#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 0.95 -4.57 -3.46 7.64 -1.26 -5.04 113.62 107.89 1f54 n SER 2 Ca 0.00 -0.29 -0.33 0.00 1.01 0.00 0.00 58.87 59.26 1f54 n SER 2 Cb 0.00 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.16 1f54 n SER 2 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 1f54 s ASN 3 N 0.42 5.69 0.48 6.43 3.84 -1.26 -4.82 114.94 125.73 1f54 s ASN 3 Ca 0.00 -1.38 0.00 0.00 0.21 0.00 0.00 52.86 51.69 1f54 s ASN 3 Cb 0.00 -2.57 0.00 0.00 -0.55 0.00 0.00 41.25 38.13 1f54 s ASN 3 CO 0.00 -2.30 0.00 -0.11 -2.79 0.00 0.00 177.10 171.90 1f54 n LEU 4 N 12.03 -0.85 0.00 3.21 7.94 -1.26 -5.05 117.00 133.02 1f54 n LEU 4 Ca 0.41 1.95 0.00 0.00 -1.11 0.00 0.00 56.01 57.26 1f54 n LEU 4 Cb 0.48 -4.14 0.00 0.00 0.53 0.00 0.00 43.42 40.29 1f54 n LEU 4 CO 0.66 -2.61 0.00 0.41 -1.11 0.00 0.00 177.39 174.74 1f54 n THR 5 N -4.16 0.00 0.02 1.96 -1.04 -1.26 -5.00 114.28 104.80 1f54 n THR 5 Ca -0.05 0.00 -0.01 0.00 -2.04 0.00 0.00 64.05 61.95 1f54 n THR 5 Cb 0.66 0.00 -0.00 0.00 -1.82 0.00 0.00 70.33 69.17 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 -0.06 -0.94 -2.82 5.08 -2.00 -1.96 114.58 111.89 1f54 h GLU 6 Ca 0.00 0.00 0.21 0.00 -1.00 0.00 0.00 59.36 58.58 1f54 h GLU 6 Cb 0.00 0.01 -0.12 0.00 0.50 0.00 0.00 28.75 29.15 1f54 h GLU 6 CO 0.00 -0.04 0.50 0.93 -1.00 0.00 0.00 179.01 179.40 1f54 h GLU 7 N -0.07 0.53 0.20 2.33 5.08 -1.99 -1.60 114.58 119.06 1f54 h GLU 7 Ca -0.01 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 1f54 h GLU 7 Cb 0.05 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 1f54 h GLU 7 CO 0.01 0.35 -0.19 0.37 -1.00 0.00 0.00 179.01 178.55 1f54 h GLN 8 N 0.54 -0.37 -1.10 2.33 4.15 -1.95 0.18 115.11 118.89 1f54 h GLN 8 Ca 0.58 0.03 0.31 0.00 0.77 0.00 0.00 58.65 60.33 1f54 h GLN 8 Cb 1.03 0.08 -0.10 0.00 0.21 0.00 0.00 27.48 28.71 1f54 h GLN 8 CO -0.47 -0.25 0.72 0.82 -1.93 0.00 0.00 178.83 177.72 1f54 h ILE 9 N -0.38 0.43 0.34 2.39 2.04 -0.85 -0.10 117.51 121.38 1f54 h ILE 9 Ca -0.03 -0.10 -0.02 0.00 1.00 0.00 0.00 64.86 65.71 1f54 h ILE 9 Cb 0.33 0.11 0.00 0.00 -0.74 0.00 0.00 36.82 36.52 1f54 h ILE 9 CO -0.01 0.06 -0.16 0.00 0.00 0.00 0.00 178.15 178.03 1f54 h ALA 10 N 1.60 -0.46 -0.52 1.87 0.00 -0.48 -2.18 119.26 119.10 1f54 h ALA 10 Ca 0.64 -0.16 0.11 0.00 0.00 0.00 0.00 54.91 55.50 1f54 h ALA 10 Cb 1.77 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 19.72 1f54 h ALA 10 CO -0.30 -0.66 0.36 0.93 0.00 0.00 0.00 179.25 179.57 1f54 h GLU 11 N -0.66 0.19 -0.30 0.00 4.39 0.84 -1.32 114.58 