#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 6.79 -3.96 -3.46 3.41 -1.26 -4.72 113.62 110.43 1f55 n SER 2 Ca 0.00 -3.24 -0.27 0.00 -0.26 0.00 0.00 58.87 55.10 1f55 n SER 2 Cb 0.00 -1.36 -0.02 0.00 -0.26 0.00 0.00 64.21 62.57 1f55 n SER 2 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1f55 n ASN 3 N 2.14 -0.89 0.00 4.04 4.13 -1.26 -4.96 115.26 118.46 1f55 n ASN 3 Ca 0.48 -1.05 0.00 0.00 1.68 0.00 0.00 54.58 55.70 1f55 n ASN 3 Cb 0.30 -2.90 0.00 0.00 -1.54 0.00 0.00 39.78 35.64 1f55 n ASN 3 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1f55 n LEU 4 N -4.42 0.00 0.00 3.41 4.77 -1.26 -4.23 117.00 115.27 1f55 n LEU 4 Ca -0.28 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.70 1f55 n LEU 4 Cb 0.67 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.76 1f55 n LEU 4 CO 0.75 0.00 0.00 0.35 -1.33 0.00 0.00 177.39 177.16 1f55 n THR 5 N 0.00 0.00 -0.61 -5.08 -2.24 -1.26 -0.62 114.28 104.47 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 0.80 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 0.01 -0.09 -0.78 4.11 -1.97 0.94 114.58 116.79 1f55 h GLU 6 Ca 0.00 -0.00 -0.05 0.00 0.07 0.00 0.00 59.36 59.38 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 0.01 0.24 -0.14 1.06 4.81 -1.11 -1.04 114.58 118.40 1f55 h GLU 7 Ca 0.86 -0.14 -0.10 0.00 -0.13 0.00 0.00 59.36 59.85 1f55 h GLU 7 Cb 3.39 0.01 0.00 0.00 0.63 0.00 0.00 28.75 32.78 1f55 h GLU 7 CO -0.04 0.70 -0.30 -0.56 -0.73 0.00 0.00 179.01 178.08 1f55 h GLN 8 N -0.19 0.46 0.35 1.92 3.07 0.11 -2.76 115.11 118.06 1f55 h GLN 8 Ca 0.01 -0.30 -0.01 0.00 0.09 0.00 0.00 58.65 58.44 1f55 h GLN 8 Cb 0.67 0.04 -0.02 0.00 0.08 0.00 0.00 27.48 28.25 1f55 h GLN 8 CO 0.03 0.90 -0.38 0.82 0.09 0.00 0.00 178.83 180.30 1f55 h ILE 9 N 0.07 0.00 -0.83 1.86 2.04 -0.51 0.38 117.51 120.52 1f55 h ILE 9 Ca 0.00 0.00 0.19 0.00 1.00 0.00 0.00 64.86 66.05 1f55 h ILE 9 Cb 0.89 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 36.82 1f55 h ILE 9 CO 0.07 0.00 -0.07 0.00 0.00 0.00 0.00 178.15 178.15 1f55 h ALA 10 N -1.10 0.78 -0.73 1.87 0.00 -1.26 0.81 119.26 119.63 1f55 h ALA 10 Ca -0.04 0.29 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 1f55 h ALA 10 Cb 0.64 0.53 -0.03 0.00 0.00 0.00 0.00 17.79 18.93 1f55 h ALA 10 CO -0.06 -0.44 0.43 1.49 0.00 0.00 0.00 179.25 180.66 1f55 h GLU 11 N 0.05 1.00 0.04 0.00 4.81 -1.07 -2.76 114.58 116.65 1f55 h GLU 11 Ca 0.45 -0.10 -0.00 0.00 -0.13 0.00 0.00 59.36 59.58 1f55 h GLU 11 Cb 0.79 