#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fzo s GLN 2 N 0.00 1.40 -0.04 0.38 0.74 -1.26 -3.84 119.66 117.04 1fzo s GLN 2 Ca 0.00 -0.21 0.03 0.00 0.05 0.00 0.00 55.36 55.23 1fzo s GLN 2 Cb 0.00 -1.49 0.00 0.00 1.10 0.00 0.00 33.01 32.63 1fzo s GLN 2 CO 0.00 -0.26 -0.12 0.15 -0.55 0.00 0.00 175.29 174.51 1fzo s LYS 3 N 1.68 1.43 0.21 1.67 1.02 0.12 -4.92 119.74 120.95 1fzo s LYS 3 Ca 0.04 -0.42 -0.30 0.00 0.02 0.00 0.00 55.97 55.31 1fzo s LYS 3 Cb -0.13 -1.25 -0.08 0.00 -0.52 0.00 0.00 37.83 35.85 1fzo s LYS 3 CO -0.07 0.12 1.02 0.99 -0.92 0.00 0.00 175.35 176.49 1fzo s THR 4 N 0.31 3.95 0.44 2.17 2.01 -1.26 -2.13 115.64 121.13 1fzo s THR 4 Ca -0.07 1.82 -0.23 0.00 0.31 0.00 0.00 61.69 63.52 1fzo s THR 4 Cb -0.12 -4.16 -0.08 0.00 0.01 0.00 0.00 72.50 68.15 1fzo s THR 4 CO 0.02 0.38 1.08 -2.16 -0.69 0.00 0.00 174.62 173.25 1fzo s PRO 5 N -0.82 3.93 -0.13 4.92 0.04 -1.26 -4.51 135.00 137.17 1fzo s PRO 5 Ca 0.45 1.55 -0.13 0.00 0.04 0.00 0.00 61.00 62.91 1fzo s PRO 5 Cb -0.28 -2.38 -0.05 0.00 0.04 0.00 0.00 34.50 31.84 1fzo s PRO 5 CO 0.35 -0.35 0.29 -0.65 0.04 0.00 0.00 177.00 176.67 1fzo s GLN 6 N -2.75 4.08 -0.23 4.56 -1.52 0.16 -4.91 119.66 119.05 1fzo s GLN 6 Ca 0.62 0.12 0.00 0.00 -1.95 0.00 0.00 55.36 54.15 1fzo s GLN 6 Cb -0.23 -3.35 0.03 0.00 -0.22 0.00 0.00 33.01 29.24 1fzo s GLN 6 CO 0.28 0.40 -0.11 0.42 -0.25 0.00 0.00 175.29 176.02 1fzo s ILE 7 N -0.03 2.49 -0.17 1.08 1.01 -1.26 -0.91 121.20 123.41 1fzo s ILE 7 Ca 0.18 -1.09 0.01 0.00 0.00 0.00 0.00 60.65 59.74 1fzo s ILE 7 Cb -0.13 -2.23 0.01 0.00 0.01 0.00 0.00 42.46 40.11 1fzo s ILE 7 CO 0.06 0.27 -0.17 -1.10 0.00 0.00 0.00 174.94 174.00 1fzo s GLN 8 N 1.28 3.11 -0.17 2.79 -0.21 -0.13 -4.97 119.66 121.36 1fzo s GLN 8 Ca 0.00 -0.79 -0.01 0.00 0.02 0.00 0.00 55.36 54.59 1fzo s GLN 8 Cb -0.16 -2.61 -0.01 0.00 1.00 0.00 0.00 33.01 31.23 1fzo s GLN 8 CO -0.07 -0.10 -0.12 0.08 -2.12 0.00 0.00 175.29 172.95 1fzo s VAL 9 N 1.08 2.92 0.04 1.09 1.01 -1.26 -0.15 120.40 125.13 1fzo s VAL 9 Ca -0.00 -0.68 -0.27 0.00 0.00 0.00 0.00 61.98 61.03 1fzo s VAL 9 Cb -0.14 -2.26 0.07 0.00 0.00 0.00 0.00 36.38 34.05 1fzo s VAL 9 CO -0.06 0.50 0.64 -0.72 0.00 0.00 0.00 175.10 175.46 1fzo s TYR 10 N 0.87 -0.59 0.25 5.22 1.13 -0.48 -4.58 117.35 119.17 1fzo