#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 -4.42 6.43 2.88 -1.26 -5.05 113.62 112.20 1f55 n SER 2 Ca 0.00 0.00 -0.44 0.00 -1.33 0.00 0.00 58.87 57.10 1f55 n SER 2 Cb 0.00 0.06 -0.08 0.00 -0.75 0.00 0.00 64.21 63.44 1f55 n SER 2 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1f55 s ASN 3 N -1.39 6.16 0.00 -3.46 4.22 -1.26 -5.01 114.94 114.20 1f55 s ASN 3 Ca 0.00 -1.11 0.00 0.00 -2.14 0.00 0.00 52.86 49.61 1f55 s ASN 3 Cb 0.00 -2.20 0.00 0.00 1.28 0.00 0.00 41.25 40.33 1f55 s ASN 3 CO 0.00 -0.65 0.00 0.18 -2.04 0.00 0.00 177.10 174.59 1f55 n LEU 4 N 5.40 0.00 0.00 3.54 4.32 -1.26 -4.13 117.00 124.87 1f55 n LEU 4 Ca -0.11 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.88 1f55 n LEU 4 Cb 0.45 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.25 1f55 n LEU 4 CO 0.47 0.00 0.00 0.35 -1.22 0.00 0.00 177.39 176.99 1f55 n THR 5 N 0.00 0.00 -0.63 -5.08 -2.24 -1.26 -0.21 114.28 104.86 1f55 n THR 5 Ca 0.00 0.00 0.50 0.00 -2.27 0.00 0.00 64.05 62.28 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 -0.07 -0.78 -0.00 -1.97 1.06 114.58 112.81 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 -0.10 1.49 -0.00 0.00 0.00 179.01 180.40 1f55 h GLU 7 N 0.00 0.20 -0.15 1.06 4.57 -0.88 -0.96 114.58 118.42 1f55 h GLU 7 Ca 0.86 -0.11 -0.06 0.00 -1.18 0.00 0.00 59.36 58.87 1f55 h GLU 7 Cb 3.46 0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 32.06 1f55 h GLU 7 CO -0.01 0.66 -0.14 -0.56 -1.18 0.00 0.00 179.01 177.78 1f55 h GLN 8 N -0.26 0.36 0.25 1.92 3.07 0.13 -2.79 115.11 117.80 1f55 h GLN 8 Ca 0.01 -0.19 -0.00 0.00 0.09 0.00 0.00 58.65 58.56 1f55 h GLN 8 Cb 0.64 0.01 -0.02 0.00 0.08 0.00 0.00 27.48 28.18 1f55 h GLN 8 CO 0.02 0.74 -0.37 0.82 0.09 0.00 0.00 178.83 180.14 1f55 h ILE 9 N -0.00 0.00 -0.87 1.86 2.04 -0.55 0.36 117.51 120.35 1f55 h ILE 9 Ca 0.02 0.00 0.19 0.00 1.00 0.00 0.00 64.86 66.08 1f55 h ILE 9 Cb 0.67 0.00 -0.16 0.00 -0.74 0.00 0.00 36.82 36.59 1f55 h ILE 9 CO 0.04 0.00 -0.13 0.00 0.00 0.00 0.00 178.15 178.06 1f55 h ALA 10 N -1.03 0.72 -0.61 1.87 0.00 -1.23 0.74 119.26 119.72 1f55 h ALA 10 Ca -0.03 0.32 -0.02 0.00 0.00 0.00 0.00 54.91 55.18 1f55 h ALA 10 Cb 0.59 0.60 -0.03 0.00 0.00 0.00 0.00 17.79 18.95 1f55 h ALA 10 CO -0.11 -0.43 0.31 0.93 0.00 0.00 0.00 179.25 179.95 1f55 h GLU 11 N 0.02 0.87 0.01 0.00 5.08 -1.09 -2.82 114.58 116.66 1f55 h GLU 11 Ca 0.45 -0.12 -0.00 0.00 -1.00 0.00 0.00 59.36 58.69 1f55 h GLU 11 Cb 0.76 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.85 