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.97 1f55 h GLU 11 CO -0.79 0.72 -0.02 0.74 -0.73 0.00 0.00 179.01 178.93 1f55 h PHE 12 N 1.00 -0.05 -0.87 0.92 0.04 0.47 -2.69 116.94 115.75 1f55 h PHE 12 Ca 0.26 -0.00 0.14 0.00 2.80 0.00 0.00 57.97 61.17 1f55 h PHE 12 Cb -0.01 0.02 -0.15 0.00 2.20 0.00 0.00 35.95 38.01 1f55 h PHE 12 CO -0.01 0.13 -0.38 0.87 -0.60 0.00 0.00 178.31 178.32 1f55 h LYS 13 N -0.23 -0.05 -0.61 1.51 1.57 0.03 1.14 116.57 119.92 1f55 h LYS 13 Ca -0.01 0.00 0.09 0.00 -1.87 0.00 0.00 60.65 58.87 1f55 h LYS 13 Cb 0.21 0.01 -0.07 0.00 0.08 0.00 0.00 32.23 32.46 1f55 h LYS 13 CO 0.01 -0.03 0.25 1.49 -0.57 0.00 0.00 179.45 180.60 1f55 h GLU 14 N -0.05 0.43 -0.09 3.15 4.81 -1.36 -1.74 114.58 119.74 1f55 h GLU 14 Ca 0.31 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.50 1f55 h GLU 14 Cb 0.58 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 29.86 1f55 h GLU 14 CO -0.89 0.29 0.03 0.00 -0.73 0.00 0.00 179.01 177.70 1f55 h ALA 15 N 1.40 0.12 -0.26 2.92 0.00 0.11 -2.76 119.26 120.79 1f55 h ALA 15 Ca 0.30 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 55.13 1f55 h ALA 15 Cb 0.35 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.05 1f55 h ALA 15 CO -0.28 -0.28 -0.37 0.35 0.00 0.00 0.00 179.25 178.67 1f55 h PHE 16 N -0.04 -1.13 -0.90 0.00 3.57 0.17 0.21 116.94 118.83 1f55 h PHE 16 Ca 0.03 0.05 0.24 0.00 3.53 0.00 0.00 57.97 61.83 1f55 h PHE 16 Cb 0.21 0.53 -0.15 0.00 2.79 0.00 0.00 35.95 39.32 1f55 h PHE 16 CO -0.00 -0.33 0.15 0.00 -2.23 0.00 0.00 178.31 175.90 1f55 h ALA 17 N -0.48 1.20 -0.96 2.41 0.00 -1.35 1.12 119.26 121.20 1f55 h ALA 17 Ca 0.05 0.26 0.15 0.00 0.00 0.00 0.00 54.91 55.37 1f55 h ALA 17 Cb 0.40 0.42 -0.09 0.00 0.00 0.00 0.00 17.79 18.51 1f55 h ALA 17 CO -0.39 -0.51 0.57 1.25 0.00 0.00 0.00 179.25 180.17 1f55 h LEU 18 N 0.12 0.77 -0.71 0.00 5.85 -0.31 0.65 115.31 121.68 1f55 h LEU 18 Ca 0.56 0.08 -0.08 0.00 0.84 0.00 0.00 57.88 59.27 1f55 h LEU 18 Cb 1.13 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 42.07 1f55 h LEU 18 CO -0.74 0.34 0.11 -0.26 -0.34 0.00 0.00 178.44 177.55 1f55 h PHE 19 N 0.81 1.17 -4.45 1.25 0.04 0.23 -3.41 116.94 112.59 1f55 h PHE 19 Ca 0.51 -0.16 -0.46 0.00 2.80 0.00 0.00 57.97 60.66 1f55 h PHE 19 Cb 0.67 -0.32 0.12 0.00 2.20 0.00 0.00 35.95 38.61 1f55 h PHE 19 CO -0.03 0.98 0.41 0.34 -0.60 0.00 0.00 178.31 179.41 1f55 s ASP 20 N -6.51 4.13 -0.05 2.17 2.15 0.22 -1.83 116.67 116.95 1f55 s ASP 20 Ca -0.12 0.64 0.08 