#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f55 s SER 2 N 0.00 -0.34 -0.07 4.04 1.04 -1.26 -5.16 113.70 111.96 1f55 s SER 2 Ca 0.00 -0.16 0.03 0.00 0.48 0.00 0.00 55.95 56.30 1f55 s SER 2 Cb 0.00 0.47 0.01 0.00 0.10 0.00 0.00 66.02 66.60 1f55 s SER 2 CO 0.00 -0.81 -0.16 0.20 0.98 0.00 0.00 173.24 173.45 1f55 s ASN 3 N -2.69 2.17 0.00 7.02 0.01 -1.26 -5.11 114.94 115.07 1f55 s ASN 3 Ca 0.07 -0.37 0.00 0.00 -0.71 0.00 0.00 52.86 51.85 1f55 s ASN 3 Cb -0.01 -0.90 0.00 0.00 0.41 0.00 0.00 41.25 40.75 1f55 s ASN 3 CO -0.05 0.09 0.00 0.18 -1.51 0.00 0.00 177.10 175.81 1f55 n LEU 4 N 3.57 0.00 0.00 0.60 4.77 -1.26 -4.32 117.00 120.36 1f55 n LEU 4 Ca -0.21 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.77 1f55 n LEU 4 Cb 0.52 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 1f55 n LEU 4 CO 0.26 0.00 0.00 0.35 -1.33 0.00 0.00 177.39 176.67 1f55 n THR 5 N 0.00 0.00 -0.42 -5.08 -2.24 -1.26 -1.23 114.28 104.05 1f55 n THR 5 Ca 0.00 0.00 0.34 0.00 -2.27 0.00 0.00 64.05 62.12 1f55 n THR 5 Cb 0.00 0.00 0.64 0.00 -2.10 0.00 0.00 70.33 68.87 1f55 n THR 5 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1f55 h GLU 6 N 0.00 0.14 -0.11 -0.78 5.08 -1.96 0.86 114.58 117.81 1f55 h GLU 6 Ca 0.00 -0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.38 1f55 h GLU 6 Cb 0.00 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.19 1f55 h GLU 6 CO 0.00 0.09 -0.08 1.49 -1.00 0.00 0.00 179.01 179.51 1f55 h GLU 7 N 0.15 -0.09 -0.10 2.33 4.57 -1.42 1.03 114.58 121.05 1f55 h GLU 7 Ca 0.75 0.01 -0.07 0.00 -1.18 0.00 0.00 59.36 58.87 1f55 h GLU 7 Cb 2.37 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 30.98 1f55 h GLU 7 CO -0.32 -0.06 -0.21 -0.56 -1.18 0.00 0.00 179.01 176.67 1f55 h GLN 8 N -0.09 0.32 0.13 1.92 3.07 0.95 -2.68 115.11 118.73 1f55 h GLN 8 Ca 0.07 -0.21 -0.01 0.00 0.09 0.00 0.00 58.65 58.60 1f55 h GLN 8 Cb 0.20 0.03 -0.00 0.00 0.08 0.00 0.00 27.48 27.78 1f55 h GLN 8 CO -0.17 0.81 -0.10 0.82 0.09 0.00 0.00 178.83 180.29 1f55 h ILE 9 N -0.13 0.00 -0.98 1.86 2.04 -0.02 0.35 117.51 120.63 1f55 h ILE 9 Ca 0.00 0.00 0.24 0.00 1.00 0.00 0.00 64.86 66.10 1f55 h ILE 9 Cb 0.81 0.00 -0.18 0.00 -0.74 0.00 0.00 36.82 36.71 1f55 h ILE 9 CO 0.05 0.00 -0.07 0.00 0.00 0.00 0.00 178.15 178.13 1f55 h ALA 10 N -1.69 0.97 -0.48 1.87 0.00 0.99 1.10 119.26 122.02 1f55 h ALA 10 Ca -0.02 0.35 -0.01 0.00 0.00 0.00 0.00 54.91 55.24 1f55 h ALA 10 Cb 0.18 0.64 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 1f55 h ALA 10 CO 0.01 -0.50 0.27 