#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fzm s GLN 2 N 0.00 0.73 -0.06 6.28 0.74 -1.26 -4.14 119.66 121.96 1fzm s GLN 2 Ca 0.00 0.02 0.02 0.00 0.05 0.00 0.00 55.36 55.45 1fzm s GLN 2 Cb 0.00 -0.97 0.01 0.00 1.10 0.00 0.00 33.01 33.15 1fzm s GLN 2 CO 0.00 -0.23 -0.12 0.15 -0.55 0.00 0.00 175.29 174.54 1fzm s LYS 3 N 1.63 1.56 0.16 1.67 1.02 0.57 -4.94 119.74 121.41 1fzm s LYS 3 Ca 0.00 -0.41 -0.30 0.00 0.02 0.00 0.00 55.97 55.28 1fzm s LYS 3 Cb -0.13 -1.32 -0.07 0.00 -0.52 0.00 0.00 37.83 35.79 1fzm s LYS 3 CO -0.04 0.06 1.09 0.99 -0.92 0.00 0.00 175.35 176.53 1fzm s THR 4 N 0.53 3.95 0.46 2.17 2.01 -1.26 -2.45 115.64 121.04 1fzm s THR 4 Ca -0.11 1.66 -0.23 0.00 0.31 0.00 0.00 61.69 63.31 1fzm s THR 4 Cb -0.14 -4.06 -0.07 0.00 0.01 0.00 0.00 72.50 68.24 1fzm s THR 4 CO 0.03 0.27 1.15 -2.16 -0.69 0.00 0.00 174.62 173.22 1fzm s PRO 5 N -0.24 3.77 -0.17 4.92 0.04 -1.26 -4.58 135.00 137.49 1fzm s PRO 5 Ca 0.50 1.73 -0.13 0.00 0.04 0.00 0.00 61.00 63.14 1fzm s PRO 5 Cb -0.29 -2.39 -0.05 0.00 0.04 0.00 0.00 34.50 31.82 1fzm s PRO 5 CO 0.34 -0.53 0.24 -0.65 0.04 0.00 0.00 177.00 176.44 1fzm s GLN 6 N -2.73 4.22 -0.21 4.56 -1.52 0.28 -4.91 119.66 119.35 1fzm s GLN 6 Ca 0.64 -0.00 -0.02 0.00 -1.95 0.00 0.00 55.36 54.03 1fzm s GLN 6 Cb -0.27 -3.42 0.01 0.00 -0.22 0.00 0.00 33.01 29.11 1fzm s GLN 6 CO 0.33 0.27 -0.11 0.42 -0.25 0.00 0.00 175.29 175.95 1fzm s ILE 7 N 0.40 2.77 -0.14 1.08 1.01 -1.26 -1.11 121.20 123.95 1fzm s ILE 7 Ca 0.14 -0.75 0.02 0.00 0.00 0.00 0.00 60.65 60.06 1fzm s ILE 7 Cb -0.12 -2.26 0.01 0.00 0.01 0.00 0.00 42.46 40.10 1fzm s ILE 7 CO 0.02 0.43 -0.21 -1.10 0.00 0.00 0.00 174.94 174.09 1fzm s GLN 8 N 1.38 3.06 -0.13 2.79 -0.21 -0.37 -4.99 119.66 121.19 1fzm s GLN 8 Ca 0.05 -0.84 0.00 0.00 0.02 0.00 0.00 55.36 54.59 1fzm s GLN 8 Cb -0.14 -2.45 -0.01 0.00 1.00 0.00 0.00 33.01 31.40 1fzm s GLN 8 CO -0.07 0.02 -0.14 0.08 -2.12 0.00 0.00 175.29 173.06 1fzm s VAL 9 N 0.74 2.93 -0.00 1.09 1.01 -1.26 -0.57 120.40 124.34 1fzm s VAL 9 Ca -0.08 -0.70 -0.28 0.00 0.00 0.00 0.00 61.98 60.91 1fzm s VAL 9 Cb -0.16 -2.22 0.09 0.00 0.00 0.00 0.00 36.38 34.09 1fzm s VAL 9 CO 0.00 0.53 0.77 -0.72 0.00 0.00 0.00 175.10 175.68 1fzm s TYR 10 N 0.37 -0.49 0.25 5.22 1.13 -0.53 -4.72 117.35 118.58 1fzm s TYR 10 Ca -0.12 0.57 0.05 0.00 -1.41 0.00 0.00 57.07 56.16 1fzm s TYR 10 Cb -0.16 0.49 -0.03 0.00 -1.10 0.00 0.00 41.96 41.16 1fzm s TYR 10 CO 0.06 -0.61 0.37 -1.54 -2.51 0.00 0.00 175.55 171.32 1fzm s SER 11 N -1.95 6.31 0.07 -0.18 1.04 -1.26 0.31 113.70 118.04 1fzm s SER 11 Ca -0.02 0.09 -0.18 0.00 0.48 0.00 0.00 55.95 56.32 1fzm s SER 11 Cb -0.01 -1.86 -0.11 0.00 0.10 0.00 0.00 66.02 64.14 1fzm s SER 11 CO -0.03 -0.09 1.40 -0.09 0.98 0.00 0.00 173.24 175.41 1fzm h ARG 12 N 1.14 0.48 -6.32 4.02 9.65 -1.44 -3.46 114.38 118.45 1fzm h ARG 12 Ca -0.52 -0.23 -0.60 0.00 -1.10 0.00 0.00 59.98 57.53 1fzm h ARG 12 Cb 1.23 -0.00 -0.12 0.00 -1.39 0.00 0.00 29.97 29.68 1fzm h ARG 12 CO 0.61 0.79 -0.70 -1.01 2.80 0.00 0.00 179.97 182.46 1fzm s HIS 13 N -4.46 2.59 0.24 2.20 3.76 -1.26 -5.04 115.29 113.32 1fzm s HIS 13 Ca -0.13 -0.25 -0.31 0.00 -0.15 0.00 0.00 55.06 54.22 1fzm s HIS 13 Cb 0.07 -1.20 -0.12 0.00 1.11 0.00 0.00 32.58 32.45 1fzm s HIS 13 