#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f55 n SER 2 N 0.00 0.00 -3.50 -3.46 2.88 -1.26 -5.13 113.62 103.15 1f55 n SER 2 Ca 0.00 0.00 -0.29 0.00 -1.33 0.00 0.00 58.87 57.25 1f55 n SER 2 Cb 0.00 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.34 1f55 n SER 2 CO 0.00 0.00 0.00 0.20 -1.23 0.00 0.00 175.04 174.01 1f55 s ASN 3 N 1.16 2.98 0.00 -3.46 -0.87 -1.26 -5.09 114.94 108.40 1f55 s ASN 3 Ca 0.00 -2.34 0.00 0.00 -1.57 0.00 0.00 52.86 48.95 1f55 s ASN 3 Cb 0.00 -0.52 0.00 0.00 -0.02 0.00 0.00 41.25 40.71 1f55 s ASN 3 CO 0.00 -0.29 0.00 0.18 -2.57 0.00 0.00 177.10 174.42 1f55 n LEU 4 N 3.85 0.00 0.00 0.60 4.77 -1.26 -4.27 117.00 120.69 1f55 n LEU 4 Ca 0.13 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.11 1f55 n LEU 4 Cb 0.37 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 1f55 n LEU 4 CO 0.15 0.00 0.00 0.35 -1.33 0.00 0.00 177.39 176.56 1f55 n THR 5 N 0.00 0.00 -0.62 -5.08 -2.24 -1.26 -0.68 114.28 104.40 1f55 n THR 5 Ca 0.00 0.00 0.49 0.00 -2.27 0.00 0.00 64.05 62.27 1f55 n THR 5 Cb 0.00 0.00 0.81 0.00 -2.10 0.00 0.00 70.33 69.04 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 -0.09 -0.78 -0.00 -1.97 0.91 114.58 112.65 1f55 h GLU 6 Ca 0.00 -0.00 -0.04 0.00 -0.00 0.00 0.00 59.36 59.32 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 -0.09 1.49 -0.00 0.00 0.00 179.01 180.41 1f55 h GLU 7 N 0.00 0.22 -0.11 1.06 4.81 -1.15 -0.94 114.58 118.47 1f55 h GLU 7 Ca 0.86 -0.11 -0.08 0.00 -0.13 0.00 0.00 59.36 59.89 1f55 h GLU 7 Cb 3.43 0.00 0.00 0.00 0.63 0.00 0.00 28.75 32.81 1f55 h GLU 7 CO -0.02 0.64 -0.24 -0.56 -0.73 0.00 0.00 179.01 178.10 1f55 h GLN 8 N -0.20 0.35 0.18 1.92 3.07 0.11 -2.77 115.11 117.78 1f55 h GLN 8 Ca 0.01 -0.24 0.00 0.00 0.09 0.00 0.00 58.65 58.52 1f55 h GLN 8 Cb 0.60 0.03 -0.02 0.00 0.08 0.00 0.00 27.48 28.17 1f55 h GLN 8 CO 0.02 0.84 -0.33 0.82 0.09 0.00 0.00 178.83 180.28 1f55 h ILE 9 N -0.08 0.00 -0.82 1.86 2.04 -0.51 0.42 117.51 120.41 1f55 h ILE 9 Ca -0.00 0.00 0.17 0.00 1.00 0.00 0.00 64.86 66.03 1f55 h ILE 9 Cb 0.84 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 36.77 1f55 h ILE 9 CO 0.05 0.00 -0.15 0.00 0.00 0.00 0.00 178.15 178.05 1f55 h ALA 10 N -1.06 0.62 -0.87 1.87 0.00 -1.25 0.84 119.26 119.42 1f55 h ALA 10 Ca -0.02 0.31 0.01 0.00 0.00 0.00 0.00 54.91 55.21 1f55 h ALA 10 Cb 0.51 0.59 -0.04 0.00 0.00 0.00 0.00 17.79 18.84 1f55 h ALA 10 CO -0.12 -0.42 0.57 1.49 0.00 0.00 0.00 179.25 180.78 1f55 h GLU 11 N 0.02 1.13 -0.24 0.00 4.81 -1.05 -2.47 114.58 116.77 1f55 h GLU 