#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 -3.60 4.04 2.88 -1.26 -5.05 113.62 110.63 1f55 n SER 2 Ca 0.00 0.38 0.00 0.00 -1.33 0.00 0.00 58.87 57.92 1f55 n SER 2 Cb 0.00 -0.14 -0.01 0.00 -0.75 0.00 0.00 64.21 63.31 1f55 n SER 2 CO 0.00 0.00 0.00 0.21 -1.23 0.00 0.00 175.04 174.02 1f55 s ASN 3 N -1.76 -0.03 0.00 -3.46 3.84 -1.26 -5.17 114.94 107.09 1f55 s ASN 3 Ca 0.00 -0.03 0.00 0.00 0.21 0.00 0.00 52.86 53.04 1f55 s ASN 3 Cb 0.00 0.06 0.00 0.00 -0.55 0.00 0.00 41.25 40.76 1f55 s ASN 3 CO 0.00 -0.10 0.00 0.18 -2.79 0.00 0.00 177.10 174.39 1f55 n LEU 4 N -0.27 0.00 0.00 3.21 4.32 -1.26 -3.94 117.00 119.07 1f55 n LEU 4 Ca -0.03 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.96 1f55 n LEU 4 Cb 0.60 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.40 1f55 n LEU 4 CO 0.10 0.00 0.00 0.35 -1.22 0.00 0.00 177.39 176.62 1f55 n THR 5 N 0.00 0.00 -0.64 -5.08 -2.24 -1.26 0.18 114.28 105.24 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 0.80 0.00 -2.10 0.00 0.00 70.33 69.03 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 -0.08 -0.78 4.11 -1.97 1.13 114.58 116.98 1f55 h GLU 6 Ca 0.00 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.39 1f55 h GLU 6 Cb 0.00 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 1f55 h GLU 6 CO 0.00 0.00 -0.12 1.49 0.07 0.00 0.00 179.01 180.45 1f55 h GLU 7 N 0.00 0.23 -0.16 1.06 4.57 -0.53 -1.18 114.58 118.57 1f55 h GLU 7 Ca 0.88 -0.13 -0.12 0.00 -1.18 0.00 0.00 59.36 58.80 1f55 h GLU 7 Cb 3.57 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 32.18 1f55 h GLU 7 CO -0.01 0.69 -0.38 -0.56 -1.18 0.00 0.00 179.01 177.57 1f55 h GLN 8 N -0.22 0.54 0.35 1.92 3.07 0.15 -2.77 115.11 118.15 1f55 h GLN 8 Ca 0.01 -0.37 -0.01 0.00 0.09 0.00 0.00 58.65 58.37 1f55 h GLN 8 Cb 0.67 0.05 -0.02 0.00 0.08 0.00 0.00 27.48 28.26 1f55 h GLN 8 CO 0.03 0.98 -0.38 0.82 0.09 0.00 0.00 178.83 180.37 1f55 h ILE 9 N 0.17 0.00 -0.81 1.86 2.04 -0.55 0.39 117.51 120.61 1f55 h ILE 9 Ca -0.00 0.00 0.18 0.00 1.00 0.00 0.00 64.86 66.04 1f55 h ILE 9 Cb 0.99 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 36.92 1f55 h ILE 9 CO 0.08 0.00 -0.09 0.00 0.00 0.00 0.00 178.15 178.14 1f55 h ALA 10 N -1.10 0.72 -0.74 1.87 0.00 -1.29 0.71 119.26 119.43 1f55 h ALA 10 Ca -0.04 0.29 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1f55 h ALA 10 Cb 0.65 0.54 -0.04 0.00 0.00 0.00 0.00 17.79 18.93 1f55 h ALA 10 CO -0.06 -0.43 0.46 0.93 0.00 0.00 0.00 179.25 180.15 1f55 h GLU 11 N 0.04 1.00 -0.04 0.00 4.39 -1.09 -2.71 