178.39 1f54 h GLU 14 N -0.52 0.70 0.00 1.90 5.08 -1.46 0.10 114.58 120.38 1f54 h GLU 14 Ca 0.01 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1f54 h GLU 14 Cb 0.50 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.60 1f54 h GLU 14 CO -0.09 0.46 0.00 0.00 -1.00 0.00 0.00 179.01 178.38 1f54 n ALA 15 N -2.33 -0.25 -0.33 3.43 0.00 -0.68 -0.43 120.51 119.92 1f54 n ALA 15 Ca 0.24 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.73 1f54 n ALA 15 Cb 0.61 0.00 0.13 0.00 0.00 0.00 0.00 19.45 20.19 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 -0.47 0.00 0.00 3.57 -0.81 1.09 116.94 120.32 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 0.35 -0.01 0.00 2.79 0.00 0.00 35.95 39.08 1f54 h PHE 16 CO 0.11 -0.40 -0.39 0.00 -2.23 0.00 0.00 178.31 175.40 1f54 h ALA 17 N 1.93 1.34 -0.05 2.41 0.00 -0.87 -2.66 119.26 121.35 1f54 h ALA 17 Ca 0.45 -0.36 0.01 0.00 0.00 0.00 0.00 54.91 55.02 1f54 h ALA 17 Cb 0.70 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 1f54 h ALA 17 CO -0.95 0.49 0.37 1.25 0.00 0.00 0.00 179.25 180.41 1f54 h LEU 18 N 0.00 0.00 -2.91 0.00 6.46 0.40 0.19 115.31 119.45 1f54 h LEU 18 Ca -0.00 0.00 -0.00 0.00 -0.12 0.00 0.00 57.88 57.75 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 -0.09 0.49 -0.62 0.00 0.00 178.44 178.27 1f54 n PHE 19 N -2.97 0.00 -2.42 1.25 3.01 -1.01 -4.97 117.46 110.36 1f54 n PHE 19 Ca -0.01 -0.95 -0.38 0.00 1.01 0.00 0.00 57.45 57.12 1f54 n PHE 19 Cb 0.43 -0.15 -0.03 0.00 -0.01 0.00 0.00 39.48 39.72 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 -2.73 6.05 0.22 4.37 -4.77 0.66 -4.75 116.67 115.72 1f54 s ASP 20 Ca 0.30 -0.84 -0.08 0.00 -3.30 0.00 0.00 52.55 48.64 1f54 s ASP 20 Cb 0.26 -2.56 0.33 0.00 -1.09 0.00 0.00 42.92 39.86 1f54 s ASP 20 CO 0.02 -1.90 1.76 0.07 0.70 0.00 0.00 175.17 175.81 1f54 h LYS 21 N 10.67 0.48 0.00 2.11 2.10 -1.88 0.48 116.57 130.54 1f54 h LYS 21 Ca -0.01 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.61 1f54 h LYS 21 Cb 1.04 -0.11 0.00 0.00 -0.90 0.00 0.00 32.23 32.26 1f54 h LYS 21 CO 1.33 0.32 0.00 -0.25 -2.00 0.00 0.00 179.45 178.84 1f54 n ASP 22 N -4.94 0.00 -1.85 7.07 9.92 -1.26 -4.82 116.55 120.67 1f54 n ASP 22 Ca 0.11 0.10 -0.20 0.00 -0.53 0.00 0.00 54.79 54.27 1f54 n ASP 22 Cb 0.30 -0.29 -0.06 0.00 -0.64 0.00 0.00 41.12 40.43 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 -1.29 -5.36 0.00 -2.24 4.13 0.17 -4.86 115.26 105.82 1f54 n ASN 23 Ca 0.06 0.33 0.00 0.00 1.68 0.00 0.00 54.58 56.66 1f54 n ASN 23 Cb 0.11 -4.66 0.00 0.00 -1.54 0.00 0.00 39.78 33.69 1f54 n ASN 23 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 1f54 n ASN 24 N -1.49 0.00 -0.90 6.41 3.02 -1.26 -5.04 115.26 116.00 1f54 n ASN 24 Ca -0.21 0.00 -0.05 0.00 -0.03 0.00 0.00 54.58 54.29 1f54 n ASN 24 Cb 0.66 0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.78 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 4.17 0.63 3.11 7.41 0.00 -1.26 -5.03 105.19 114.22 1f54 n GLY 25 Ca 0.00 -0.03 -0.13 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.81 1.07 0.02 1.61 1.04 -1.26 -1.90 113.70 113.47 1f54 s SER 26 Ca 0.01 -0.69 -0.08 0.00 0.48 0.00 0.00 55.95 55.67 1f54 s SER 26 Cb 0.01 0.04 0.00 0.00 0.10 0.00 0.00 66.02 66.17 1f54 s SER 26 CO -0.01 -0.25 0.16 0.27 0.98 0.00 0.00 173.24 174.39 1f54 s ILE 27 N -1.98 0.10 0.53 -1.02 -4.36 -0.46 -4.23 121.20 109.78 1f54 s ILE 27 Ca -0.03 -0.83 -0.19 0.00 -0.26 0.00 0.00 60.65 59.34 1f54 s ILE 27 Cb -0.06 -0.71 -0.07 0.00 1.25 0.00 0.00 42.46 42.87 1f54 s ILE 27 CO -0.01 -0.46 1.06 -0.55 0.24 0.00 0.00 174.94 175.23 1f54 s SER 28 N -1.79 6.06 0.17 4.36 0.15 -1.26 0.73 113.70 122.11 1f54 s SER 28 Ca -0.09 1.95 -0.26 0.00 0.70 0.00 0.00 55.95 58.24 1f54 s SER 28 Cb -0.04 -2.56 0.02 0.00 -1.71 0.00 0.00 66.02 61.74 1f54 s SER 28 CO -0.01 -0.98 1.56 0.77 1.20 0.00 0.00 173.24 175.78 1f54 h SER 29 N 1.18 -1.61 -1.60 5.45 4.64 -1.96 0.89 113.55 120.54 1f54 h SER 29 Ca -0.49 0.26 0.47 0.00 -0.47 0.00 0.00 61.79 61.56 1f54 h SER 29 Cb 1.23 0.73 -0.08 0.00 -0.31 0.00 0.00 62.40 63.97 1f54 h SER 29 CO 0.58 -0.33 1.14 0.28 -0.87 0.00 0.00 176.83 177.63 1f54 h SER 30 N -0.21 0.05 0.54 4.97 0.02 -1.94 1.12 113.55 118.09 1f54 h SER 30 Ca 0.18 0.02 -0.27 0.00 -0.84 0.00 0.00 61.79 60.88 1f54 h SER 30 Cb 0.55 0.02 0.01 0.00 0.14 0.00 0.00 62.40 63.12 1f54 h SER 30 CO -0.73 -0.03 -1.20 -0.33 -1.14 0.00 0.00 176.83 173.41 1f54 h GLU 31 N 0.02 0.33 -0.96 3.45 5.08 0.44 -3.28 114.58 119.66 1f54 h GLU 31 Ca 0.79 -0.50 0.07 0.00 -1.00 0.00 0.00 59.36 58.72 1f54 h GLU 31 Cb 3.06 0.18 -0.07 0.00 0.50 0.00 0.00 28.75 32.42 1f54 h GLU 31 CO -0.08 1.22 0.61 1.25 -1.00 0.00 0.00 179.01 181.01 1f54 h LEU 32 N 0.11 0.97 -0.77 1.33 5.85 0.20 -1.41 115.31 121.58 1f54 h LEU 32 Ca -0.13 0.01 0.08 0.00 0.84 0.00 0.00 57.88 58.68 1f54 h LEU 32 Cb 1.91 -0.19 -0.07 0.00 0.37 0.00 0.00 40.66 42.68 1f54 h LEU 32 CO 0.20 0.61 0.44 0.00 -0.34 0.00 0.00 178.44 179.35 1f54 h ALA 33 N 1.45 1.08 0.32 1.25 0.00 -1.55 0.11 119.26 121.91 1f54 h ALA 33 Ca 0.42 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.34 1f54 h ALA 33 Cb 0.19 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1f54 h ALA 33 CO -0.18 0.09 -0.15 1.15 0.00 0.00 0.00 179.25 180.16 1f54 h THR 34 N 0.77 0.00 -1.37 0.00 2.02 -1.38 -2.45 112.91 110.49 1f54 h THR 34 Ca 0.36 -0.05 0.41 0.00 0.77 0.00 0.00 66.41 67.90 1f54 h THR 34 Cb 0.29 0.00 -0.09 0.00 -1.74 0.00 0.00 68.15 66.61 1f54 h THR 34 CO -0.22 0.00 0.94 -0.37 0.37 0.00 0.00 175.52 176.24 1f54 h VAL 35 N -0.48 0.24 0.89 3.16 -1.51 -1.34 0.20 116.25 117.41 1f54 h VAL 35 Ca -0.04 -0.03 -0.04 0.00 -1.23 0.00 0.00 66.70 65.35 1f54 h VAL 35 Cb 0.33 0.13 0.01 0.00 -2.13 0.00 0.00 31.29 29.63 1f54 h VAL 35 CO 0.07 0.02 -0.44 -0.03 -1.23 0.00 0.00 177.57 175.96 1f54 h MET 36 N 0.10 -1.16 0.00 5.19 4.05 -0.59 -2.36 114.93 120.16 1f54 h MET 36 Ca 0.74 0.08 0.00 0.00 -0.28 0.00 0.00 59.70 60.24 1f54 h MET 36 Cb 2.56 0.26 0.00 0.00 -0.80 0.00 0.00 31.60 33.62 1f54 h MET 36 CO -0.21 -0.77 0.00 -0.09 0.23 0.00 0.00 176.91 176.07 1f54 h ARG 37 N -1.21 0.00 -0.16 0.39 2.43 -0.59 -2.92 114.38 112.32 1f54 h ARG 37 Ca -0.12 0.00 -0.12 0.00 -0.81 0.00 0.00 59.98 58.93 1f54 h ARG 37 Cb 0.93 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.47 1f54 h ARG 37 CO 0.19 0.00 -0.41 0.77 -1.51 0.00 0.00 179.97 179.01 1f54 h SER 38 N 0.00 0.39 0.18 -3.80 0.02 -0.36 -2.77 113.55 107.21 1f54 h SER 38 Ca 0.00 -0.17 -0.03 0.00 -0.84 0.00 0.00 61.79 60.75 1f54 h SER 38 Cb 0.48 -0.11 -0.00 0.00 0.14 0.00 0.00 62.40 62.91 1f54 h SER 38 CO 0.00 0.77 -0.13 -0.07 -1.14 0.00 0.00 176.83 176.26 1f54 h LEU 39 N 0.31 0.00 0.00 5.07 3.38 -1.23 -3.45 115.31 119.39 1f54 h LEU 39 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 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 0.13 0.00 0.61 0.09 0.00 0.00 178.44 179.34 1f54 n GLY 40 N -1.04 0.75 3.40 0.83 0.00 -1.05 -5.13 105.19 102.95 1f54 n GLY 40 Ca -0.02 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.77 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 1.87 -0.40 0.99 2.34 -1.21 -5.07 118.68 117.20 1f54 s LEU 41 Ca 0.00 -1.74 0.01 0.00 0.06 0.00 0.00 54.13 52.46 1f54 s LEU 41 Cb 0.00 0.24 0.19 0.00 -0.56 0.00 0.00 46.19 46.06 1f54 s LEU 41 CO 0.00 -1.02 0.84 -0.55 -1.06 0.00 0.00 176.35 174.57 1f54 s SER 42 N -3.50 -0.98 0.00 1.48 0.15 -1.26 -4.26 113.70 105.33 1f54 s SER 42 Ca 0.31 -0.72 0.00 0.00 0.70 0.00 0.00 55.95 56.24 1f54 s SER 42 Cb 0.02 1.26 0.00 0.00 -1.71 0.00 0.00 66.02 65.59 1f54 s SER 42 CO 0.21 -0.08 0.00 -0.81 1.20 0.00 0.00 173.24 173.76 1f54 n PRO 43 N 3.64 1.07 -4.29 5.44 -0.04 -1.25 -5.10 135.00 134.47 1f54 n PRO 43 Ca 0.11 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.41 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 -1.54 -0.04 0.00 0.00 175.50 173.92 1f54 s SER 44 N -1.37 1.04 0.12 3.54 1.04 -1.26 -5.01 113.70 111.80 1f54 s SER 44 Ca 0.00 -1.37 -0.27 0.00 0.48 0.00 0.00 55.95 54.80 1f54 s SER 44 Cb 0.00 0.19 -0.08 0.00 0.10 0.00 0.00 66.02 66.23 1f54 s SER 44 CO 0.00 -0.73 1.45 -0.33 0.98 0.00 0.00 173.24 174.61 1f54 h GLU 45 N 2.44 -0.17 -0.82 4.02 5.08 -1.99 0.95 114.58 124.10 1f54 h GLU 45 Ca -0.38 0.01 0.15 0.00 -1.00 0.00 0.00 59.36 58.15 1f54 h GLU 45 Cb 1.24 0.04 -0.15 0.00 0.50 0.00 0.00 28.75 30.38 1f54 h GLU 45 CO 0.60 -0.11 -0.28 0.00 -1.00 0.00 0.00 179.01 178.22 1f54 h ALA 46 N -0.01 0.34 -0.76 3.43 0.00 -2.00 0.94 119.26 121.20 1f54 h ALA 46 Ca 0.10 0.28 0.10 0.00 0.00 0.00 0.00 54.91 55.39 1f54 h ALA 46 Cb 0.42 0.75 -0.05 0.00 0.00 0.00 0.00 17.79 18.91 1f54 h ALA 46 CO -0.63 -0.51 0.50 1.49 0.00 0.00 0.00 179.25 180.10 1f54 h GLU 47 N -0.04 0.64 -0.23 0.00 4.57 -1.26 -1.83 114.58 116.43 1f54 h GLU 47 Ca 0.35 -0.04 -0.09 0.00 -1.18 0.00 0.00 59.36 58.40 1f54 h GLU 47 Cb 0.60 -0.14 -0.00 0.00 -0.16 0.00 0.00 28.75 29.04 1f54 h GLU 47 CO -0.85 0.42 -0.22 0.28 -1.18 0.00 0.00 179.01 177.47 1f54 h VAL 48 N 0.66 1.32 -0.47 0.32 2.07 0.22 -0.90 116.25 119.47 1f54 h VAL 48 Ca 0.35 -1.37 0.09 0.00 0.82 0.00 0.00 66.70 66.58 1f54 h VAL 48 Cb 0.48 1.70 -0.07 0.00 -1.52 0.00 0.00 31.29 31.88 1f54 h VAL 48 CO -0.13 0.43 0.03 -1.13 0.02 0.00 0.00 177.57 176.78 1f54 h ASN 49 N 0.24 -0.14 -0.22 0.57 -0.73 -0.23 -0.74 115.58 114.33 1f54 h ASN 49 Ca 0.04 0.10 -0.15 0.00 1.87 0.00 0.00 56.30 58.16 1f54 h ASN 49 Cb 0.76 0.17 0.00 0.00 0.27 0.00 0.00 38.32 39.53 1f54 h ASN 49 CO 0.05 -0.04 -0.45 -0.78 -0.37 0.00 0.00 177.43 175.84 1f54 h ASP 50 N 0.14 0.78 -0.38 1.15 1.82 -1.47 -0.99 116.42 117.47 1f54 h ASP 50 Ca 0.24 -0.55 0.08 0.00 -0.39 0.00 0.00 57.03 56.40 1f54 h ASP 50 Cb 0.34 -0.23 -0.07 0.00 0.68 0.00 0.00 39.33 40.06 1f54 h ASP 50 CO -0.37 1.19 -0.06 -0.07 -1.61 0.00 0.00 179.24 178.31 1f54 h LEU 51 N 0.41 -0.29 -0.22 2.28 3.38 -0.48 -1.26 115.31 119.14 1f54 h LEU 51 Ca 0.01 0.11 -0.21 0.00 0.09 0.00 0.00 57.88 57.87 1f54 h LEU 51 Cb 1.06 0.21 0.01 0.00 0.09 0.00 0.00 40.66 42.03 1f54 h LEU 51 CO 0.10 -0.10 -0.74 0.24 0.09 0.00 0.00 178.44 178.03 1f54 h MET 52 N 0.03 0.75 0.00 1.13 2.86 -1.18 -2.94 114.93 115.58 1f54 h MET 52 Ca 0.19 -0.59 0.00 0.00 -2.06 0.00 0.00 59.70 57.23 1f54 h MET 52 Cb 0.28 0.12 0.00 0.00 0.06 0.00 0.00 31.60 32.06 1f54 h MET 52 CO -0.37 1.21 0.08 -0.91 1.06 0.00 0.00 176.91 177.97 1f54 h ASN 53 N 0.52 0.00 -0.51 1.22 2.35 -0.52 1.76 115.58 120.40 1f54 h ASN 53 Ca -0.04 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.71 1f54 h ASN 53 Cb 1.36 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.73 1f54 h ASN 53 CO 0.15 0.00 0.00 1.21 -1.65 0.00 0.00 177.43 177.14 1f54 n GLU 54 N -2.89 2.45 0.00 0.81 2.13 -0.54 -4.60 120.64 118.01 1f54 n GLU 54 Ca -0.02 -2.23 0.00 0.00 0.66 0.00 0.00 57.16 55.57 1f54 n GLU 54 Cb 0.14 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 30.34 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 1.36 0.00 -1.68 6.31 3.06 0.88 -5.08 119.36 124.21 1f54 n ILE 55 Ca 0.21 0.00 -0.45 0.00 -2.50 0.00 0.00 62.75 60.00 1f54 n ILE 55 Cb 0.56 -0.17 -0.04 0.00 0.54 0.00 0.00 39.64 40.53 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 -2.01 3.42 0.03 9.51 2.03 0.56 -4.87 116.55 125.22 1f54 n ASP 56 Ca 0.00 1.04 -0.11 0.00 0.52 0.00 0.00 54.79 56.24 1f54 n ASP 56 Cb 0.00 -1.45 -0.14 0.00 -0.72 0.00 0.00 41.12 38.81 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 4.19 1.15 0.00 5.18 2.07 -1.87 -3.45 116.25 123.51 1f54 h VAL 57 Ca -0.46 -2.89 0.00 0.00 0.82 0.00 0.00 66.70 64.17 1f54 h VAL 57 Cb 1.25 2.63 0.00 0.00 -1.52 0.00 0.00 31.29 33.65 1f54 h VAL 57 CO 0.92 0.73 0.00 0.47 0.02 0.00 0.00 177.57 179.71 1f54 n ASP 58 N -3.27 0.00 0.00 0.57 8.00 -1.26 -5.10 116.55 115.50 1f54 n ASP 58 Ca -0.13 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.37 1f54 n ASP 58 Cb 1.02 0.35 0.00 0.00 -0.02 0.00 0.00 41.12 42.48 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 -1.17 0.12 3.78 0.44 