#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 3.18 -3.77 4.04 2.88 -1.26 -4.63 113.62 114.06 1f55 n SER 2 Ca 0.00 -2.20 -0.28 0.00 -1.33 0.00 0.00 58.87 55.05 1f55 n SER 2 Cb 0.00 -0.88 -0.12 0.00 -0.75 0.00 0.00 64.21 62.46 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 3.96 3.88 0.00 -3.46 0.01 -1.26 -5.06 114.94 113.01 1f55 s ASN 3 Ca 0.25 -3.36 0.00 0.00 -0.71 0.00 0.00 52.86 49.04 1f55 s ASN 3 Cb 0.07 -1.29 0.00 0.00 0.41 0.00 0.00 41.25 40.43 1f55 s ASN 3 CO -0.02 -0.15 0.00 0.18 -1.51 0.00 0.00 177.10 175.59 1f55 n LEU 4 N 2.58 0.00 0.00 0.60 4.77 -1.26 -3.90 117.00 119.79 1f55 n LEU 4 Ca 0.18 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.16 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 0.24 0.00 0.00 0.35 -1.33 0.00 0.00 177.39 176.65 1f55 n THR 5 N 0.00 0.00 -0.64 -5.08 -2.24 -1.26 -0.09 114.28 104.97 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 0.79 0.00 -2.10 0.00 0.00 70.33 69.02 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 0.01 -0.08 -0.78 4.11 -1.97 1.14 114.58 117.00 1f55 h GLU 6 Ca 0.00 -0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.40 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 -0.05 1.49 0.07 0.00 0.00 179.01 180.53 1f55 h GLU 7 N 0.01 0.17 -0.12 1.06 4.81 -0.76 -0.39 114.58 119.37 1f55 h GLU 7 Ca 0.90 -0.08 -0.07 0.00 -0.13 0.00 0.00 59.36 59.99 1f55 h GLU 7 Cb 3.50 -0.00 -0.00 0.00 0.63 0.00 0.00 28.75 32.88 1f55 h GLU 7 CO -0.09 0.55 -0.19 -0.56 -0.73 0.00 0.00 179.01 177.99 1f55 h GLN 8 N -0.21 0.35 0.19 1.92 3.07 0.15 -2.76 115.11 117.81 1f55 h GLN 8 Ca 0.02 -0.21 -0.00 0.00 0.09 0.00 0.00 58.65 58.55 1f55 h GLN 8 Cb 0.50 0.02 -0.02 0.00 0.08 0.00 0.00 27.48 28.06 1f55 h GLN 8 CO 0.01 0.79 -0.30 0.82 0.09 0.00 0.00 178.83 180.24 1f55 h ILE 9 N -0.07 0.00 -0.85 1.86 2.04 -0.51 0.42 117.51 120.41 1f55 h ILE 9 Ca 0.01 0.00 0.17 0.00 1.00 0.00 0.00 64.86 66.05 1f55 h ILE 9 Cb 0.76 0.00 -0.16 0.00 -0.74 0.00 0.00 36.82 36.68 1f55 h ILE 9 CO 0.04 0.00 -0.19 0.00 0.00 0.00 0.00 178.15 178.01 1f55 h ALA 10 N -1.13 0.60 -0.92 1.87 0.00 -1.15 0.93 119.26 119.46 1f55 h ALA 10 Ca -0.02 0.33 -0.00 0.00 0.00 0.00 0.00 54.91 55.21 1f55 h ALA 10 Cb 0.47 0.63 -0.04 0.00 0.00 0.00 0.00 17.79 18.84 1f55 h ALA 10 CO -0.10 -0.41 0.56 1.49 0.00 0.00 0.00 179.25 180.79 1f55 h GLU 11 N 0.01 1.25 0.09 0.00 4.81 -1.08 -2.82 114.58 116.84 1f55 h GLU 11 Ca 0.42 -0.11 -0.00 0.00 -0.13 0.00 0.00 59.36 59.53 1f55 h GLU 11 Cb 0.66 -0.26 0.00 0.00 0.63 0.00 0.00 28.75 29.77 1f55 h GLU 11 CO -0.86 0.87 -0.04 0.74 -0.73 0.00 0.00 179.01 178.99 1f55 h PHE 12 N 1.27 -0.11 -0.92 0.92 0.04 0.52 -2.70 116.94 115.96 1f55 h PHE 12 Ca 0.33 -0.00 0.14 0.00 2.80 0.00 0.00 57.97 61.24 1f55 h PHE 12 Cb -0.06 0.04 -0.15 0.00 2.20 0.00 0.00 35.95 37.98 1f55 h PHE 12 CO 0.00 0.21 -0.38 0.87 -0.60 0.00 0.00 178.31 178.41 1f55 h LYS 13 N -0.43 -0.03 -0.50 1.51 1.57 0.08 1.45 116.57 120.22 1f55 h LYS 13 Ca -0.01 0.00 0.06 0.00 -1.87 0.00 0.00 60.65 58.83 1f55 h LYS 13 Cb 0.37 0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.63 1f55 h LYS 13 CO 0.02 -0.02 0.19 1.49 -0.57 0.00 0.00 179.45 180.56 1f55 h GLU 14 N -0.03 0.37 -0.26 3.15 4.81 -1.46 -1.73 114.58 119.43 1f55 h GLU 14 Ca 0.33 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.52 1f55 h GLU 14 Cb 0.59 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.87 1f55 h GLU 14 CO -0.93 0.24 0.12 0.00 -0.73 0.00 0.00 179.01 177.72 1f55 h ALA 15 N 1.32 0.33 -0.34 2.92 0.00 0.12 -2.83 119.26 120.79 1f55 h ALA 15 Ca 0.23 -0.09 0.04 0.00 0.00 0.00 0.00 54.91 55.09 1f55 h ALA 15 Cb 0.23 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 17.85 1f55 h ALA 15 CO -0.23 -0.10 -0.49 0.35 0.00 0.00 0.00 179.25 178.78 1f55 h PHE 16 N 0.28 -1.49 -0.78 0.00 3.57 0.24 0.12 116.94 118.87 1f55 h PHE 16 Ca 0.09 0.07 0.17 0.00 3.53 0.00 0.00 57.97 61.83 1f55 h PHE 16 Cb 0.12 0.69 -0.15 0.00 2.79 0.00 0.00 35.95 39.41 1f55 h PHE 16 CO -0.02 -0.44 -0.13 0.00 -2.23 0.00 0.00 178.31 175.49 1f55 h ALA 17 N -0.23 0.62 -0.93 2.41 0.00 -1.30 0.84 119.26 120.67 1f55 h ALA 17 Ca 0.06 0.29 0.25 0.00 0.00 0.00 0.00 54.91 55.51 1f55 h ALA 17 Cb 0.53 0.55 -0.14 0.00 0.00 0.00 0.00 17.79 18.73 1f55 h ALA 17 CO -0.51 -0.42 0.40 1.25 0.00 0.00 0.00 179.25 179.97 1f55 h LEU 18 N 0.02 0.30 -0.12 0.00 5.85 -0.53 0.78 115.31 121.61 1f55 h LEU 18 Ca 0.40 0.18 -0.24 0.00 0.84 0.00 0.00 57.88 59.06 1f55 h LEU 18 Cb 0.65 0.17 0.01 0.00 0.37 0.00 0.00 40.66 41.86 1f55 h LEU 18 CO -0.78 -0.08 -0.90 -0.26 -0.34 0.00 0.00 178.44 176.09 1f55 h PHE 19 N 0.33 0.96 0.00 1.25 0.04 0.12 -3.11 116.94 116.53 1f55 h PHE 19 Ca 0.61 -0.47 -0.06 0.00 2.80 0.00 0.00 57.97 60.85 1f55 h PHE 19 Cb 1.25 -0.13 -0.01 0.00 2.20 0.00 0.00 35.95 39.27 1f55 h PHE 19 CO -0.13 1.30 -0.28 0.22 -0.60 0.00 0.00 178.31 178.82 1f55 h ASP 20 N 0.42 0.00 -0.51 2.17 1.82 0.18 -2.36 116.42 118.14 1f55 h ASP 20 Ca -0.08 0.00 -0.22 0.00 -0.39 0.00 0.00 