117.72 1f54 h GLU 11 Ca -0.05 -0.01 -0.07 0.00 0.34 0.00 0.00 59.36 59.57 1f54 h GLU 11 Cb 0.47 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.06 1f54 h GLU 11 CO 0.08 0.13 -0.10 0.74 -1.16 0.00 0.00 179.01 178.69 1f54 h PHE 12 N 0.20 0.69 0.04 4.33 -1.00 -1.00 -2.67 116.94 117.53 1f54 h PHE 12 Ca 0.24 -0.16 0.02 0.00 2.81 0.00 0.00 57.97 60.88 1f54 h PHE 12 Cb 0.69 -0.16 -0.02 0.00 3.61 0.00 0.00 35.95 40.07 1f54 h PHE 12 CO -0.00 0.81 -0.13 -0.22 -1.61 0.00 0.00 178.31 177.16 1f54 h LYS 13 N 0.37 -0.22 -0.80 1.51 3.64 -0.61 -0.50 116.57 119.96 1f54 h LYS 13 Ca 0.07 0.02 0.13 0.00 -1.27 0.00 0.00 60.65 59.59 1f54 h LYS 13 Cb 0.60 0.05 -0.09 0.00 -0.41 0.00 0.00 32.23 32.39 1f54 h LYS 13 CO 0.04 -0.15 0.40 0.93 -2.27 0.00 0.00 179.45 178.40 1f54 h GLU 14 N -0.23 0.59 0.00 1.90 5.08 -1.47 0.48 114.58 120.93 1f54 h GLU 14 Ca 0.03 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1f54 h GLU 14 Cb 0.27 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.38 1f54 h GLU 14 CO -0.10 0.39 0.00 0.00 -1.00 0.00 0.00 179.01 178.31 1f54 n ALA 15 N -2.43 -0.36 -0.33 3.43 0.00 -0.82 0.12 120.51 120.13 1f54 n ALA 15 Ca 0.15 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.61 1f54 n ALA 15 Cb 0.37 0.00 0.10 0.00 0.00 0.00 0.00 19.45 19.92 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 -0.65 0.00 0.00 3.57 -1.02 1.16 116.94 120.00 1f54 h PHE 16 Ca 0.00 0.09 -0.06 0.00 3.53 0.00 0.00 57.97 61.53 1f54 h PHE 16 Cb 0.00 0.43 -0.01 0.00 2.79 0.00 0.00 35.95 39.16 1f54 h PHE 16 CO 0.16 -0.40 -0.29 0.00 -2.23 0.00 0.00 178.31 175.56 1f54 h ALA 17 N 1.74 1.36 -0.32 2.41 0.00 -0.93 -2.60 119.26 120.92 1f54 h ALA 17 Ca 0.41 -0.26 0.09 0.00 0.00 0.00 0.00 54.91 55.15 1f54 h ALA 17 Cb 0.65 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1f54 h ALA 17 CO -0.94 0.36 0.36 1.25 0.00 0.00 0.00 179.25 180.28 1f54 h LEU 18 N 0.00 0.00 -3.04 0.00 6.46 0.55 0.43 115.31 119.71 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 0.56 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.49 1f54 h LEU 18 CO 0.04 0.00 0.00 0.49 -0.62 0.00 0.00 178.44 178.35 1f54 n PHE 19 N -3.74 0.24 -2.31 1.25 3.01 -0.99 -4.92 117.46 110.01 1f54 n PHE 19 Ca 0.05 -0.81 -0.35 0.00 1.01 0.00 0.00 57.45 57.36 1f54 n PHE 19 Cb 0.51 -0.15 -0.03 0.00 -0.01 0.00 0.00 39.48 39.80 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 -2.05 5.86 0.11 4.37 -4.77 0.14 -4.82 116.67 115.51 1f54 s ASP 20 Ca 0.26 -1.83 -0.29 0.00 -3.30 0.00 0.00 52.55 47.39 1f54 s ASP 20 Cb 0.21 -2.58 -0.10 