s TYR 10 Ca -0.03 0.76 0.02 0.00 -1.41 0.00 0.00 57.07 56.41 1fzo s TYR 10 Cb -0.15 0.47 -0.03 0.00 -1.10 0.00 0.00 41.96 41.14 1fzo s TYR 10 CO -0.00 -0.71 0.41 -1.54 -2.51 0.00 0.00 175.55 171.20 1fzo s SER 11 N -1.88 6.33 0.10 -0.18 1.04 -1.26 -0.20 113.70 117.65 1fzo s SER 11 Ca -0.06 0.25 -0.16 0.00 0.48 0.00 0.00 55.95 56.46 1fzo s SER 11 Cb -0.00 -1.94 -0.07 0.00 0.10 0.00 0.00 66.02 64.10 1fzo s SER 11 CO -0.00 -0.11 1.48 -0.09 0.98 0.00 0.00 173.24 175.49 1fzo h ARG 12 N 1.32 0.61 -6.53 4.02 9.65 -1.58 -3.45 114.38 118.42 1fzo h ARG 12 Ca -0.50 -0.25 -0.65 0.00 -1.10 0.00 0.00 59.98 57.48 1fzo h ARG 12 Cb 1.22 -0.03 -0.15 0.00 -1.39 0.00 0.00 29.97 29.61 1fzo h ARG 12 CO 0.63 0.82 -0.75 -1.01 2.80 0.00 0.00 179.97 182.47 1fzo s HIS 13 N -4.69 2.63 0.34 2.20 3.76 -1.26 -5.03 115.29 113.23 1fzo s HIS 13 Ca -0.13 -0.22 -0.28 0.00 -0.15 0.00 0.00 55.06 54.28 1fzo s HIS 13 Cb 0.08 -1.33 -0.12 0.00 1.11 0.00 0.00 32.58 32.33 1fzo s HIS 13 CO 0.79 0.47 1.33 -2.30 -0.85 0.00 0.00 174.74 174.18 1fzo n PRO 14 N 0.34 2.21 -2.16 8.40 -0.02 -1.26 -4.84 135.00 137.66 1fzo n PRO 14 Ca -0.12 0.77 -0.40 0.00 -2.02 0.00 0.00 63.50 61.73 1fzo n PRO 14 Cb 0.54 -2.38 -0.02 0.00 -0.02 0.00 0.00 33.50 31.62 1fzo n PRO 14 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1fzo s PRO 15 N -1.79 4.34 -0.08 0.52 0.04 -1.26 -5.02 135.00 131.75 1fzo s PRO 15 Ca 0.56 2.14 -0.03 0.00 0.04 0.00 0.00 61.00 63.72 1fzo s PRO 15 Cb -0.56 -3.04 0.04 0.00 0.04 0.00 0.00 34.50 30.98 1fzo s PRO 15 CO 0.61 -0.17 0.06 -1.21 0.04 0.00 0.00 177.00 176.33 1fzo s GLU 16 N -1.81 0.08 0.24 4.56 2.02 -1.26 -5.11 118.70 117.40 1fzo s GLU 16 Ca 0.49 0.20 -0.31 0.00 0.02 0.00 0.00 54.97 55.37 1fzo s GLU 16 Cb -0.38 -0.95 -0.14 0.00 0.10 0.00 0.00 34.13 32.76 1fzo s GLU 16 CO 0.50 -0.42 1.36 0.09 0.02 0.00 0.00 175.26 176.82 1fzo n ASN 17 N 5.26 2.57 0.00 -0.19 3.02 -1.26 -1.27 115.26 123.39 1fzo n ASN 17 Ca -0.05 1.15 0.00 0.00 -0.03 0.00 0.00 54.58 55.65 1fzo n ASN 17 Cb 0.50 -1.40 0.00 0.00 -0.61 0.00 0.00 39.78 38.26 1fzo n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1fzo n GLY 18 N 2.04 2.04 3.52 7.41 0.00 0.10 -4.99 105.19 115.31 1fzo n GLY 18 Ca 0.12 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.78 1fzo n GLY 18 