57.03 56.34 1f55 h ASP 20 Cb 1.53 0.00 -0.09 0.00 0.68 0.00 0.00 39.33 41.46 1f55 h ASP 20 CO 0.18 0.28 -0.20 0.29 -1.61 0.00 0.00 179.24 178.17 1f55 n LYS 21 N -4.01 -1.01 -0.39 0.28 4.76 0.23 -4.65 118.16 113.37 1f55 n LYS 21 Ca -0.02 0.84 -0.00 0.00 -2.87 0.00 0.00 58.31 56.26 1f55 n LYS 21 Cb 0.34 -4.89 -0.00 0.00 -1.84 0.00 0.00 35.03 28.64 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 -0.28 -0.07 -2.05 4.39 5.68 -1.26 -4.97 116.55 118.01 1f55 n ASP 22 Ca -0.11 -0.17 0.00 0.00 -0.50 0.00 0.00 54.79 54.02 1f55 n ASP 22 Cb 0.42 0.02 0.00 0.00 -1.14 0.00 0.00 41.12 40.42 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 -0.76 0.00 -1.12 3.02 -1.26 -4.65 115.26 110.49 1f55 n ASN 23 Ca -0.02 0.38 0.09 0.00 -0.03 0.00 0.00 54.58 55.00 1f55 n ASN 23 Cb 0.21 -0.80 0.55 0.00 -0.61 0.00 0.00 39.78 39.14 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 -1.06 0.00 -0.47 6.41 4.05 -1.26 -4.81 115.26 118.12 1f55 n ASN 24 Ca 0.00 -0.80 -0.06 0.00 0.45 0.00 0.00 54.58 54.17 1f55 n ASN 24 Cb 0.38 0.00 -0.03 0.00 1.23 0.00 0.00 39.78 41.36 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 0.35 0.84 3.48 8.20 0.00 -1.26 -4.98 105.19 111.82 1f55 n GLY 25 Ca 0.14 -0.56 -0.13 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.73 -0.62 0.00 1.61 0.15 -1.26 -4.12 113.70 106.73 1f55 s SER 26 Ca 0.00 1.17 0.07 0.00 0.70 0.00 0.00 55.95 57.89 1f55 s SER 26 Cb 0.00 1.17 -0.03 0.00 -1.71 0.00 0.00 66.02 65.46 1f55 s SER 26 CO 0.00 -0.20 -0.20 -0.63 1.20 0.00 0.00 173.24 173.41 1f55 s ILE 27 N 0.43 2.62 0.00 6.45 1.01 0.46 -4.60 121.20 127.57 1f55 s ILE 27 Ca -0.01 -1.06 0.00 0.00 0.00 0.00 0.00 60.65 59.58 1f55 s ILE 27 Cb -0.04 -2.03 0.00 0.00 0.01 0.00 0.00 42.46 40.40 1f55 s ILE 27 CO -0.01 0.47 0.00 -1.20 0.00 0.00 0.00 174.94 174.20 1f55 n SER 28 N 2.00 1.11 0.10 3.58 7.64 -1.26 -0.58 113.62 126.20 1f55 n SER 28 Ca -0.16 0.00 -0.17 0.00 1.01 0.00 0.00 58.87 59.54 1f55 n SER 28 Cb 0.52 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.61 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 0.60 1.16 6.43 0.02 -1.89 -2.72 113.55 117.14 1f55 h SER 29 Ca 0.00 -0.57 -0.10 0.00 -0.84 0.00 0.00 61.79 60.28 1f55 h SER 29 Cb 0.00 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.34 1f55 h SER 29 CO 0.00 1.41 -0.47 0.28 -1.14 0.00 0.00 176.83 176.91 1f55 h SER 30 N 0.17 0.00 0.05 3.07 0.02 -1.96 -2.36 113.55 112.54 1f55 h SER 30 Ca -0.14 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.80 