1f55 h GLU 11 CO -0.85 0.69 -0.01 0.74 -1.00 0.00 0.00 179.01 178.58 1f55 h PHE 12 N 0.84 -0.02 -0.76 4.33 0.04 0.44 -2.68 116.94 119.13 1f55 h PHE 12 Ca 0.21 -0.00 0.13 0.00 2.80 0.00 0.00 57.97 61.11 1f55 h PHE 12 Cb 0.10 0.01 -0.13 0.00 2.20 0.00 0.00 35.95 38.12 1f55 h PHE 12 CO -0.00 0.08 -0.35 0.87 -0.60 0.00 0.00 178.31 178.31 1f55 h LYS 13 N -0.11 -0.09 -0.69 1.51 1.57 -0.04 1.08 116.57 119.80 1f55 h LYS 13 Ca -0.00 0.01 0.12 0.00 -1.87 0.00 0.00 60.65 58.91 1f55 h LYS 13 Cb 0.11 0.02 -0.09 0.00 0.08 0.00 0.00 32.23 32.35 1f55 h LYS 13 CO 0.00 -0.06 0.25 1.49 -0.57 0.00 0.00 179.45 180.57 1f55 h GLU 14 N -0.09 0.40 0.05 3.15 4.57 -1.28 -1.72 114.58 119.66 1f55 h GLU 14 Ca 0.29 -0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 58.44 1f55 h GLU 14 Cb 0.57 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 29.07 1f55 h GLU 14 CO -0.81 0.26 -0.02 0.00 -1.18 0.00 0.00 179.01 177.26 1f55 h ALA 15 N 1.50 -0.07 -0.15 2.92 0.00 0.78 -2.74 119.26 121.49 1f55 h ALA 15 Ca 0.37 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 55.12 1f55 h ALA 15 Cb 0.52 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1f55 h ALA 15 CO -0.37 -0.37 -0.14 0.35 0.00 0.00 0.00 179.25 178.72 1f55 h PHE 16 N -0.41 -0.44 -0.88 0.00 3.57 0.16 0.18 116.94 119.12 1f55 h PHE 16 Ca -0.01 0.02 0.23 0.00 3.53 0.00 0.00 57.97 61.75 1f55 h PHE 16 Cb 0.37 0.21 -0.15 0.00 2.79 0.00 0.00 35.95 39.17 1f55 h PHE 16 CO 0.04 -0.11 0.10 0.00 -2.23 0.00 0.00 178.31 176.10 1f55 h ALA 17 N -0.86 1.09 -1.13 2.41 0.00 -1.42 1.16 119.26 120.50 1f55 h ALA 17 Ca 0.03 0.27 0.32 0.00 0.00 0.00 0.00 54.91 55.52 1f55 h ALA 17 Cb 0.13 0.44 -0.08 0.00 0.00 0.00 0.00 17.79 18.28 1f55 h ALA 17 CO -0.18 -0.49 0.77 1.25 0.00 0.00 0.00 179.25 180.60 1f55 h LEU 18 N 0.11 0.25 0.00 0.00 5.85 -0.34 -0.76 115.31 120.43 1f55 h LEU 18 Ca 0.53 0.06 -0.00 0.00 0.84 0.00 0.00 57.88 59.30 1f55 h LEU 18 Cb 1.04 0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.09 1f55 h LEU 18 CO -0.75 0.02 -0.00 -0.26 -0.34 0.00 0.00 178.44 177.11 1f55 h PHE 19 N 0.21 -0.01 -3.11 1.25 0.04 0.19 -3.44 116.94 112.07 1f55 h PHE 19 Ca 0.61 -0.00 -0.42 0.00 2.80 0.00 0.00 57.97 60.96 1f55 h PHE 19 Cb 1.93 0.00 0.22 0.00 2.20 0.00 0.00 35.95 40.30 1f55 h PHE 19 CO -0.00 0.87 -0.05 0.34 -0.60 0.00 0.00 178.31 178.86 1f55 s ASP 20 N -6.10 0.15 -0.12 2.17 2.15 -0.29 -3.00 116.67 111.63 1f55 s ASP 20 Ca -0.17 1.32 0.20 0.00 0.43 0.00 0.00 52.55 54.33 1f55 s ASP 20 Cb -0.02 -2.02 0.44 0.00 -0.30 0.00 0.00 42.92 41.01 1f55 s ASP 20 CO 0.64 -4.69 1.18 0.29 -0.17 0.00 0.00 175.17 172.42 1f55 n LYS 21 N -5.23 0.96 -0.51 4.34 4.76 -1.26 -4.80 118.16 116.42 1f55 n LYS 21 Ca 0.05 -2.74 -0.02 0.00 -2.87 0.00 0.00 58.31 52.73 1f55 n LYS 21 Cb 0.56 -0.86 -0.02 0.00 -1.84 0.00 0.00 35.03 32.87 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 -0.22 -0.25 -2.23 4.39 5.75 -1.26 -4.97 116.55 117.77 1f55 n ASP 22 Ca 0.13 -0.63 0.00 0.00 -0.01 0.00 0.00 54.79 54.28 1f55 n ASP 22 Cb 0.95 0.07 0.00 0.00 -1.03 0.00 0.00 41.12 41.12 1f55 n ASP 22 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 1f55 n ASN 23 N 0.00 -0.83 0.00 -1.12 3.02 -1.26 -4.67 115.26 110.40 1f55 n ASN 23 Ca -0.07 0.42 0.06 0.00 -0.03 0.00 0.00 54.58 54.96 1f55 n ASN 23 Cb 0.34 -0.90 0.38 0.00 -0.61 0.00 0.00 39.78 38.99 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 -1.11 0.00 -0.19 6.41 4.05 -1.26 -4.81 115.26 118.35 1f55 n ASN 24 Ca 0.00 -1.28 -0.03 0.00 0.45 0.00 0.00 54.58 53.73 1f55 n ASN 24 Cb 0.42 0.00 -0.01 0.00 1.23 0.00 0.00 39.78 41.41 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 0.50 0.41 3.01 8.20 0.00 -1.26 -4.95 105.19 111.10 1f55 n GLY 25 Ca 0.10 -0.08 -0.09 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.16 0.25 0.35 1.61 0.15 -1.26 -3.05 113.70 109.59 1f55 s SER 26 Ca 0.00 -0.54 0.04 0.00 0.70 0.00 0.00 55.95 56.15 1f55 s SER 26 Cb 0.00 0.12 -0.06 0.00 -1.71 0.00 0.00 66.02 64.38 1f55 s SER 26 CO 0.00 -0.35 0.06 -0.63 1.20 0.00 0.00 173.24 173.53 1f55 s ILE 27 N -1.79 1.13 0.03 6.45 1.01 -0.47 -4.70 121.20 122.86 1f55 s ILE 27 Ca -0.13 -2.00 -0.01 0.00 0.00 0.00 0.00 60.65 58.52 1f55 s ILE 27 Cb -0.07 -2.71 0.00 0.00 0.01 0.00 0.00 42.46 39.69 1f55 s ILE 27 CO -0.02 0.00 0.05 -0.24 0.00 0.00 0.00 174.94 174.73 1f55 n SER 28 N -0.82 -0.15 -0.28 3.58 2.88 -1.26 -0.74 113.62 116.83 1f55 n SER 28 Ca -0.04 -1.15 -0.06 0.00 -1.33 0.00 0.00 58.87 56.30 1f55 n SER 28 Cb 0.66 0.26 0.07 0.00 -0.75 0.00 0.00 64.21 64.45 1f55 n SER 28 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 1f55 h SER 29 N 0.17 1.09 0.18 -3.46 4.64 -1.80 -2.45 113.55 111.92 1f55 h SER 29 Ca -0.03 -0.18 -0.01 0.00 -0.47 0.00 0.00 61.79 61.10 1f55 h SER 29 Cb 0.10 -0.28 0.00 0.00 -0.31 0.00 0.00 62.40 61.91 1f55 h SER 29 CO 0.03 0.98 -0.09 -1.28 -0.87 0.00 0.00 176.83 175.60 1f55 h SER 30 N 1.13 -0.21 -0.58 4.97 0.87 -1.93 -1.88 113.55 115.91 1f55 h SER 30 Ca 0.25 0.01 0.06 0.00 -1.23 0.00 0.00 61.79 60.88 1f55 