11 Ca 0.41 -0.07 -0.03 0.00 -0.13 0.00 0.00 59.36 59.54 1f55 h GLU 11 Cb 0.66 -0.25 -0.01 0.00 0.63 0.00 0.00 28.75 29.78 1f55 h GLU 11 CO -0.82 0.75 0.04 0.74 -0.73 0.00 0.00 179.01 178.99 1f55 h PHE 12 N 1.16 0.43 -0.72 0.92 0.04 0.50 -2.69 116.94 116.58 1f55 h PHE 12 Ca 0.32 -0.06 0.12 0.00 2.80 0.00 0.00 57.97 61.15 1f55 h PHE 12 Cb -0.12 -0.12 -0.13 0.00 2.20 0.00 0.00 35.95 37.79 1f55 h PHE 12 CO -0.01 0.52 -0.38 0.87 -0.60 0.00 0.00 178.31 178.71 1f55 h LYS 13 N 0.20 -0.12 -0.62 1.51 1.79 0.27 1.17 116.57 120.77 1f55 h LYS 13 Ca 0.07 0.01 0.07 0.00 -2.18 0.00 0.00 60.65 58.62 1f55 h LYS 13 Cb 0.33 0.03 -0.06 0.00 -1.58 0.00 0.00 32.23 30.94 1f55 h LYS 13 CO 0.00 -0.08 0.30 1.49 -1.08 0.00 0.00 179.45 180.09 1f55 h GLU 14 N -0.12 0.53 0.05 3.15 4.81 -1.39 -2.10 114.58 119.50 1f55 h GLU 14 Ca 0.25 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.45 1f55 h GLU 14 Cb 0.56 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.82 1f55 h GLU 14 CO -0.78 0.35 -0.02 0.00 -0.73 0.00 0.00 179.01 177.83 1f55 h ALA 15 N 1.37 -0.06 -0.26 2.92 0.00 0.41 -2.74 119.26 120.89 1f55 h ALA 15 Ca 0.30 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 55.13 1f55 h ALA 15 Cb 0.27 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.04 1f55 h ALA 15 CO -0.23 -0.44 -0.34 0.35 0.00 0.00 0.00 179.25 178.59 1f55 h PHE 16 N -0.25 -1.04 -0.90 0.00 3.57 0.17 0.18 116.94 118.67 1f55 h PHE 16 Ca -0.01 0.05 0.24 0.00 3.53 0.00 0.00 57.97 61.78 1f55 h PHE 16 Cb 0.23 0.49 -0.16 0.00 2.79 0.00 0.00 35.95 39.29 1f55 h PHE 16 CO -0.01 -0.29 0.07 0.00 -2.23 0.00 0.00 178.31 175.85 1f55 h ALA 17 N -0.52 1.09 -0.99 2.41 0.00 -1.40 1.49 119.26 121.35 1f55 h ALA 17 Ca 0.05 0.29 0.20 0.00 0.00 0.00 0.00 54.91 55.44 1f55 h ALA 17 Cb 0.35 0.48 -0.10 0.00 0.00 0.00 0.00 17.79 18.53 1f55 h ALA 17 CO -0.37 -0.51 0.62 1.25 0.00 0.00 0.00 179.25 180.24 1f55 h LEU 18 N 0.08 0.69 0.06 0.00 6.46 -0.36 -1.28 115.31 120.95 1f55 h LEU 18 Ca 0.54 0.08 -0.00 0.00 -0.12 0.00 0.00 57.88 58.38 1f55 h LEU 18 Cb 1.07 -0.04 0.00 0.00 -0.73 0.00 0.00 40.66 40.96 1f55 h LEU 18 CO -0.79 0.24 -0.03 -0.26 -0.62 0.00 0.00 178.44 176.99 1f55 h PHE 19 N 0.67 -0.07 -4.08 1.25 0.04 0.29 -3.43 116.94 111.61 1f55 h PHE 19 Ca 0.56 -0.00 -0.49 0.00 2.80 0.00 0.00 57.97 60.83 1f55 h PHE 19 Cb 0.99 0.02 0.16 0.00 2.20 0.00 0.00 35.95 39.32 1f55 h PHE 19 CO -0.00 0.42 0.24 0.34 -0.60 0.00 0.00 178.31 178.70 1f55 s ASP 20 N -5.62 3.38 0.00 2.17 -1.08 -0.48 -2.58 116.67 112.46 1f55 s ASP 20 Ca -0.15 1.68 