1f55 h SER 30 Cb 1.87 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.41 1f55 h SER 30 CO 0.21 0.47 -0.02 -0.33 -1.14 0.00 0.00 176.83 176.02 1f55 h GLU 31 N 0.00 -0.06 -0.43 3.45 5.08 -1.77 -2.69 114.58 118.16 1f55 h GLU 31 Ca -0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 1f55 h GLU 31 Cb 1.18 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.42 1f55 h GLU 31 CO 0.06 0.29 0.20 -0.07 -1.00 0.00 0.00 179.01 178.49 1f55 h LEU 32 N -0.99 0.53 0.24 1.33 3.38 -1.09 -2.90 115.31 115.81 1f55 h LEU 32 Ca -0.01 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 1f55 h LEU 32 Cb 0.38 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.00 1f55 h LEU 32 CO 0.01 0.46 -0.11 0.00 0.09 0.00 0.00 178.44 178.88 1f55 h ALA 33 N 1.63 -0.32 -0.34 1.53 0.00 -1.53 -2.51 119.26 117.73 1f55 h ALA 33 Ca 0.15 -0.16 0.10 0.00 0.00 0.00 0.00 54.91 54.99 1f55 h ALA 33 Cb 0.07 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1f55 h ALA 33 CO -0.02 -0.54 0.66 1.79 0.00 0.00 0.00 179.25 181.14 1f55 h THR 34 N -0.60 0.12 0.87 0.00 1.35 -1.27 0.86 112.91 114.24 1f55 h THR 34 Ca -0.03 0.00 -0.04 0.00 -0.55 0.00 0.00 66.41 65.79 1f55 h THR 34 Cb 0.43 0.42 0.00 0.00 -1.73 0.00 0.00 68.15 67.27 1f55 h THR 34 CO 0.05 0.00 -0.46 0.58 -0.25 0.00 0.00 175.52 175.45 1f55 h VAL 35 N 0.00 0.00 0.00 6.82 2.07 -1.37 -2.98 116.25 120.78 1f55 h VAL 35 Ca 0.16 0.00 -0.29 0.00 0.82 0.00 0.00 66.70 67.39 1f55 h VAL 35 Cb 1.47 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 31.20 1f55 h VAL 35 CO -0.00 0.00 -1.78 0.80 0.02 0.00 0.00 177.57 176.60 1f55 n MET 36 N -5.38 0.56 -0.38 1.57 1.56 -0.60 -4.33 117.12 110.12 1f55 n MET 36 Ca -0.15 0.37 0.31 0.00 -0.27 0.00 0.00 57.70 57.96 1f55 n MET 36 Cb 0.49 -1.57 0.58 0.00 2.15 0.00 0.00 33.22 34.86 1f55 n MET 36 CO 0.00 0.00 0.00 -0.09 -0.73 0.00 0.00 175.97 175.15 1f55 h ARG 37 N -1.00 0.15 0.00 2.12 2.43 0.46 0.77 114.38 119.30 1f55 h ARG 37 Ca -0.44 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.72 1f55 h ARG 37 Cb 1.34 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.86 1f55 h ARG 37 CO -0.27 0.10 0.00 0.45 -1.51 0.00 0.00 179.97 178.74 1f55 n SER 38 N -4.93 0.00 -3.11 -3.80 2.88 -1.13 -4.23 113.62 99.31 1f55 n SER 38 Ca 0.35 0.56 -0.23 0.00 -1.33 0.00 0.00 58.87 58.22 1f55 n SER 38 Cb 1.24 -0.06 -0.04 0.00 -0.75 0.00 0.00 64.21 64.60 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 -0.77 2.52 0.00 2.46 0.00 -0.97 -4.80 117.00 115.44 