CO 0.77 0.59 1.66 -2.14 -0.85 0.00 0.00 174.74 174.77 1fzm s PRO 14 N -3.26 4.13 0.15 8.40 0.02 -1.26 -4.85 135.00 138.34 1fzm s PRO 14 Ca 0.28 2.58 -0.31 0.00 0.02 0.00 0.00 61.00 63.56 1fzm s PRO 14 Cb -0.07 -3.06 -0.11 0.00 0.02 0.00 0.00 34.50 31.28 1fzm s PRO 14 CO 0.17 -0.69 1.82 -1.25 -0.33 0.00 0.00 177.00 176.71 1fzm s PRO 15 N 0.48 4.13 -0.09 5.54 0.04 -1.26 -5.00 135.00 138.83 1fzm s PRO 15 Ca 0.70 2.62 -0.02 0.00 0.04 0.00 0.00 61.00 64.34 1fzm s PRO 15 Cb -0.48 -3.46 0.03 0.00 0.04 0.00 0.00 34.50 30.63 1fzm s PRO 15 CO 0.38 -0.83 0.01 -1.21 0.04 0.00 0.00 177.00 175.39 1fzm s GLU 16 N 2.34 0.63 0.09 4.56 2.02 -1.26 -5.12 118.70 121.97 1fzm s GLU 16 Ca 0.80 0.01 -0.35 0.00 0.02 0.00 0.00 54.97 55.44 1fzm s GLU 16 Cb -0.47 -1.19 -0.15 0.00 0.10 0.00 0.00 34.13 32.41 1fzm s GLU 16 CO 0.35 -0.36 1.53 0.09 0.02 0.00 0.00 175.26 176.89 1fzm n ASN 17 N 5.13 2.61 0.00 -0.19 3.02 -1.26 -1.67 115.26 122.89 1fzm n ASN 17 Ca -0.08 1.09 0.00 0.00 -0.03 0.00 0.00 54.58 55.56 1fzm n ASN 17 Cb 0.50 -1.33 0.00 0.00 -0.61 0.00 0.00 39.78 38.34 1fzm n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1fzm n GLY 18 N 3.23 1.15 3.45 7.41 0.00 -0.51 -5.00 105.19 114.93 1fzm n GLY 18 Ca 0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.86 1fzm n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fzm s LYS 19 N -0.53 3.60 0.33 1.61 1.02 -0.67 -5.00 119.74 120.09 1fzm s LYS 19 Ca 0.00 -0.55 -0.27 0.00 0.02 0.00 0.00 55.97 55.18 1fzm s LYS 19 Cb 0.00 -2.93 -0.13 0.00 -0.52 0.00 0.00 37.83 34.24 1fzm s LYS 19 CO 0.00 0.14 0.93 -2.30 -0.92 0.00 0.00 175.35 173.20 1fzm n PRO 20 N 3.82 1.19 -1.61 -1.68 -0.02 -1.26 -4.29 135.00 131.16 1fzm n PRO 20 Ca -0.17 0.42 -0.01 0.00 -2.02 0.00 0.00 63.50 61.72 1fzm n PRO 20 Cb 0.52 -1.80 -0.00 0.00 -0.02 0.00 0.00 33.50 32.20 1fzm n PRO 20 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1fzm n ASN 21 N 1.12 -0.11 -3.80 2.55 2.85 0.13 -4.98 115.26 113.03 1fzm n ASN 21 Ca 0.10 -1.13 -0.17 0.00 -0.11 0.00 0.00 54.58 53.27 1fzm n ASN 21 Cb 0.34 0.20 -0.16 0.00 1.24 0.00 0.00 39.78 41.40 1fzm n ASN 21 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 1fzm s ILE 22 N -2.58 0.11 -0.14 -1.44 1.01 -1.26 -1.71 121.20 115.19 1fzm s ILE 22 Ca 0.02 0.14 -0.06 0.00 0.00 0.00 0.00 60.65 60.74 1fzm s ILE 22 Cb -0.00 -0.23 -0.04 0.00 0.01 0.00 0.00 42.46 42.20 1fzm s ILE 22 CO 0.01 0.14 0.07 -0.22 0.00 0.00 0.00 174.94 174.95 1fzm s LEU 23 N 1.13 3.95 0.04 2.97 2.96 0.26 -0.95 118.68 129.05 1fzm s LEU 23 Ca -0.08 0.22 0.09 0.00 -0.22 0.00 0.00 54.13 54.14 1fzm s LEU 23 Cb -0.13 -1.97 -0.03 0.00 0.50 0.00 0.00 46.19 44.56 1fzm s LEU 23 CO -0.02 0.29 -0.26 0.20 -1.32 0.00 0.00 176.35 175.25 1fzm s ASN 24 N -0.35 3.05 -0.28 3.68 0.01 0.15 -1.51 114.94 119.69 1fzm s ASN 24 Ca 0.09 -0.57 -0.01 0.00 -0.71 0.00 0.00 52.86 51.66 1fzm s ASN 24 Cb -0.12 -0.28 0.09 0.00 0.41 0.00 0.00 41.25 41.35 1fzm s ASN 24 CO 0.02 0.25 0.08 0.00 -1.51 0.00 0.00 177.10 175.93 1fzm s TYR 26 N 1.68 3.23 -0.25 0.00 5.04 0.26 -1.56 117.35 125.76 1fzm s TYR 26 Ca 0.07 0.13 -0.06 0.00 -2.44 0.00 0.00 57.07 54.77 1fzm s TYR 26 Cb -0.17 -2.52 -0.01 0.00 0.35 0.00 0.00 41.96 39.61 1fzm s TYR 26 CO -0.22 -0.27 0.03 0.08 -1.34 0.00 0.00 175.55 173.83 