0.00 0.00 -0.52 0.00 0.00 52.55 53.55 1f55 s ASP 20 Cb 0.01 -2.33 0.00 0.00 -1.46 0.00 0.00 42.92 39.15 1f55 s ASP 20 CO 0.63 -2.73 0.54 0.29 0.52 0.00 0.00 175.17 174.42 1f55 n LYS 21 N -3.96 0.67 0.00 4.34 4.76 -1.26 -4.76 118.16 117.96 1f55 n LYS 21 Ca 0.08 -0.67 0.00 0.00 -2.87 0.00 0.00 58.31 54.85 1f55 n LYS 21 Cb 0.54 -0.70 0.00 0.00 -1.84 0.00 0.00 35.03 33.04 1f55 n LYS 21 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1f55 n ASP 22 N -0.13 0.26 -0.22 4.39 8.00 -1.26 -4.99 116.55 122.60 1f55 n ASP 22 Ca 0.00 -0.59 -0.03 0.00 0.71 0.00 0.00 54.79 54.88 1f55 n ASP 22 Cb 0.32 0.41 -0.01 0.00 -0.02 0.00 0.00 41.12 41.82 1f55 n ASP 22 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1f55 n ASN 23 N -0.41 -5.11 0.00 -2.24 3.02 -1.26 -4.80 115.26 104.46 1f55 n ASN 23 Ca 0.00 0.07 0.09 0.00 -0.03 0.00 0.00 54.58 54.71 1f55 n ASN 23 Cb 0.03 -2.86 0.55 0.00 -0.61 0.00 0.00 39.78 36.89 1f55 n ASN 23 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1f55 n ASN 24 N -0.67 0.00 0.00 6.41 5.03 -1.26 -4.79 115.26 119.98 1f55 n ASN 24 Ca -0.03 -0.57 0.00 0.00 0.87 0.00 0.00 54.58 54.85 1f55 n ASN 24 Cb 0.39 -0.01 0.00 0.00 -1.02 0.00 0.00 39.78 39.14 1f55 n ASN 24 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1f55 n GLY 25 N 0.17 0.46 2.97 7.41 0.00 -1.26 -5.02 105.19 109.92 1f55 n GLY 25 Ca 0.14 -0.55 -0.12 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.50 -0.05 -0.17 1.61 0.15 -1.26 -3.36 113.70 108.12 1f55 s SER 26 Ca 0.00 0.08 -0.07 0.00 0.70 0.00 0.00 55.95 56.66 1f55 s SER 26 Cb 0.00 0.16 -0.04 0.00 -1.71 0.00 0.00 66.02 64.43 1f55 s SER 26 CO 0.00 -0.08 0.06 -0.63 1.20 0.00 0.00 173.24 173.80 1f55 s ILE 27 N -0.18 4.81 0.07 6.45 1.01 0.14 -4.70 121.20 128.80 1f55 s ILE 27 Ca -0.02 -0.03 0.01 0.00 0.00 0.00 0.00 60.65 60.60 1f55 s ILE 27 Cb -0.02 -3.15 0.01 0.00 0.01 0.00 0.00 42.46 39.31 1f55 s ILE 27 CO 0.00 0.48 0.07 -0.24 0.00 0.00 0.00 174.94 175.25 1f55 n SER 28 N 3.33 0.79 0.00 3.58 2.88 -1.26 -1.90 113.62 121.03 1f55 n SER 28 Ca -0.17 -1.21 0.00 0.00 -1.33 0.00 0.00 58.87 56.16 1f55 n SER 28 Cb 0.52 -0.03 0.00 0.00 -0.75 0.00 0.00 64.21 63.96 1f55 n SER 28 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1f55 n SER 29 N -2.40 0.00 -0.31 -3.46 7.64 -1.25 -2.28 113.62 111.56 1f55 n SER 29 Ca 0.01 0.26 0.15 0.00 1.01 0.00 0.00 58.87 60.30 1f55 n SER 29 Cb 0.07 0.00 0.31 0.00 -1.01 0.00 0.00 64.21 63.59 1f55 n SER 29 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 1f55 h SER 30 N 0.00 -0.11 0.00 6.43 