h SER 30 Cb 0.25 0.05 -0.08 0.00 -0.44 0.00 0.00 62.40 62.19 1f55 h SER 30 CO -0.02 0.11 -0.42 -0.33 -0.53 0.00 0.00 176.83 175.64 1f55 h GLU 31 N -0.76 -0.09 -0.13 2.24 5.08 -1.84 0.43 114.58 119.51 1f55 h GLU 31 Ca -0.03 0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.38 1f55 h GLU 31 Cb 0.19 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.42 1f55 h GLU 31 CO 0.04 -0.06 -0.09 1.25 -1.00 0.00 0.00 179.01 179.15 1f55 h LEU 32 N -0.09 -0.29 -2.01 1.33 6.46 -1.34 -0.31 115.31 119.08 1f55 h LEU 32 Ca 0.10 0.06 0.16 0.00 -0.12 0.00 0.00 57.88 58.08 1f55 h LEU 32 Cb 0.34 0.15 -0.02 0.00 -0.73 0.00 0.00 40.66 40.39 1f55 h LEU 32 CO -0.60 -0.12 0.44 0.00 -0.62 0.00 0.00 178.44 177.54 1f55 h ALA 33 N 1.01 2.44 0.00 1.25 0.00 -0.22 0.27 119.26 124.01 1f55 h ALA 33 Ca 0.08 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1f55 h ALA 33 Cb 0.21 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 1f55 h ALA 33 CO -0.19 -0.73 -0.01 1.15 0.00 0.00 0.00 179.25 179.47 1f55 h THR 34 N 0.00 0.30 0.00 0.00 2.02 0.16 -1.88 112.91 113.52 1f55 h THR 34 Ca 0.26 -0.07 0.00 0.00 0.77 0.00 0.00 66.41 67.38 1f55 h THR 34 Cb 1.15 1.05 0.00 0.00 -1.74 0.00 0.00 68.15 68.61 1f55 h THR 34 CO -0.00 0.01 0.32 0.58 0.37 0.00 0.00 175.52 176.80 1f55 h VAL 35 N 0.00 0.00 0.00 3.16 2.07 -0.50 0.29 116.25 121.27 1f55 h VAL 35 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1f55 h VAL 35 Cb 0.05 0.60 0.00 0.00 -1.52 0.00 0.00 31.29 30.42 1f55 h VAL 35 CO 0.00 0.00 0.00 0.23 0.02 0.00 0.00 177.57 177.82 1f55 n MET 36 N -2.73 0.02 -0.30 1.57 2.81 -0.71 -3.60 117.12 114.19 1f55 n MET 36 Ca -0.02 0.28 -0.08 0.00 -1.81 0.00 0.00 57.70 56.08 1f55 n MET 36 Cb 0.36 -1.50 -0.04 0.00 -0.71 0.00 0.00 33.22 31.33 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 -0.13 0.00 0.03 2.43 -0.66 2.17 114.38 118.22 1f55 h ARG 37 Ca 0.00 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 1f55 h ARG 37 Cb 0.19 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.77 1f55 h ARG 37 CO 0.00 -0.08 0.00 0.77 -1.51 0.00 0.00 179.97 179.15 1f55 h SER 38 N -0.13 0.00 -0.17 -3.80 0.02 -1.83 -2.89 113.55 104.74 1f55 h SER 38 Ca 0.20 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 61.09 1f55 h SER 38 Cb 0.53 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.04 1f55 h SER 38 CO -0.81 0.00 -0.16 0.18 -1.14 0.00 0.00 176.83 174.90 1f55 n LEU 39 N -2.44 3.35 -0.99 5.07 4.32 0.41 -4.98 117.00 121.73 1f55 n LEU 39 Ca 0.02 -3.53 0.00 0.00 -0.02 