114.58 116.17 1f55 h GLU 11 Ca 0.43 -0.08 -0.00 0.00 0.34 0.00 0.00 59.36 60.04 1f55 h GLU 11 Cb 0.73 -0.21 -0.00 0.00 -0.10 0.00 0.00 28.75 29.16 1f55 h GLU 11 CO -0.78 0.69 0.01 0.74 -1.16 0.00 0.00 179.01 178.51 1f55 h PHE 12 N 1.01 0.07 -0.81 4.33 0.04 0.45 -2.66 116.94 119.37 1f55 h PHE 12 Ca 0.27 -0.01 0.12 0.00 2.80 0.00 0.00 57.97 61.15 1f55 h PHE 12 Cb -0.07 -0.02 -0.13 0.00 2.20 0.00 0.00 35.95 37.93 1f55 h PHE 12 CO -0.01 0.23 -0.43 0.87 -0.60 0.00 0.00 178.31 178.37 1f55 h LYS 13 N -0.12 -0.09 -0.68 1.51 1.57 0.02 1.29 116.57 120.06 1f55 h LYS 13 Ca 0.01 0.01 0.10 0.00 -1.87 0.00 0.00 60.65 58.90 1f55 h LYS 13 Cb 0.20 0.02 -0.07 0.00 0.08 0.00 0.00 32.23 32.45 1f55 h LYS 13 CO -0.00 -0.06 0.31 0.93 -0.57 0.00 0.00 179.45 180.05 1f55 h GLU 14 N -0.09 0.50 0.02 3.15 5.08 -1.39 -1.70 114.58 120.14 1f55 h GLU 14 Ca 0.25 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.58 1f55 h GLU 14 Cb 0.55 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.69 1f55 h GLU 14 CO -0.85 0.33 -0.01 0.00 -1.00 0.00 0.00 179.01 177.49 1f55 h ALA 15 N 1.44 -0.02 -0.39 3.43 0.00 0.95 -2.82 119.26 121.86 1f55 h ALA 15 Ca 0.35 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 55.19 1f55 h ALA 15 Cb 0.41 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.14 1f55 h ALA 15 CO -0.30 -0.41 -0.48 0.35 0.00 0.00 0.00 179.25 178.41 1f55 h PHE 16 N -0.23 -1.47 -0.79 0.00 3.57 0.21 0.94 116.94 119.16 1f55 h PHE 16 Ca -0.00 0.07 0.15 0.00 3.53 0.00 0.00 57.97 61.73 1f55 h PHE 16 Cb 0.22 0.69 -0.15 0.00 2.79 0.00 0.00 35.95 39.50 1f55 h PHE 16 CO -0.00 -0.41 -0.22 0.00 -2.23 0.00 0.00 178.31 175.44 1f55 h ALA 17 N -0.19 0.46 -0.95 2.41 0.00 -1.33 0.93 119.26 120.59 1f55 h ALA 17 Ca 0.07 0.30 0.25 0.00 0.00 0.00 0.00 54.91 55.52 1f55 h ALA 17 Cb 0.49 0.65 -0.13 0.00 0.00 0.00 0.00 17.79 18.80 1f55 h ALA 17 CO -0.53 -0.44 0.48 1.25 0.00 0.00 0.00 179.25 180.00 1f55 h LEU 18 N -0.02 0.45 -0.04 0.00 5.85 -0.57 1.83 115.31 122.81 1f55 h LEU 18 Ca 0.37 0.16 -0.02 0.00 0.84 0.00 0.00 57.88 59.22 1f55 h LEU 18 Cb 0.58 0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.72 1f55 h LEU 18 CO -0.82 0.00 -0.07 -0.26 -0.34 0.00 0.00 178.44 176.95 1f55 h PHE 19 N 0.43 0.15 -0.05 1.25 0.04 0.15 -3.15 116.94 115.76 1f55 h PHE 19 Ca 0.62 -0.05 -0.07 0.00 2.80 0.00 0.00 57.97 61.27 1f55 h PHE 19 Cb 1.22 -0.03 -0.01 0.00 2.20 0.00 0.00 35.95 39.33 1f55 h PHE 19 CO -0.08 0.65 -0.29 0.22 -0.60 0.00 0.00 178.31 178.21 1f55 h ASP 20 N -0.40 0.08 0.00 2.17 3.58 0.81 -2.22 116.42 120.44 1f55 h ASP 20 Ca 0.00 -0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.43 1f55 h ASP 20 Cb 0.64 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.67 1f55 h ASP 20 CO 0.02 0.38 0.00 0.29 -2.88 0.00 0.00 179.24 177.04 1f55 n LYS 21 N -4.17 0.00 0.15 0.28 4.76 0.60 -4.12 118.16 115.66 1f55 n LYS 21 Ca -0.02 0.00 0.12 0.00 -2.87 0.00 0.00 58.31 55.54 1f55 n LYS 21 Cb 0.36 0.00 0.53 0.00 -1.84 0.00 0.00 35.03 34.07 1f55 n LYS 21 CO 0.00 0.00 0.00 -0.44 -1.37 0.00 0.00 177.40 175.59 1f55 h ASP 22 N 0.00 0.00 -0.12 4.39 3.32 -1.88 -3.45 116.42 118.68 1f55 h ASP 22 Ca 0.00 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.00 1f55 h ASP 22 Cb 0.00 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 1f55 h ASP 22 CO 0.00 0.00 -0.05 0.59 -1.72 0.00 0.00 179.24 178.06 1f55 n ASN 23 N -2.30 -5.51 0.00 6.45 5.03 -1.26 -4.78 115.26 112.89 1f55 n ASN 23 Ca 0.01 0.06 0.06 0.00 0.87 0.00 0.00 54.58 55.58 1f55 n ASN 23 Cb 0.20 -3.23 0.30 0.00 -1.02 0.00 0.00 39.78 36.03 1f55 n ASN 23 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 1f55 n ASN 24 N -0.86 0.00 0.00 6.41 5.03 -1.26 -4.77 115.26 119.81 1f55 n ASN 24 Ca -0.02 0.01 0.00 0.00 0.87 0.00 0.00 54.58 55.44 1f55 n ASN 24 Cb 0.45 -0.22 0.00 0.00 -1.02 0.00 0.00 39.78 38.99 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 -0.29 0.66 3.12 7.41 0.00 -1.26 -5.05 105.19 109.77 1f55 n GLY 25 Ca 0.06 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.94 1.52 -0.04 1.61 0.15 -1.26 -3.67 113.70 109.07 1f55 s SER 26 Ca 0.00 -0.39 0.04 0.00 0.70 0.00 0.00 55.95 56.31 1f55 s SER 26 Cb 0.00 -0.11 -0.02 0.00 -1.71 0.00 0.00 66.02 64.17 1f55 s SER 26 CO 0.00 0.05 -0.17 -0.63 1.20 0.00 0.00 173.24 173.70 1f55 s ILE 27 N -0.71 2.87 0.00 6.45 1.01 0.65 -4.60 121.20 126.87 1f55 s ILE 27 Ca 0.02 -0.80 0.00 0.00 0.00 0.00 0.00 60.65 59.87 1f55 s ILE 27 Cb -0.07 -2.10 0.00 0.00 0.01 0.00 0.00 42.46 40.30 1f55 s ILE 27 CO 0.01 0.59 0.00 -0.24 0.00 0.00 0.00 174.94 175.30 1f55 n SER 28 N 2.33 1.92 0.08 3.58 2.88 -1.26 -1.45 113.62 121.69 1f55 n SER 28 Ca -0.17 -0.40 -0.15 0.00 -1.33 0.00 0.00 58.87 56.82 1f55 n SER 28 Cb 0.52 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.91 1f55 n SER 28 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1f55 h SER 29 N 0.00 0.57 0.93 -3.46 0.02 -1.91 -2.71 113.55 106.99 1f55 h SER 29 Ca 0.00 -0.49 -0.18 0.00 -0.84 0.00 0.00 61.79 60.28 1f55 h SER 29 Cb 0.00 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 62.34 1f55 h SER 