1fzm s VAL 27 N 1.90 3.89 0.29 3.14 1.01 -0.37 -1.24 120.40 129.03 1fzm s VAL 27 Ca 0.10 -0.38 0.02 0.00 0.00 0.00 0.00 61.98 61.73 1fzm s VAL 27 Cb -0.16 -2.83 -0.05 0.00 0.00 0.00 0.00 36.38 33.33 1fzm s VAL 27 CO 0.11 0.33 0.10 0.42 0.00 0.00 0.00 175.10 176.06 1fzm s THR 28 N 1.54 0.64 -1.47 3.92 -4.23 -0.27 -1.53 115.64 114.24 1fzm s THR 28 Ca 0.06 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 58.46 1fzm s THR 28 Cb -0.15 -2.63 0.06 0.00 1.34 0.00 0.00 72.50 71.12 1fzm s THR 28 CO 0.01 0.00 0.84 0.00 -0.54 0.00 0.00 174.62 174.93 1fzm n GLN 29 N -0.55 -5.33 -4.29 3.99 6.02 -0.47 -0.56 117.38 116.20 1fzm n GLN 29 Ca -0.01 0.67 -0.23 0.00 -0.01 0.00 0.00 57.00 57.42 1fzm n GLN 29 Cb 0.66 -5.54 -0.07 0.00 1.02 0.00 0.00 30.24 26.31 1fzm n GLN 29 CO 0.00 0.00 0.00 -0.59 -1.01 0.00 0.00 177.06 175.46 1fzm s PHE 30 N -3.20 2.70 -0.29 1.08 -0.71 -1.13 -4.36 117.98 112.07 1fzm s PHE 30 Ca 0.53 -0.22 -0.20 0.00 -1.04 0.00 0.00 56.93 56.00 1fzm s PHE 30 Cb -0.26 -1.19 0.14 0.00 -1.21 0.00 0.00 43.02 40.50 1fzm s PHE 30 CO 0.66 0.62 1.05 -1.58 -1.34 0.00 0.00 175.22 174.63 1fzm s HIS 31 N -2.32 -0.47 1.12 3.49 2.46 -1.02 -0.60 115.29 117.94 1fzm s HIS 31 Ca 0.31 1.02 -0.13 0.00 0.47 0.00 0.00 55.06 56.73 1fzm s HIS 31 Cb -0.06 0.35 0.25 0.00 -0.13 0.00 0.00 32.58 32.99 1fzm s HIS 31 CO 0.20 -0.23 1.05 -1.25 -2.47 0.00 0.00 174.74 172.04 1fzm s PRO 32 N 0.80 -0.52 0.39 2.88 0.04 -1.26 -0.31 135.00 137.01 1fzm s PRO 32 Ca -0.03 0.60 0.15 0.00 0.04 0.00 0.00 61.00 61.77 1fzm s PRO 32 Cb -0.04 -1.62 0.80 0.00 0.04 0.00 0.00 34.50 33.68 1fzm s PRO 32 CO -0.11 -3.40 1.84 -1.00 0.04 0.00 0.00 177.00 174.37 1fzm h PRO 33 N -2.38 0.00 -6.47 0.56 0.13 -1.98 -3.45 132.00 118.42 1fzm h PRO 33 Ca -0.58 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 63.96 1fzm h PRO 33 Cb 1.34 0.00 0.05 0.00 0.13 0.00 0.00 31.00 32.51 1fzm h PRO 33 CO 0.53 0.34 0.89 0.72 -0.23 0.00 0.00 178.00 180.25 1fzm n HIS 34 N -3.96 2.33 -3.52 1.56 8.25 -1.26 -4.95 115.22 113.67 1fzm n HIS 34 Ca -0.02 0.18 -0.15 0.00 -0.26 0.00 0.00 57.72 57.48 1fzm n HIS 34 Cb 0.40 -2.58 -0.05 0.00 1.12 0.00 0.00 29.99 28.88 1fzm n HIS 34 CO 0.00 0.00 0.00 -1.50 0.64 0.00 0.00 176.34 175.48 1fzm s ILE 35 N 1.67 0.00 -0.12 1.59 2.07 -1.26 -4.63 121.20 120.52 1fzm s ILE 35 Ca 0.82 0.00 0.02 0.00 -1.41 0.00 0.00 60.65 60.08 1fzm s ILE 35 Cb -0.66 -1.00 0.01 0.00 0.13 0.00 0.00 42.46 40.94 1fzm s ILE 35 CO 0.40 0.00 -0.18 -0.70 -1.91 0.00 0.00 174.94 172.56 1fzm s GLU 36 N -1.69 2.48 -0.11 3.50 2.12 -0.69 -4.99 118.70 119.33 1fzm s GLU 36 Ca -0.06 -0.66 0.01 0.00 0.36 0.00 0.00 54.97 54.62 1fzm s GLU 36 Cb -0.00 -2.06 0.02 0.00 0.26 0.00 0.00 34.13 32.35 1fzm s GLU 36 CO 0.03 -0.03 -0.13 0.42 -0.54 0.00 0.00 175.26 175.01 1fzm s ILE 37 N 0.89 1.33 -0.02 -3.70 1.01 -1.26 -1.25 121.20 118.19 1fzm s ILE 37 Ca -0.08 -0.53 0.04 0.00 0.00 0.00 0.00 60.65 60.09 1fzm s ILE 37 Cb -0.15 -1.24 -0.01 0.00 0.01 0.00 0.00 42.46 41.07 1fzm s ILE 37 CO -0.01 0.41 -0.14 -1.10 0.00 0.00 0.00 174.94 174.10 1fzm s GLN 38 N 1.15 1.35 -0.13 2.79 -0.21 -0.17 -5.00 119.66 119.43 1fzm s GLN 38 Ca -0.04 -0.51 -0.06 0.00 0.02 0.00 0.00 55.36 54.76 1fzm s GLN 38 Cb -0.14 -1.24 -0.04 0.00 1.00 0.00 0.00 33.01 32.59 