0.87 -1.97 -2.54 113.55 116.24 1f55 h SER 30 Ca 0.00 0.23 0.00 0.00 -1.23 0.00 0.00 61.79 60.79 1f55 h SER 30 Cb 0.00 0.33 0.00 0.00 -0.44 0.00 0.00 62.40 62.29 1f55 h SER 30 CO 0.00 -0.24 0.00 -0.62 -0.53 0.00 0.00 176.83 175.44 1f55 n GLU 31 N -5.30 0.00 -0.41 2.24 1.02 -1.19 -0.13 120.64 116.87 1f55 n GLU 31 Ca 0.23 0.48 0.33 0.00 -0.02 0.00 0.00 57.16 58.18 1f55 n GLU 31 Cb 0.75 -1.04 0.61 0.00 -0.02 0.00 0.00 31.44 31.74 1f55 n GLU 31 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1f55 h LEU 32 N 0.00 0.31 -1.35 -4.62 7.12 -1.15 1.24 115.31 116.86 1f55 h LEU 32 Ca 0.00 0.13 -0.02 0.00 0.13 0.00 0.00 57.88 58.12 1f55 h LEU 32 Cb 0.00 0.11 -0.02 0.00 -0.53 0.00 0.00 40.66 40.21 1f55 h LEU 32 CO 0.00 -0.13 0.21 0.00 -0.13 0.00 0.00 178.44 178.39 1f55 h ALA 33 N 1.63 1.50 -1.00 1.25 0.00 -0.25 -3.30 119.26 119.09 1f55 h ALA 33 Ca 0.77 -0.11 -0.70 0.00 0.00 0.00 0.00 54.91 54.86 1f55 h ALA 33 Cb 2.27 -0.19 -0.11 0.00 0.00 0.00 0.00 17.79 19.76 1f55 h ALA 33 CO -0.42 0.40 2.06 0.25 0.00 0.00 0.00 179.25 181.55 1f55 n THR 34 N -4.38 4.00 0.00 0.00 -2.24 0.43 -4.10 114.28 107.99 1f55 n THR 34 Ca 0.04 -4.18 0.00 0.00 -2.27 0.00 0.00 64.05 57.64 1f55 n THR 34 Cb 0.13 -2.41 0.00 0.00 -2.10 0.00 0.00 70.33 65.95 1f55 n THR 34 CO 0.00 0.00 0.00 0.55 -0.57 0.00 0.00 175.07 175.05 1f55 n VAL 35 N 5.55 0.00 0.13 2.28 3.14 -1.25 -4.72 118.33 123.46 1f55 n VAL 35 Ca 0.45 0.00 0.10 0.00 -2.96 0.00 0.00 64.34 61.93 1f55 n VAL 35 Cb 0.44 -0.03 -0.15 0.00 -1.06 0.00 0.00 33.84 33.03 1f55 n VAL 35 CO 0.00 0.00 0.00 0.23 -6.46 0.00 0.00 176.83 170.60 1f55 n MET 36 N -1.77 0.59 0.04 1.45 2.81 -1.26 -4.51 117.12 114.47 1f55 n MET 36 Ca 0.00 -0.16 -0.13 0.00 -1.81 0.00 0.00 57.70 55.60 1f55 n MET 36 Cb 0.00 -1.48 -0.07 0.00 -0.71 0.00 0.00 33.22 30.96 1f55 n MET 36 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1f55 h ARG 37 N 0.00 -0.53 -1.00 0.03 3.08 -1.38 0.60 114.38 115.18 1f55 h ARG 37 Ca 0.00 0.04 0.18 0.00 0.07 0.00 0.00 59.98 60.27 1f55 h ARG 37 Cb 0.87 0.12 -0.10 0.00 0.08 0.00 0.00 29.97 30.93 1f55 h ARG 37 CO 0.00 -0.35 0.62 0.66 -1.07 0.00 0.00 179.97 179.82 1f55 h SER 38 N -0.55 0.78 0.96 7.04 4.64 -1.84 0.46 113.55 125.04 1f55 h SER 38 Ca 0.05 0.09 -0.02 0.00 -0.47 0.00 0.00 61.79 61.44 1f55 h SER 38 Cb 0.64 -0.05 -0.00 0.00 -0.31 0.00 0.00 62.40 62.68 1f55 h SER 38 CO -0.34 0.30 -0.12 -0.07 -0.87 0.00 0.00 176.83 175.73 1f55 h LEU 39 N 0.77 0.00 0.00 5.97 4.07 -1.34 -3.46 115.31 121.32 1f55 h LEU 39 Ca 0.56 