0.00 0.00 56.01 52.48 1f55 n LEU 39 Cb 0.28 -0.55 0.00 0.00 -1.62 0.00 0.00 43.42 41.53 1f55 n LEU 39 CO 0.23 1.08 0.00 0.61 -1.22 0.00 0.00 177.39 178.09 1f55 n GLY 40 N -1.08 -0.28 3.54 -0.72 0.00 0.63 -4.86 105.19 102.43 1f55 n GLY 40 Ca 0.24 -0.30 -0.30 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.32 1.40 -2.67 0.99 7.94 0.33 -4.52 117.00 120.15 1f55 n LEU 41 Ca 0.00 -0.60 -0.04 0.00 -1.11 0.00 0.00 56.01 54.26 1f55 n LEU 41 Cb 0.00 -1.36 0.07 0.00 0.53 0.00 0.00 43.42 42.66 1f55 n LEU 41 CO 0.00 -1.64 0.67 -0.24 -1.11 0.00 0.00 177.39 175.07 1f55 n SER 42 N 14.45 -1.27 -3.08 1.96 2.88 -1.26 -4.92 113.62 122.37 1f55 n SER 42 Ca 0.48 -1.90 0.00 0.00 -1.33 0.00 0.00 58.87 56.12 1f55 n SER 42 Cb 0.37 1.14 0.00 0.00 -0.75 0.00 0.00 64.21 64.97 1f55 n SER 42 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1f55 n PRO 43 N 0.11 0.97 -3.87 -1.46 -0.04 -1.26 -5.10 135.00 124.33 1f55 n PRO 43 Ca -0.12 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.22 1f55 n PRO 43 Cb 0.72 0.00 -0.12 0.00 -0.04 0.00 0.00 33.50 34.06 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 -1.11 -0.00 0.18 3.54 0.01 -1.26 -4.97 113.70 110.08 1f55 s SER 44 Ca 0.00 -0.05 -0.11 0.00 1.31 0.00 0.00 55.95 57.10 1f55 s SER 44 Cb 0.00 0.18 0.22 0.00 0.21 0.00 0.00 66.02 66.63 1f55 s SER 44 CO 0.00 -0.17 1.16 1.21 0.41 0.00 0.00 173.24 175.84 1f55 n GLU 45 N 2.34 -0.15 -0.10 12.44 4.07 -1.26 0.40 120.64 138.39 1f55 n GLU 45 Ca -0.17 1.15 -0.06 0.00 -0.06 0.00 0.00 57.16 58.01 1f55 n GLU 45 Cb 0.58 -1.71 -0.05 0.00 -0.06 0.00 0.00 31.44 30.20 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 1.14 -0.48 0.34 4.31 0.00 -1.98 0.46 119.26 123.06 1f55 h ALA 46 Ca 0.28 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.19 1f55 h ALA 46 Cb 0.47 0.97 0.00 0.00 0.00 0.00 0.00 17.79 19.23 1f55 h ALA 46 CO -0.74 -0.62 -0.17 0.93 0.00 0.00 0.00 179.25 178.65 1f55 h GLU 47 N -0.15 -0.44 0.00 0.00 4.39 -1.12 0.22 114.58 117.47 1f55 h GLU 47 Ca 0.04 0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.77 1f55 h GLU 47 Cb 0.27 0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.02 1f55 h GLU 47 CO -0.32 -0.19 0.00 0.28 -1.16 0.00 0.00 179.01 177.61 1f55 n VAL 48 N -5.22 0.00 -0.30 3.13 0.31 0.16 0.51 118.33 116.93 1f55 n VAL 48 Ca -0.10 1.46 0.03 0.00 -0.01 0.00 0.00 64.34 65.72 1f55 n VAL 48 Cb 0.25 -2.02 0.18 0.00 -0.91 0.00 0.00 33.84 31.34 1f55 n VAL 48 CO 0.00 0.00 0.00 -1.13 -1.32 0.00 0.00 176.83 174.38 1f55 h ASN 49 