#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f55 h SER 2 N 0.00 0.00 -3.16 -3.46 0.02 -2.07 -3.40 113.55 101.48 1f55 h SER 2 Ca 0.00 0.00 -0.62 0.00 -0.84 0.00 0.00 61.79 60.33 1f55 h SER 2 Cb 0.00 0.00 -0.35 0.00 0.14 0.00 0.00 62.40 62.19 1f55 h SER 2 CO 0.00 0.00 -0.84 0.20 -1.14 0.00 0.00 176.83 175.05 1f55 s ASN 3 N -5.16 2.77 0.00 3.07 0.01 -1.26 -5.10 114.94 109.27 1f55 s ASN 3 Ca 0.02 -0.52 0.00 0.00 -0.71 0.00 0.00 52.86 51.65 1f55 s ASN 3 Cb 0.09 -1.25 0.00 0.00 0.41 0.00 0.00 41.25 40.50 1f55 s ASN 3 CO 0.48 -0.01 0.00 0.18 -1.51 0.00 0.00 177.10 176.24 1f55 n LEU 4 N 4.50 0.00 0.00 0.60 4.32 -1.26 -4.27 117.00 120.89 1f55 n LEU 4 Ca -0.19 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.80 1f55 n LEU 4 Cb 0.51 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.31 1f55 n LEU 4 CO 0.24 0.00 0.00 0.35 -1.22 0.00 0.00 177.39 176.76 1f55 n THR 5 N 0.00 0.00 -0.52 -5.08 -2.24 -1.26 -0.46 114.28 104.72 1f55 n THR 5 Ca 0.00 0.00 0.44 0.00 -2.27 0.00 0.00 64.05 62.22 1f55 n THR 5 Cb 0.00 0.00 0.73 0.00 -2.10 0.00 0.00 70.33 68.96 1f55 n THR 5 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 1f55 h GLU 6 N 0.00 0.00 -0.07 -0.78 -0.00 -1.97 1.01 114.58 112.76 1f55 h GLU 6 Ca 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 59.36 59.30 1f55 h GLU 6 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 28.75 1f55 h GLU 6 CO 0.00 0.00 -0.18 1.49 -0.00 0.00 0.00 179.01 180.32 1f55 h GLU 7 N 0.00 0.26 -0.13 1.06 4.57 -1.04 -1.40 114.58 117.89 1f55 h GLU 7 Ca 0.76 -0.18 -0.11 0.00 -1.18 0.00 0.00 59.36 58.65 1f55 h GLU 7 Cb 3.29 0.03 0.00 0.00 -0.16 0.00 0.00 28.75 31.91 1f55 h GLU 7 CO -0.01 0.78 -0.36 -0.56 -1.18 0.00 0.00 179.01 177.68 1f55 h GLN 8 N -0.23 0.48 0.30 1.92 3.07 0.13 -2.77 115.11 118.01 1f55 h GLN 8 Ca -0.00 -0.34 -0.01 0.00 0.09 0.00 0.00 58.65 58.39 1f55 h GLN 8 Cb 0.79 0.05 -0.02 0.00 0.08 0.00 0.00 27.48 28.38 1f55 h GLN 8 CO 0.04 0.96 -0.34 0.82 0.09 0.00 0.00 178.83 180.40 1f55 h ILE 9 N 0.08 0.00 -0.82 1.86 2.04 -0.55 0.42 117.51 120.54 1f55 h ILE 9 Ca -0.01 0.00 0.18 0.00 1.00 0.00 0.00 64.86 66.03 1f55 h ILE 9 Cb 0.98 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 36.91 1f55 h ILE 9 CO 0.08 0.00 -0.13 0.00 0.00 0.00 0.00 178.15 178.09 1f55 h ALA 10 N -1.15 0.66 -0.90 1.87 0.00 -1.34 0.81 119.26 119.21 1f55 h ALA 10 Ca -0.04 0.30 -0.00 0.00 0.00 0.00 0.00 54.91 55.17 1f55 h ALA 10 Cb 0.57 0.57 -0.04 0.00 0.00 0.00 0.00 17.79 18.89 1f55 h ALA 10 CO -0.06 -0.42 0.54 1.49 0.00 0.00 0.00 179.25 180.80 1f55 h GLU 11 N 0.02 1.22 0.04 0.00 4.81 -1.10 -2.79 114.58 116.78 1f55 h GLU 11 Ca 0.42 -0.11 -0.00 0.00 -0.13 0.00 0.00 59.36 59.54 1f55 h GLU 11 Cb 0.69 -0.26 0.00 0.00 0.63 0.00 0.00 28.75 29.81 1f55 h GLU 11 CO -0.81 0.85 -0.02 0.74 -0.73 0.00 0.00 179.01 179.04 1f55 h PHE 12 N 1.23 -0.05 -0.88 0.92 0.04 0.49 -2.70 116.94 116.00 1f55 h PHE 12 Ca 0.32 -0.00 0.14 0.00 2.80 0.00 0.00 57.97 61.23 1f55 h PHE 12 Cb -0.06 0.02 -0.15 0.00 2.20 0.00 0.00 35.95 37.96 1f55 h PHE 12 CO 0.00 0.25 -0.37 0.87 -0.60 0.00 0.00 178.31 178.47 1f55 h LYS 13 N -0.35 -0.04 -0.53 1.51 1.57 0.04 1.36 116.57 120.13 1f55 h LYS 13 Ca -0.01 0.00 0.07 0.00 -1.87 0.00 0.00 60.65 58.85 1f55 h LYS 13 Cb 0.32 0.01 -0.06 0.00 0.08 0.00 0.00 32.23 32.58 1f55 h LYS 13 CO 0.01 -0.03 0.21 1.49 -0.57 0.00 0.00 179.45 180.56 1f55 h GLU 14 N -0.05 0.39 -0.16 3.15 4.81 -1.43 -1.87 114.58 119.42 1f55 h GLU 14 Ca 0.32 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.52 1f55 h GLU 14 Cb 0.59 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.87 1f55 h GLU 14 CO -0.90 0.26 0.07 0.00 -0.73 0.00 0.00 179.01 177.70 1f55 h ALA 15 N 1.34 0.21 -0.55 2.92 0.00 0.10 -2.80 119.26 120.48 1f55 h ALA 15 Ca 0.25 -0.10 0.06 0.00 0.00 0.00 0.00 54.91 55.12 1f55 h ALA 15 Cb 0.26 -0.06 -0.09 0.00 0.00 0.00 0.00 17.79 17.89 1f55 h ALA 15 CO -0.24 -0.21 -0.56 0.35 0.00 0.00 0.00 179.25 178.59 1f55 h PHE 16 N 0.11 -1.73 -0.71 0.00 3.57 0.21 0.27 116.94 118.65 1f55 h PHE 16 Ca 0.05 0.09 0.16 0.00 3.53 0.00 0.00 57.97 61.81 1f55 h PHE 16 Cb 0.16 0.83 -0.12 0.00 2.79 0.00 0.00 35.95 39.61 1f55 h PHE 16 CO -0.02 -0.46 0.01 0.00 -2.23 0.00 0.00 178.31 175.61 1f55 h ALA 17 N 0.11 0.73 -0.86 2.41 0.00 -1.31 0.35 119.26 120.69 1f55 h ALA 17 Ca 0.10 0.22 0.22 0.00 0.00 0.00 0.00 54.91 55.45 1f55 h ALA 17 Cb 0.55 0.39 -0.14 0.00 0.00 0.00 0.00 17.79 18.60 1f55 h ALA 17 CO -0.68 -0.41 0.23 1.25 0.00 0.00 0.00 179.25 179.64 1f55 h LEU 18 N 0.11 0.00 -0.29 0.00 5.85 -0.22 0.96 115.31 121.73 1f55 h LEU 18 Ca 0.39 0.19 -0.09 0.00 0.84 0.00 0.00 57.88 59.20 1f55 h LEU 18 Cb 0.66 0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.94 1f55 h LEU 18 CO -0.62 -0.13 -0.19 -0.26 -0.34 0.00 0.00 178.44 176.90 1f55 h PHE 19 N 0.22 0.75 -0.43 1.25 0.04 0.21 -3.04 116.94 115.94 1f55 h PHE 19 Ca 0.53 -0.20 -0.07 0.00 2.80 0.00 0.00 57.97 61.03 1f55 h PHE 19 Cb 1.03 -0.17 -0.02 0.00 2.20 0.00 0.00 35.95 39.00 1f55 h PHE 19 CO -0.27 0.90 -0.01 0.22 -0.60 0.00 0.00 178.31 178.55 1f55 h ASP 20 N 0.38 0.68 -0.49 2.17 3.58 0.48 -1.52 116.42 121.70 1f55 h ASP 20 Ca 0.06 -0.16 -0.21 0.00 0.42 0.00 0.00 57.03 57.14 1f55 h