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.52 1f55 h LEU 39 Cb 0.87 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.61 1f55 h LEU 39 CO -0.36 0.12 0.00 0.61 -1.08 0.00 0.00 178.44 177.73 1f55 n GLY 40 N 0.08 0.34 3.15 0.83 0.00 0.16 -5.13 105.19 104.62 1f55 n GLY 40 Ca 0.00 -0.70 0.06 0.00 0.00 0.00 0.00 46.02 45.38 1f55 n GLY 40 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1f55 s LEU 41 N 0.00 -0.36 -0.53 0.99 2.96 -0.94 -4.91 118.68 115.89 1f55 s LEU 41 Ca 0.00 0.14 0.04 0.00 -0.22 0.00 0.00 54.13 54.09 1f55 s LEU 41 Cb 0.00 1.27 0.13 0.00 0.50 0.00 0.00 46.19 48.09 1f55 s LEU 41 CO 0.00 -0.07 0.28 -0.55 -1.32 0.00 0.00 176.35 174.70 1f55 s SER 42 N 2.96 4.30 0.00 3.68 0.15 -1.26 -1.31 113.70 122.22 1f55 s SER 42 Ca 0.10 -3.08 0.00 0.00 0.70 0.00 0.00 55.95 53.67 1f55 s SER 42 Cb -0.06 -1.59 0.00 0.00 -1.71 0.00 0.00 66.02 62.66 1f55 s SER 42 CO -0.15 -0.22 0.00 -0.81 1.20 0.00 0.00 173.24 173.26 1f55 n PRO 43 N 3.02 1.03 -4.24 5.44 -0.04 -1.26 -5.10 135.00 133.85 1f55 n PRO 43 Ca 0.07 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.39 1f55 n PRO 43 Cb 0.33 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.68 1f55 n PRO 43 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1f55 s SER 44 N -1.29 1.22 0.22 3.54 0.01 -1.26 -4.95 113.70 111.19 1f55 s SER 44 Ca 0.00 -1.17 -0.02 0.00 1.31 0.00 0.00 55.95 56.07 1f55 s SER 44 Cb 0.00 0.12 0.48 0.00 0.21 0.00 0.00 66.02 66.82 1f55 s SER 44 CO 0.00 -0.57 1.17 -1.84 0.41 0.00 0.00 173.24 172.41 1f55 n GLU 45 N -0.24 -0.06 -0.25 12.44 0.28 -1.26 0.61 120.64 132.16 1f55 n GLU 45 Ca -0.07 1.14 -0.05 0.00 -0.16 0.00 0.00 57.16 58.02 1f55 n GLU 45 Cb 0.63 -1.76 0.00 0.00 1.43 0.00 0.00 31.44 31.74 1f55 n GLU 45 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1f55 h ALA 46 N 1.49 -0.06 0.11 -1.84 0.00 -1.97 1.22 119.26 118.21 1f55 h ALA 46 Ca 0.41 0.18 -0.28 0.00 0.00 0.00 0.00 54.91 55.22 1f55 h ALA 46 Cb 0.77 0.88 0.02 0.00 0.00 0.00 0.00 17.79 19.46 1f55 h ALA 46 CO -0.73 -0.70 -1.20 0.93 0.00 0.00 0.00 179.25 177.56 1f55 h GLU 47 N -0.13 0.50 0.24 0.00 4.39 -0.22 -2.02 114.58 117.34 1f55 h GLU 47 Ca 0.25 -0.68 -0.01 0.00 0.34 0.00 0.00 59.36 59.25 1f55 h GLU 47 Cb 0.56 0.23 0.00 0.00 -0.10 0.00 0.00 28.75 29.44 1f55 h GLU 47 CO -0.76 1.29 -0.11 0.28 -1.16 0.00 0.00 179.01 178.55 1f55 h VAL 48 N 0.22 0.00 -0.87 3.13 2.07 0.82 -1.76 116.25 119.86 1f55 h VAL 48 Ca -0.16 -0.04 0.14 0.00 0.82 0.00 0.00 66.70 67.46 1f55 h VAL 48 Cb 1.87 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 