29 CO 0.00 1.31 -0.84 -1.28 -1.14 0.00 0.00 176.83 174.88 1f55 h SER 30 N 0.22 0.00 -0.05 3.07 0.87 -1.96 -2.63 113.55 113.07 1f55 h SER 30 Ca -0.10 0.00 -0.08 0.00 -1.23 0.00 0.00 61.79 60.38 1f55 h SER 30 Cb 1.69 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.65 1f55 h SER 30 CO 0.18 0.84 -0.27 -0.33 -0.53 0.00 0.00 176.83 176.72 1f55 h GLU 31 N 0.00 0.27 -0.47 2.24 5.08 -1.76 -2.42 114.58 117.52 1f55 h GLU 31 Ca -0.01 -0.23 -0.07 0.00 -1.00 0.00 0.00 59.36 58.05 1f55 h GLU 31 Cb 1.53 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.81 1f55 h GLU 31 CO 0.11 0.88 0.01 -0.07 -1.00 0.00 0.00 179.01 178.94 1f55 h LEU 32 N -0.26 0.81 -1.18 1.33 3.38 -1.06 -2.86 115.31 115.47 1f55 h LEU 32 Ca -0.02 -0.30 -0.03 0.00 0.09 0.00 0.00 57.88 57.62 1f55 h LEU 32 Cb 0.93 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.44 1f55 h LEU 32 CO 0.06 0.91 0.23 0.00 0.09 0.00 0.00 178.44 179.72 1f55 h ALA 33 N 0.93 1.35 -0.31 1.53 0.00 -1.53 -1.73 119.26 119.50 1f55 h ALA 33 Ca 0.14 -0.14 0.09 0.00 0.00 0.00 0.00 54.91 54.99 1f55 h ALA 33 Cb 0.49 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1f55 h ALA 33 CO 0.02 0.49 0.31 1.15 0.00 0.00 0.00 179.25 181.22 1f55 h THR 34 N 0.79 0.49 -0.01 0.00 2.02 -1.19 1.44 112.91 116.45 1f55 h THR 34 Ca 0.19 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.37 1f55 h THR 34 Cb 0.15 0.76 0.00 0.00 -1.74 0.00 0.00 68.15 67.32 1f55 h THR 34 CO -0.02 0.00 -0.10 0.52 0.37 0.00 0.00 175.52 176.29 1f55 n VAL 35 N -3.87 0.00 0.10 3.16 0.31 -0.65 -3.63 118.33 113.75 1f55 n VAL 35 Ca 0.05 -0.14 0.00 0.00 -0.01 0.00 0.00 64.34 64.23 1f55 n VAL 35 Cb 0.47 0.23 0.00 0.00 -0.91 0.00 0.00 33.84 33.63 1f55 n VAL 35 CO 0.00 0.00 0.00 0.23 -1.32 0.00 0.00 176.83 175.74 1f55 n MET 36 N -0.45 0.00 -0.31 5.55 2.00 0.19 -4.44 117.12 119.66 1f55 n MET 36 Ca 0.16 0.00 0.13 0.00 0.00 0.00 0.00 57.70 58.00 1f55 n MET 36 Cb 0.31 0.00 0.29 0.00 0.00 0.00 0.00 33.22 33.82 1f55 n MET 36 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 175.97 175.88 1f55 h ARG 37 N 0.00 0.13 0.00 0.03 2.43 0.17 1.92 114.38 119.07 1f55 h ARG 37 Ca 0.00 -0.01 -0.22 0.00 -0.81 0.00 0.00 59.98 58.94 1f55 h ARG 37 Cb 0.00 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 29.48 1f55 h ARG 37 CO 0.00 0.09 -1.83 0.45 -1.51 0.00 0.00 179.97 177.16 1f55 n SER 38 N -5.31 0.47 -2.19 -3.80 2.88 -1.13 -3.88 113.62 100.66 1f55 n SER 38 Ca 0.22 0.21 -0.27 0.00 -1.33 0.00 0.00 58.87 57.70 1f55 n SER 38 Cb 0.71 0.66 0.03 0.00 -0.75 0.00 0.00 64.21 