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1fzo s LYS 19 N -0.27 3.77 0.48 1.61 2.20 -0.40 -4.99 119.74 122.14 1fzo s LYS 19 Ca 0.00 -0.44 -0.21 0.00 -0.36 0.00 0.00 55.97 54.96 1fzo s LYS 19 Cb 0.00 -3.21 -0.10 0.00 -1.51 0.00 0.00 37.83 33.01 1fzo s LYS 19 CO 0.00 0.05 0.77 -2.30 -0.36 0.00 0.00 175.35 173.51 1fzo n PRO 20 N 4.19 0.88 -1.58 4.03 -0.02 -1.26 -4.27 135.00 136.96 1fzo n PRO 20 Ca -0.16 0.32 -0.02 0.00 -2.02 0.00 0.00 63.50 61.62 1fzo n PRO 20 Cb 0.52 -1.84 0.01 0.00 -0.02 0.00 0.00 33.50 32.16 1fzo n PRO 20 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1fzo n ASN 21 N 0.50 -0.45 -3.90 2.55 2.85 0.11 -4.97 115.26 111.94 1fzo n ASN 21 Ca 0.11 -1.32 -0.18 0.00 -0.11 0.00 0.00 54.58 53.07 1fzo n ASN 21 Cb 0.42 0.76 -0.16 0.00 1.24 0.00 0.00 39.78 42.05 1fzo n ASN 21 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 1fzo s ILE 22 N -2.80 0.46 -0.13 -1.44 1.01 -1.26 -0.97 121.20 116.06 1fzo s ILE 22 Ca 0.03 -0.13 -0.04 0.00 0.00 0.00 0.00 60.65 60.52 1fzo s ILE 22 Cb -0.01 -0.47 -0.03 0.00 0.01 0.00 0.00 42.46 41.96 1fzo s ILE 22 CO 0.02 0.18 0.01 -0.22 0.00 0.00 0.00 174.94 174.94 1fzo s LEU 23 N 0.62 3.58 0.05 2.97 2.96 0.12 -1.28 118.68 127.69 1fzo s LEU 23 Ca -0.08 0.07 0.09 0.00 -0.22 0.00 0.00 54.13 54.00 1fzo s LEU 23 Cb -0.11 -1.85 -0.03 0.00 0.50 0.00 0.00 46.19 44.70 1fzo s LEU 23 CO -0.00 0.28 -0.26 0.20 -1.32 0.00 0.00 176.35 175.24 1fzo s ASN 24 N -0.26 3.16 -0.24 3.68 0.01 0.72 -1.25 114.94 120.76 1fzo s ASN 24 Ca 0.06 -0.59 -0.02 0.00 -0.71 0.00 0.00 52.86 51.60 1fzo s ASN 24 Cb -0.12 -0.29 0.07 0.00 0.41 0.00 0.00 41.25 41.33 1fzo s ASN 24 CO 0.02 0.26 0.04 0.00 -1.51 0.00 0.00 177.10 175.91 1fzo s TYR 26 N 1.70 3.16 -0.21 0.00 5.04 0.79 -1.23 117.35 126.60 1fzo s TYR 26 Ca 0.02 -0.13 -0.04 0.00 -2.44 0.00 0.00 57.07 54.48 1fzo s TYR 26 Cb -0.17 -2.28 -0.01 0.00 0.35 0.00 0.00 41.96 39.84 1fzo s TYR 26 CO -0.14 -0.21 -0.04 0.08 -1.34 0.00 0.00 175.55 173.91 1fzo s VAL 27 N 1.51 3.53 0.24 3.14 1.01 -0.11 -0.95 120.40 128.78 1fzo s VAL 27 Ca 0.06 -0.45 0.01 0.00 0.00 0.00 0.00 61.98 61.60 1fzo s VAL 27 Cb -0.15 -2.60 -0.04 0.00 0.00 0.00 0.00 36.38 33.59 1fzo s VAL 27 CO 0.06 0.43 0.14 0.42 0.00 0.00 0.00 175.10 176.15 1fzo s THR 28 N 1.25 0.20 -1.45 3.92 -4.23 -0.09 -1.29 