ASP 20 Cb 0.73 -0.18 -0.08 0.00 1.72 0.00 0.00 39.33 41.51 1f55 h ASP 20 CO 0.05 0.76 -0.19 0.29 -2.88 0.00 0.00 179.24 177.27 1f55 n LYS 21 N -4.22 -0.81 -0.50 0.28 4.76 0.30 -4.60 118.16 113.36 1f55 n LYS 21 Ca 0.02 0.84 -0.02 0.00 -2.87 0.00 0.00 58.31 56.29 1f55 n LYS 21 Cb 0.29 -4.81 -0.02 0.00 -1.84 0.00 0.00 35.03 28.66 1f55 n LYS 21 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 1f55 n ASP 22 N 0.11 -0.25 -3.18 4.39 5.68 -1.26 -4.99 116.55 117.06 1f55 n ASP 22 Ca -0.10 -0.73 -0.20 0.00 -0.50 0.00 0.00 54.79 53.26 1f55 n ASP 22 Cb 0.36 0.07 -0.04 0.00 -1.14 0.00 0.00 41.12 40.38 1f55 n ASP 22 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 1f55 n ASN 23 N 0.00 -1.20 -0.47 -1.12 3.02 -1.26 -4.69 115.26 109.54 1f55 n ASN 23 Ca -0.07 -0.40 0.02 0.00 -0.03 0.00 0.00 54.58 54.11 1f55 n ASN 23 Cb 0.36 -1.09 0.07 0.00 -0.61 0.00 0.00 39.78 38.51 1f55 n ASN 23 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1f55 n ASN 24 N -1.58 1.24 -2.15 6.41 4.05 -1.26 -4.83 115.26 117.13 1f55 n ASN 24 Ca 0.06 -2.07 -0.18 0.00 0.45 0.00 0.00 54.58 52.83 1f55 n ASN 24 Cb 0.39 -0.26 -0.03 0.00 1.23 0.00 0.00 39.78 41.11 1f55 n ASN 24 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1f55 n GLY 25 N 0.52 0.16 3.63 8.20 0.00 -1.26 -4.92 105.19 111.53 1f55 n GLY 25 Ca 0.05 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.96 1f55 n GLY 25 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1f55 s SER 26 N -2.19 -0.69 0.08 1.61 0.15 -1.26 -4.33 113.70 107.07 1f55 s SER 26 Ca 0.00 1.27 0.06 0.00 0.70 0.00 0.00 55.95 57.98 1f55 s SER 26 Cb 0.00 1.28 -0.04 0.00 -1.71 0.00 0.00 66.02 65.56 1f55 s SER 26 CO 0.00 -0.21 -0.08 -0.63 1.20 0.00 0.00 173.24 173.51 1f55 s ILE 27 N 0.60 3.48 0.00 6.45 1.01 0.17 -4.62 121.20 128.28 1f55 s ILE 27 Ca -0.01 -1.15 0.00 0.00 0.00 0.00 0.00 60.65 59.48 1f55 s ILE 27 Cb -0.05 -2.61 0.00 0.00 0.01 0.00 0.00 42.46 39.81 1f55 s ILE 27 CO -0.05 0.16 0.00 -1.20 0.00 0.00 0.00 174.94 173.85 1f55 n SER 28 N 0.85 1.05 0.09 3.58 7.64 -1.26 -1.81 113.62 123.75 1f55 n SER 28 Ca -0.13 -0.55 -0.07 0.00 1.01 0.00 0.00 58.87 59.13 1f55 n SER 28 Cb 0.52 0.00 0.02 0.00 -1.01 0.00 0.00 64.21 63.74 1f55 n SER 28 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1f55 h SER 29 N 0.00 0.19 0.13 6.43 0.02 -1.89 -2.60 113.55 115.83 1f55 h SER 29 Ca 0.00 -0.15 -0.24 0.00 -0.84 0.00 0.00 61.79 60.57 1f55 h SER 29 Cb 0.00 -0.06 0.03 0.00 0.14 0.00 0.00 62.40 62.51 1f55 h SER 29 CO 0.00 0.93 -1.01 -1.28 -1.14 0.00 0.00 176.83 174.33 1f55 h SER 30 N 0.09 0.66 0.51 3.07 0.87 -1.96 -2.20 