0.93 0.00 0.00 0.00 179.25 179.95 1f55 h GLU 11 N 0.01 0.67 -0.17 0.00 3.07 -1.12 -2.74 114.58 114.30 1f55 h GLU 11 Ca 0.55 -0.08 -0.00 0.00 -0.50 0.00 0.00 59.36 59.33 1f55 h GLU 11 Cb 1.03 -0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 28.80 1f55 h GLU 11 CO -0.95 0.52 0.09 0.74 -1.40 0.00 0.00 179.01 178.02 1f55 h PHE 12 N 0.64 0.24 -0.73 4.33 0.04 0.52 -2.68 116.94 119.29 1f55 h PHE 12 Ca 0.17 -0.01 0.11 0.00 2.80 0.00 0.00 57.97 61.04 1f55 h PHE 12 Cb 0.05 -0.08 -0.12 0.00 2.20 0.00 0.00 35.95 38.00 1f55 h PHE 12 CO -0.02 0.24 -0.43 0.87 -0.60 0.00 0.00 178.31 178.37 1f55 h LYS 13 N 0.17 -0.13 -0.74 1.51 1.57 -0.02 1.09 116.57 120.02 1f55 h LYS 13 Ca 0.06 0.01 0.13 0.00 -1.87 0.00 0.00 60.65 58.98 1f55 h LYS 13 Cb 0.08 0.03 -0.09 0.00 0.08 0.00 0.00 32.23 32.33 1f55 h LYS 13 CO -0.01 -0.09 0.31 1.49 -0.57 0.00 0.00 179.45 180.59 1f55 h GLU 14 N -0.14 0.46 0.06 3.15 4.57 -1.29 -1.35 114.58 120.04 1f55 h GLU 14 Ca 0.23 -0.03 -0.00 0.00 -1.18 0.00 0.00 59.36 58.38 1f55 h GLU 14 Cb 0.55 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 29.04 1f55 h GLU 14 CO -0.79 0.31 -0.03 0.00 -1.18 0.00 0.00 179.01 177.32 1f55 h ALA 15 N 1.52 -0.08 -0.32 2.92 0.00 0.86 -2.80 119.26 121.37 1f55 h ALA 15 Ca 0.40 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 55.22 1f55 h ALA 15 Cb 0.57 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.33 1f55 h ALA 15 CO -0.37 -0.42 -0.40 0.35 0.00 0.00 0.00 179.25 178.40 1f55 h PHE 16 N -0.31 -1.24 -0.83 0.00 3.57 0.19 0.75 116.94 119.07 1f55 h PHE 16 Ca -0.01 0.06 0.17 0.00 3.53 0.00 0.00 57.97 61.72 1f55 h PHE 16 Cb 0.28 0.58 -0.16 0.00 2.79 0.00 0.00 35.95 39.44 1f55 h PHE 16 CO 0.01 -0.35 -0.17 0.00 -2.23 0.00 0.00 178.31 175.56 1f55 h ALA 17 N -0.37 0.60 -1.16 2.41 0.00 -1.34 1.40 119.26 120.80 1f55 h ALA 17 Ca 0.06 0.32 0.33 0.00 0.00 0.00 0.00 54.91 55.61 1f55 h ALA 17 Cb 0.42 0.61 -0.10 0.00 0.00 0.00 0.00 17.79 18.72 1f55 h ALA 17 CO -0.44 -0.41 0.76 -0.07 0.00 0.00 0.00 179.25 179.08 1f55 h LEU 18 N 0.01 0.33 -0.01 0.00 4.07 -0.58 0.13 115.31 119.26 1f55 h LEU 18 Ca 0.41 0.09 -0.04 0.00 0.08 0.00 0.00 57.88 58.42 1f55 h LEU 18 Cb 0.65 0.05 0.00 0.00 1.08 0.00 0.00 40.66 42.44 1f55 h LEU 18 CO -0.84 -0.01 -0.15 -0.26 -1.08 0.00 0.00 178.44 176.10 1f55 h PHE 19 N 0.25 0.17 -4.09 1.13 0.04 0.23 -3.42 116.94 111.25 1f55 h PHE 19 Ca 0.67 -0.09 -0.49 0.00 2.80 0.00 0.00 57.97 60.87 1f55 h PHE 19 Cb 1.96 -0.02 0.05 0.00 2.20 0.00 0.00 35.95 40.14 1f55 h PHE 19 CO -0.00 0.84 0.40 0.34 -0.60 0.00 0.00 178.31 179.29 1f55 s ASP 20 N -6.16 6.01 0.00 2.17 2.15 0.47 -3.56 116.67 117.74 1f55 s ASP 20 Ca -0.16 2.02 0.06 0.00 0.43 0.00 0.00 52.55 54.90 1f55 s ASP 20 Cb 0.01 -2.57 0.16 0.00 -0.30 0.00 0.00 42.92 40.22 1f55 s ASP 20 CO 0.72 -1.02 1.07 0.29 -0.17 0.00 0.00 175.17 176.06 1f55 n LYS 21 N -1.24 2.37 0.00 4.34 4.76 -1.26 -4.56 118.16 122.58 1f55 n LYS 21 Ca 0.10 -1.65 0.00 0.00 -2.87 0.00 0.00 58.31 53.89 1f55 n LYS 21 Cb 0.52 -1.15 0.00 0.00 -1.84 0.00 0.00 35.03 32.56 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 0.14 0.08 -1.36 4.39 8.00 -1.26 -5.00 116.55 121.54 1f55 n ASP 22 Ca 0.06 -0.41 -0.17 0.00 0.71 0.00 0.00 54.79 54.98 1f55 n ASP 22 Cb 0.32 0.58 -0.06 0.00 -0.02 0.00 0.00 41.12 41.94 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 -0.58 -4.99 -0.39 -2.24 5.03 -1.26 -4.83 115.26 106.00 1f55 n ASN 23 Ca 0.00 0.35 0.01 0.00 0.87 0.00 0.00 54.58 55.81 1f55 n ASN 23 Cb 0.01 -3.97 0.05 0.00 -1.02 0.00 0.00 39.78 34.85 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 -0.75 0.98 0.00 6.41 5.03 -1.26 -4.80 115.26 120.87 1f55 n ASN 24 Ca -0.17 -2.05 0.00 0.00 0.87 0.00 0.00 54.58 53.23 1f55 n ASN 24 Cb 0.56 -0.26 0.00 0.00 -1.02 0.00 0.00 39.78 39.06 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 0.41 0.30 2.97 7.41 0.00 -1.26 -4.97 105.19 110.05 1f55 n GLY 25 Ca 0.03 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.06 0.55 -0.16 1.61 0.15 -1.26 -2.53 113.70 110.00 1f55 s SER 26 Ca 0.00 -0.20 -0.00 0.00 0.70 0.00 0.00 55.95 56.45 1f55 s SER 26 Cb 0.00 -0.03 -0.01 0.00 -1.71 0.00 0.00 66.02 64.28 1f55 s SER 26 CO 0.00 -0.02 -0.13 -0.63 1.20 0.00 0.00 173.24 173.66 1f55 s ILE 27 N -0.44 2.89 0.00 6.45 1.01 0.26 -4.74 121.20 126.62 1f55 s ILE 27 Ca -0.02 -0.70 0.00 0.00 0.00 0.00 0.00 60.65 59.94 1f55 s ILE 27 Cb -0.04 -2.23 0.00 0.00 0.01 0.00 0.00 42.46 40.20 1f55 s ILE 27 CO -0.00 0.51 0.00 -1.20 0.00 0.00 0.00 174.94 174.25 1f55 n SER 28 N 3.98 0.00 0.10 3.58 7.64 -1.26 -0.99 113.62 126.66 1f55 n SER 28 Ca -0.19 -0.92 -0.04 0.00 1.01 0.00 0.00 58.87 58.73 1f55 n SER 28 Cb 0.52 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.70 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 -0.22 0.00 6.43 0.02 -1.91 -2.61 113.55 115.26 1f55 h SER 29 Ca 0.00 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 1f55 h SER 29 Cb 0.00 0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.60 1f55 h SER 29 CO 0.00 -0.12 0.00 0.28 -1.14 0.00 0.00 176.83 175.85 1f55 h SER 30 N -0.33 