0.00 -1.26 -5.12 105.19 101.98 1f54 n GLY 59 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.95 4.71 -0.03 1.61 2.47 -1.26 -5.01 114.94 116.47 1f54 s ASN 60 Ca 0.00 -0.87 -0.31 0.00 0.42 0.00 0.00 52.86 52.11 1f54 s ASN 60 Cb 0.00 -0.60 0.12 0.00 -1.45 0.00 0.00 41.25 39.32 1f54 s ASN 60 CO 0.00 -0.49 1.32 -1.38 -3.72 0.00 0.00 177.10 172.83 1f54 s HIS 61 N -2.50 -0.02 -0.41 0.43 -3.43 -1.26 -4.81 115.29 103.29 1f54 s HIS 61 Ca 0.42 -0.06 -0.09 0.00 -0.80 0.00 0.00 55.06 54.53 1f54 s HIS 61 Cb -0.00 0.54 0.08 0.00 -1.43 0.00 0.00 32.58 31.76 1f54 s HIS 61 CO 0.24 -0.22 0.24 1.14 -2.00 0.00 0.00 174.74 174.15 1f54 s GLN 62 N -2.26 2.58 0.79 -0.38 1.03 -1.26 -3.99 119.66 116.17 1f54 s GLN 62 Ca 0.17 -1.45 -0.11 0.00 0.04 0.00 0.00 55.36 54.01 1f54 s GLN 62 Cb 0.04 -3.75 0.07 0.00 0.03 0.00 0.00 33.01 29.41 1f54 s GLN 62 CO -0.04 -0.94 1.09 0.42 -2.54 0.00 0.00 175.29 173.29 1f54 s ILE 63 N 1.41 3.23 -0.09 3.63 1.01 0.22 -4.73 121.20 125.88 1f54 s ILE 63 Ca 0.03 0.40 0.03 0.00 0.00 0.00 0.00 60.65 61.11 1f54 s ILE 63 Cb -0.23 -2.89 0.01 0.00 0.01 0.00 0.00 42.46 39.36 1f54 s ILE 63 CO 0.02 -0.52 -0.20 -1.61 0.00 0.00 0.00 174.94 172.63 1f54 s GLU 64 N -4.91 2.57 0.43 2.79 0.41 -1.26 -1.35 118.70 117.37 1f54 s GLU 64 Ca 0.61 -0.71 0.28 0.00 -0.41 0.00 0.00 54.97 54.75 1f54 s GLU 64 Cb -0.17 -2.00 1.38 0.00 -1.78 0.00 0.00 34.13 31.56 1f54 s GLU 64 CO 0.56 0.10 1.64 0.35 -0.49 0.00 0.00 175.26 177.42 1f54 h PHE 65 N 6.88 0.55 0.00 1.61 3.57 -1.77 0.64 116.94 128.42 1f54 h PHE 65 Ca -0.24 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.28 1f54 h PHE 65 Cb 1.22 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 39.82 1f54 h PHE 65 CO 0.48 -0.18 0.00 0.43 -2.23 0.00 0.00 178.31 176.80 1f54 n SER 66 N -4.70 0.00 -0.31 0.41 7.64 -1.26 -2.42 113.62 112.98 1f54 n SER 66 Ca 0.36 0.46 0.17 0.00 1.01 0.00 0.00 58.87 60.87 1f54 n SER 66 Cb 1.36 0.00 0.36 0.00 -1.01 0.00 0.00 64.21 64.91 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 0.27 -0.47 1.43 4.11 -1.88 0.11 114.58 118.15 1f54 h GLU 67 Ca 0.00 -0.02 0.05 0.00 0.07 0.00 0.00 59.36 59.46 1f54 h GLU 67 Cb 0.00 -0.06 -0.07 0.00 0.50 0.00 0.00 28.75 29.12 1f54 h GLU 67 CO 0.00 0.18 -0.41 0.35 0.07 0.00 0.00 179.01 179.20 1f54 h PHE 68 N 0.27 -1.28 -0.21 2.06 3.57 -0.88 0.16 116.94 120.63 1f54 h PHE 68 Ca 0.62 0.07 -0.18 0.00 3.53 