64.86 1f55 n SER 38 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 1f55 n LEU 39 N -2.77 5.46 0.00 2.46 0.00 -0.15 -4.91 117.00 117.09 1f55 n LEU 39 Ca -0.17 -4.77 0.00 0.00 0.00 0.00 0.00 56.01 51.08 1f55 n LEU 39 Cb 0.92 -0.50 0.00 0.00 0.00 0.00 0.00 43.42 43.85 1f55 n LEU 39 CO 0.44 2.02 0.00 0.61 0.00 0.00 0.00 177.39 180.45 1f55 n GLY 40 N -0.69 1.25 1.29 -3.96 0.00 0.64 -4.43 105.19 99.27 1f55 n GLY 40 Ca 0.47 0.23 0.15 0.00 0.00 0.00 0.00 46.02 46.86 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 0.00 -0.84 -3.58 0.99 7.94 -1.23 -3.37 117.00 116.90 1f55 n LEU 41 Ca 0.00 1.95 -0.28 0.00 -1.11 0.00 0.00 56.01 56.57 1f55 n LEU 41 Cb 0.00 -3.05 -0.12 0.00 0.53 0.00 0.00 43.42 40.78 1f55 n LEU 41 CO 0.00 -1.89 -0.25 -0.55 -1.11 0.00 0.00 177.39 173.59 1f55 s SER 42 N -6.81 2.91 0.00 1.96 0.15 -1.25 -2.97 113.70 107.69 1f55 s SER 42 Ca 0.00 -2.92 0.00 0.00 0.70 0.00 0.00 55.95 53.73 1f55 s SER 42 Cb 0.00 -0.80 0.00 0.00 -1.71 0.00 0.00 66.02 63.51 1f55 s SER 42 CO 0.00 -0.21 0.00 -0.81 1.20 0.00 0.00 173.24 173.42 1f55 n PRO 43 N 3.11 1.10 -4.27 5.44 -0.04 -1.26 -5.04 135.00 134.04 1f55 n PRO 43 Ca 0.19 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.50 1f55 n PRO 43 Cb 0.40 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.76 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 -1.25 1.24 0.23 3.54 0.01 -1.26 -4.95 113.70 111.26 1f55 s SER 44 Ca 0.00 -1.25 -0.01 0.00 1.31 0.00 0.00 55.95 56.00 1f55 s SER 44 Cb 0.00 0.13 0.50 0.00 0.21 0.00 0.00 66.02 66.85 1f55 s SER 44 CO 0.00 -0.62 1.20 -1.84 0.41 0.00 0.00 173.24 172.39 1f55 n GLU 45 N -0.33 -0.06 -0.26 12.44 0.28 -1.26 0.42 120.64 131.87 1f55 n GLU 45 Ca -0.04 1.17 -0.06 0.00 -0.16 0.00 0.00 57.16 58.06 1f55 n GLU 45 Cb 0.64 -1.81 -0.01 0.00 1.43 0.00 0.00 31.44 31.69 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 1.53 -0.17 0.07 -1.84 0.00 -1.97 1.08 119.26 117.96 1f55 h ALA 46 Ca 0.43 0.16 -0.28 0.00 0.00 0.00 0.00 54.91 55.22 1f55 h ALA 46 Cb 0.81 0.96 0.02 0.00 0.00 0.00 0.00 17.79 19.58 1f55 h ALA 46 CO -0.75 -0.76 -1.14 0.93 0.00 0.00 0.00 179.25 177.53 1f55 h GLU 47 N -0.15 0.58 0.24 0.00 4.39 -0.42 -2.24 114.58 116.97 1f55 h GLU 47 Ca 0.23 -0.72 -0.01 0.00 0.34 0.00 0.00 59.36 59.20 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 -0.77 1.31 -0.11 0.28 -1.16 0.00 0.00 179.01 178.55 1f55 h VAL 48 N 0.28 0.00 -1.00 3.13 2.07 0.75 -0.74 116.25 120.73 1f55 h VAL 48 Ca -0.15 -0.01 0.18 0.00 0.82 0.00 0.00 66.70 67.54 1f55 h VAL 48 Cb 