1f55 n LEU 39 Ca 0.00 -5.29 0.00 0.00 0.00 0.00 0.00 56.01 50.72 1f55 n LEU 39 Cb 0.00 0.07 0.00 0.00 0.00 0.00 0.00 43.42 43.49 1f55 n LEU 39 CO 0.00 2.27 0.00 0.61 0.00 0.00 0.00 177.39 180.27 1f55 n GLY 40 N 0.23 0.08 0.00 -3.96 0.00 0.10 -4.97 105.19 96.67 1f55 n GLY 40 Ca 0.27 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.21 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 -1.34 0.00 -4.10 0.99 7.94 0.23 -4.90 117.00 115.83 1f55 n LEU 41 Ca 0.00 0.00 -0.36 0.00 -1.11 0.00 0.00 56.01 54.54 1f55 n LEU 41 Cb 0.00 0.00 -0.11 0.00 0.53 0.00 0.00 43.42 43.84 1f55 n LEU 41 CO 0.00 0.00 -0.11 -0.55 -1.11 0.00 0.00 177.39 175.62 1f55 s SER 42 N 0.00 5.17 0.00 1.96 0.15 -1.26 0.19 113.70 119.91 1f55 s SER 42 Ca 0.00 -2.36 0.00 0.00 0.70 0.00 0.00 55.95 54.29 1f55 s SER 42 Cb 0.00 -1.81 0.00 0.00 -1.71 0.00 0.00 66.02 62.50 1f55 s SER 42 CO 0.00 -0.46 0.00 -0.81 1.20 0.00 0.00 173.24 173.17 1f55 n PRO 43 N 4.14 0.00 0.00 5.44 -0.04 -1.26 -4.98 135.00 138.30 1f55 n PRO 43 Ca 0.02 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.48 1f55 n PRO 43 Cb 0.40 -0.11 0.00 0.00 -0.04 0.00 0.00 33.50 33.74 1f55 n PRO 43 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1f55 n SER 44 N 0.00 0.00 -0.27 3.54 3.41 -1.26 -4.97 113.62 114.07 1f55 n SER 44 Ca 0.00 0.00 0.05 0.00 -0.26 0.00 0.00 58.87 58.66 1f55 n SER 44 Cb 0.00 0.00 0.11 0.00 -0.26 0.00 0.00 64.21 64.06 1f55 n SER 44 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 1f55 n GLU 45 N -0.28 -0.07 -0.23 4.33 0.28 -1.26 0.18 120.64 123.59 1f55 n GLU 45 Ca 0.00 1.15 0.03 0.00 -0.16 0.00 0.00 57.16 58.18 1f55 n GLU 45 Cb 0.00 -1.72 0.13 0.00 1.43 0.00 0.00 31.44 31.28 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 1.48 0.70 0.00 -1.84 0.00 -1.98 0.79 119.26 118.40 1f55 h ALA 46 Ca 0.36 0.22 -0.19 0.00 0.00 0.00 0.00 54.91 55.29 1f55 h ALA 46 Cb 0.55 0.38 -0.03 0.00 0.00 0.00 0.00 17.79 18.69 1f55 h ALA 46 CO -0.76 -0.41 -0.91 1.49 0.00 0.00 0.00 179.25 178.67 1f55 h GLU 47 N 0.11 0.00 0.22 0.00 4.57 0.15 -2.19 114.58 117.44 1f55 h GLU 47 Ca 0.37 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.54 1f55 h GLU 47 Cb 0.63 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.22 1f55 h GLU 47 CO -0.60 0.91 -0.11 0.28 -1.18 0.00 0.00 179.01 178.31 1f55 h VAL 48 N 0.00 0.00 -0.78 0.32 2.07 0.33 -2.52 116.25 115.67 1f55 h VAL 48 Ca -0.01 -0.14 0.11 0.00 0.82 0.00 0.00 66.70 67.48 1f55 h VAL 48 Cb 1.61 