0.00 0.43 0.00 0.00 52.55 53.58 1f55 s ASP 20 Cb 0.14 -1.01 0.14 0.00 -0.30 0.00 0.00 42.92 41.90 1f55 s ASP 20 CO 0.85 -2.13 1.07 0.29 -0.17 0.00 0.00 175.17 175.08 1f55 n LYS 21 N -3.44 0.47 -0.50 4.34 4.76 -1.26 -4.78 118.16 117.75 1f55 n LYS 21 Ca 0.10 -1.66 -0.00 0.00 -2.87 0.00 0.00 58.31 53.88 1f55 n LYS 21 Cb 0.61 -0.83 -0.00 0.00 -1.84 0.00 0.00 35.03 32.96 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 -0.47 -0.00 -2.46 4.39 5.68 -1.26 -4.98 116.55 117.45 1f55 n ASP 22 Ca 0.06 -1.23 -0.02 0.00 -0.50 0.00 0.00 54.79 53.10 1f55 n ASP 22 Cb 0.71 -0.05 -0.00 0.00 -1.14 0.00 0.00 41.12 40.64 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 -1.53 0.00 -1.12 3.02 -1.26 -4.70 115.26 109.67 1f55 n ASN 23 Ca -0.00 0.43 0.03 0.00 -0.03 0.00 0.00 54.58 55.02 1f55 n ASN 23 Cb 0.55 -1.43 0.19 0.00 -0.61 0.00 0.00 39.78 38.48 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 -1.51 0.00 -0.61 6.41 4.05 -1.26 -4.81 115.26 117.53 1f55 n ASN 24 Ca -0.03 -1.70 -0.08 0.00 0.45 0.00 0.00 54.58 53.23 1f55 n ASN 24 Cb 0.51 0.00 -0.03 0.00 1.23 0.00 0.00 39.78 41.49 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 0.55 0.90 3.15 8.20 0.00 -1.26 -4.95 105.19 111.78 1f55 n GLY 25 Ca 0.05 -0.20 -0.13 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.48 -0.30 -0.11 1.61 0.15 -1.26 -3.66 113.70 107.65 1f55 s SER 26 Ca 0.00 0.58 0.02 0.00 0.70 0.00 0.00 55.95 57.25 1f55 s SER 26 Cb 0.00 0.55 -0.01 0.00 -1.71 0.00 0.00 66.02 64.85 1f55 s SER 26 CO 0.00 -0.12 -0.19 -0.63 1.20 0.00 0.00 173.24 173.51 1f55 s ILE 27 N 0.44 2.54 0.00 6.45 1.01 0.17 -4.78 121.20 127.03 1f55 s ILE 27 Ca -0.02 -0.85 0.00 0.00 0.00 0.00 0.00 60.65 59.77 1f55 s ILE 27 Cb -0.04 -2.01 0.00 0.00 0.01 0.00 0.00 42.46 40.42 1f55 s ILE 27 CO -0.02 0.55 0.00 -0.24 0.00 0.00 0.00 174.94 175.22 1f55 n SER 28 N 3.45 0.54 0.09 3.58 2.88 -1.26 0.38 113.62 123.28 1f55 n SER 28 Ca -0.18 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.32 1f55 n SER 28 Cb 0.53 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.97 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 -0.21 -0.16 -3.46 0.02 -1.86 -2.59 113.55 105.29 1f55 h SER 29 Ca 0.00 0.01 0.05 0.00 -0.84 0.00 0.00 61.79 61.01 1f55 h SER 29 Cb 0.00 0.05 -0.06 0.00 0.14 0.00 0.00 62.40 62.53 1f55 h SER 29 CO 0.00 -0.13 -0.27 0.77 -1.14 0.00 0.00 176.83 176.07 1f55 h SER 30 N -0.29 -0.84 0.00 3.07 4.64 -1.96 -1.13 113.55 117.05 1f55 h SER 30 Ca -0.02 0.13 