0.00 -0.09 3.07 0.02 -1.94 -2.14 113.55 112.15 1f55 h SER 30 Ca -0.03 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.86 1f55 h SER 30 Cb 0.20 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.74 1f55 h SER 30 CO 0.04 0.00 -0.21 -0.33 -1.14 0.00 0.00 176.83 175.19 1f55 h GLU 31 N 0.00 0.30 0.00 3.45 5.08 -1.80 -1.43 114.58 120.17 1f55 h GLU 31 Ca 0.00 -0.20 -0.08 0.00 -1.00 0.00 0.00 59.36 58.08 1f55 h GLU 31 Cb 0.00 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 1f55 h GLU 31 CO 0.00 0.81 -0.36 -0.07 -1.00 0.00 0.00 179.01 178.39 1f55 h LEU 32 N -0.17 0.00 0.00 1.33 3.38 -1.02 -3.12 115.31 115.71 1f55 h LEU 32 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1f55 h LEU 32 Cb 0.82 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.57 1f55 h LEU 32 CO 0.05 0.36 -0.34 0.00 0.09 0.00 0.00 178.44 178.60 1f55 h ALA 33 N 1.64 0.83 -0.00 1.53 0.00 -1.45 -3.21 119.26 118.60 1f55 h ALA 33 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1f55 h ALA 33 Cb 1.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1f55 h ALA 33 CO 0.05 0.03 -0.05 -2.37 0.00 0.00 0.00 179.25 176.91 1f55 n THR 34 N -2.97 0.00 1.03 0.00 5.66 -0.54 -2.08 114.28 115.38 1f55 n THR 34 Ca 0.03 -0.04 0.11 0.00 -3.05 0.00 0.00 64.05 61.10 1f55 n THR 34 Cb 0.55 -0.28 0.05 0.00 -1.55 0.00 0.00 70.33 69.09 1f55 n THR 34 CO 0.00 0.00 0.00 0.55 -3.05 0.00 0.00 175.07 172.57 1f55 n VAL 35 N -1.03 0.00 0.00 1.08 3.14 -1.21 -4.33 118.33 115.98 1f55 n VAL 35 Ca 0.16 -0.10 0.00 0.00 -2.96 0.00 0.00 64.34 61.45 1f55 n VAL 35 Cb 0.24 0.87 0.00 0.00 -1.06 0.00 0.00 33.84 33.89 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 -0.93 1.90 0.11 1.45 2.81 -1.19 -4.58 117.12 116.69 1f55 n MET 36 Ca 0.07 0.00 0.01 0.00 -1.81 0.00 0.00 57.70 55.97 1f55 n MET 36 Cb 0.38 -0.94 0.34 0.00 -0.71 0.00 0.00 33.22 32.29 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 0.23 -0.01 0.03 3.08 -1.58 -2.55 114.38 113.58 1f55 h ARG 37 Ca 0.00 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 59.96 1f55 h ARG 37 Cb 0.36 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.39 1f55 h ARG 37 CO 0.00 0.45 -0.09 0.77 -1.07 0.00 0.00 179.97 180.04 1f55 h SER 38 N 0.21 0.09 0.34 7.04 0.02 -1.82 -3.31 113.55 116.12 1f55 h SER 38 Ca 0.04 -0.73 -0.01 0.00 -0.84 0.00 0.00 61.79 60.25 1f55 h SER 38 Cb 0.53 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 63.02 1f55 h SER 38 CO 0.04 0.81 -0.41 -0.07 -1.14 0.00 0.00 176.83 176.06 1f55 h LEU 39 N -0.63 -1.14 0.00 5.07 -0.00 -1.79 -3.44 115.31 113.39 1f55 h LEU 39 Ca -0.01 0.10 0.00 0.00 -0.00 0.00 0.00 57.88 57.97 1f55 h LEU 39 Cb 0.81 0.38 0.00 0.00 -0.00 0.00 0.00 40.66 41.86 1f55 h LEU 39 CO 0.02 -0.52 0.00 0.61 -0.00 0.00 0.00 178.44 178.55 1f55 n GLY 40 N -1.44 -1.96 3.75 0.83 0.00 -1.00 -5.14 105.19 100.24 1f55 n GLY 40 Ca -0.09 0.93 -0.03 0.00 0.00 0.00 0.00 46.02 46.83 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 -0.17 -0.47 0.99 2.96 -1.00 -4.95 118.68 116.03 1f55 s LEU 41 Ca 0.00 -0.39 0.06 0.00 -0.22 0.00 0.00 54.13 53.57 1f55 s LEU 41 Cb 0.00 2.14 0.28 0.00 0.50 0.00 0.00 46.19 49.10 1f55 s LEU 41 CO 0.00 -0.88 1.02 -0.24 -1.32 0.00 0.00 176.35 174.93 1f55 n SER 42 N -0.47 -2.55 -4.71 3.68 2.88 -1.26 -4.15 113.62 107.05 1f55 n SER 42 Ca -0.06 -3.39 -0.42 0.00 -1.33 0.00 0.00 58.87 53.67 1f55 n SER 42 Cb 0.61 1.82 -0.03 0.00 -0.75 0.00 0.00 64.21 65.86 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 0.47 4.43 0.79 -1.46 0.04 -1.26 -5.03 135.00 132.98 1f55 s PRO 43 Ca 0.27 1.69 -0.11 0.00 0.04 0.00 0.00 61.00 62.89 1f55 s PRO 43 Cb 0.26 -3.42 0.07 0.00 0.04 0.00 0.00 34.50 31.44 1f55 s PRO 43 CO -0.15 -0.28 1.10 -1.12 0.04 0.00 0.00 177.00 176.58 1f55 s SER 44 N 1.17 4.53 0.27 6.66 0.01 -1.26 -4.33 113.70 120.74 1f55 s SER 44 Ca 0.57 1.31 0.09 0.00 1.31 0.00 0.00 55.95 59.23 1f55 s SER 44 Cb -0.27 -2.05 0.84 0.00 0.21 0.00 0.00 66.02 64.75 1f55 s SER 44 CO 0.27 -1.95 1.23 1.21 0.41 0.00 0.00 173.24 174.41 1f55 n GLU 45 N -3.42 -0.05 -0.00 12.44 4.07 -1.26 0.39 120.64 132.80 1f55 n GLU 45 Ca 0.07 1.12 -0.13 0.00 -0.06 0.00 0.00 57.16 58.16 1f55 n GLU 45 Cb 0.56 -1.90 -0.07 0.00 -0.06 0.00 0.00 31.44 29.97 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 1.56 -0.65 -0.05 4.31 0.00 -1.98 0.73 119.26 123.19 1f55 h ALA 46 Ca 0.57 -0.02 -0.18 0.00 0.00 0.00 0.00 54.91 55.28 1f55 h ALA 46 Cb 1.38 0.83 -0.01 0.00 0.00 0.00 0.00 17.79 19.99 1f55 h ALA 46 CO -0.67 -0.96 -0.77 0.93 0.00 0.00 0.00 179.25 177.79 1f55 h GLU 47 N -0.51 0.32 0.16 0.00 4.39 -0.37 -2.22 114.58 116.34 1f55 h GLU 47 Ca 0.07 -0.28 -0.01 0.00 0.34 0.00 0.00 59.36 59.48 1f55 h GLU 47 Cb 0.64 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.36 1f55 h GLU 47 CO -0.40 0.94 -0.08 0.28 -1.16 0.00 0.00 179.01 178.59 1f55 h VAL 48 N 0.21 0.00 -0.93 3.13 2.07 0.29 -0.30 116.25 120.72 1f55 h VAL 48 Ca -0.03 -0.02 0.21 0.00 0.82 0.00 0.00 66.70 67.68 1f55 h VAL 48 Cb 1.35 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 31.05 1f55 h VAL 48 CO 0.12 0.00 0.61 -1.13 