1.81 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 31.48 1f55 h VAL 48 CO 0.21 0.00 0.62 -1.13 0.02 0.00 0.00 177.57 177.29 1f55 h ASN 49 N -0.33 0.80 -0.98 0.57 -0.73 0.99 0.15 115.58 116.05 1f55 h ASN 49 Ca -0.03 0.09 0.05 0.00 1.87 0.00 0.00 56.30 58.27 1f55 h ASN 49 Cb 0.24 -0.06 -0.06 0.00 0.27 0.00 0.00 38.32 38.71 1f55 h ASN 49 CO 0.05 0.31 0.64 0.44 -0.37 0.00 0.00 177.43 178.50 1f55 h ASP 50 N 0.79 1.04 0.48 1.15 5.19 -1.24 -1.84 116.42 121.99 1f55 h ASP 50 Ca 0.56 -0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.95 1f55 h ASP 50 Cb 0.84 -0.23 0.00 0.00 0.18 0.00 0.00 39.33 40.13 1f55 h ASP 50 CO -0.35 0.69 -0.23 0.25 -3.12 0.00 0.00 179.24 176.47 1f55 h LEU 51 N 1.19 -0.55 -0.55 1.55 5.85 0.85 0.34 115.31 123.99 1f55 h LEU 51 Ca 0.41 -0.03 0.11 0.00 0.84 0.00 0.00 57.88 59.21 1f55 h LEU 51 Cb 0.09 0.14 -0.09 0.00 0.37 0.00 0.00 40.66 41.17 1f55 h LEU 51 CO -0.14 -0.33 -0.00 -0.03 -0.34 0.00 0.00 178.44 177.60 1f55 h MET 52 N -0.74 0.11 -0.00 1.25 1.85 -1.16 -1.82 114.93 114.42 1f55 h MET 52 Ca -0.07 -0.01 -0.00 0.00 -0.61 0.00 0.00 59.70 59.02 1f55 h MET 52 Cb 0.54 -0.03 -0.00 0.00 0.43 0.00 0.00 31.60 32.55 1f55 h MET 52 CO 0.11 0.07 0.00 -0.97 -0.40 0.00 0.00 176.91 175.72 1f55 h ASN 53 N 0.12 0.01 -0.96 1.39 -0.73 -1.17 0.37 115.58 114.60 1f55 h ASN 53 Ca 0.28 -0.25 0.31 0.00 1.87 0.00 0.00 56.30 58.50 1f55 h ASN 53 Cb 0.44 -0.00 -0.16 0.00 0.27 0.00 0.00 38.32 38.87 1f55 h ASN 53 CO -0.47 0.26 0.34 -0.33 -0.37 0.00 0.00 177.43 176.86 1f55 h GLU 54 N -0.25 0.14 0.00 6.67 4.39 0.50 0.96 114.58 127.00 1f55 h GLU 54 Ca 0.00 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.69 1f55 h GLU 54 Cb 0.26 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.87 1f55 h GLU 54 CO 0.00 0.09 -0.83 -0.89 -1.16 0.00 0.00 179.01 176.22 1f55 n ILE 55 N -5.25 0.10 -0.81 3.13 5.41 -0.86 -4.93 119.36 116.15 1f55 n ILE 55 Ca 0.28 -0.13 -0.29 0.00 1.00 0.00 0.00 62.75 63.61 1f55 n ILE 55 Cb 0.91 0.33 0.20 0.00 -0.71 0.00 0.00 39.64 40.37 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 -3.49 2.08 0.00 4.38 2.15 0.33 -4.51 116.67 117.60 1f55 s ASP 56 Ca 0.07 1.57 0.00 0.00 0.43 0.00 0.00 52.55 54.62 1f55 s ASP 56 Cb 0.16 -2.25 0.00 0.00 -0.30 0.00 0.00 42.92 40.53 1f55 s ASP 56 CO 0.78 -3.53 0.00 1.33 -0.17 0.00 0.00 175.17 173.58 1f55 n VAL 57 N -4.47 0.00 0.88 1.11 0.24 -1.26 -4.81 118.33 110.01 1f55 n VAL 57 Ca 0.06 0.00 0.10 0.00 -2.04 0.00 0.00 64.34 62.46 1f55 n VAL 57 Cb 0.55 -0.27 -0.11 0.00 -1.47 0.00 0.00 33.84 