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 1f55 h SER 30 Cb 0.19 0.37 0.00 0.00 -0.31 0.00 0.00 62.40 62.65 1f55 h SER 30 CO 0.04 -0.31 0.00 -0.62 -0.87 0.00 0.00 176.83 175.07 1f55 n GLU 31 N -5.38 0.00 -0.19 4.77 1.02 -1.24 0.11 120.64 119.72 1f55 n GLU 31 Ca -0.02 0.88 -0.02 0.00 -0.02 0.00 0.00 57.16 57.97 1f55 n GLU 31 Cb 0.30 -1.43 0.05 0.00 -0.02 0.00 0.00 31.44 30.33 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 -0.65 -2.85 -4.62 7.12 -0.94 0.83 115.31 114.19 1f55 h LEU 32 Ca 0.00 0.19 -0.00 0.00 0.13 0.00 0.00 57.88 58.20 1f55 h LEU 32 Cb 0.00 0.40 -0.00 0.00 -0.53 0.00 0.00 40.66 40.53 1f55 h LEU 32 CO 0.00 -0.22 -0.00 0.00 -0.13 0.00 0.00 178.44 178.09 1f55 h ALA 33 N 1.48 1.01 0.00 1.25 0.00 0.12 0.25 119.26 123.38 1f55 h ALA 33 Ca 0.27 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1f55 h ALA 33 Cb 0.46 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1f55 h ALA 33 CO -0.62 0.00 0.00 2.41 0.00 0.00 0.00 179.25 181.04 1f55 n THR 34 N -3.10 0.11 0.79 0.00 -1.04 0.31 -2.95 114.28 108.40 1f55 n THR 34 Ca -0.03 0.03 0.13 0.00 -2.04 0.00 0.00 64.05 62.14 1f55 n THR 34 Cb 0.09 -0.58 0.47 0.00 -1.82 0.00 0.00 70.33 68.50 1f55 n THR 34 CO 0.00 0.00 0.00 0.55 -0.64 0.00 0.00 175.07 174.98 1f55 n VAL 35 N -1.31 0.31 -0.05 12.58 3.14 0.08 -4.05 118.33 129.03 1f55 n VAL 35 Ca 0.12 -0.15 -0.07 0.00 -2.96 0.00 0.00 64.34 61.28 1f55 n VAL 35 Cb 0.23 -0.48 -0.04 0.00 -1.06 0.00 0.00 33.84 32.48 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 -1.90 0.24 -0.31 1.45 2.81 -1.15 -4.58 117.12 113.68 1f55 n MET 36 Ca 0.06 0.06 0.13 0.00 -1.81 0.00 0.00 57.70 56.14 1f55 n MET 36 Cb 0.39 -1.18 0.28 0.00 -0.71 0.00 0.00 33.22 31.99 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 -0.01 0.08 0.00 0.03 3.08 -1.67 1.78 114.38 117.67 1f55 h ARG 37 Ca -0.22 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 59.82 1f55 h ARG 37 Cb 1.33 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 31.36 1f55 h ARG 37 CO -0.04 0.06 -0.05 0.66 -1.07 0.00 0.00 179.97 179.53 1f55 h SER 38 N 0.09 0.00 0.98 7.04 4.64 -1.82 -1.59 113.55 122.88 1f55 h SER 38 Ca 0.56 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.83 1f55 h SER 38 Cb 1.14 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.22 1f55 h SER 38 CO -0.79 0.05 -1.05 0.25 -0.87 0.00 0.00 176.83 174.42 1f55 h LEU 39 N 0.00 0.00 0.00 5.97 5.85 0.23 -3.48 115.31 123.89 1f55 h LEU 39 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1f55 