0.02 0.00 0.00 177.57 177.20 1f55 h ASN 49 N -0.24 0.40 -0.31 0.57 -0.73 0.31 0.08 115.58 115.67 1f55 h ASN 49 Ca -0.02 0.05 -0.02 0.00 1.87 0.00 0.00 56.30 58.18 1f55 h ASN 49 Cb 0.16 -0.03 -0.01 0.00 0.27 0.00 0.00 38.32 38.71 1f55 h ASN 49 CO 0.04 0.15 0.12 0.44 -0.37 0.00 0.00 177.43 177.81 1f55 h ASP 50 N 0.40 0.43 -0.17 1.15 5.19 -1.23 -2.50 116.42 119.68 1f55 h ASP 50 Ca 0.49 -0.17 0.04 0.00 -0.62 0.00 0.00 57.03 56.77 1f55 h ASP 50 Cb 1.23 -0.11 -0.04 0.00 0.18 0.00 0.00 39.33 40.59 1f55 h ASP 50 CO -0.19 0.47 -0.08 0.25 -3.12 0.00 0.00 179.24 176.57 1f55 h LEU 51 N 0.35 -0.27 0.16 1.55 5.85 0.84 0.25 115.31 124.04 1f55 h LEU 51 Ca 0.10 0.07 0.01 0.00 0.84 0.00 0.00 57.88 58.90 1f55 h LEU 51 Cb 0.18 0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.32 1f55 h LEU 51 CO -0.01 -0.11 -0.47 -0.03 -0.34 0.00 0.00 178.44 177.49 1f55 h MET 52 N -0.06 -0.70 -0.86 1.25 4.05 -1.34 -1.81 114.93 115.46 1f55 h MET 52 Ca 0.10 0.05 0.06 0.00 -0.28 0.00 0.00 59.70 59.63 1f55 h MET 52 Cb 0.20 0.16 -0.06 0.00 -0.80 0.00 0.00 31.60 31.10 1f55 h MET 52 CO -0.22 -0.47 0.53 -0.91 0.23 0.00 0.00 176.91 176.08 1f55 h ASN 53 N -0.73 0.83 -0.45 1.39 4.21 -1.17 -0.10 115.58 119.56 1f55 h ASN 53 Ca 0.00 0.02 0.04 0.00 1.21 0.00 0.00 56.30 57.58 1f55 h ASN 53 Cb 0.73 -0.15 -0.06 0.00 -1.12 0.00 0.00 38.32 37.71 1f55 h ASN 53 CO -0.24 0.53 -0.37 -0.08 -1.29 0.00 0.00 177.43 175.98 1f55 h GLU 54 N 0.96 -0.13 0.00 0.81 4.81 0.37 0.62 114.58 122.02 1f55 h GLU 54 Ca 0.38 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.62 1f55 h GLU 54 Cb 0.19 0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.60 1f55 h GLU 54 CO -0.18 -0.09 0.00 0.44 -0.73 0.00 0.00 179.01 178.46 1f55 n ILE 55 N -4.44 0.06 -1.55 2.32 -5.35 -1.08 -4.83 119.36 104.49 1f55 n ILE 55 Ca -0.01 0.01 -0.29 0.00 -0.27 0.00 0.00 62.75 62.20 1f55 n ILE 55 Cb 0.19 -0.55 0.15 0.00 -1.74 0.00 0.00 39.64 37.70 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 -2.41 3.18 0.00 7.28 2.15 0.22 -3.97 116.67 123.12 1f55 s ASP 56 Ca 0.32 0.82 0.00 0.00 0.43 0.00 0.00 52.55 54.11 1f55 s ASP 56 Cb 0.19 -1.27 0.00 0.00 -0.30 0.00 0.00 42.92 41.54 1f55 s ASP 56 CO 0.40 -2.74 0.00 1.33 -0.17 0.00 0.00 175.17 173.99 1f55 n VAL 57 N -3.87 0.00 0.98 1.11 0.24 -1.26 -4.83 118.33 110.70 1f55 n VAL 57 Ca 0.09 0.00 0.11 0.00 -2.04 0.00 0.00 64.34 62.50 1f55 n VAL 57 Cb 0.59 -0.06 0.05 0.00 -1.47 0.00 0.00 33.84 32.95 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 -1.11 2.48 -3.10 -1.34 5.75 -1.26 -5.00 116.55 112.96 1f55 n ASP 58 Ca 0.00 -1.74 -0.02 0.00 -0.01 0.00 0.00 54.79 53.02 1f55 n ASP 58 Cb 0.04 0.24 0.00 0.00 -1.03 0.00 0.00 41.12 40.37 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 1.36 -1.24 1.41 6.12 0.00 -1.26 -4.95 105.19 106.63 1f55 n GLY 59 Ca 0.11 0.48 -0.06 0.00 0.00 0.00 0.00 46.02 46.55 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 -1.87 2.85 -0.12 1.61 6.94 -1.26 -4.92 115.26 118.51 1f55 n ASN 60 Ca -0.02 -3.51 -0.02 0.00 -0.02 0.00 0.00 54.58 51.02 1f55 n ASN 60 Cb 0.51 -0.43 -0.01 0.00 -2.36 0.00 0.00 39.78 37.50 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 -0.77 0.00 -3.60 -2.53 8.25 -1.26 -4.87 115.22 110.44 1f55 n HIS 61 Ca 0.26 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.68 1f55 n HIS 61 Cb 0.85 -1.77 -0.02 0.00 1.12 0.00 0.00 29.99 30.17 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 -1.81 0.72 0.15 -0.41 -2.07 -1.26 -3.41 119.66 111.58 1f55 s GLN 62 Ca 0.00 -0.33 0.05 0.00 -1.82 0.00 0.00 55.36 53.26 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 -0.32 -0.11 0.96 -1.32 0.00 0.00 175.29 174.50 1f55 s ILE 63 N -2.89 1.21 0.29 3.63 -5.25 -0.16 -4.78 121.20 113.24 1f55 s ILE 63 Ca 0.09 -2.06 0.07 0.00 -0.99 0.00 0.00 60.65 57.77 1f55 s ILE 63 Cb -0.00 -1.84 -0.03 0.00 2.95 0.00 0.00 42.46 43.53 1f55 s ILE 63 CO -0.05 -0.73 0.24 -1.61 -1.79 0.00 0.00 174.94 171.01 1f55 s GLU 64 N -3.70 2.85 0.00 0.37 2.02 -1.26 0.91 118.70 119.89 1f55 s GLU 64 Ca 0.17 -1.15 0.00 0.00 0.02 0.00 0.00 54.97 54.01 1f55 s GLU 64 Cb 0.02 -2.53 0.00 0.00 0.10 0.00 0.00 34.13 31.72 1f55 s GLU 64 CO 0.01 0.28 0.96 0.34 0.02 0.00 0.00 175.26 176.87 1f55 n PHE 65 N -1.26 0.00 -0.24 1.61 7.35 -1.05 -0.61 117.46 123.26 1f55 n PHE 65 Ca -0.05 0.00 0.19 0.00 -0.76 0.00 0.00 57.45 56.83 1f55 n PHE 65 Cb 0.59 -0.46 0.36 0.00 0.35 0.00 0.00 39.48 40.31 1f55 n PHE 65 CO 0.00 0.00 0.00 -1.13 -0.76 0.00 0.00 176.76 174.87 1f55 n SER 66 N -2.65 0.14 -0.11 -2.13 3.41 -1.26 0.26 113.62 111.29 1f55 n SER 66 Ca 0.00 1.23 -0.10 0.00 -0.26 0.00 0.00 58.87 59.74 1f55 n SER 66 Cb 0.00 -0.55 -0.03 0.00 -0.26 0.00 0.00 64.21 63.37 1f55 n SER 66 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1f55 h GLU 67 N 0.00 0.54 -0.63 4.33 5.08 -1.15 -1.35 114.58 121.40 1f55 h GLU 67 Ca 0.57 -0.15 0.14 0.00 -1.00 0.00 0.00 59.36 58.92 1f55 h GLU 67 Cb 1.41 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 30.57 1f55 h GLU 67 CO -0.61 0.64 0.43 0.35 -1.00 0.00 0.00 179.01 178.82 1f55 h PHE 68 N 0.36 