32.53 1f55 n VAL 57 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 1f55 n ASP 58 N -1.42 0.87 -2.03 -1.34 5.75 -1.26 -5.02 116.55 112.09 1f55 n ASP 58 Ca 0.00 -0.85 -0.01 0.00 -0.01 0.00 0.00 54.79 53.92 1f55 n ASP 58 Cb 0.18 1.10 0.00 0.00 -1.03 0.00 0.00 41.12 41.36 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 1.47 -0.75 0.77 6.12 0.00 -1.26 -5.00 105.19 106.53 1f55 n GLY 59 Ca 0.03 0.18 0.04 0.00 0.00 0.00 0.00 46.02 46.27 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 -0.92 0.92 0.00 1.61 6.94 -1.26 -4.95 115.26 117.59 1f55 n ASN 60 Ca 0.02 -2.42 0.00 0.00 -0.02 0.00 0.00 54.58 52.16 1f55 n ASN 60 Cb 0.36 -0.31 0.00 0.00 -2.36 0.00 0.00 39.78 37.47 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 -0.21 0.00 -3.56 -2.53 8.25 -1.26 -4.92 115.22 110.98 1f55 n HIS 61 Ca 0.07 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.41 1f55 n HIS 61 Cb 0.83 -0.94 -0.04 0.00 1.12 0.00 0.00 29.99 30.96 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 -0.78 1.11 0.07 -0.41 -0.21 -1.26 -4.13 119.66 114.06 1f55 s GLN 62 Ca 0.00 -0.52 0.04 0.00 0.02 0.00 0.00 55.36 54.90 1f55 s GLN 62 Cb 0.00 0.50 -0.03 0.00 1.00 0.00 0.00 33.01 34.48 1f55 s GLN 62 CO 0.00 -0.44 -0.11 0.96 -2.12 0.00 0.00 175.29 173.57 1f55 s ILE 63 N -3.44 0.92 0.28 1.08 -5.25 -0.53 -4.79 121.20 109.48 1f55 s ILE 63 Ca 0.00 -1.34 0.01 0.00 -0.99 0.00 0.00 60.65 58.33 1f55 s ILE 63 Cb 0.00 -1.03 0.06 0.00 2.95 0.00 0.00 42.46 44.44 1f55 s ILE 63 CO -0.10 -0.36 0.39 -0.62 -1.79 0.00 0.00 174.94 172.47 1f55 n GLU 64 N 1.13 0.42 0.00 0.37 1.02 -1.26 -0.25 120.64 122.06 1f55 n GLU 64 Ca -0.20 -1.14 0.00 0.00 -0.02 0.00 0.00 57.16 55.80 1f55 n GLU 64 Cb 0.55 -0.24 0.00 0.00 -0.02 0.00 0.00 31.44 31.73 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 -1.89 0.00 -0.29 -0.32 7.35 -1.24 -2.06 117.46 119.01 1f55 n PHE 65 Ca 0.07 0.00 0.27 0.00 -0.76 0.00 0.00 57.45 57.02 1f55 n PHE 65 Cb 0.24 -0.48 0.47 0.00 0.35 0.00 0.00 39.48 40.07 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 -1.93 0.23 -0.10 -2.13 2.88 -1.26 0.27 113.62 111.58 1f55 n SER 66 Ca 0.00 1.18 -0.12 0.00 -1.33 0.00 0.00 58.87 58.61 1f55 n SER 66 Cb 0.00 -0.58 -0.04 0.00 -0.75 0.00 0.00 64.21 62.84 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 0.57 -0.79 -1.46 5.08 -1.87 -2.34 114.58 113.78 1f55 h GLU 67 Ca 0.65 -0.23 0.14 0.00 -1.00 0.00 0.00 59.36 58.92 1f55 h GLU 67 Cb 1.88 -0.03 -0.06 0.00 0.50 0.00 0.00 28.75 31.05 1f55 h GLU 67 CO -0.50 0.78 0.52 0.35 -1.00 0.00 