0.00 -1.09 0.00 0.00 42.92 39.36 1f54 s ASP 20 CO 0.05 -2.18 1.48 0.50 0.70 0.00 0.00 175.17 175.71 1f54 h LYS 21 N 9.10 -0.34 -0.00 2.11 1.63 -1.87 0.66 116.57 127.86 1f54 h LYS 21 Ca 0.29 0.02 0.00 0.00 -0.85 0.00 0.00 60.65 60.11 1f54 h LYS 21 Cb 0.93 0.08 -0.00 0.00 -0.60 0.00 0.00 32.23 32.63 1f54 h LYS 21 CO 1.33 -0.22 0.00 0.22 -3.45 0.00 0.00 179.45 177.33 1f54 h ASP 22 N -0.35 0.00 -0.62 4.20 3.58 -1.88 -3.45 116.42 117.90 1f54 h ASP 22 Ca 0.06 0.00 -0.27 0.00 0.42 0.00 0.00 57.03 57.24 1f54 h ASP 22 Cb 0.52 0.00 -0.11 0.00 1.72 0.00 0.00 39.33 41.46 1f54 h ASP 22 CO -0.52 0.00 -0.24 -3.20 -2.88 0.00 0.00 179.24 172.40 1f54 n ASN 23 N -3.24 -4.89 -0.09 2.28 4.05 0.23 -4.83 115.26 108.77 1f54 n ASN 23 Ca -0.03 0.32 0.11 0.00 0.45 0.00 0.00 54.58 55.43 1f54 n ASN 23 Cb 0.08 -3.54 0.02 0.00 1.23 0.00 0.00 39.78 37.56 1f54 n ASN 23 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 177.26 173.75 1f54 n ASN 24 N -0.50 1.04 0.00 1.20 0.23 -1.26 -4.93 115.26 111.05 1f54 n ASN 24 Ca -0.13 -0.90 0.00 0.00 -0.53 0.00 0.00 54.58 53.02 1f54 n ASN 24 Cb 0.48 0.69 0.00 0.00 -2.08 0.00 0.00 39.78 38.87 1f54 n ASN 24 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1f54 n GLY 25 N 1.48 1.61 2.97 4.83 0.00 -1.26 -5.09 105.19 109.72 1f54 n GLY 25 Ca 0.06 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.94 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 0.50 0.07 1.61 1.04 -1.26 -2.72 113.70 110.94 1f54 s SER 26 Ca 0.00 -0.23 0.03 0.00 0.48 0.00 0.00 55.95 56.23 1f54 s SER 26 Cb 0.00 -0.01 -0.03 0.00 0.10 0.00 0.00 66.02 66.08 1f54 s SER 26 CO 0.00 -0.05 -0.09 0.27 0.98 0.00 0.00 173.24 174.35 1f54 s ILE 27 N -0.55 0.74 0.52 -1.02 -4.36 -0.26 -4.43 121.20 111.83 1f54 s ILE 27 Ca -0.03 -1.43 -0.18 0.00 -0.26 0.00 0.00 60.65 58.75 1f54 s ILE 27 Cb -0.04 -1.07 -0.07 0.00 1.25 0.00 0.00 42.46 42.52 1f54 s ILE 27 CO -0.00 -0.51 1.02 -0.44 0.24 0.00 0.00 174.94 175.25 1f54 s SER 28 N -2.12 6.32 0.19 4.36 0.01 -1.26 0.80 113.70 121.99 1f54 s SER 28 Ca -0.01 1.79 -0.21 0.00 1.31 0.00 0.00 55.95 58.83 1f54 s SER 28 Cb -0.05 -2.54 0.13 0.00 0.21 0.00 0.00 66.02 63.77 1f54 s SER 28 CO -0.01 -0.80 1.57 0.77 0.41 0.00 0.00 173.24 175.19 1f54 h SER 29 N 1.14 -1.37 -1.35 2.44 4.64 -1.96 0.98 113.55 118.07 1f54 h SER 29 Ca -0.48 0.26 0.40 0.00 -0.47 0.00 0.00 61.79 61.50 1f54 h SER 29 Cb 1.21 0.68 -0.09 0.00 -0.31 0.00 0.00 62.40 63.89 1f54 h SER 29 CO 0.59 -0.30 0.93 -1.28 -0.87 0.00 0.00 176.83 175.90 1f54 h SER 30 N -0.12 0.16 0.54 4.97 0.87 -1.94 0.76 