113.55 114.60 1f55 h SER 30 Ca -0.03 -0.87 -0.03 0.00 -1.23 0.00 0.00 61.79 59.63 1f55 h SER 30 Cb 1.43 -0.21 0.01 0.00 -0.44 0.00 0.00 62.40 63.18 1f55 h SER 30 CO 0.12 1.48 -0.25 -0.33 -0.53 0.00 0.00 176.83 177.32 1f55 h GLU 31 N -0.05 -0.66 -0.96 2.24 5.08 -1.77 -1.60 114.58 116.86 1f55 h GLU 31 Ca -0.16 0.05 0.01 0.00 -1.00 0.00 0.00 59.36 58.25 1f55 h GLU 31 Cb 1.74 0.15 -0.05 0.00 0.50 0.00 0.00 28.75 31.10 1f55 h GLU 31 CO 0.19 -0.36 0.63 -0.07 -1.00 0.00 0.00 179.01 178.40 1f55 h LEU 32 N -0.97 1.11 -1.94 1.33 3.38 -0.86 -1.07 115.31 116.30 1f55 h LEU 32 Ca -0.07 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 1f55 h LEU 32 Cb 0.61 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 1f55 h LEU 32 CO 0.12 0.81 -0.12 0.00 0.09 0.00 0.00 178.44 179.34 1f55 h ALA 33 N 1.39 1.37 0.00 1.53 0.00 -1.35 -1.23 119.26 120.97 1f55 h ALA 33 Ca 0.35 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1f55 h ALA 33 Cb -0.14 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1f55 h ALA 33 CO -0.07 0.14 0.00 2.41 0.00 0.00 0.00 179.25 181.73 1f55 n THR 34 N -3.76 0.86 -0.23 0.00 -1.04 -0.41 -3.15 114.28 106.54 1f55 n THR 34 Ca -0.02 0.20 -0.03 0.00 -2.04 0.00 0.00 64.05 62.16 1f55 n THR 34 Cb 0.22 -1.02 0.08 0.00 -1.82 0.00 0.00 70.33 67.79 1f55 n THR 34 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 1f55 h VAL 35 N 0.00 1.04 0.00 12.58 2.07 -1.24 0.95 116.25 131.64 1f55 h VAL 35 Ca 0.00 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 67.26 1f55 h VAL 35 Cb 0.33 0.23 0.00 0.00 -1.52 0.00 0.00 31.29 30.33 1f55 h VAL 35 CO 0.00 0.14 0.00 0.23 0.02 0.00 0.00 177.57 177.96 1f55 n MET 36 N -4.74 0.02 -0.51 1.57 2.81 -1.19 -3.07 117.12 112.01 1f55 n MET 36 Ca 0.07 0.39 0.42 0.00 -1.81 0.00 0.00 57.70 56.77 1f55 n MET 36 Cb 0.12 -1.55 0.75 0.00 -0.71 0.00 0.00 33.22 31.82 1f55 n MET 36 CO 0.00 0.00 0.00 -0.09 1.51 0.00 0.00 175.97 177.39 1f55 h ARG 37 N 0.00 0.04 0.00 0.03 2.43 -0.99 1.32 114.38 117.21 1f55 h ARG 37 Ca 0.00 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1f55 h ARG 37 Cb 0.14 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.68 1f55 h ARG 37 CO 0.00 0.03 -1.17 0.43 -1.51 0.00 0.00 179.97 177.74 1f55 n SER 38 N -4.22 0.80 -0.55 -3.80 7.64 -1.18 -4.39 113.62 107.93 1f55 n SER 38 Ca 0.36 -0.65 0.06 0.00 1.01 0.00 0.00 58.87 59.65 1f55 n SER 38 Cb 1.59 1.26 0.20 0.00 -1.01 0.00 0.00 64.21 66.25 1f55 n SER 38 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1f55 n LEU 39 N -1.66 2.66 -0.40 -3.43 4.77 0.39 -4.98 117.00 114.36 1f55 n LEU 39 Ca 0.01 -3.82 0.00 