0.00 179.01 179.17 1f55 h PHE 68 N 0.33 0.62 -0.29 4.33 3.57 0.44 0.11 116.94 126.05 1f55 h PHE 68 Ca 0.07 0.02 -0.14 0.00 3.53 0.00 0.00 57.97 61.45 1f55 h PHE 68 Cb 0.59 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 39.12 1f55 h PHE 68 CO 0.05 0.24 -0.38 -0.07 -2.23 0.00 0.00 178.31 175.93 1f55 h LEU 69 N 0.53 0.70 -0.12 0.59 -0.00 -0.96 0.41 115.31 116.47 1f55 h LEU 69 Ca 0.39 -0.31 0.02 0.00 -0.00 0.00 0.00 57.88 57.99 1f55 h LEU 69 Cb 0.75 -0.20 -0.02 0.00 -0.00 0.00 0.00 40.66 41.19 1f55 h LEU 69 CO -0.14 1.00 -0.03 0.00 -0.00 0.00 0.00 178.44 179.27 1f55 h ALA 70 N 1.03 0.08 0.00 1.53 0.00 -0.26 -0.11 119.26 121.53 1f55 h ALA 70 Ca 0.05 0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.90 1f55 h ALA 70 Cb 0.90 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 1f55 h ALA 70 CO 0.08 -0.49 -0.87 1.25 0.00 0.00 0.00 179.25 179.22 1f55 h LEU 71 N -0.00 0.00 0.00 0.00 5.85 -1.45 -3.40 115.31 116.30 1f55 h LEU 71 Ca 0.06 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.78 1f55 h LEU 71 Cb 0.10 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.13 1f55 h LEU 71 CO -0.13 0.44 0.00 0.80 -0.34 0.00 0.00 178.44 179.21 1f55 n MET 72 N -3.03 0.00 -1.53 1.25 1.56 0.14 -4.22 117.12 111.30 1f55 n MET 72 Ca -0.02 0.26 -0.56 0.00 -0.27 0.00 0.00 57.70 57.11 1f55 n MET 72 Cb 0.74 -0.84 -0.08 0.00 2.15 0.00 0.00 33.22 35.18 1f55 n MET 72 CO 0.00 0.00 0.00 0.45 -0.73 0.00 0.00 175.97 175.69 1f55 n SER 73 N -1.29 1.90 -2.79 6.12 2.88 -0.08 -3.33 113.62 117.03 1f55 n SER 73 Ca 0.00 0.77 -0.02 0.00 -1.33 0.00 0.00 58.87 58.30 1f55 n SER 73 Cb 0.00 -1.12 -0.01 0.00 -0.75 0.00 0.00 64.21 62.33 1f55 n SER 73 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 1f55 n ARG 74 N 6.71 -3.16 -0.26 -1.46 0.63 -1.26 -4.84 116.66 113.02 1f55 n ARG 74 Ca 0.38 2.56 0.00 0.00 -0.92 0.00 0.00 57.85 59.86 1f55 n ARG 74 Cb 0.12 -4.20 0.00 0.00 0.45 0.00 0.00 32.46 28.83 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 1.28 2.58 0.00 -0.14 7.27 -1.21 -4.87 117.38 122.28 1f55 n GLN 75 Ca -0.13 0.00 0.00 0.00 0.07 0.00 0.00 57.00 56.94 1f55 n GLN 75 Cb 0.28 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.93 1f55 n GLN 75 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 1f55 n LEU 76 N 0.00 0.00 -0.40 1.69 7.99 -1.26 -5.14 117.00 119.88 1f55 n LEU 76 Ca 0.00 0.00 0.05 0.00 -0.01 0.00 0.00 56.01 56.05 1f55 n LEU 76 Cb 0.00 0.00 0.04 0.00 -0.11 0.00 0.00 43.42 43.35 1f55 n LEU 76 CO 0.00 -0.07 0.41 0.29 -1.51 0.00 0.00 177.39 176.51