113.55 118.80 1f54 h SER 30 Ca 0.25 0.06 -0.26 0.00 -1.23 0.00 0.00 61.79 60.61 1f54 h SER 30 Cb 0.56 0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.56 1f54 h SER 30 CO -0.79 -0.03 -1.15 -0.33 -0.53 0.00 0.00 176.83 174.00 1f54 h GLU 31 N 0.10 0.31 0.17 2.24 4.39 0.64 -3.33 114.58 119.10 1f54 h GLU 31 Ca 0.71 -0.46 0.01 0.00 0.34 0.00 0.00 59.36 59.97 1f54 h GLU 31 Cb 2.49 0.16 -0.03 0.00 -0.10 0.00 0.00 28.75 31.28 1f54 h GLU 31 CO -0.18 1.18 -0.24 1.25 -1.16 0.00 0.00 179.01 179.86 1f54 h LEU 32 N 0.12 -0.67 -1.19 1.33 5.85 0.14 -1.18 115.31 119.71 1f54 h LEU 32 Ca -0.12 0.07 0.36 0.00 0.84 0.00 0.00 57.88 59.03 1f54 h LEU 32 Cb 1.85 0.24 -0.14 0.00 0.37 0.00 0.00 40.66 42.99 1f54 h LEU 32 CO 0.19 -0.34 0.68 0.00 -0.34 0.00 0.00 178.44 178.63 1f54 h ALA 33 N 0.25 2.27 0.03 1.25 0.00 -1.59 0.19 119.26 121.65 1f54 h ALA 33 Ca 0.02 0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 1f54 h ALA 33 Cb 0.47 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1f54 h ALA 33 CO -0.10 -0.87 -0.01 1.15 0.00 0.00 0.00 179.25 179.41 1f54 h THR 34 N 0.23 0.00 -1.47 0.00 2.02 -1.35 -2.46 112.91 109.88 1f54 h THR 34 Ca 0.75 -0.01 0.43 0.00 0.77 0.00 0.00 66.41 68.35 1f54 h THR 34 Cb 1.99 0.00 -0.08 0.00 -1.74 0.00 0.00 68.15 68.32 1f54 h THR 34 CO -0.51 0.00 1.04 -0.37 0.37 0.00 0.00 175.52 176.05 1f54 h VAL 35 N -0.05 0.23 0.99 3.16 -1.51 -0.94 0.12 116.25 118.25 1f54 h VAL 35 Ca -0.00 -0.02 -0.05 0.00 -1.23 0.00 0.00 66.70 65.40 1f54 h VAL 35 Cb 0.03 0.17 0.01 0.00 -2.13 0.00 0.00 31.29 29.37 1f54 h VAL 35 CO 0.01 0.01 -0.48 -0.03 -1.23 0.00 0.00 177.57 175.85 1f54 h MET 36 N 0.05 -1.28 0.00 5.19 4.05 -0.47 -2.31 114.93 120.16 1f54 h MET 36 Ca 0.74 0.09 -0.01 0.00 -0.28 0.00 0.00 59.70 60.24 1f54 h MET 36 Cb 2.78 0.29 -0.00 0.00 -0.80 0.00 0.00 31.60 33.87 1f54 h MET 36 CO -0.11 -0.86 -0.05 -0.09 0.23 0.00 0.00 176.91 176.03 1f54 h ARG 37 N -1.36 0.00 -0.07 0.39 1.12 -0.51 -2.94 114.38 111.02 1f54 h ARG 37 Ca -0.14 0.00 -0.10 0.00 -1.11 0.00 0.00 59.98 58.63 1f54 h ARG 37 Cb 1.02 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 30.97 1f54 h ARG 37 CO 0.22 0.05 -0.42 0.77 -3.11 0.00 0.00 179.97 177.49 1f54 h SER 38 N 0.00 0.15 0.23 -3.80 0.02 -0.62 -2.82 113.55 106.71 1f54 h SER 38 Ca -0.00 -0.06 -0.07 0.00 -0.84 0.00 0.00 61.79 60.82 1f54 h SER 38 Cb 0.59 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 63.08 1f54 h SER 38 CO 0.01 0.55 -0.28 -0.07 -1.14 0.00 0.00 176.83 175.90 1f54 h LEU 39 N 0.12 0.10 0.00 5.07 3.38 -1.23 -3.46 115.31 119.29 