h LEU 39 Cb 0.11 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.14 1f55 h LEU 39 CO 0.01 0.18 0.00 0.61 -0.34 0.00 0.00 178.44 178.90 1f55 n GLY 40 N 1.24 0.22 3.16 3.75 0.00 0.38 -5.12 105.19 108.81 1f55 n GLY 40 Ca -0.02 -0.63 -0.16 0.00 0.00 0.00 0.00 46.02 45.21 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 0.00 0.00 -2.66 0.99 7.94 -1.17 -4.90 117.00 117.20 1f55 n LEU 41 Ca 0.00 -2.86 -0.04 0.00 -1.11 0.00 0.00 56.01 52.00 1f55 n LEU 41 Cb 0.00 2.09 0.10 0.00 0.53 0.00 0.00 43.42 46.14 1f55 n LEU 41 CO 0.00 -0.58 0.68 -0.24 -1.11 0.00 0.00 177.39 176.14 1f55 n SER 42 N -1.69 -1.24 -4.73 1.96 2.88 -1.26 -4.28 113.62 105.26 1f55 n SER 42 Ca 0.03 -1.82 -0.41 0.00 -1.33 0.00 0.00 58.87 55.34 1f55 n SER 42 Cb 0.57 0.96 -0.03 0.00 -0.75 0.00 0.00 64.21 64.96 1f55 n SER 42 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1f55 s PRO 43 N 0.07 4.46 0.72 -1.46 0.04 -1.26 -5.03 135.00 132.55 1f55 s PRO 43 Ca 0.23 1.85 -0.11 0.00 0.04 0.00 0.00 61.00 63.00 1f55 s PRO 43 Cb 0.26 -3.28 0.02 0.00 0.04 0.00 0.00 34.50 31.55 1f55 s PRO 43 CO -0.15 -0.16 1.08 -1.12 0.04 0.00 0.00 177.00 176.69 1f55 s SER 44 N 0.50 5.24 0.22 6.66 0.01 -1.26 -4.38 113.70 120.69 1f55 s SER 44 Ca 0.56 1.29 -0.01 0.00 1.31 0.00 0.00 55.95 59.10 1f55 s SER 44 Cb -0.32 -2.12 0.49 0.00 0.21 0.00 0.00 66.02 64.28 1f55 s SER 44 CO 0.34 -1.49 1.16 1.21 0.41 0.00 0.00 173.24 174.87 1f55 n GLU 45 N -3.13 -0.06 -0.22 12.44 2.13 -1.26 0.71 120.64 131.25 1f55 n GLU 45 Ca 0.07 1.13 -0.05 0.00 0.66 0.00 0.00 57.16 58.97 1f55 n GLU 45 Cb 0.56 -1.76 0.01 0.00 0.27 0.00 0.00 31.44 30.52 1f55 n GLU 45 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1f55 h ALA 46 N 1.49 -0.00 0.12 4.31 0.00 -1.98 1.04 119.26 124.24 1f55 h ALA 46 Ca 0.42 0.18 -0.28 0.00 0.00 0.00 0.00 54.91 55.23 1f55 h ALA 46 Cb 0.80 0.79 0.02 0.00 0.00 0.00 0.00 17.79 19.40 1f55 h ALA 46 CO -0.72 -0.66 -1.23 0.93 0.00 0.00 0.00 179.25 177.57 1f55 h GLU 47 N -0.14 0.44 0.25 0.00 4.39 -0.04 -2.06 114.58 117.43 1f55 h GLU 47 Ca 0.25 -0.64 -0.01 0.00 0.34 0.00 0.00 59.36 59.30 1f55 h GLU 47 Cb 0.55 0.22 0.00 0.00 -0.10 0.00 0.00 28.75 29.43 1f55 h GLU 47 CO -0.71 1.28 -0.12 0.28 -1.16 0.00 0.00 179.01 178.57 1f55 h VAL 48 N 0.17 0.00 -0.99 3.13 2.07 0.77 -1.97 116.25 119.43 1f55 h VAL 48 Ca -0.16 -0.03 0.14 0.00 0.82 0.00 0.00 66.70 67.47 1f55 h VAL 48 Cb 1.92 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 31.60 1f55 h VAL 48 CO 0.22 