31.58 1f55 h VAL 48 CO 0.22 0.00 0.56 -1.13 0.02 0.00 0.00 177.57 177.24 1f55 h ASN 49 N -0.35 0.63 -0.88 0.57 -1.24 0.13 -0.39 115.58 114.05 1f55 h ASN 49 Ca -0.03 0.04 0.05 0.00 0.71 0.00 0.00 56.30 57.06 1f55 h ASN 49 Cb 0.24 -0.09 -0.06 0.00 0.73 0.00 0.00 38.32 39.15 1f55 h ASN 49 CO 0.05 0.32 0.56 -0.78 -1.29 0.00 0.00 177.43 176.29 1f55 h ASP 50 N 0.67 0.91 0.34 1.15 3.58 -1.26 -2.67 116.42 119.14 1f55 h ASP 50 Ca 0.44 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.87 1f55 h ASP 50 Cb 0.72 -0.19 0.00 0.00 1.72 0.00 0.00 39.33 41.58 1f55 h ASP 50 CO -0.19 0.61 -0.16 0.25 -2.88 0.00 0.00 179.24 176.86 1f55 h LEU 51 N 1.06 -0.39 -0.84 2.28 7.12 -0.14 -3.00 115.31 121.39 1f55 h LEU 51 Ca 0.36 -0.12 0.15 0.00 0.13 0.00 0.00 57.88 58.41 1f55 h LEU 51 Cb 0.07 0.10 -0.15 0.00 -0.53 0.00 0.00 40.66 40.15 1f55 h LEU 51 CO -0.14 -0.10 -0.29 -0.03 -0.13 0.00 0.00 178.44 177.76 1f55 h MET 52 N -0.69 -0.03 -0.07 1.25 4.05 -1.23 0.17 114.93 118.39 1f55 h MET 52 Ca -0.05 0.00 0.04 0.00 -0.28 0.00 0.00 59.70 59.41 1f55 h MET 52 Cb 0.48 0.01 -0.06 0.00 -0.80 0.00 0.00 31.60 31.23 1f55 h MET 52 CO 0.08 -0.02 -0.38 -0.97 0.23 0.00 0.00 176.91 175.84 1f55 h ASN 53 N -0.03 -1.18 -1.14 1.39 -0.73 -1.41 2.17 115.58 114.64 1f55 h ASN 53 Ca 0.36 0.15 0.33 0.00 1.87 0.00 0.00 56.30 59.01 1f55 h ASN 53 Cb 0.61 0.48 -0.05 0.00 0.27 0.00 0.00 38.32 39.63 1f55 h ASN 53 CO -0.87 -0.42 1.10 -0.33 -0.37 0.00 0.00 177.43 176.54 1f55 h GLU 54 N -0.50 0.00 -0.00 6.67 5.08 -0.82 0.90 114.58 125.91 1f55 h GLU 54 Ca 0.07 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1f55 h GLU 54 Cb 0.61 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.86 1f55 h GLU 54 CO -0.34 0.00 -0.27 -0.89 -1.00 0.00 0.00 179.01 176.51 1f55 n ILE 55 N -3.55 0.00 -2.31 3.13 5.41 0.73 -4.65 119.36 118.13 1f55 n ILE 55 Ca 0.25 -0.36 -0.35 0.00 1.00 0.00 0.00 62.75 63.29 1f55 n ILE 55 Cb 1.45 1.01 -0.03 0.00 -0.71 0.00 0.00 39.64 41.36 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 -1.53 5.87 0.41 4.38 -1.08 0.70 -4.58 116.67 120.84 1f55 s ASP 56 Ca 0.03 -1.91 0.08 0.00 -0.52 0.00 0.00 52.55 50.23 1f55 s ASP 56 Cb 0.05 -2.58 0.86 0.00 -1.46 0.00 0.00 42.92 39.78 1f55 s ASP 56 CO 0.24 -2.18 2.02 -0.37 0.52 0.00 0.00 175.17 175.40 1f55 h VAL 57 N 6.04 1.12 0.08 1.11 -1.51 -1.86 -2.85 116.25 118.38 1f55 h VAL 57 Ca 0.30 -0.35 -0.33 0.00 -1.23 0.00 0.00 66.70 65.10 1f55 h VAL 57 Cb 0.92 0.74 -0.03 0.00 -2.13 0.00 0.00 31.29 30.79 1f55 h VAL 57 CO 1.33 0.14 -1.81 0.44 -1.23 0.00 