1f54 h LEU 39 Ca 0.01 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1f54 h LEU 39 Cb 0.79 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.52 1f54 h LEU 39 CO 0.06 0.38 0.00 0.61 0.09 0.00 0.00 178.44 179.58 1f54 n GLY 40 N -0.62 0.82 3.39 0.83 0.00 -1.06 -5.12 105.19 103.43 1f54 n GLY 40 Ca -0.02 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.79 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 1.81 -0.39 0.99 2.34 -1.24 -5.08 118.68 117.11 1f54 s LEU 41 Ca 0.00 -1.66 0.00 0.00 0.06 0.00 0.00 54.13 52.53 1f54 s LEU 41 Cb 0.00 0.19 0.19 0.00 -0.56 0.00 0.00 46.19 46.00 1f54 s LEU 41 CO 0.00 -0.95 0.85 -0.94 -1.06 0.00 0.00 176.35 174.25 1f54 s SER 42 N -3.46 -0.95 0.00 1.48 1.04 -1.26 -4.30 113.70 106.25 1f54 s SER 42 Ca 0.33 -0.67 0.00 0.00 0.48 0.00 0.00 55.95 56.08 1f54 s SER 42 Cb 0.03 1.22 0.00 0.00 0.10 0.00 0.00 66.02 67.38 1f54 s SER 42 CO 0.19 -0.08 0.00 -0.81 0.98 0.00 0.00 173.24 173.52 1f54 n PRO 43 N 3.68 1.08 -4.33 4.02 -0.04 -1.26 -5.10 135.00 133.05 1f54 n PRO 43 Ca 0.10 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.39 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 -1.39 1.41 0.10 3.54 0.01 -1.26 -5.01 113.70 111.09 1f54 s SER 44 Ca 0.00 -1.49 -0.24 0.00 1.31 0.00 0.00 55.95 55.53 1f54 s SER 44 Cb 0.00 0.30 -0.08 0.00 0.21 0.00 0.00 66.02 66.45 1f54 s SER 44 CO 0.00 -0.83 1.40 -0.08 0.41 0.00 0.00 173.24 174.15 1f54 h GLU 45 N 2.28 -0.28 -0.82 12.44 4.57 -1.99 -0.09 114.58 130.69 1f54 h GLU 45 Ca -0.36 0.02 0.15 0.00 -1.18 0.00 0.00 59.36 57.99 1f54 h GLU 45 Cb 1.25 0.06 -0.15 0.00 -0.16 0.00 0.00 28.75 29.75 1f54 h GLU 45 CO 0.56 -0.18 -0.29 0.00 -1.18 0.00 0.00 179.01 177.91 1f54 h ALA 46 N -0.36 0.31 -0.45 2.92 0.00 -2.00 1.25 119.26 120.94 1f54 h ALA 46 Ca 0.06 0.27 0.08 0.00 0.00 0.00 0.00 54.91 55.32 1f54 h ALA 46 Cb 0.44 0.77 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 1f54 h ALA 46 CO -0.45 -0.53 0.30 1.49 0.00 0.00 0.00 179.25 180.07 1f54 h GLU 47 N -0.04 0.27 -0.05 0.00 4.22 -1.52 -2.11 114.58 115.35 1f54 h GLU 47 Ca 0.35 -0.02 -0.12 0.00 0.08 0.00 0.00 59.36 59.66 1f54 h GLU 47 Cb 0.60 -0.06 0.01 0.00 0.50 0.00 0.00 28.75 29.79 1f54 h GLU 47 CO -0.85 0.18 -0.42 0.28 -2.18 0.00 0.00 179.01 176.01 1f54 h VAL 48 N 0.27 1.43 -0.65 0.32 2.07 0.32 -1.06 116.25 118.95 1f54 h VAL 48 Ca 0.20 -1.87 0.12 0.00 0.82 0.00 0.00 66.70 65.98 1f54 h VAL 48 Cb 0.45 2.43 -0.09 0.00 -1.52 0.00 0.00 31.29 32.56 1f54 h VAL 48 CO -0.04 0.54 0.18 -1.13 0.02 0.00 0.00 177.57 177.13 1f54 h ASN 49 N -0.14 0.07 0.29 0.57 -1.24 -0.20 0.71 115.58 115.64 1f54 h ASN 49 Ca -0.04 0.11 -0.25 0.00 0.71 0.00 0.00 56.30 56.84 1f54 h ASN 49 Cb 1.10 0.14 0.01 0.00 0.73 0.00 0.00 38.32 40.30 1f54 h ASN 49 CO 0.09 0.03 -1.03 0.44 -1.29 0.00 0.00 177.43 175.66 1f54 h ASP 50 N 0.31 0.63 -0.95 1.15 5.19 -1.53 -2.42 116.42 118.79 1f54 h ASP 50 Ca 0.35 -0.53 0.01 0.00 -0.62 0.00 0.00 57.03 56.24 1f54 h ASP 50 Cb 0.53 -0.19 -0.05 0.00 0.18 0.00 0.00 39.33 39.80 1f54 h ASP 50 CO -0.41 1.34 0.63 0.25 -3.12 0.00 0.00 179.24 177.93 1f54 h LEU 51 N 0.25 1.09 0.06 1.55 5.85 -0.15 -1.95 115.31 122.01 1f54 h LEU 51 Ca -0.11 -0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.58 1f54 h LEU 51 Cb 1.69 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 42.45 1f54 h LEU 51 CO 0.18 0.79 -0.03 0.24 -0.34 0.00 0.00 178.44 179.29 1f54 h MET 52 N 1.29 -0.08 -0.38 1.25 2.86 -0.93 -3.20 114.93 115.74 1f54 h MET 52 Ca 0.35 0.01 0.11 0.00 -2.06 0.00 0.00 59.70 58.11 1f54 h MET 52 Cb -0.15 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.51 1f54 h MET 52 CO -0.08 0.48 0.56 -0.91 1.06 0.00 0.00 176.91 178.03 1f54 h ASN 53 N -0.90 0.00 0.44 1.22 -0.26 -1.37 2.17 115.58 116.88 1f54 h ASN 53 Ca -0.01 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.73 1f54 h ASN 53 Cb 0.60 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.86 1f54 h ASN 53 CO 0.01 0.00 -0.06 -0.62 -1.06 0.00 0.00 177.43 175.70 1f54 n GLU 54 N -3.38 0.58 0.00 0.81 1.02 -0.74 -4.37 120.64 114.55 1f54 n GLU 54 Ca 0.07 -0.12 0.00 0.00 -0.02 0.00 0.00 57.16 57.09 1f54 n GLU 54 Cb 0.72 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.64 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 -1.11 0.00 -1.70 -3.67 3.06 0.43 -5.06 119.36 111.31 1f54 n ILE 55 Ca 0.15 0.00 -0.43 0.00 -2.50 0.00 0.00 62.75 59.97 1f54 n ILE 55 Cb 0.26 -0.16 -0.03 0.00 0.54 0.00 0.00 39.64 40.24 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 -1.80 3.84 0.00 9.51 2.03 0.63 -4.85 116.55 125.90 1f54 n ASP 56 Ca 0.00 1.04 0.00 0.00 0.52 0.00 0.00 54.79 56.35 1f54 n ASP 56 Cb 0.03 -1.53 0.00 0.00 -0.72 0.00 0.00 41.12 38.89 1f54 n ASP 56 CO 0.00 0.00 0.00 0.55 -1.92 0.00 0.00 177.20 175.83 1f54 n VAL 57 N 4.11 0.00 -2.75 5.18 3.14 -1.26 -4.72 118.33 122.03 1f54 n VAL 57 Ca 0.17 -0.47 0.00 0.00 -2.96 0.00 0.00 64.34 61.09 1f54 n VAL 57 Cb 0.34 1.03 0.01 0.00 -1.06 0.00 0.00 33.84 34.16 1f54 n VAL 57 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 1f54 s ASP 58 N -0.54 -0.35 0.00 6.55 2.15 -1.26 -5.05 116.67 118.17 1f54 s