0.27 0.07 4.33 3.57 0.49 -1.70 116.94 124.32 1f55 h PHE 68 Ca 0.10 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.60 1f55 h PHE 68 Cb 0.37 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 39.03 1f55 h PHE 68 CO 0.03 0.11 -0.03 -0.07 -2.23 0.00 0.00 178.31 176.11 1f55 h LEU 69 N 0.23 -0.08 -0.97 0.59 -0.00 -0.52 0.13 115.31 114.70 1f55 h LEU 69 Ca 0.30 -0.50 0.31 0.00 -0.00 0.00 0.00 57.88 57.99 1f55 h LEU 69 Cb 0.86 0.02 -0.16 0.00 -0.00 0.00 0.00 40.66 41.38 1f55 h LEU 69 CO -0.06 0.50 0.40 0.00 -0.00 0.00 0.00 178.44 179.28 1f55 h ALA 70 N 0.10 1.71 0.01 1.53 0.00 -0.35 0.48 119.26 122.74 1f55 h ALA 70 Ca -0.01 0.23 -0.26 0.00 0.00 0.00 0.00 54.91 54.88 1f55 h ALA 70 Cb 0.58 0.29 -0.04 0.00 0.00 0.00 0.00 17.79 18.62 1f55 h ALA 70 CO 0.02 -0.62 -1.39 1.25 0.00 0.00 0.00 179.25 178.51 1f55 h LEU 71 N 0.19 0.04 0.00 0.00 5.85 -1.46 -3.41 115.31 116.52 1f55 h LEU 71 Ca 0.69 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 59.35 1f55 h LEU 71 Cb 1.58 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.59 1f55 h LEU 71 CO -0.69 1.05 0.00 0.23 -0.34 0.00 0.00 178.44 178.69 1f55 n MET 72 N -3.22 0.00 -2.75 1.25 2.81 0.16 -4.74 117.12 110.63 1f55 n MET 72 Ca -0.10 0.00 -0.35 0.00 -1.81 0.00 0.00 57.70 55.44 1f55 n MET 72 Cb 1.00 -0.90 -0.06 0.00 -0.71 0.00 0.00 33.22 32.55 1f55 n MET 72 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 1f55 s SER 73 N -1.89 7.06 0.38 7.83 1.04 -0.80 -5.06 113.70 122.25 1f55 s SER 73 Ca 0.00 1.81 0.02 0.00 0.48 0.00 0.00 55.95 58.26 1f55 s SER 73 Cb 0.00 -2.56 0.02 0.00 0.10 0.00 0.00 66.02 63.57 1f55 s SER 73 CO 0.00 -0.27 0.15 0.54 0.98 0.00 0.00 173.24 174.64 1f55 n ARG 74 N -0.05 1.01 -0.04 4.02 1.74 -1.26 -4.69 116.66 117.39 1f55 n ARG 74 Ca 0.05 -2.56 -0.10 0.00 -0.77 0.00 0.00 57.85 54.47 1f55 n ARG 74 Cb 0.52 0.48 -0.09 0.00 -1.02 0.00 0.00 32.46 32.34 1f55 n ARG 74 CO 0.00 0.00 0.00 0.37 -1.52 0.00 0.00 177.63 176.48 1f55 h GLN 75 N 0.00 -0.04 -3.75 5.56 4.15 -1.97 -3.50 115.11 115.56 1f55 h GLN 75 Ca -0.27 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.15 1f55 h GLN 75 Cb 0.91 0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.61 1f55 h GLN 75 CO 0.44 0.62 -0.94 1.28 -1.93 0.00 0.00 178.83 178.30 1f55 n LEU 76 N -4.72 -2.03 0.00 -2.39 4.32 -1.26 -5.29 117.00 105.63 1f55 n LEU 76 Ca -0.07 3.01 0.00 0.00 -0.02 0.00 0.00 56.01 58.93 1f55 n LEU 76 Cb 0.32 -3.09 0.00 0.00 -1.62 0.00 0.00 43.42 39.04 1f55 n LEU 76 CO 0.25 -0.05 0.00 2.29 -1.22 0.00 0.00 177.39 178.66