1fzm s GLN 38 CO -0.03 0.26 0.09 -1.64 -2.12 0.00 0.00 175.29 171.85 1fzm s MET 39 N -0.12 3.54 0.03 2.91 -1.94 -1.26 -0.68 119.30 121.78 1fzm s MET 39 Ca 0.01 -0.25 0.07 0.00 -1.71 0.00 0.00 55.69 53.81 1fzm s MET 39 Cb -0.08 -3.13 -0.02 0.00 2.01 0.00 0.00 34.83 33.60 1fzm s MET 39 CO 0.00 0.60 -0.20 -0.51 -0.01 0.00 0.00 175.02 174.91 1fzm s LEU 40 N -0.55 2.14 -0.20 -0.03 1.43 0.06 -0.96 118.68 120.57 1fzm s LEU 40 Ca 0.11 -0.48 0.01 0.00 -1.03 0.00 0.00 54.13 52.75 1fzm s LEU 40 Cb -0.12 -0.96 0.03 0.00 0.03 0.00 0.00 46.19 45.18 1fzm s LEU 40 CO 0.02 0.17 -0.15 -0.75 0.23 0.00 0.00 176.35 175.87 1fzm s LYS 41 N -1.00 2.54 -1.51 1.70 2.20 0.70 -1.60 119.74 122.77 1fzm s LYS 41 Ca 0.07 -0.92 -0.11 0.00 -0.36 0.00 0.00 55.97 54.65 1fzm s LYS 41 Cb -0.08 -2.56 0.07 0.00 -1.51 0.00 0.00 37.83 33.75 1fzm s LYS 41 CO 0.01 -0.34 0.85 0.09 -0.36 0.00 0.00 175.35 175.60 1fzm n ASN 42 N 4.61 -3.51 0.00 1.43 3.02 0.13 -1.49 115.26 119.45 1fzm n ASN 42 Ca -0.18 -0.85 0.00 0.00 -0.03 0.00 0.00 54.58 53.53 1fzm n ASN 42 Cb 0.47 -3.66 0.00 0.00 -0.61 0.00 0.00 39.78 35.99 1fzm n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1fzm n GLY 43 N -1.66 0.81 3.51 7.41 0.00 -1.26 -5.02 105.19 108.98 1fzm n GLY 43 Ca -0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.65 1fzm n GLY 43 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1fzm s LYS 44 N -0.15 2.54 0.31 1.61 2.20 -0.55 -5.06 119.74 120.64 1fzm s LYS 44 Ca 0.00 -0.68 -0.30 0.00 -0.36 0.00 0.00 55.97 54.64 1fzm s LYS 44 Cb 0.00 -2.43 -0.11 0.00 -1.51 0.00 0.00 37.83 33.78 1fzm s LYS 44 CO 0.00 0.63 1.58 0.21 -0.36 0.00 0.00 175.35 177.41 1fzm s LYS 45 N -0.82 4.11 -0.10 4.03 2.20 -1.26 -0.21 119.74 127.69 1fzm s LYS 45 Ca 0.12 2.59 -0.21 0.00 -0.36 0.00 0.00 55.97 58.10 1fzm s LYS 45 Cb -0.11 -3.01 -0.04 0.00 -1.51 0.00 0.00 37.83 33.17 1fzm s LYS 45 CO 0.01 -0.62 0.62 0.42 -0.36 0.00 0.00 175.35 175.43 1fzm s ILE 46 N -0.23 5.09 0.47 5.43 1.01 -0.13 -4.81 121.20 128.02 1fzm s ILE 46 Ca 0.61 1.26 -0.17 0.00 0.00 0.00 0.00 60.65 62.35 1fzm s ILE 46 Cb -0.48 -3.96 -0.09 0.00 0.01 0.00 0.00 42.46 37.94 1fzm s ILE 46 CO 0.51 0.26 0.94 -2.16 0.00 0.00 0.00 174.94 174.49 1fzm s PRO 47 N 0.86 4.03 -1.34 2.79 0.04 -1.26 -4.31 135.00 135.81 1fzm s PRO 47 Ca 0.33 0.95 -0.05 0.00 0.04 0.00 0.00 61.00 62.27 1fzm s PRO 47 Cb -0.17 -2.19 0.02 0.00 0.04 0.00 0.00 34.50 32.20 1fzm s PRO 47 CO 0.15 -0.15 0.93 1.63 0.04 0.00 0.00 177.00 179.60 1fzm n LYS 48 N -1.18 -6.05 -2.62 4.56 5.02 -1.26 -4.98 118.16 111.65 1fzm n LYS 48 Ca 0.06 0.71 -0.38 0.00 -2.02 0.00 0.00 58.31 56.69 1fzm n LYS 48 Cb 0.54 -5.55 -0.05 0.00 -0.02 0.00 0.00 35.03 29.95 1fzm n LYS 48 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1fzm s VAL 49 N -3.45 3.86 -0.15 -0.18 1.01 -1.26 -4.99 120.40 115.24 1fzm s VAL 49 Ca 0.25 1.59 -0.15 0.00 0.00 0.00 0.00 61.98 63.66 1fzm s VAL 49 Cb -0.12 -3.90 -0.04 0.00 0.00 0.00 0.00 36.38 32.32 1fzm s VAL 49 CO 0.78 0.16 0.35 -1.61 0.00 0.00 0.00 175.10 174.79 1fzm s GLU 50 N -2.03 4.27 -0.18 2.72 2.02 -0.49 -4.92 118.70 120.10 1fzm s GLU 50 Ca 0.51 0.20 -0.08 0.00 0.02 0.00 0.00 54.97 55.62 1fzm s GLU 50 Cb -0.23 -3.44 -0.04 0.00 0.10 0.00 0.00 34.13 30.51 1fzm s GLU 50 CO 0.29 0.19 0.09 -1.64 0.02 0.00 0.00 175.26 174.21 1fzm s MET 51 N 0.59 3.94 0.40 1.61 -1.94 -1.26 -1.04 119.30 121.60 1fzm s MET 51 Ca 0.19 -0.29 -0.14 0.00 -1.71 0.00 0.00 55.69 53.74 1fzm s MET 51 Cb -0.14 -3.25 0.06 0.00 2.01 0.00 0.00 34.83 33.51 1fzm s MET 51 CO 0.06 0.36 0.78 -1.13 -0.01 0.00 0.00 175.02 175.07 1fzm n SER 52 N 3.30 -2.25 -3.74 3.03 3.41 0.68 -5.01 113.62 113.04 1fzm n SER 52 Ca -0.17 -2.63 -0.26 0.00 -0.26 0.00 0.00 58.87 55.55 1fzm n SER 52 Cb 0.52 3.77 0.05 0.00 -0.26 0.00 0.00 64.21 68.30 1fzm n SER 52 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1fzm n ASP 53 N -1.54 -4.38 -4.72 4.04 8.00 -1.26 -0.63 116.55 116.05 1fzm n ASP 53 Ca -0.08 -0.70 -0.42 0.00 0.71 0.00 0.00 54.79 54.30 1fzm n ASP 53 Cb 0.60 -4.38 -0.04 0.00 -0.02 0.00 0.00 41.12 37.28 1fzm n ASP 53 CO 0.00 0.00 0.00 -0.32 -0.39 0.00 0.00 177.20 176.49 1fzm s MET 54 N -6.30 4.62 0.39 -1.24 -2.45 -1.26 -4.11 119.30 108.95 1fzm s MET 54 Ca 0.46 1.42 -0.14 0.00 -1.25 0.00 0.00 55.69 56.19 1fzm s MET 54 Cb -0.22 -3.42 0.05 0.00 1.25 0.00 0.00 34.83 32.49 1fzm s MET 54 CO 0.79 0.07 0.76 -1.54 1.05 0.00 0.00 175.02 176.15 1fzm s SER 55 N 0.56 0.13 0.09 1.11 1.04 -0.50 -5.00 113.70 111.12 1fzm s SER 55 Ca 0.49 -1.22 0.03 0.00 0.48 0.00 0.00 55.95 55.73 1fzm s SER 55 Cb -0.22 0.84 -0.03 0.00 0.10 0.00 0.00 66.02 66.71 1fzm s SER 55 CO 0.29 -1.68 -0.09 -0.36 0.98 0.00 0.00 173.24 172.38 1fzm s PHE 56 N -2.26 0.96 0.59 5.02 0.08 -1.26 -0.91 117.98 120.20 1fzm s PHE 56 Ca 0.17 -0.68 0.01 0.00 0.12 0.00 0.00 56.93 56.56 1fzm s PHE 56 Cb -0.05 -0.54 0.11 0.00 -0.57 0.00 0.00 43.02 41.98 1fzm s PHE 56 CO 0.13 -0.04 0.81 -1.13 -0.10 0.00 0.00 175.22 174.88 1fzm n SER 57 N 0.62 1.22 0.28 1.36 3.41 -0.70 -4.91 113.62 114.90 1fzm n SER 57 Ca -0.17 -2.00 0.14 0.00 -0.26 0.00 0.00 58.87 56.58 1fzm n SER 57 Cb 0.58 -0.51 0.85 0.00 -0.26 0.00 0.00 64.21 64.86 1fzm n SER 57 CO 0.00 0.00 0.00 0.07 -0.16 0.00 0.00 175.04 174.95 1fzm h LYS 58 N 0.00 0.00 -0.61 4.33 2.10 -2.02 0.05 116.57 120.41 1fzm h LYS 58 Ca -0.27 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.38 1fzm h LYS 58 Cb 1.02 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.35 1fzm h LYS 58 CO 0.30 0.00 0.00 -0.40 -2.00 0.00 0.00 179.45 177.35 1fzm n ASP 59 N -4.00 3.62 0.00 7.07 5.68 -1.26 -4.94 116.55 122.72 1fzm n ASP 59 Ca -0.02 -2.22 0.00 0.00 -0.50 0.00 0.00 54.79 52.04 1fzm n ASP 59 Cb 0.11 -0.47 0.00 0.00 -1.14 0.00 0.00 41.12 39.63 1fzm n ASP 59 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 1fzm n TRP 60 N 1.00 0.00 -2.14 2.11 7.02 0.00 -5.02 117.44 120.40 1fzm n TRP 60 Ca 0.20 0.00 -0.37 0.00 -1.02 0.00 0.00 57.50 56.31 1fzm n TRP 60 Cb 0.65 -0.33 0.01 0.00 -2.42 0.00 0.00 31.31 29.21 1fzm n TRP 60 CO 0.00 0.00 0.00 -1.12 -2.02 0.00 0.00 177.69 174.55 1fzm s SER 61 N -2.63 5.85 0.33 -0.99 0.01 -1.26 -4.65 113.70 110.35 1fzm s SER 61 Ca 0.00 2.39 -0.15 0.00 1.31 0.00 0.00 55.95 59.49 1fzm s SER 61 Cb 0.00 -2.61 -0.09 0.00 0.21 0.00 0.00 66.02 63.53 1fzm s SER 61 CO 0.00 -1.14 0.75 -0.36 0.41 0.00 0.00 173.24 172.89 1fzm s PHE 62 N -1.53 3.37 -0.01 2.43 0.40 0.23 -1.71 117.98 121.17 1fzm s PHE 62 Ca 0.67 1.24 0.02 0.00 -0.60 0.00 0.00 56.93 58.27 1fzm s PHE 62 Cb -0.31 -2.55 -0.00 0.00 0.51 