ASP 58 Ca 0.00 -0.24 0.00 0.00 0.43 0.00 0.00 52.55 52.74 1f54 s ASP 58 Cb 0.00 0.45 0.00 0.00 -0.30 0.00 0.00 42.92 43.07 1f54 s ASP 58 CO 0.00 -0.03 0.00 0.61 -0.17 0.00 0.00 175.17 175.58 1f54 n GLY 59 N 3.39 0.25 3.94 2.66 0.00 -1.26 -4.52 105.19 109.65 1f54 n GLY 59 Ca 0.07 0.53 -0.22 0.00 0.00 0.00 0.00 46.02 46.41 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 -4.00 4.98 -0.05 1.61 3.84 -1.26 -5.00 114.94 115.06 1f54 s ASN 60 Ca 0.00 -0.91 -0.31 0.00 0.21 0.00 0.00 52.86 51.85 1f54 s ASN 60 Cb 0.00 -0.00 0.13 0.00 -0.55 0.00 0.00 41.25 40.83 1f54 s ASN 60 CO 0.00 -1.01 1.35 -1.38 -2.79 0.00 0.00 177.10 173.27 1f54 s HIS 61 N -2.62 -0.02 -0.40 0.43 -3.43 -1.26 -4.69 115.29 103.30 1f54 s HIS 61 Ca 0.48 -0.04 -0.11 0.00 -0.80 0.00 0.00 55.06 54.58 1f54 s HIS 61 Cb -0.04 0.53 0.05 0.00 -1.43 0.00 0.00 32.58 31.68 1f54 s HIS 61 CO 0.29 -0.17 0.25 1.14 -2.00 0.00 0.00 174.74 174.26 1f54 s GLN 62 N -2.22 2.79 0.50 -0.38 1.03 -1.26 -3.89 119.66 116.24 1f54 s GLN 62 Ca 0.16 -1.22 -0.19 0.00 0.04 0.00 0.00 55.36 54.15 1f54 s GLN 62 Cb 0.05 -3.82 -0.08 0.00 0.03 0.00 0.00 33.01 29.20 1f54 s GLN 62 CO -0.05 -0.82 1.04 0.42 -2.54 0.00 0.00 175.29 173.34 1f54 s ILE 63 N 1.54 3.85 -0.13 3.63 1.01 0.24 -4.79 121.20 126.55 1f54 s ILE 63 Ca 0.03 1.09 0.00 0.00 0.00 0.00 0.00 60.65 61.77 1f54 s ILE 63 Cb -0.21 -3.46 -0.01 0.00 0.01 0.00 0.00 42.46 38.79 1f54 s ILE 63 CO 0.06 -0.31 -0.14 -1.61 0.00 0.00 0.00 174.94 172.94 1f54 s GLU 64 N -3.41 3.34 0.48 2.79 0.41 -1.26 -1.10 118.70 119.94 1f54 s GLU 64 Ca 0.66 -0.71 0.35 0.00 -0.41 0.00 0.00 54.97 54.86 1f54 s GLU 64 Cb -0.16 -2.60 1.50 0.00 -1.78 0.00 0.00 34.13 31.09 1f54 s GLU 64 CO 0.23 0.19 1.64 0.35 -0.49 0.00 0.00 175.26 177.18 1f54 h PHE 65 N 6.77 0.35 0.00 1.61 3.57 -1.92 0.79 116.94 128.12 1f54 h PHE 65 Ca -0.26 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.26 1f54 h PHE 65 Cb 1.21 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 39.87 1f54 h PHE 65 CO 0.50 -0.12 0.00 -1.13 -2.23 0.00 0.00 178.31 175.33 1f54 n SER 66 N -4.46 0.00 -0.34 0.41 3.41 -1.26 -2.47 113.62 108.91 1f54 n SER 66 Ca 0.37 0.46 0.20 0.00 -0.26 0.00 0.00 58.87 59.64 1f54 n SER 66 Cb 1.52 -0.04 0.42 0.00 -0.26 0.00 0.00 64.21 65.84 1f54 n SER 66 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 1f54 h GLU 67 N 0.00 0.44 -0.33 4.33 4.11 -1.87 0.23 114.58 121.50 1f54 h GLU 67 Ca 0.00 -0.03 0.04 0.00 0.07 0.00 0.00 59.36 59.44 1f54 h GLU 67 Cb 0.00 -0.10 -0.07 0.00 0.50 0.00 0.00 28.75 29.08 1f54 h GLU 67 CO 0.00 