0.00 0.62 -1.13 0.02 0.00 0.00 177.57 177.30 1f55 h ASN 49 N -0.37 0.87 -0.58 0.57 -1.24 0.90 -0.91 115.58 114.82 1f55 h ASN 49 Ca -0.03 0.06 0.11 0.00 0.71 0.00 0.00 56.30 57.14 1f55 h ASN 49 Cb 0.26 -0.12 -0.08 0.00 0.73 0.00 0.00 38.32 39.11 1f55 h ASN 49 CO 0.06 0.44 0.13 -0.78 -1.29 0.00 0.00 177.43 175.98 1f55 h ASP 50 N 0.92 0.01 0.74 1.15 3.58 -1.26 0.33 116.42 121.88 1f55 h ASP 50 Ca 0.51 0.11 -0.04 0.00 0.42 0.00 0.00 57.03 58.03 1f55 h ASP 50 Cb 0.59 0.14 0.01 0.00 1.72 0.00 0.00 39.33 41.79 1f55 h ASP 50 CO -0.28 0.02 -0.35 -0.07 -2.88 0.00 0.00 179.24 175.68 1f55 h LEU 51 N 0.26 -0.84 -1.94 2.28 3.38 -0.37 1.27 115.31 119.35 1f55 h LEU 51 Ca 0.30 0.01 0.16 0.00 0.09 0.00 0.00 57.88 58.44 1f55 h LEU 51 Cb 0.44 0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.38 1f55 h LEU 51 CO -0.38 -0.55 0.41 -0.03 0.09 0.00 0.00 178.44 177.97 1f55 h MET 52 N -1.07 0.06 0.13 1.13 4.05 -1.13 -1.17 114.93 116.93 1f55 h MET 52 Ca -0.10 -0.00 -0.32 0.00 -0.28 0.00 0.00 59.70 59.00 1f55 h MET 52 Cb 0.78 -0.01 -0.00 0.00 -0.80 0.00 0.00 31.60 31.56 1f55 h MET 52 CO 0.17 0.04 -1.59 -0.97 0.23 0.00 0.00 176.91 174.79 1f55 h ASN 53 N 0.06 0.44 0.00 1.39 -0.73 0.15 -1.06 115.58 115.83 1f55 h ASN 53 Ca 0.28 -0.62 0.00 0.00 1.87 0.00 0.00 56.30 57.82 1f55 h ASN 53 Cb 1.02 -0.14 0.00 0.00 0.27 0.00 0.00 38.32 39.47 1f55 h ASN 53 CO -0.02 1.52 0.04 1.21 -0.37 0.00 0.00 177.43 179.82 1f55 n GLU 54 N -3.48 0.13 0.00 6.67 4.07 0.43 -2.07 120.64 126.39 1f55 n GLU 54 Ca -0.18 0.62 0.00 0.00 -0.06 0.00 0.00 57.16 57.54 1f55 n GLU 54 Cb 1.05 -1.96 0.00 0.00 -0.06 0.00 0.00 31.44 30.47 1f55 n GLU 54 CO 0.00 0.00 0.00 1.51 -0.06 0.00 0.00 177.13 178.58 1f55 n ILE 55 N -2.19 0.00 -1.54 6.31 0.00 -1.10 -4.96 119.36 115.87 1f55 n ILE 55 Ca -0.01 -0.19 -0.26 0.00 0.00 0.00 0.00 62.75 62.28 1f55 n ILE 55 Cb 0.07 0.69 -0.08 0.00 0.00 0.00 0.00 39.64 40.32 1f55 n ILE 55 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 1f55 n ASP 56 N -0.99 1.59 0.08 9.51 -0.08 -0.40 -4.74 116.55 121.52 1f55 n ASP 56 Ca 0.00 -0.83 0.03 0.00 -1.51 0.00 0.00 54.79 52.48 1f55 n ASP 56 Cb 0.00 -1.46 0.40 0.00 2.34 0.00 0.00 41.12 42.40 1f55 n ASP 56 CO 0.00 0.00 0.00 -0.37 0.12 0.00 0.00 177.20 176.95 1f55 h VAL 57 N 7.67 1.15 0.00 5.18 -1.51 -1.88 -3.07 116.25 123.79 1f55 h VAL 57 Ca -0.10 -0.60 -0.36 0.00 -1.23 0.00 0.00 66.70 64.40 1f55 h VAL 57 Cb 1.16 1.01 -0.07 0.00 -2.13 0.00 0.00 31.29 31.26 1f55 h VAL 57 CO 1.16 0.20 -2.37 -0.90 -1.23 0.00 0.00 177.57 174.44 1f55 n ASP 58 N -4.34 0.02 -1.24 4.19 5.75 -1.26 -5.04 116.55 114.63 1f55 n ASP 58 Ca 0.00 0.01 0.00 0.00 -0.01 0.00 0.00 54.79 54.79 1f55 n ASP 58 Cb 0.21 1.01 0.00 0.00 -1.03 0.00 0.00 41.12 41.31 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 1.73 0.26 1.53 6.12 0.00 -1.16 -5.02 105.19 108.66 1f55 n GLY 59 Ca -0.32 -0.32 -0.07 0.00 0.00 0.00 0.00 46.02 45.31 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 -0.97 2.91 -0.13 1.61 6.94 -1.26 -4.92 115.26 119.44 1f55 n ASN 60 Ca 0.00 -3.41 -0.02 0.00 -0.02 0.00 0.00 54.58 51.13 1f55 n ASN 60 Cb 0.41 -0.42 -0.01 0.00 -2.36 0.00 0.00 39.78 37.40 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 -0.72 0.00 -3.86 -2.53 8.25 -1.26 -4.88 115.22 110.22 1f55 n HIS 61 Ca 0.26 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.65 1f55 n HIS 61 Cb 0.87 -1.83 -0.02 0.00 1.12 0.00 0.00 29.99 30.13 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 -1.87 1.81 0.07 -0.41 1.11 -1.26 -4.02 119.66 115.09 1f55 s GLN 62 Ca 0.00 -1.03 0.02 0.00 0.01 0.00 0.00 55.36 54.36 1f55 s GLN 62 Cb 0.00 0.61 -0.03 0.00 -1.01 0.00 0.00 33.01 32.57 1f55 s GLN 62 CO 0.00 -0.83 -0.07 0.96 0.01 0.00 0.00 175.29 175.37 1f55 s ILE 63 N -3.83 0.58 0.25 1.08 -5.25 0.16 -4.71 121.20 109.48 1f55 s ILE 63 Ca 0.12 -1.60 0.08 0.00 -0.99 0.00 0.00 60.65 58.26 1f55 s ILE 63 Cb -0.06 -1.25 -0.04 0.00 2.95 0.00 0.00 42.46 44.06 1f55 s ILE 63 CO 0.07 -0.71 0.08 -1.61 -1.79 0.00 0.00 174.94 170.99 1f55 s GLU 64 N -2.99 2.57 0.00 0.37 2.02 -1.26 0.44 118.70 119.85 1f55 s GLU 64 Ca 0.03 -1.24 0.00 0.00 0.02 0.00 0.00 54.97 53.78 1f55 s GLU 64 Cb -0.00 -2.35 0.00 0.00 0.10 0.00 0.00 34.13 31.88 1f55 s GLU 64 CO -0.03 0.39 0.93 0.34 0.02 0.00 0.00 175.26 176.91 1f55 n PHE 65 N -0.94 0.00 -0.38 1.61 7.35 -1.24 0.01 117.46 123.86 1f55 n PHE 65 Ca -0.07 0.00 0.32 0.00 -0.76 0.00 0.00 57.45 56.94 1f55 n PHE 65 Cb 0.58 -0.43 0.53 0.00 0.35 0.00 0.00 39.48 40.51 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 -2.58 0.13 -0.06 -2.13 2.88 -1.26 0.26 113.62 110.87 1f55 n SER 66 Ca 0.00 1.00 -0.14 0.00 -1.33 0.00 0.00 58.87 58.40 1f55 n SER 66 Cb 0.00 -0.49 -0.06 0.00 -0.75 0.00 0.00 64.21 62.90 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 0.50 -0.59 -1.46 5.08 -0.77 -2.42 114.58 114.92 1f55 h GLU 67 Ca 0.67 -0.29 0.13 0.00 -1.00 0.00 0.00 59.36 58.87 1f55 h GLU 67 Cb 2.25 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 31.49 