0.00 0.00 43.02 40.67 1fzm s PHE 62 CO 0.36 0.09 -0.06 0.71 0.70 0.00 0.00 175.22 177.01 1fzm s TYR 63 N -1.99 0.59 -0.13 0.36 1.51 -0.08 -1.36 117.35 116.25 1fzm s TYR 63 Ca 0.54 -0.11 -0.28 0.00 -1.01 0.00 0.00 57.07 56.21 1fzm s TYR 63 Cb -0.10 -0.39 0.07 0.00 -0.11 0.00 0.00 41.96 41.43 1fzm s TYR 63 CO 0.17 -0.02 0.69 -1.50 -1.11 0.00 0.00 175.55 173.78 1fzm s ILE 64 N -0.11 0.00 -0.07 2.71 2.07 -0.58 -1.41 121.20 123.80 1fzm s ILE 64 Ca 0.02 -0.01 0.03 0.00 -1.41 0.00 0.00 60.65 59.28 1fzm s ILE 64 Cb -0.03 -0.99 -0.02 0.00 0.13 0.00 0.00 42.46 41.55 1fzm s ILE 64 CO -0.00 -0.00 -0.16 -0.22 -1.91 0.00 0.00 174.94 172.65 1fzm s LEU 65 N -0.61 2.63 -0.10 8.50 2.96 0.19 -1.24 118.68 131.02 1fzm s LEU 65 Ca -0.07 -0.27 0.03 0.00 -0.22 0.00 0.00 54.13 53.60 1fzm s LEU 65 Cb -0.02 -1.54 -0.01 0.00 0.50 0.00 0.00 46.19 45.12 1fzm s LEU 65 CO 0.07 0.29 -0.18 0.00 -1.32 0.00 0.00 176.35 175.20 1fzm s ALA 66 N -0.42 2.42 0.04 5.97 0.00 -0.60 -0.23 121.76 128.95 1fzm s ALA 66 Ca 0.05 -0.95 -0.13 0.00 0.00 0.00 0.00 51.96 50.93 1fzm s ALA 66 Cb -0.12 -0.98 0.02 0.00 0.00 0.00 0.00 23.12 22.04 1fzm s ALA 66 CO 0.02 0.33 0.28 -3.38 0.00 0.00 0.00 175.76 173.01 1fzm s HIS 67 N 0.13 -0.07 -0.02 0.00 -3.43 -0.20 -0.64 115.29 111.05 1fzm s HIS 67 Ca -0.09 -0.09 -0.19 0.00 -0.80 0.00 0.00 55.06 53.89 1fzm s HIS 67 Cb -0.15 0.07 0.03 0.00 -1.43 0.00 0.00 32.58 31.10 1fzm s HIS 67 CO 0.06 -0.49 0.40 -0.08 -2.00 0.00 0.00 174.74 172.62 1fzm s THR 68 N -2.57 0.04 0.37 -5.38 -1.32 -0.57 -1.39 115.64 104.82 1fzm s THR 68 Ca -0.05 -0.36 -0.24 0.00 -1.21 0.00 0.00 61.69 59.83 1fzm s THR 68 Cb -0.01 -0.70 -0.10 0.00 -1.51 0.00 0.00 72.50 70.18 1fzm s THR 68 CO -0.04 -0.20 0.96 -1.61 -2.21 0.00 0.00 174.62 171.52 1fzm s GLU 69 N -1.29 4.40 0.09 7.08 2.02 -1.26 -0.57 118.70 129.16 1fzm s GLU 69 Ca -0.13 1.26 -0.25 0.00 0.02 0.00 0.00 54.97 55.87 1fzm s GLU 69 Cb -0.04 -2.53 0.08 0.00 0.10 0.00 0.00 34.13 31.75 1fzm s GLU 69 CO 0.06 0.11 0.72 -0.59 0.02 0.00 0.00 175.26 175.58 1fzm s PHE 70 N -1.84 -0.46 -0.27 1.61 -0.71 -0.70 -4.87 117.98 110.74 1fzm s PHE 70 Ca 0.56 0.30 0.02 0.00 -1.04 0.00 0.00 56.93 56.77 1fzm s PHE 70 Cb -0.15 0.55 0.07 0.00 -1.21 0.00 0.00 43.02 42.27 1fzm s PHE 70 CO 0.20 -0.72 -0.07 0.99 -1.34 0.00 0.00 175.22 174.28 1fzm s THR 71 N -3.43 1.99 0.66 -4.49 2.01 -1.26 0.22 115.64 111.34 1fzm s THR 71 Ca 0.02 -1.63 -0.17 0.00 0.31 0.00 0.00 61.69 60.23 1fzm s THR 71 Cb -0.01 -2.20 -0.00 0.00 0.01 0.00 0.00 72.50 70.30 1fzm s THR 71 CO -0.11 -0.15 1.19 -2.16 -0.69 0.00 0.00 174.62 172.71 1fzm s PRO 72 N 1.16 2.62 0.24 4.92 0.04 -1.26 -4.79 135.00 137.92 1fzm s PRO 72 Ca -0.05 1.74 0.01 0.00 0.04 0.00 0.00 61.00 62.74 1fzm s PRO 72 Cb -0.19 -1.89 -0.05 0.00 0.04 0.00 0.00 34.50 32.40 1fzm s PRO 72 CO -0.06 -1.46 0.07 0.95 0.04 0.00 0.00 177.00 176.54 1fzm s THR 73 N -1.85 0.61 0.38 1.26 -4.23 -1.26 -1.42 115.64 109.12 1fzm s THR 73 Ca 0.75 -2.00 0.14 0.00 -1.18 0.00 0.00 61.69 59.40 1fzm s THR 73 Cb -0.28 -2.52 0.12 0.00 1.34 0.00 0.00 72.50 71.15 1fzm s THR 73 CO 0.39 -0.11 1.86 -0.08 -0.54 0.00 0.00 174.62 176.14 1fzm h GLU 74 N 2.45 0.00 0.02 3.99 4.81 -1.97 -3.30 114.58 120.57 1fzm h GLU 74 Ca -0.38 0.00 -0.32 0.00 -0.13 0.00 0.00 59.36 