0.00 177.57 176.44 1f55 h ASP 58 N 0.43 0.26 -1.17 4.19 3.32 -1.89 -3.49 116.42 118.07 1f55 h ASP 58 Ca 0.11 -0.53 0.00 0.00 0.02 0.00 0.00 57.03 56.63 1f55 h ASP 58 Cb 0.07 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.54 1f55 h ASP 58 CO -0.01 1.47 0.00 0.61 -1.72 0.00 0.00 179.24 179.59 1f55 n GLY 59 N 1.78 0.60 1.63 2.75 0.00 -1.08 -5.02 105.19 105.85 1f55 n GLY 59 Ca -0.24 -0.33 -0.16 0.00 0.00 0.00 0.00 46.02 45.29 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 -0.58 4.12 -1.29 1.61 0.23 -1.26 -4.91 115.26 113.18 1f55 n ASN 60 Ca 0.00 -3.80 -0.17 0.00 -0.53 0.00 0.00 54.58 50.09 1f55 n ASN 60 Cb 0.26 -0.44 -0.07 0.00 -2.08 0.00 0.00 39.78 37.44 1f55 n ASN 60 CO 0.00 0.00 0.00 1.41 -0.93 0.00 0.00 177.26 177.74 1f55 n HIS 61 N -0.85 0.00 -3.62 -2.53 8.25 -1.26 -4.90 115.22 110.31 1f55 n HIS 61 Ca 0.38 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.80 1f55 n HIS 61 Cb 0.89 -3.04 -0.02 0.00 1.12 0.00 0.00 29.99 28.95 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 -3.40 0.75 0.06 -0.41 -2.07 -1.26 -3.88 119.66 109.45 1f55 s GLN 62 Ca 0.00 -0.35 0.03 0.00 -1.82 0.00 0.00 55.36 53.21 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 -0.33 -0.08 0.96 -1.32 0.00 0.00 175.29 174.51 1f55 s ILE 63 N -2.90 0.67 0.41 3.63 -5.25 -0.80 -4.59 121.20 112.37 1f55 s ILE 63 Ca 0.10 -1.36 0.05 0.00 -0.99 0.00 0.00 60.65 58.44 1f55 s ILE 63 Cb 0.00 -0.98 0.00 0.00 2.95 0.00 0.00 42.46 44.43 1f55 s ILE 63 CO -0.04 -0.50 0.58 -1.61 -1.79 0.00 0.00 174.94 171.58 1f55 s GLU 64 N -2.25 2.95 0.00 0.37 2.02 -1.26 0.29 118.70 120.82 1f55 s GLU 64 Ca -0.02 -0.93 0.00 0.00 0.02 0.00 0.00 54.97 54.03 1f55 s GLU 64 Cb -0.06 -2.71 0.00 0.00 0.10 0.00 0.00 34.13 31.47 1f55 s GLU 64 CO -0.01 -0.20 0.92 0.34 0.02 0.00 0.00 175.26 176.33 1f55 n PHE 65 N -1.88 0.00 -0.26 1.61 7.35 -1.21 -0.90 117.46 122.17 1f55 n PHE 65 Ca 0.03 0.00 0.13 0.00 -0.76 0.00 0.00 57.45 56.85 1f55 n PHE 65 Cb 0.58 -0.42 0.25 0.00 0.35 0.00 0.00 39.48 40.24 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 -2.45 -0.04 -0.17 -2.13 2.88 -1.26 0.25 113.62 110.71 1f55 n SER 66 Ca 0.00 1.26 -0.08 0.00 -1.33 0.00 0.00 58.87 58.72 1f55 n SER 66 Cb 0.00 -0.48 0.01 0.00 -0.75 0.00 0.00 64.21 63.00 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 0.68 -0.27 -1.46 5.08 -1.32 -0.69 114.58 116.59 1f55 h GLU 67 Ca 0.47 -0.08 0.08 0.00 -1.00 0.00 0.00 59.36 58.83 1f55 h GLU 67 Cb 1.02 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.13 1f55 h GLU 67 CO -0.68 0.53 0.22 