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 31.32 1f55 h VAL 48 CO 0.12 0.00 0.51 -1.13 0.02 0.00 0.00 177.57 177.09 1f55 h ASN 49 N -0.44 0.58 -0.76 0.57 -1.24 0.25 -1.05 115.58 113.49 1f55 h ASN 49 Ca -0.03 0.02 0.06 0.00 0.71 0.00 0.00 56.30 57.06 1f55 h ASN 49 Cb 0.23 -0.10 -0.06 0.00 0.73 0.00 0.00 38.32 39.12 1f55 h ASN 49 CO 0.05 0.33 0.45 0.44 -1.29 0.00 0.00 177.43 177.41 1f55 h ASP 50 N 0.64 0.69 0.31 1.15 5.19 -1.40 -1.37 116.42 121.63 1f55 h ASP 50 Ca 0.37 0.02 -0.02 0.00 -0.62 0.00 0.00 57.03 56.79 1f55 h ASP 50 Cb 0.56 -0.12 0.00 0.00 0.18 0.00 0.00 39.33 39.95 1f55 h ASP 50 CO -0.14 0.44 -0.15 0.25 -3.12 0.00 0.00 179.24 176.52 1f55 h LEU 51 N 0.82 -0.35 -0.35 1.55 6.46 -0.74 -1.09 115.31 121.61 1f55 h LEU 51 Ca 0.33 -0.15 0.07 0.00 -0.12 0.00 0.00 57.88 58.02 1f55 h LEU 51 Cb 0.18 0.09 -0.09 0.00 -0.73 0.00 0.00 40.66 40.11 1f55 h LEU 51 CO -0.18 -0.03 -0.31 -0.03 -0.62 0.00 0.00 178.44 177.28 1f55 h MET 52 N -0.70 -0.25 -0.04 1.25 4.05 -1.23 -1.63 114.93 116.38 1f55 h MET 52 Ca -0.04 0.02 0.02 0.00 -0.28 0.00 0.00 59.70 59.41 1f55 h MET 52 Cb 0.48 0.06 -0.02 0.00 -0.80 0.00 0.00 31.60 31.32 1f55 h MET 52 CO 0.07 -0.17 -0.07 -0.97 0.23 0.00 0.00 176.91 176.00 1f55 h ASN 53 N -0.26 -0.21 -0.77 1.39 -0.73 -1.25 0.27 115.58 114.01 1f55 h ASN 53 Ca 0.16 0.04 0.12 0.00 1.87 0.00 0.00 56.30 58.50 1f55 h ASN 53 Cb 0.53 0.10 -0.13 0.00 0.27 0.00 0.00 38.32 39.08 1f55 h ASN 53 CO -0.50 -0.10 -0.37 -0.33 -0.37 0.00 0.00 177.43 175.76 1f55 h GLU 54 N -0.11 -0.09 0.00 6.67 4.39 -0.26 1.06 114.58 126.24 1f55 h GLU 54 Ca 0.04 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.75 1f55 h GLU 54 Cb 0.16 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.83 1f55 h GLU 54 CO -0.10 -0.06 0.00 -0.89 -1.16 0.00 0.00 179.01 176.80 1f55 n ILE 55 N -5.45 0.17 -2.20 3.13 5.41 -0.86 -4.81 119.36 114.76 1f55 n ILE 55 Ca 0.07 -0.04 -0.41 0.00 1.00 0.00 0.00 62.75 63.36 1f55 n ILE 55 Cb 0.37 -0.55 -0.03 0.00 -0.71 0.00 0.00 39.64 38.73 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 -3.32 6.87 -0.17 4.38 -1.08 0.37 -4.53 116.67 119.19 1f55 s ASP 56 Ca 0.13 2.40 0.12 0.00 -0.52 0.00 0.00 52.55 54.68 1f55 s ASP 56 Cb 0.17 -2.61 -0.19 0.00 -1.46 0.00 0.00 42.92 38.83 1f55 s ASP 56 CO 0.53 -0.56 0.01 1.33 0.52 0.00 0.00 175.17 177.00 1f55 n VAL 57 N 2.87 1.15 -0.09 1.11 0.24 -1.26 -4.59 118.33 117.75 1f55 n VAL 57 Ca 0.07 -0.66 -0.09 0.00 -2.04 0.00 0.00 64.34 61.62 1f55 n VAL 57 Cb 0.43 -0.69 -0.16 0.00 -1.47 0.00 0.00 33.84 31.95 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 -2.70 0.10 -0.73 -1.34 5.68 -1.26 -5.04 116.55 111.25 1f55 n ASP 58 Ca -0.29 0.05 0.00 0.00 -0.50 0.00 0.00 54.79 54.05 1f55 n ASP 58 Cb 1.01 0.91 0.00 0.00 -1.14 0.00 0.00 41.12 41.90 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 1.71 0.37 1.49 6.12 0.00 -1.26 -5.03 105.19 108.59 1f55 n GLY 59 Ca -0.30 -0.49 -0.04 0.00 0.00 0.00 0.00 46.02 45.19 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 -0.52 2.47 0.00 1.61 6.94 -1.26 -4.93 115.26 119.57 1f55 n ASN 60 Ca 0.00 -3.24 0.00 0.00 -0.02 0.00 0.00 54.58 51.32 1f55 n ASN 60 Cb 0.24 -0.43 0.00 0.00 -2.36 0.00 0.00 39.78 37.24 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 -0.62 0.00 -3.57 -2.53 8.25 -1.26 -4.87 115.22 110.61 1f55 n HIS 61 Ca 0.22 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.62 1f55 n HIS 61 Cb 0.87 -1.67 -0.02 0.00 1.12 0.00 0.00 29.99 30.29 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 -1.67 0.66 0.12 -0.41 -2.07 -1.26 -4.29 119.66 110.74 1f55 s GLN 62 Ca 0.00 -0.27 0.06 0.00 -1.82 0.00 0.00 55.36 53.33 1f55 s GLN 62 Cb 0.00 0.29 -0.04 0.00 -1.09 0.00 0.00 33.01 32.17 1f55 s GLN 62 CO 0.00 -0.29 -0.13 0.96 -1.32 0.00 0.00 175.29 174.50 1f55 s ILE 63 N -2.86 1.28 0.00 3.63 -5.25 0.25 -4.79 121.20 113.46 1f55 s ILE 63 Ca 0.08 -1.72 0.00 0.00 -0.99 0.00 0.00 60.65 58.02 1f55 s ILE 63 Cb -0.01 -1.52 0.00 0.00 2.95 0.00 0.00 42.46 43.89 1f55 s ILE 63 CO -0.06 -0.44 0.00 -0.62 -1.79 0.00 0.00 174.94 172.03 1f55 n GLU 64 N 0.52 2.18 0.00 0.37 1.02 -1.26 0.17 120.64 123.64 1f55 n GLU 64 Ca -0.15 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.99 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 -0.38 0.00 -0.28 -0.32 7.35 -1.26 -2.30 117.46 120.28 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 -0.36 0.46 0.00 0.35 0.00 0.00 39.48 39.93 1f55 n PHE 65 CO 0.00 0.00 0.00 0.43 -0.76 0.00 0.00 176.76 176.43 1f55 n SER 66 N -1.57 0.22 -0.12 -2.13 7.64 -1.26 0.26 113.62 116.67 1f55 n SER 66 Ca 0.00 1.16 -0.11 0.00 1.01 0.00 0.00 58.87 60.93 1f55 n SER 66 Cb 0.00 -0.57 -0.03 0.00 -1.01 0.00 0.00 64.21 62.60 1f55 n SER 66 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 1f55 h GLU 67 N 0.00 0.63 -0.42 1.43 5.08 -1.87 -1.98 114.58 117.45 1f55 h GLU 67 Ca 0.64 -0.22 0.09 0.00 -1.00 0.00 0.00 59.36 58.87 1f55 h GLU 67 Cb 1.83 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 31.01 1f55 h GLU 67 CO -0.49 