0.00 -0.03 0.00 0.00 56.01 52.18 1f55 n LEU 39 Cb 0.35 -0.52 0.00 0.00 -2.33 0.00 0.00 43.42 40.92 1f55 n LEU 39 CO 0.38 1.33 0.00 0.61 -1.33 0.00 0.00 177.39 178.39 1f55 n GLY 40 N -1.15 0.11 3.56 -0.72 0.00 0.22 -4.89 105.19 102.32 1f55 n GLY 40 Ca 0.19 -0.53 -0.13 0.00 0.00 0.00 0.00 46.02 45.55 1f55 n GLY 40 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1f55 n LEU 41 N -0.11 1.67 -2.69 0.99 7.94 -0.32 -4.52 117.00 119.96 1f55 n LEU 41 Ca 0.00 -1.50 -0.06 0.00 -1.11 0.00 0.00 56.01 53.34 1f55 n LEU 41 Cb 0.00 -1.63 0.11 0.00 0.53 0.00 0.00 43.42 42.43 1f55 n LEU 41 CO 0.00 -2.65 0.44 -0.24 -1.11 0.00 0.00 177.39 173.84 1f55 n SER 42 N 18.35 -1.29 -0.01 1.96 2.88 -1.26 -4.95 113.62 129.30 1f55 n SER 42 Ca 0.47 -2.42 -0.17 0.00 -1.33 0.00 0.00 58.87 55.42 1f55 n SER 42 Cb 0.42 0.71 -0.10 0.00 -0.75 0.00 0.00 64.21 64.49 1f55 n SER 42 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 1f55 h PRO 43 N 1.94 0.47 -1.82 -1.46 0.13 -1.86 -3.50 132.00 125.89 1f55 h PRO 43 Ca -0.29 -0.45 0.00 0.00 -0.87 0.00 0.00 66.00 64.39 1f55 h PRO 43 Cb 1.28 0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.53 1f55 h PRO 43 CO -0.02 1.10 -0.45 0.43 -0.23 0.00 0.00 178.00 178.83 1f55 n SER 44 N -4.20 -4.63 -0.27 1.44 7.64 -1.26 -2.99 113.62 109.35 1f55 n SER 44 Ca -0.10 0.66 0.03 0.00 1.01 0.00 0.00 58.87 60.48 1f55 n SER 44 Cb 0.66 -1.87 0.08 0.00 -1.01 0.00 0.00 64.21 62.07 1f55 n SER 44 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1f55 n GLU 45 N -1.13 -0.09 -0.30 1.43 4.07 -1.26 0.10 120.64 123.46 1f55 n GLU 45 Ca 0.00 1.13 0.01 0.00 -0.06 0.00 0.00 57.16 58.24 1f55 n GLU 45 Cb 0.04 -1.69 0.07 0.00 -0.06 0.00 0.00 31.44 29.80 1f55 n GLU 45 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1f55 h ALA 46 N 1.35 0.35 0.01 4.31 0.00 -1.99 0.64 119.26 123.93 1f55 h ALA 46 Ca 0.33 0.29 -0.00 0.00 0.00 0.00 0.00 54.91 55.52 1f55 h ALA 46 Cb 0.51 0.76 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1f55 h ALA 46 CO -0.74 -0.50 -0.00 0.93 0.00 0.00 0.00 179.25 178.93 1f55 h GLU 47 N -0.03 -0.01 -0.02 0.00 4.39 0.75 -2.29 114.58 117.37 1f55 h GLU 47 Ca 0.36 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.06 1f55 h GLU 47 Cb 0.60 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.25 1f55 h GLU 47 CO -0.86 0.84 -0.04 0.28 -1.16 0.00 0.00 179.01 178.06 1f55 h VAL 48 N -0.91 0.00 -0.59 3.13 2.07 0.27 0.18 116.25 120.41 1f55 h VAL 48 Ca -0.00 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.63 1f55 h VAL 48 Cb 0.85 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.53 1f55 h VAL 