115.64 113.96 1fzo s THR 28 Ca 0.03 -2.00 -0.06 0.00 -1.18 0.00 0.00 61.69 58.48 1fzo s THR 28 Cb -0.14 -2.54 0.03 0.00 1.34 0.00 0.00 72.50 71.18 1fzo s THR 28 CO -0.01 0.00 0.50 0.00 -0.54 0.00 0.00 174.62 174.57 1fzo n GLN 29 N -0.40 -4.08 -4.27 3.99 6.02 -0.16 -0.66 117.38 117.82 1fzo n GLN 29 Ca 0.02 0.75 -0.24 0.00 -0.01 0.00 0.00 57.00 57.52 1fzo n GLN 29 Cb 0.66 -5.54 -0.08 0.00 1.02 0.00 0.00 30.24 26.30 1fzo n GLN 29 CO 0.00 0.00 0.00 -0.59 -1.01 0.00 0.00 177.06 175.46 1fzo s PHE 30 N -3.05 2.73 -0.28 1.08 -0.71 -1.14 -4.34 117.98 112.26 1fzo s PHE 30 Ca 0.30 -0.20 -0.21 0.00 -1.04 0.00 0.00 56.93 55.78 1fzo s PHE 30 Cb -0.14 -1.26 0.12 0.00 -1.21 0.00 0.00 43.02 40.52 1fzo s PHE 30 CO 0.37 0.57 0.93 -1.58 -1.34 0.00 0.00 175.22 174.18 1fzo s HIS 31 N -2.07 -0.62 0.98 3.49 2.46 -0.90 -0.53 115.29 118.10 1fzo s HIS 31 Ca 0.29 1.37 -0.12 0.00 0.47 0.00 0.00 55.06 57.07 1fzo s HIS 31 Cb -0.08 0.38 0.18 0.00 -0.13 0.00 0.00 32.58 32.93 1fzo s HIS 31 CO 0.19 -0.30 1.08 -1.25 -2.47 0.00 0.00 174.74 171.99 1fzo s PRO 32 N 0.75 0.57 0.47 2.88 0.04 -1.25 0.12 135.00 138.58 1fzo s PRO 32 Ca -0.02 0.75 0.19 0.00 0.04 0.00 0.00 61.00 61.96 1fzo s PRO 32 Cb -0.05 -1.73 1.15 0.00 0.04 0.00 0.00 34.50 33.91 1fzo s PRO 32 CO -0.10 -2.69 2.01 -1.00 0.04 0.00 0.00 177.00 175.26 1fzo h PRO 33 N -1.87 0.00 -6.47 0.56 0.13 -1.96 -3.44 132.00 118.94 1fzo h PRO 33 Ca -0.53 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.04 1fzo h PRO 33 Cb 1.31 0.00 0.04 0.00 0.13 0.00 0.00 31.00 32.48 1fzo h PRO 33 CO 0.54 0.18 1.03 1.58 -0.23 0.00 0.00 178.00 181.10 1fzo n HIS 34 N -4.02 2.49 -3.50 1.56 -0.00 -1.26 -4.94 115.22 105.54 1fzo n HIS 34 Ca -0.02 -0.01 -0.15 0.00 0.46 0.00 0.00 57.72 58.00 1fzo n HIS 34 Cb 0.26 -2.67 -0.04 0.00 -0.12 0.00 0.00 29.99 27.42 1fzo n HIS 34 CO 0.00 0.00 0.00 -1.50 0.46 0.00 0.00 176.34 175.30 1fzo s ILE 35 N 2.48 0.00 -0.11 3.57 2.07 -1.26 -4.63 121.20 123.31 1fzo s ILE 35 Ca 0.83 0.00 0.02 0.00 -1.41 0.00 0.00 60.65 60.09 1fzo s ILE 35 Cb -0.57 -1.00 0.01 0.00 0.13 0.00 0.00 42.46 41.03 1fzo s ILE 35 CO 0.40 0.00 -0.17 -0.70 -1.91 0.00 0.00 174.94 172.56 1fzo s GLU 36 N -2.05 2.37 -0.11 3.50 2.12 -0.69 -4.99 118.70 118.84 1fzo s GLU 36 Ca -0.05 -0.62 0.01 0.00 0.36 0.00 0.00 54.97 