0.29 -0.49 0.35 0.07 0.00 0.00 179.01 179.24 1f54 h PHE 68 N 0.45 -1.48 -0.04 2.06 3.57 -0.87 -0.92 116.94 119.71 1f54 h PHE 68 Ca 0.68 0.07 -0.21 0.00 3.53 0.00 0.00 57.97 62.03 1f54 h PHE 68 Cb 1.41 0.69 0.02 0.00 2.79 0.00 0.00 35.95 40.86 1f54 h PHE 68 CO -0.02 -0.43 -0.81 -0.07 -2.23 0.00 0.00 178.31 174.74 1f54 h LEU 69 N -0.36 0.78 -1.53 0.59 4.07 -0.94 -1.14 115.31 116.77 1f54 h LEU 69 Ca 0.06 -0.72 0.20 0.00 0.08 0.00 0.00 57.88 57.51 1f54 h LEU 69 Cb 0.53 -0.24 -0.03 0.00 1.08 0.00 0.00 40.66 42.00 1f54 h LEU 69 CO -0.51 1.39 0.82 0.00 -1.08 0.00 0.00 178.44 179.06 1f54 h ALA 70 N 0.41 2.51 0.00 1.53 0.00 -0.16 0.87 119.26 124.43 1f54 h ALA 70 Ca -0.09 -0.02 -0.22 0.00 0.00 0.00 0.00 54.91 54.58 1f54 h ALA 70 Cb 1.48 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 19.28 1f54 h ALA 70 CO 0.16 -1.18 -1.86 1.28 0.00 0.00 0.00 179.25 177.65 1f54 n LEU 71 N -3.46 0.00 0.32 0.00 4.32 -0.39 -4.41 117.00 113.39 1f54 n LEU 71 Ca 0.15 0.00 0.20 0.00 -0.02 0.00 0.00 56.01 56.34 1f54 n LEU 71 Cb 1.06 0.29 1.09 0.00 -1.62 0.00 0.00 43.42 44.24 1f54 n LEU 71 CO 0.25 0.29 1.15 -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 0.47 -0.77 114.93 121.91 1f54 h MET 72 Ca -0.32 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.10 1f54 h MET 72 Cb 1.70 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.50 1f54 h MET 72 CO 0.02 0.01 0.00 0.45 0.23 0.00 0.00 176.91 177.61 1f54 n SER 73 N -3.30 0.00 -0.33 1.39 2.88 -0.85 -3.21 113.62 110.20 1f54 n SER 73 Ca -0.03 0.41 0.35 0.00 -1.33 0.00 0.00 58.87 58.28 1f54 n SER 73 Cb 0.10 -0.44 0.63 0.00 -0.75 0.00 0.00 64.21 63.74 1f54 n SER 73 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 1f54 h ARG 74 N 0.00 0.00 0.00 -1.46 3.08 -1.44 -3.39 114.38 111.17 1f54 h ARG 74 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1f54 h ARG 74 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.19 1f54 h ARG 74 CO 0.00 0.00 0.00 1.04 -1.07 0.00 0.00 179.97 179.94 1f54 n GLN 75 N -3.63 0.00 -0.58 0.04 6.02 -1.20 -5.15 117.38 112.89 1f54 n GLN 75 Ca 0.27 0.00 0.08 0.00 -0.01 0.00 0.00 57.00 57.34 1f54 n GLN 75 Cb 1.51 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 32.75 1f54 n GLN 75 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1f54 n LEU 76 N -0.08 0.00 0.00 1.08 4.77 -1.26 -4.99 117.00 116.53 1f54 n LEU 76 Ca 0.00 0.63 0.00 0.00 -0.03 0.00 0.00 56.01 56.61 1f54 n LEU 76 Cb 0.00 -1.92 0.00 0.00 -2.33 0.00 0.00 43.42 39.17 1f54 n LEU 76 CO 0.00 -1.39 0.22 1.17 -1.33 0.00 0.00 177.39 176.06