48 CO 0.00 0.00 0.10 -1.13 0.02 0.00 0.00 177.57 176.56 1f55 h ASN 49 N -0.04 -0.05 0.10 0.57 -1.24 0.08 -1.81 115.58 113.19 1f55 h ASN 49 Ca 0.00 0.12 0.01 0.00 0.71 0.00 0.00 56.30 57.14 1f55 h ASN 49 Cb 0.05 0.17 -0.04 0.00 0.73 0.00 0.00 38.32 39.23 1f55 h ASN 49 CO -0.04 -0.01 -0.48 0.44 -1.29 0.00 0.00 177.43 176.05 1f55 h ASP 50 N 0.23 -1.44 -0.20 1.15 5.19 -0.75 1.86 116.42 122.45 1f55 h ASP 50 Ca 0.31 0.15 0.05 0.00 -0.62 0.00 0.00 57.03 56.92 1f55 h ASP 50 Cb 0.47 0.53 -0.07 0.00 0.18 0.00 0.00 39.33 40.44 1f55 h ASP 50 CO -0.42 -0.50 -0.36 -0.07 -3.12 0.00 0.00 179.24 174.77 1f55 h LEU 51 N -0.67 -1.14 -0.63 1.55 3.38 -0.20 1.47 115.31 119.07 1f55 h LEU 51 Ca -0.00 0.17 -0.02 0.00 0.09 0.00 0.00 57.88 58.12 1f55 h LEU 51 Cb 0.68 0.49 -0.03 0.00 0.09 0.00 0.00 40.66 41.89 1f55 h LEU 51 CO -0.26 -0.37 0.33 -0.03 0.09 0.00 0.00 178.44 178.20 1f55 h MET 52 N -0.39 0.89 -0.28 1.13 4.05 -0.93 -2.45 114.93 116.94 1f55 h MET 52 Ca 0.11 -0.11 -0.10 0.00 -0.28 0.00 0.00 59.70 59.32 1f55 h MET 52 Cb 0.57 -0.17 -0.01 0.00 -0.80 0.00 0.00 31.60 31.19 1f55 h MET 52 CO -0.42 0.68 -0.25 -0.97 0.23 0.00 0.00 176.91 176.19 1f55 h ASN 53 N 0.86 0.55 -0.54 1.39 -0.73 0.39 0.11 115.58 117.61 1f55 h ASN 53 Ca 0.22 -0.19 -0.00 0.00 1.87 0.00 0.00 56.30 58.20 1f55 h ASN 53 Cb 0.06 -0.15 -0.03 0.00 0.27 0.00 0.00 38.32 38.48 1f55 h ASN 53 CO -0.03 0.79 0.32 -0.33 -0.37 0.00 0.00 177.43 177.80 1f55 h GLU 54 N 0.48 0.74 -0.01 6.67 5.08 0.25 -2.27 114.58 125.51 1f55 h GLU 54 Ca 0.07 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1f55 h GLU 54 Cb 0.69 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.78 1f55 h GLU 54 CO 0.05 0.54 -0.13 -0.89 -1.00 0.00 0.00 179.01 177.58 1f55 n ILE 55 N -4.65 0.00 -2.05 3.13 5.41 -0.99 -4.72 119.36 115.49 1f55 n ILE 55 Ca 0.03 -0.22 -0.28 0.00 1.00 0.00 0.00 62.75 63.28 1f55 n ILE 55 Cb 0.06 0.58 -0.06 0.00 -0.71 0.00 0.00 39.64 39.50 1f55 n ILE 55 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1f55 s ASP 56 N -2.23 4.98 0.44 4.38 -1.08 0.36 -4.70 116.67 118.81 1f55 s ASP 56 Ca 0.31 -1.60 0.14 0.00 -0.52 0.00 0.00 52.55 50.87 1f55 s ASP 56 Cb 0.20 -2.59 1.05 0.00 -1.46 0.00 0.00 42.92 40.12 1f55 s ASP 56 CO 0.42 -3.13 1.98 -0.37 0.52 0.00 0.00 175.17 174.59 1f55 h VAL 57 N 6.24 0.89 0.00 1.11 -1.51 -1.85 -2.51 116.25 118.62 1f55 h VAL 57 Ca 0.20 -0.13 -0.17 0.00 -1.23 0.00 0.00 66.70 65.37 1f55 h VAL 57 Cb 0.94 0.46 -0.03 0.00 -2.13 0.00 0.00 31.29 30.54 1f55 h VAL 57 CO 1.22 0.07 -2.08 -0.90 -1.23 0.00 0.00 177.57 174.64 1f55 n ASP 58 N -4.47 0.47 -1.37 4.19 5.75 -1.26 -5.04 116.55 114.82 1f55 n ASP 58 Ca 0.10 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.88 1f55 n ASP 58 Cb 0.38 1.43 0.00 0.00 -1.03 0.00 0.00 41.12 41.90 1f55 n ASP 58 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1f55 n GLY 59 N 1.62 0.33 1.60 6.12 0.00 -0.95 -5.01 105.19 108.90 1f55 n GLY 59 Ca -0.17 -0.29 -0.09 0.00 0.00 0.00 0.00 46.02 45.48 1f55 n GLY 59 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1f55 n ASN 60 N -1.13 3.12 -0.29 1.61 6.94 -1.26 -4.92 115.26 119.32 1f55 n ASN 60 Ca 0.00 -3.45 -0.04 0.00 -0.02 0.00 0.00 54.58 51.07 1f55 n ASN 60 Cb 0.46 -0.42 -0.02 0.00 -2.36 0.00 0.00 39.78 37.44 1f55 n ASN 60 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 1f55 n HIS 61 N -0.73 0.00 -3.57 -2.53 8.25 -1.26 -4.88 115.22 110.50 1f55 n HIS 61 Ca 0.28 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.68 1f55 n HIS 61 Cb 0.87 -2.01 -0.02 0.00 1.12 0.00 0.00 29.99 29.95 1f55 n HIS 61 CO 0.00 0.00 0.00 1.14 0.64 0.00 0.00 176.34 178.12 1f55 s GLN 62 N -2.11 0.68 0.09 -0.41 -2.07 -1.26 -4.27 119.66 110.32 1f55 s GLN 62 Ca 0.00 -0.28 0.04 0.00 -1.82 0.00 0.00 55.36 53.30 1f55 s GLN 62 Cb 0.00 0.29 -0.03 0.00 -1.09 0.00 0.00 33.01 32.18 1f55 s GLN 62 CO 0.00 -0.30 -0.10 0.96 -1.32 0.00 0.00 175.29 174.52 1f55 s ILE 63 N -2.88 0.95 0.00 3.63 -5.25 -0.75 -4.75 121.20 112.15 1f55 s ILE 63 Ca 0.08 -1.58 0.00 0.00 -0.99 0.00 0.00 60.65 58.15 1f55 s ILE 63 Cb -0.01 -1.30 0.00 0.00 2.95 0.00 0.00 42.46 44.10 1f55 s ILE 63 CO -0.06 -0.51 0.00 -0.62 -1.79 0.00 0.00 174.94 171.96 1f55 n GLU 64 N 0.67 0.90 0.00 0.37 1.02 -1.26 0.41 120.64 122.74 1f55 n GLU 64 Ca -0.17 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.97 1f55 n GLU 64 Cb 0.57 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.99 1f55 n GLU 64 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1f55 n PHE 65 N -1.12 0.00 -0.28 -0.32 7.35 -1.26 -2.26 117.46 119.57 1f55 n PHE 65 Ca 0.00 0.00 0.26 0.00 -0.76 0.00 0.00 57.45 56.95 1f55 n PHE 65 Cb 0.00 -0.41 0.46 0.00 0.35 0.00 0.00 39.48 39.88 1f55 n PHE 65 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 1f55 n SER 66 N -1.74 0.23 -0.11 -2.13 2.88 -1.26 0.26 113.62 111.76 1f55 n SER 66 Ca 0.00 1.17 -0.11 0.00 -1.33 0.00 0.00 58.87 58.60 1f55 n SER 66 Cb 0.00 -0.57 -0.03 0.00 -0.75 0.00 0.00 64.21 62.86 1f55 n SER 66 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 1f55 h GLU 67 N 0.00 0.55 -0.32 -1.46 5.08 -1.87 -1.62 114.58 114.93 1f55 h GLU 67 Ca 0.64 -0.17 0.09 0.00 -1.00 0.00 0.00 59.36 58.92 1f55 h GLU 67 Cb 1.82 