0.00 0.00 57.97 62.01 1f54 h PHE 68 Cb 1.30 0.62 0.00 0.00 2.79 0.00 0.00 35.95 40.67 1f54 h PHE 68 CO -0.16 -0.32 -0.56 -0.07 -2.23 0.00 0.00 178.31 174.97 1f54 h LEU 69 N -0.17 0.87 -1.86 0.59 4.07 -0.90 -0.70 115.31 117.21 1f54 h LEU 69 Ca 0.08 -0.57 0.12 0.00 0.08 0.00 0.00 57.88 57.59 1f54 h LEU 69 Cb 0.37 -0.25 -0.02 0.00 1.08 0.00 0.00 40.66 41.84 1f54 h LEU 69 CO -0.53 1.28 0.52 0.00 -1.08 0.00 0.00 178.44 178.63 1f54 h ALA 70 N 0.61 2.12 0.00 1.53 0.00 -0.01 -1.16 119.26 122.34 1f54 h ALA 70 Ca -0.01 -0.01 -0.37 0.00 0.00 0.00 0.00 54.91 54.52 1f54 h ALA 70 Cb 1.18 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.93 1f54 h ALA 70 CO 0.12 -0.74 -2.39 1.28 0.00 0.00 0.00 179.25 177.52 1f54 n LEU 71 N -3.55 2.59 0.33 0.00 4.77 0.50 -4.29 117.00 117.35 1f54 n LEU 71 Ca 0.08 -0.12 0.22 0.00 -0.03 0.00 0.00 56.01 56.17 1f54 n LEU 71 Cb 0.69 -0.69 1.18 0.00 -2.33 0.00 0.00 43.42 42.28 1f54 n LEU 71 CO 0.25 0.86 1.18 0.24 -1.33 0.00 0.00 177.39 178.58 1f54 h MET 72 N 0.00 0.00 0.00 3.23 2.86 -0.14 -2.00 114.93 118.87 1f54 h MET 72 Ca -0.55 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.09 1f54 h MET 72 Cb 1.90 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.56 1f54 h MET 72 CO -0.07 0.00 0.30 1.03 1.06 0.00 0.00 176.91 179.23 1f54 h SER 73 N 0.00 0.00 -0.00 1.22 0.87 -1.44 -3.34 113.55 110.86 1f54 h SER 73 Ca -0.00 0.00 -0.61 0.00 -1.23 0.00 0.00 61.79 59.95 1f54 h SER 73 Cb 0.03 0.00 0.10 0.00 -0.44 0.00 0.00 62.40 62.09 1f54 h SER 73 CO 0.00 0.00 1.77 0.54 -0.53 0.00 0.00 176.83 178.61 1f54 n ARG 74 N -2.71 0.67 -1.86 2.24 5.12 -0.76 -4.53 116.66 114.83 1f54 n ARG 74 Ca -0.02 -1.39 0.00 0.00 -1.93 0.00 0.00 57.85 54.52 1f54 n ARG 74 Cb 0.34 -2.70 0.00 0.00 -1.16 0.00 0.00 32.46 28.94 1f54 n ARG 74 CO 0.00 0.00 0.00 0.94 -1.93 0.00 0.00 177.63 176.64 1f54 n GLN 75 N 7.56 -4.57 -2.84 5.56 7.27 -1.25 -4.86 117.38 124.25 1f54 n GLN 75 Ca 0.48 3.34 -0.42 0.00 0.07 0.00 0.00 57.00 60.47 1f54 n GLN 75 Cb 0.41 -3.63 -0.04 0.00 2.41 0.00 0.00 30.24 29.40 1f54 n GLN 75 CO 0.00 0.00 0.00 -1.17 0.07 0.00 0.00 177.06 175.96 1f54 s LEU 76 N -0.44 4.08 0.00 1.69 2.96 -1.26 -5.04 118.68 120.67 1f54 s LEU 76 Ca 0.00 1.11 0.00 0.00 -0.22 0.00 0.00 54.13 55.02 1f54 s LEU 76 Cb 0.00 -3.26 0.00 0.00 0.50 0.00 0.00 46.19 43.43 1f54 s LEU 76 CO 0.00 -0.55 0.00 2.29 -1.32 0.00 0.00 176.35 176.77