58.54 1fzm h GLU 74 Cb 1.24 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.57 1fzm h GLU 74 CO 0.61 0.33 -1.87 0.25 -0.73 0.00 0.00 179.01 177.61 1fzm n THR 75 N -4.08 1.60 -2.03 0.32 -2.24 -1.26 -4.97 114.28 101.62 1fzm n THR 75 Ca -0.02 -0.78 -0.41 0.00 -2.27 0.00 0.00 64.05 60.57 1fzm n THR 75 Cb 0.38 -1.05 -0.02 0.00 -2.10 0.00 0.00 70.33 67.53 1fzm n THR 75 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1fzm s ASP 76 N -6.14 6.67 0.16 3.42 1.01 -1.25 -5.04 116.67 115.50 1fzm s ASP 76 Ca -0.08 2.71 0.11 0.00 0.71 0.00 0.00 52.55 56.00 1fzm s ASP 76 Cb 0.08 -2.64 -0.04 0.00 1.01 0.00 0.00 42.92 41.33 1fzm s ASP 76 CO 0.81 -0.66 -0.25 0.42 0.21 0.00 0.00 175.17 175.70 1fzm s THR 77 N -0.55 2.28 0.06 -1.27 -4.23 -1.26 -4.78 115.64 105.89 1fzm s THR 77 Ca 0.55 -1.88 0.02 0.00 -1.18 0.00 0.00 61.69 59.20 1fzm s THR 77 Cb -0.42 -2.04 -0.03 0.00 1.34 0.00 0.00 72.50 71.35 1fzm s THR 77 CO 0.49 -0.02 -0.08 -0.31 -0.54 0.00 0.00 174.62 174.16 1fzm s TYR 78 N -1.36 0.79 0.29 3.99 1.51 -1.26 -0.69 117.35 120.61 1fzm s TYR 78 Ca 0.17 -0.59 -0.16 0.00 -1.01 0.00 0.00 57.07 55.48 1fzm s TYR 78 Cb -0.09 -0.46 0.01 0.00 -0.11 0.00 0.00 41.96 41.31 1fzm s TYR 78 CO 0.08 -0.08 0.62 0.00 -1.11 0.00 0.00 175.55 175.05 1fzm s ALA 79 N -1.91 -0.61 -0.07 3.71 0.00 -0.63 -1.50 121.76 120.75 1fzm s ALA 79 Ca -0.04 -0.69 -0.01 0.00 0.00 0.00 0.00 51.96 51.22 1fzm s ALA 79 Cb -0.06 0.93 0.03 0.00 0.00 0.00 0.00 23.12 24.02 1fzm s ALA 79 CO -0.01 -0.94 -0.02 0.00 0.00 0.00 0.00 175.76 174.80 1fzm s ARG 81 N 1.78 3.71 -0.04 0.00 3.52 0.14 -0.93 118.95 127.13 1fzm s ARG 81 Ca 0.03 -0.49 0.04 0.00 -0.13 0.00 0.00 55.73 55.18 1fzm s ARG 81 Cb -0.13 -3.01 -0.00 0.00 -1.56 0.00 0.00 34.95 30.25 1fzm s ARG 81 CO -0.05 0.19 -0.17 0.08 -0.81 0.00 0.00 175.30 174.54 1fzm s VAL 82 N 0.52 1.41 -0.11 7.11 1.01 0.50 -1.00 120.40 129.84 1fzm s VAL 82 Ca -0.01 -0.72 0.03 0.00 0.00 0.00 0.00 61.98 61.28 1fzm s VAL 82 Cb -0.14 -1.21 -0.00 0.00 0.00 0.00 0.00 36.38 35.03 1fzm s VAL 82 CO 0.02 0.41 -0.21 -0.54 0.00 0.00 0.00 175.10 174.78 1fzm s LYS 83 N -0.04 3.14 0.05 2.72 1.02 -0.38 -0.91 119.74 125.35 1fzm s LYS 83 Ca -0.02 -0.82 -0.15 0.00 0.02 0.00 0.00 55.97 55.00 1fzm s LYS 83 Cb -0.11 -2.40 0.03 0.00 -0.52 0.00 0.00 37.83 34.83 1fzm s LYS 83 CO 0.02 0.19 0.34 -1.58 -0.92 0.00 0.00 175.35 173.41 1fzm s HIS 84 N 0.33 -0.16 0.42 3.18 2.46 -1.26 -1.70 115.29 118.56 1fzm s HIS 84 Ca -0.16 0.03 0.30 0.00 0.47 0.00 0.00 55.06 55.70 1fzm s HIS 84 Cb -0.17 0.14 1.57 0.00 -0.13 0.00 0.00 32.58 34.00 1fzm s HIS 84 CO 0.08 -0.54 2.11 -0.44 -2.47 0.00 0.00 174.74 173.48 1fzm h ASP 85 N 3.07 0.00 0.81 9.88 3.45 -1.94 -2.51 116.42 129.18 1fzm h ASP 85 Ca -0.32 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.14 1fzm h ASP 85 Cb 1.21 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.98 1fzm h ASP 85 CO 0.45 0.09 0.00 -1.54 -1.57 0.00 0.00 179.24 176.67 1fzm n SER 86 N -3.54 0.47 -4.20 6.45 3.41 -1.26 -4.68 113.62 110.26 1fzm n SER 86 Ca -0.02 0.60 -0.31 0.00 -0.26 0.00 0.00 58.87 58.88 1fzm n SER 86 Cb 0.22 -0.70 -0.17 0.00 -0.26 0.00 0.00 64.21 63.30 1fzm n SER 86 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 1fzm s MET 87 N -3.18 2.69 0.21 4.33 -1.94 -0.95 -4.94 119.30 115.52 1fzm s MET 87 Ca 0.07 -0.81 -0.02 0.00 -1.71 0.00 0.00 55.69 53.21 1fzm s MET 87 Cb 0.11 -2.11 0.17 0.00 2.01 0.00 0.00 34.83 35.01 1fzm s MET 87 CO 0.40 0.21 1.56 0.00 -0.01 0.00 0.00 175.02 177.19 1fzm h ALA 88 N 6.55 0.79 -3.38 3.03 0.00 -1.83 -3.43 119.26 121.00 1fzm h ALA 88 Ca -0.24 -0.46 -0.65 0.00 0.00 0.00 0.00 54.91 53.55 1fzm h ALA 88 Cb 1.21 -0.10 -0.15 0.00 0.00 0.00 0.00 17.79 18.76 1fzm h ALA 88 CO 0.47 0.66 -0.72 -1.21 0.00 0.00 0.00 179.25 178.45 1fzm s GLU 89 N -4.18 2.18 0.57 0.00 0.41 -1.26 -5.10 118.70 111.33 1fzm s GLU 89 Ca -0.08 -1.06 -0.19 0.00 -0.41 0.00 0.00 54.97 53.23 1fzm s GLU 89 Cb 0.12 -2.31 -0.04 0.00 -1.78 0.00 0.00 34.13 30.12 1fzm s GLU 89 CO 0.83 0.49 1.20 -2.14 -0.49 0.00 0.00 175.26 175.16 1fzm s PRO 90 N -2.40 3.10 -0.13 0.39 0.02 -1.26 -4.88 135.00 129.83 1fzm s PRO 90 Ca 0.23 1.82 0.02 0.00 0.02 0.00 0.00 61.00 63.08 1fzm s PRO 90 Cb -0.11 -1.99 -0.00 0.00 0.02 0.00 0.00 34.50 32.42 1fzm s PRO 90 CO 0.15 -1.10 -0.18 0.21 -0.33 0.00 0.00 177.00 175.74 1fzm s LYS 91 N -3.25 3.19 -0.12 5.54 2.20 -0.08 -4.95 119.74 122.27 1fzm s LYS 91 Ca 0.75 -0.79 0.00 0.00 -0.36 0.00 0.00 55.97 55.58 1fzm s LYS 91 Cb -0.30 -2.49 -0.02 0.00 -1.51 0.00 0.00 37.83 33.51 1fzm s LYS 91 CO 0.33 0.14 -0.14 0.99 -0.36 0.00 0.00 175.35 176.31 1fzm s THR 92 N 0.49 3.01 -0.13 3.43 2.01 -1.26 -0.37 115.64 122.82 1fzm s THR 92 Ca -0.12 -0.68 0.01 0.00 0.31 0.00 0.00 61.69 61.21 1fzm s THR 92 Cb -0.17 -2.25 -0.01 0.00 0.01 0.00 0.00 72.50 70.09 1fzm s THR 92 CO 0.05 0.53 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.65 1fzm s VAL 93 N 0.26 2.64 0.07 3.82 1.01 -0.11 -4.95 120.40 123.13 1fzm s VAL 93 Ca -0.10 -0.80 -0.07 0.00 0.00 0.00 0.00 61.98 61.01 1fzm s VAL 93 Cb -0.16 -2.08 -0.05 0.00 0.00 0.00 0.00 36.38 34.09 1fzm s VAL 93 CO 0.05 0.53 0.34 -0.31 0.00 0.00 0.00 175.10 175.71 1fzm s TYR 94 N 0.49 3.55 -0.02 5.22 1.51 -1.26 -0.93 117.35 125.91 1fzm s TYR 94 Ca -0.11 0.63 -0.30 0.00 -1.01 0.00 0.00 57.07 56.28 1fzm s TYR 94 Cb -0.16 -2.05 -0.05 0.00 -0.11 0.00 0.00 41.96 39.59 1fzm s TYR 94 CO 0.05 0.54 1.36 -0.46 -1.11 0.00 0.00 175.55 175.92 1fzm s TRP 95 N -1.42 2.91 -0.53 2.71 -0.00 -0.56 -4.90 118.94 117.15 1fzm s TRP 95 Ca 0.33 0.90 -0.07 0.00 -0.00 0.00 0.00 56.10 57.26 1fzm s TRP 95 Cb -0.13 -3.61 0.14 0.00 -0.00 0.00 0.00 33.47 29.87 1fzm s TRP 95 CO 0.19 -2.19 0.38 0.34 -0.00 0.00 0.00 176.95 175.67 1fzm s ASP 96 N 1.83 5.61 0.00 5.86 -1.08 -1.26 -4.82 116.67 122.80 1fzm s ASP 96 Ca 0.62 -2.23 0.13 0.00 -0.52 0.00 0.00 52.55 50.55 1fzm s ASP 96 Cb -0.29 -1.96 0.72 0.00 -1.46 0.00 0.00 42.92 39.93 1fzm s ASP 96 CO 0.25 -0.58 1.30 -2.11 0.52 0.00 0.00 175.17 174.55 1fzm n ARG 97 N 4.43 0.28 -0.08 4.34 1.85 -1.26 -2.27 116.66 123.95 1fzm n ARG 97 Ca -0.01 0.10 0.06 0.00 -1.00 0.00 0.00 57.85 57.00 1fzm n ARG 97 Cb 0.41 -1.50 0.10 0.00 -1.05 0.00 0.00 32.46 30.42 1fzm n ARG 97 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 1fzm n ASP 98 N -1.18 2.45 0.00 2.89 8.00 -1.26 -4.83 116.55 122.62 1fzm n ASP 98 Ca 0.08 -1.71 0.00 0.00 0.71 0.00 0.00 54.79 53.87 1fzm n ASP 98 Cb 0.08 -0.10 0.00 0.00 -0.02 0.00 0.00 41.12 41.08 1fzm n ASP 98 CO 0.00 0.00 0.00 0.80 -0.39 0.00 0.00 177.20 177.61