0.78 0.29 0.35 -1.00 0.00 0.00 179.01 178.93 1f55 h PHE 68 N 0.42 0.16 -0.11 4.33 3.57 0.41 -0.41 116.94 125.30 1f55 h PHE 68 Ca 0.09 0.00 -0.22 0.00 3.53 0.00 0.00 57.97 61.38 1f55 h PHE 68 Cb 0.53 -0.05 0.01 0.00 2.79 0.00 0.00 35.95 39.22 1f55 h PHE 68 CO 0.05 0.08 -0.79 -0.07 -2.23 0.00 0.00 178.31 175.34 1f55 h LEU 69 N 0.15 0.79 -0.40 0.59 -0.00 -0.84 0.27 115.31 115.88 1f55 h LEU 69 Ca 0.19 -0.53 0.05 0.00 -0.00 0.00 0.00 57.88 57.58 1f55 h LEU 69 Cb 0.57 -0.24 -0.04 0.00 -0.00 0.00 0.00 40.66 40.95 1f55 h LEU 69 CO -0.03 1.32 0.15 0.00 -0.00 0.00 0.00 178.44 179.88 1f55 h ALA 70 N 0.66 0.48 0.07 1.53 0.00 -0.36 0.45 119.26 122.10 1f55 h ALA 70 Ca -0.05 0.04 -0.28 0.00 0.00 0.00 0.00 54.91 54.62 1f55 h ALA 70 Cb 1.41 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.19 1f55 h ALA 70 CO 0.15 -0.23 -1.43 1.25 0.00 0.00 0.00 179.25 178.99 1f55 h LEU 71 N 0.32 0.24 0.05 0.00 6.46 -1.51 0.60 115.31 121.47 1f55 h LEU 71 Ca 0.18 -0.32 -0.00 0.00 -0.12 0.00 0.00 57.88 57.62 1f55 h LEU 71 Cb 0.15 -0.08 0.00 0.00 -0.73 0.00 0.00 40.66 40.01 1f55 h LEU 71 CO -0.18 1.27 -0.03 -0.03 -0.62 0.00 0.00 178.44 178.86 1f55 h MET 72 N 0.04 -0.07 0.00 1.25 4.05 -0.20 -3.15 114.93 116.85 1f55 h MET 72 Ca -0.19 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.23 1f55 h MET 72 Cb 1.96 0.02 0.00 0.00 -0.80 0.00 0.00 31.60 32.77 1f55 h MET 72 CO 0.14 -0.05 0.00 0.43 0.23 0.00 0.00 176.91 177.67 1f55 n SER 73 N -2.26 0.00 -2.65 1.39 7.64 0.13 -4.86 113.62 113.01 1f55 n SER 73 Ca -0.01 -0.98 -0.16 0.00 1.01 0.00 0.00 58.87 58.73 1f55 n SER 73 Cb 0.03 0.00 0.06 0.00 -1.01 0.00 0.00 64.21 63.28 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 -0.90 -5.44 -1.10 1.43 3.00 -0.85 -4.75 116.66 108.05 1f55 n ARG 74 Ca 0.16 0.58 0.12 0.00 -0.00 0.00 0.00 57.85 58.70 1f55 n ARG 74 Cb 0.07 -4.84 -0.04 0.00 0.00 0.00 0.00 32.46 27.65 1f55 n ARG 74 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.63 178.57 1f55 n GLN 75 N -3.58 -2.04 0.00 -0.14 7.27 0.20 -4.82 117.38 114.28 1f55 n GLN 75 Ca -0.01 1.50 0.00 0.00 0.07 0.00 0.00 57.00 58.56 1f55 n GLN 75 Cb 0.55 -2.59 0.00 0.00 2.41 0.00 0.00 30.24 30.61 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 -3.44 0.00 -0.86 1.69 4.32 -1.26 -5.04 117.00 112.42 1f55 n LEU 76 Ca -0.02 0.00 0.12 0.00 -0.02 0.00 0.00 56.01 56.09 1f55 n LEU 76 Cb 0.62 0.00 0.19 0.00 -1.62 0.00 0.00 43.42 42.61 1f55 n LEU 76 CO 0.02 -0.12 0.68 0.29 -1.22 0.00 0.00 177.39 177.03