N 0.00 0.70 -0.73 4.52 -1.24 -0.14 -0.05 115.58 118.65 1f55 h ASN 49 Ca 0.00 0.05 0.11 0.00 0.71 0.00 0.00 56.30 57.17 1f55 h ASN 49 Cb 0.00 -0.09 -0.05 0.00 0.73 0.00 0.00 38.32 38.91 1f55 h ASN 49 CO 0.00 0.40 0.48 0.44 -1.29 0.00 0.00 177.43 177.46 1f55 h ASP 50 N 0.81 0.51 0.37 1.15 5.19 0.15 0.18 116.42 124.78 1f55 h ASP 50 Ca 0.41 0.02 -0.02 0.00 -0.62 0.00 0.00 57.03 56.82 1f55 h ASP 50 Cb 0.38 -0.09 0.00 0.00 0.18 0.00 0.00 39.33 39.81 1f55 h ASP 50 CO -0.25 0.30 -0.18 -0.07 -3.12 0.00 0.00 179.24 175.92 1f55 h LEU 51 N 0.57 -0.42 -0.03 1.55 4.07 0.20 0.47 115.31 121.72 1f55 h LEU 51 Ca 0.34 -0.14 0.01 0.00 0.08 0.00 0.00 57.88 58.16 1f55 h LEU 51 Cb 0.56 0.11 -0.01 0.00 1.08 0.00 0.00 40.66 42.40 1f55 h LEU 51 CO -0.12 -0.02 -0.01 -0.03 -1.08 0.00 0.00 178.44 177.19 1f55 h MET 52 N -0.91 -0.00 0.00 1.13 1.85 -1.15 -2.07 114.93 113.78 1f55 h MET 52 Ca -0.05 0.00 -0.05 0.00 -0.61 0.00 0.00 59.70 58.99 1f55 h MET 52 Cb 0.54 0.00 -0.01 0.00 0.43 0.00 0.00 31.60 32.56 1f55 h MET 52 CO 0.08 -0.00 -0.23 -0.97 -0.40 0.00 0.00 176.91 175.40 1f55 h ASN 53 N -0.00 0.00 -0.96 1.39 -0.00 -0.72 -0.47 115.58 114.82 1f55 h ASN 53 Ca 0.01 0.00 0.10 0.00 -0.00 0.00 0.00 56.30 56.41 1f55 h ASN 53 Cb 0.02 0.00 -0.08 0.00 -0.00 0.00 0.00 38.32 38.26 1f55 h ASN 53 CO -0.03 0.23 0.60 -0.33 -0.00 0.00 0.00 177.43 177.90 1f55 h GLU 54 N 0.00 0.97 -0.01 6.67 4.39 0.69 -2.50 114.58 124.79 1f55 h GLU 54 Ca -0.00 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.64 1f55 h GLU 54 Cb 0.57 -0.22 0.00 0.00 -0.10 0.00 0.00 28.75 29.00 1f55 h GLU 54 CO 0.03 0.64 -0.09 0.44 -1.16 0.00 0.00 179.01 178.87 1f55 n ILE 55 N -4.62 0.00 -1.77 3.13 -5.35 -1.11 -4.90 119.36 104.74 1f55 n ILE 55 Ca 0.17 -0.46 -0.24 0.00 -0.27 0.00 0.00 62.75 61.95 1f55 n ILE 55 Cb 0.29 1.22 -0.05 0.00 -1.74 0.00 0.00 39.64 39.36 1f55 n ILE 55 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 1f55 s ASP 56 N -1.23 4.52 0.40 7.28 -1.08 -0.20 -4.65 116.67 121.71 1f55 s ASP 56 Ca 0.13 0.00 0.08 0.00 -0.52 0.00 0.00 52.55 52.25 1f55 s ASP 56 Cb 0.10 -2.54 0.87 0.00 -1.46 0.00 0.00 42.92 39.89 1f55 s ASP 56 CO 0.21 -3.21 2.01 -0.37 0.52 0.00 0.00 175.17 174.33 1f55 h VAL 57 N 7.46 1.03 0.00 1.11 -1.51 -1.87 -2.67 116.25 119.79 1f55 h VAL 57 Ca -0.03 -0.20 -0.14 0.00 -1.23 0.00 0.00 66.70 65.10 1f55 h VAL 57 Cb 1.06 0.39 -0.03 0.00 -2.13 0.00 0.00 31.29 30.59 1f55 h VAL 57 CO 1.12 0.11 -2.05 -0.90 -1.23 0.00 0.00 177.57 174.61 1f55 n ASP 58 N -4.47 0.09 -1.70 