1f55 h GLU 67 CO -0.30 0.88 0.41 0.35 -1.00 0.00 0.00 179.01 179.35 1f55 h PHE 68 N 0.15 0.25 -0.15 4.33 3.57 0.45 0.41 116.94 125.94 1f55 h PHE 68 Ca 0.02 0.01 -0.20 0.00 3.53 0.00 0.00 57.97 61.32 1f55 h PHE 68 Cb 0.82 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 39.49 1f55 h PHE 68 CO 0.09 0.10 -0.72 -0.07 -2.23 0.00 0.00 178.31 175.48 1f55 h LEU 69 N 0.22 0.78 -0.15 0.59 -0.00 -1.13 0.22 115.31 115.84 1f55 h LEU 69 Ca 0.28 -0.49 0.03 0.00 -0.00 0.00 0.00 57.88 57.70 1f55 h LEU 69 Cb 0.81 -0.23 -0.03 0.00 -0.00 0.00 0.00 40.66 41.20 1f55 h LEU 69 CO -0.05 1.27 -0.06 0.00 -0.00 0.00 0.00 178.44 179.59 1f55 h ALA 70 N 0.72 0.06 0.10 1.53 0.00 -0.43 -2.65 119.26 118.59 1f55 h ALA 70 Ca -0.03 0.06 -0.15 0.00 0.00 0.00 0.00 54.91 54.79 1f55 h ALA 70 Cb 1.33 0.16 0.01 0.00 0.00 0.00 0.00 17.79 19.29 1f55 h ALA 70 CO 0.14 -0.51 -0.68 1.25 0.00 0.00 0.00 179.25 179.45 1f55 h LEU 71 N -0.05 0.32 0.00 0.00 6.46 -1.52 -3.41 115.31 117.12 1f55 h LEU 71 Ca 0.08 -0.94 0.00 0.00 -0.12 0.00 0.00 57.88 56.90 1f55 h LEU 71 Cb 0.16 -0.10 0.00 0.00 -0.73 0.00 0.00 40.66 39.99 1f55 h LEU 71 CO -0.18 1.32 0.00 0.80 -0.62 0.00 0.00 178.44 179.76 1f55 n MET 72 N -4.24 0.00 -3.95 1.25 1.56 0.76 -4.81 117.12 107.68 1f55 n MET 72 Ca -0.15 0.00 -0.42 0.00 -0.27 0.00 0.00 57.70 56.87 1f55 n MET 72 Cb 0.74 -0.50 0.03 0.00 2.15 0.00 0.00 33.22 35.64 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 0.00 -4.54 -1.81 6.12 2.88 -1.00 -4.31 113.62 110.95 1f55 n SER 73 Ca 0.00 -1.20 0.00 0.00 -1.33 0.00 0.00 58.87 56.34 1f55 n SER 73 Cb 0.00 -2.15 0.00 0.00 -0.75 0.00 0.00 64.21 61.31 1f55 n SER 73 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1f55 n ARG 74 N -4.69 -5.07 0.08 -1.46 1.74 -1.26 -5.04 116.66 100.96 1f55 n ARG 74 Ca -0.11 3.65 0.00 0.00 -0.77 0.00 0.00 57.85 60.62 1f55 n ARG 74 Cb 0.58 -4.02 0.00 0.00 -1.02 0.00 0.00 32.46 27.99 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 0.51 0.00 -0.66 5.56 7.27 -1.26 -5.11 117.38 123.68 1f55 n GLN 75 Ca 0.00 0.00 -0.23 0.00 0.07 0.00 0.00 57.00 56.84 1f55 n GLN 75 Cb 0.00 0.00 0.12 0.00 2.41 0.00 0.00 30.24 32.77 1f55 n GLN 75 CO 0.00 0.00 0.00 1.47 0.07 0.00 0.00 177.06 178.60 1f55 n LEU 76 N -2.96 -1.94 -0.53 1.69 -0.00 -1.26 -5.25 117.00 106.75 1f55 n LEU 76 Ca 0.00 -0.22 0.07 0.00 -0.00 0.00 0.00 56.01 55.86 1f55 n LEU 76 Cb 0.00 -0.73 0.06 0.00 -0.00 0.00 0.00 43.42 42.74 1f55 n LEU 76 CO 0.00 -2.93 0.46 0.29 -0.00 0.00 0.00 177.39 175.21