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 31.00 1f55 h GLU 67 CO -0.50 0.68 0.24 0.35 -1.00 0.00 0.00 179.01 178.78 1f55 h PHE 68 N 0.35 0.00 0.02 4.33 3.57 0.41 -0.84 116.94 124.77 1f55 h PHE 68 Ca 0.09 0.00 -0.26 0.00 3.53 0.00 0.00 57.97 61.33 1f55 h PHE 68 Cb 0.42 0.00 0.02 0.00 2.79 0.00 0.00 35.95 39.19 1f55 h PHE 68 CO 0.03 0.00 -1.03 -0.07 -2.23 0.00 0.00 178.31 175.01 1f55 h LEU 69 N 0.00 0.88 -0.38 0.59 -0.00 -0.72 0.10 115.31 115.78 1f55 h LEU 69 Ca 0.15 -0.75 0.06 0.00 -0.00 0.00 0.00 57.88 57.35 1f55 h LEU 69 Cb 0.63 -0.27 -0.06 0.00 -0.00 0.00 0.00 40.66 40.96 1f55 h LEU 69 CO -0.00 1.52 0.03 0.00 -0.00 0.00 0.00 178.44 179.99 1f55 h ALA 70 N 0.37 0.37 0.11 1.53 0.00 -0.23 -1.76 119.26 119.65 1f55 h ALA 70 Ca -0.13 0.10 -0.28 0.00 0.00 0.00 0.00 54.91 54.59 1f55 h ALA 70 Cb 1.69 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 19.63 1f55 h ALA 70 CO 0.20 -0.37 -1.37 1.25 0.00 0.00 0.00 179.25 178.96 1f55 h LEU 71 N 0.14 0.36 0.00 0.00 6.46 -1.56 -3.40 115.31 117.31 1f55 h LEU 71 Ca 0.19 -0.44 0.00 0.00 -0.12 0.00 0.00 57.88 57.51 1f55 h LEU 71 Cb 0.25 -0.12 0.00 0.00 -0.73 0.00 0.00 40.66 40.06 1f55 h LEU 71 CO -0.28 1.35 0.00 0.80 -0.62 0.00 0.00 178.44 179.69 1f55 n MET 72 N -3.46 0.00 -1.55 1.25 1.56 0.36 -4.18 117.12 111.10 1f55 n MET 72 Ca -0.12 0.00 -0.22 0.00 -0.27 0.00 0.00 57.70 57.09 1f55 n MET 72 Cb 1.03 -0.93 -0.06 0.00 2.15 0.00 0.00 33.22 35.41 1f55 n MET 72 CO 0.00 0.00 0.00 0.43 -0.73 0.00 0.00 175.97 175.67 1f55 n SER 73 N -0.43 1.92 -0.07 6.12 7.64 -0.69 -4.71 113.62 123.40 1f55 n SER 73 Ca 0.00 -1.08 -0.06 0.00 1.01 0.00 0.00 58.87 58.74 1f55 n SER 73 Cb 0.00 -1.60 -0.02 0.00 -1.01 0.00 0.00 64.21 61.58 1f55 n SER 73 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 1f55 n ARG 74 N 8.81 0.39 0.00 1.43 0.63 -1.26 -4.84 116.66 121.82 1f55 n ARG 74 Ca 0.44 0.17 0.00 0.00 -0.92 0.00 0.00 57.85 57.54 1f55 n ARG 74 Cb 0.46 -1.20 0.00 0.00 0.45 0.00 0.00 32.46 32.17 1f55 n ARG 74 CO 0.00 0.00 0.00 0.94 -2.51 0.00 0.00 177.63 176.06 1f55 n GLN 75 N -3.96 0.00 -2.60 -0.14 7.27 -1.26 -4.16 117.38 112.53 1f55 n GLN 75 Ca -0.10 0.00 -0.22 0.00 0.07 0.00 0.00 57.00 56.75 1f55 n GLN 75 Cb 0.38 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.03 1f55 n GLN 75 CO 0.00 0.00 0.00 -0.11 0.07 0.00 0.00 177.06 177.02 1f55 n LEU 76 N 0.00 3.67 -0.23 1.69 0.00 -1.26 -5.26 117.00 115.60 1f55 n LEU 76 Ca 0.00 -4.87 0.15 0.00 0.00 0.00 0.00 56.01 51.29 1f55 n LEU 76 Cb 0.00 -0.19 0.74 0.00 0.00 0.00 0.00 43.42 43.98 1f55 n LEU 76 CO 0.00 2.08 0.99 1.17 0.00 0.00 0.00 177.39 181.63