4.19 5.68 -1.26 -5.02 116.55 114.06 1f55 n ASP 58 Ca 0.07 0.04 -0.02 0.00 -0.50 0.00 0.00 54.79 54.38 1f55 n ASP 58 Cb 0.19 1.48 0.01 0.00 -1.14 0.00 0.00 41.12 41.66 1f55 n ASP 58 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1f55 n GLY 59 N 1.43 0.56 1.33 6.12 0.00 -1.01 -4.99 105.19 108.64 1f55 n GLY 59 Ca -0.14 -0.19 -0.09 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.69 3.36 0.00 1.61 6.94 -1.26 -4.90 115.26 119.32 1f55 n ASN 60 Ca -0.02 -3.82 0.00 0.00 -0.02 0.00 0.00 54.58 50.72 1f55 n ASN 60 Cb 0.52 -0.50 0.00 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 -0.96 0.00 -3.63 -2.53 8.25 -1.26 -4.91 115.22 110.19 1f55 n HIS 61 Ca 0.33 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.69 1f55 n HIS 61 Cb 0.86 -1.20 -0.03 0.00 1.12 0.00 0.00 29.99 30.74 1f55 n HIS 61 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 1f55 s GLN 62 N -1.10 1.36 0.22 -0.41 -0.21 -1.26 -4.02 119.66 114.24 1f55 s GLN 62 Ca 0.00 -0.72 0.03 0.00 0.02 0.00 0.00 55.36 54.69 1f55 s GLN 62 Cb 0.00 0.55 -0.01 0.00 1.00 0.00 0.00 33.01 34.55 1f55 s GLN 62 CO 0.00 -0.59 0.12 0.44 -2.12 0.00 0.00 175.29 173.14 1f55 n ILE 63 N -0.36 0.00 -4.23 1.08 -6.64 0.08 -4.71 119.36 104.59 1f55 n ILE 63 Ca -0.12 -1.41 -0.13 0.00 -1.77 0.00 0.00 62.75 59.31 1f55 n ILE 63 Cb 0.63 0.59 -0.10 0.00 -1.44 0.00 0.00 39.64 39.32 1f55 n ILE 63 CO 0.00 0.00 0.00 -1.61 -1.77 0.00 0.00 176.55 173.17 1f55 s GLU 64 N -2.87 1.02 0.00 6.28 2.02 -1.26 -1.37 118.70 122.52 1f55 s GLU 64 Ca 0.17 -1.45 0.00 0.00 0.02 0.00 0.00 54.97 53.71 1f55 s GLU 64 Cb 0.01 -0.43 0.00 0.00 0.10 0.00 0.00 34.13 33.80 1f55 s GLU 64 CO 0.12 -0.00 0.85 0.34 0.02 0.00 0.00 175.26 176.58 1f55 n PHE 65 N -0.18 0.00 -0.24 1.61 7.35 -1.17 -0.52 117.46 124.31 1f55 n PHE 65 Ca -0.10 0.00 0.21 0.00 -0.76 0.00 0.00 57.45 56.81 1f55 n PHE 65 Cb 0.61 -0.35 0.40 0.00 0.35 0.00 0.00 39.48 40.49 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 -2.22 0.19 -0.10 -2.13 2.88 -1.26 0.26 113.62 111.24 1f55 n SER 66 Ca 0.00 1.26 -0.10 0.00 -1.33 0.00 0.00 58.87 58.69 1f55 n SER 66 Cb 0.00 -0.58 -0.03 0.00 -0.75 0.00 0.00 64.21 62.85 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 0.48 -0.56 -1.46 5.08 -1.13 -1.04 114.58 115.95 1f55 h GLU 67 Ca 0.60 -0.11 0.12 0.00 -1.00 0.00 0.00 59.36 58.97 1f55 h GLU 67 Cb 1.54 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 30.69 1f55 h GLU 67 CO -0.61 0.53 0.38 0.35 -1.00 0.00 0.00 179.01 178.67 1f55 h PHE 68 N 0.34 0.27 