0.35 -1.00 0.00 0.00 179.01 178.42 1f55 h PHE 68 N 0.64 0.00 -0.01 4.33 3.57 0.50 0.04 116.94 126.01 1f55 h PHE 68 Ca 0.17 0.00 -0.24 0.00 3.53 0.00 0.00 57.97 61.44 1f55 h PHE 68 Cb 0.05 0.00 0.01 0.00 2.79 0.00 0.00 35.95 38.79 1f55 h PHE 68 CO -0.02 0.00 -0.95 -0.07 -2.23 0.00 0.00 178.31 175.04 1f55 h LEU 69 N 0.00 0.67 -0.58 0.59 -0.00 -0.19 0.24 115.31 116.04 1f55 h LEU 69 Ca 0.13 -0.52 0.01 0.00 -0.00 0.00 0.00 57.88 57.50 1f55 h LEU 69 Cb 0.56 -0.20 -0.03 0.00 -0.00 0.00 0.00 40.66 40.99 1f55 h LEU 69 CO -0.00 1.32 0.38 0.00 -0.00 0.00 0.00 178.44 180.14 1f55 h ALA 70 N 0.64 0.74 0.08 1.53 0.00 -0.16 -1.42 119.26 120.67 1f55 h ALA 70 Ca -0.09 -0.03 -0.21 0.00 0.00 0.00 0.00 54.91 54.57 1f55 h ALA 70 Cb 1.59 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 19.15 1f55 h ALA 70 CO 0.17 0.15 -1.08 1.25 0.00 0.00 0.00 179.25 179.75 1f55 h LEU 71 N 0.77 0.26 0.00 0.00 7.12 -1.50 -3.40 115.31 118.55 1f55 h LEU 71 Ca 0.22 -0.83 0.00 0.00 0.13 0.00 0.00 57.88 57.40 1f55 h LEU 71 Cb -0.06 -0.08 0.00 0.00 -0.53 0.00 0.00 40.66 39.98 1f55 h LEU 71 CO -0.06 1.46 0.00 0.80 -0.13 0.00 0.00 178.44 180.52 1f55 n MET 72 N -4.16 0.00 -3.62 1.25 1.56 0.85 -4.75 117.12 108.25 1f55 n MET 72 Ca -0.22 0.60 -0.20 0.00 -0.27 0.00 0.00 57.70 57.61 1f55 n MET 72 Cb 0.78 -1.46 -0.02 0.00 2.15 0.00 0.00 33.22 34.67 1f55 n MET 72 CO 0.00 0.00 0.00 -1.54 -0.73 0.00 0.00 175.97 173.70 1f55 s SER 73 N -2.28 5.75 0.00 6.12 1.04 -0.54 -5.05 113.70 118.75 1f55 s SER 73 Ca 0.00 -0.28 0.00 0.00 0.48 0.00 0.00 55.95 56.15 1f55 s SER 73 Cb 0.00 -1.18 0.00 0.00 0.10 0.00 0.00 66.02 64.94 1f55 s SER 73 CO 0.00 -0.38 0.00 0.54 0.98 0.00 0.00 173.24 174.38 1f55 n ARG 74 N -1.53 0.00 0.00 4.02 1.74 -1.26 -4.31 116.66 115.31 1f55 n ARG 74 Ca -0.01 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.07 1f55 n ARG 74 Cb 0.59 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.03 1f55 n ARG 74 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05 1f55 n GLN 75 N -0.11 0.91 -4.16 5.56 7.27 -1.26 -5.12 117.38 120.47 1f55 n GLN 75 Ca 0.00 0.00 -0.31 0.00 0.07 0.00 0.00 57.00 56.76 1f55 n GLN 75 Cb 0.00 0.00 -0.08 0.00 2.41 0.00 0.00 30.24 32.57 1f55 n GLN 75 CO 0.00 0.00 0.00 -1.17 0.07 0.00 0.00 177.06 175.96 1f55 s LEU 76 N 0.00 3.51 0.00 1.69 0.20 -1.26 -5.11 118.68 117.70 1f55 s LEU 76 Ca 0.00 -0.12 0.00 0.00 0.69 0.00 0.00 54.13 54.70 1f55 s LEU 76 Cb 0.00 -2.18 0.00 0.00 -0.43 0.00 0.00 46.19 43.58 1f55 s LEU 76 CO 0.00 0.20 0.28 0.29 -0.29 0.00 0.00 176.35 176.84