0.02 4.33 3.57 0.50 -1.64 116.94 124.33 1f55 h PHE 68 Ca 0.10 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.61 1f55 h PHE 68 Cb 0.25 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 38.90 1f55 h PHE 68 CO 0.01 0.12 -0.01 -0.07 -2.23 0.00 0.00 178.31 176.13 1f55 h LEU 69 N 0.25 -0.02 -0.95 0.59 -0.00 -0.39 0.16 115.31 114.95 1f55 h LEU 69 Ca 0.26 -0.55 0.28 0.00 -0.00 0.00 0.00 57.88 57.87 1f55 h LEU 69 Cb 0.71 0.01 -0.14 0.00 -0.00 0.00 0.00 40.66 41.23 1f55 h LEU 69 CO -0.05 0.55 0.41 0.00 -0.00 0.00 0.00 178.44 179.35 1f55 h ALA 70 N 0.36 1.63 0.00 1.53 0.00 -0.26 0.41 119.26 122.94 1f55 h ALA 70 Ca -0.00 0.20 -0.21 0.00 0.00 0.00 0.00 54.91 54.90 1f55 h ALA 70 Cb 0.57 0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 1f55 h ALA 70 CO 0.00 -0.51 -1.21 1.25 0.00 0.00 0.00 179.25 178.79 1f55 h LEU 71 N 0.28 0.00 0.00 0.00 5.85 -1.44 -3.23 115.31 116.77 1f55 h LEU 71 Ca 0.64 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.36 1f55 h LEU 71 Cb 1.39 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.42 1f55 h LEU 71 CO -0.62 0.83 0.00 0.23 -0.34 0.00 0.00 178.44 178.53 1f55 n MET 72 N -3.14 0.00 -0.28 1.25 2.81 0.14 -3.24 117.12 114.66 1f55 n MET 72 Ca -0.07 0.00 0.33 0.00 -1.81 0.00 0.00 57.70 56.15 1f55 n MET 72 Cb 0.92 -0.71 0.60 0.00 -0.71 0.00 0.00 33.22 33.32 1f55 n MET 72 CO 0.00 0.00 0.00 0.77 1.51 0.00 0.00 175.97 178.25 1f55 h SER 73 N 0.00 0.00 -1.86 7.83 0.02 -1.57 -3.20 113.55 114.77 1f55 h SER 73 Ca 0.00 0.00 -0.68 0.00 -0.84 0.00 0.00 61.79 60.27 1f55 h SER 73 Cb 0.00 0.00 -0.15 0.00 0.14 0.00 0.00 62.40 62.39 1f55 h SER 73 CO 0.00 0.00 1.26 -0.60 -1.14 0.00 0.00 176.83 176.35 1f55 s ARG 74 N -4.61 3.74 0.23 3.45 3.52 -1.20 -4.95 118.95 119.14 1f55 s ARG 74 Ca -0.04 -1.79 -0.03 0.00 -0.13 0.00 0.00 55.73 53.74 1f55 s ARG 74 Cb 0.18 -5.13 -0.03 0.00 -1.56 0.00 0.00 34.95 28.41 1f55 s ARG 74 CO 0.60 -1.94 0.25 -1.14 -0.81 0.00 0.00 175.30 172.27 1f55 s GLN 75 N 3.22 1.38 0.24 5.12 0.74 -1.21 -4.80 119.66 124.35 1f55 s GLN 75 Ca 0.40 -1.57 0.01 0.00 0.05 0.00 0.00 55.36 54.25 1f55 s GLN 75 Cb -0.02 0.34 -0.05 0.00 1.10 0.00 0.00 33.01 34.38 1f55 s GLN 75 CO -0.06 -0.50 0.09 -0.48 -0.55 0.00 0.00 175.29 173.78 1f55 s LEU 76 N -3.15 1.67 0.00 3.68 2.34 -1.26 -5.19 118.68 116.77 1f55 s LEU 76 Ca 0.34 -1.36 0.00 0.00 0.06 0.00 0.00 54.13 53.18 1f55 s LEU 76 Cb 0.04 0.04 0.00 0.00 -0.56 0.00 0.00 46.19 45.71 1f55 s LEU 76 CO 0.13 -0.72 0.00 1.17 -1.06 0.00 0.00 176.35 175.87