54.67 1fzo s GLU 36 Cb -0.00 -1.99 0.02 0.00 0.26 0.00 0.00 34.13 32.41 1fzo s GLU 36 CO 0.01 -0.06 -0.14 0.42 -0.54 0.00 0.00 175.26 174.96 1fzo s ILE 37 N 0.96 1.42 -0.02 -3.70 1.01 -1.26 -1.31 121.20 118.29 1fzo s ILE 37 Ca -0.07 -0.58 0.05 0.00 0.00 0.00 0.00 60.65 60.05 1fzo s ILE 37 Cb -0.15 -1.32 -0.01 0.00 0.01 0.00 0.00 42.46 41.00 1fzo s ILE 37 CO -0.02 0.43 -0.16 -1.10 0.00 0.00 0.00 174.94 174.09 1fzo s GLN 38 N 1.15 1.41 -0.14 2.79 -0.21 -0.11 -4.99 119.66 119.56 1fzo s GLN 38 Ca -0.04 -0.56 -0.06 0.00 0.02 0.00 0.00 55.36 54.72 1fzo s GLN 38 Cb -0.14 -1.31 -0.04 0.00 1.00 0.00 0.00 33.01 32.52 1fzo s GLN 38 CO -0.04 0.29 0.08 -1.64 -2.12 0.00 0.00 175.29 171.87 1fzo s MET 39 N -0.20 3.62 0.01 2.91 -1.94 -1.26 -0.29 119.30 122.14 1fzo s MET 39 Ca 0.02 -0.28 0.08 0.00 -1.71 0.00 0.00 55.69 53.80 1fzo s MET 39 Cb -0.08 -3.14 -0.02 0.00 2.01 0.00 0.00 34.83 33.60 1fzo s MET 39 CO 0.00 0.53 -0.23 -0.51 -0.01 0.00 0.00 175.02 174.80 1fzo s LEU 40 N -0.35 2.09 -0.20 -0.03 1.43 0.55 -0.85 118.68 121.33 1fzo s LEU 40 Ca 0.10 -0.47 0.01 0.00 -1.03 0.00 0.00 54.13 52.74 1fzo s LEU 40 Cb -0.12 -1.16 0.02 0.00 0.03 0.00 0.00 46.19 44.96 1fzo s LEU 40 CO 0.02 0.26 -0.17 -0.75 0.23 0.00 0.00 176.35 175.93 1fzo s LYS 41 N -0.78 2.93 -1.52 1.70 2.20 0.43 -1.46 119.74 123.24 1fzo s LYS 41 Ca 0.09 -0.88 -0.10 0.00 -0.36 0.00 0.00 55.97 54.72 1fzo s LYS 41 Cb -0.09 -2.67 0.07 0.00 -1.51 0.00 0.00 37.83 33.64 1fzo s LYS 41 CO 0.00 -0.26 0.78 0.09 -0.36 0.00 0.00 175.35 175.60 1fzo n ASN 42 N 4.62 -2.97 0.00 1.43 3.02 -0.12 -0.80 115.26 120.44 1fzo n ASN 42 Ca -0.20 -0.89 0.00 0.00 -0.03 0.00 0.00 54.58 53.46 1fzo n ASN 42 Cb 0.49 -3.47 0.00 0.00 -0.61 0.00 0.00 39.78 36.19 1fzo n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1fzo n GLY 43 N -1.66 0.80 3.53 7.41 0.00 -1.26 -5.00 105.19 109.01 1fzo n GLY 43 Ca -0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.61 1fzo n GLY 43 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1fzo s LYS 44 N -0.22 3.18 0.28 1.61 2.20 0.02 -5.03 119.74 121.79 1fzo s LYS 44 Ca 0.00 -0.55 -0.30 0.00 -0.36 0.00 0.00 55.97 54.76 1fzo s LYS 44 Cb 0.00 -2.72 -0.13 0.00 -1.51 0.00 0.00 37.83 33.47 1fzo s LYS 44 CO 0.00 0.45 1.39 1.17 -0.36 0.00 0.00 175.35 178.00 1fzo n LYS 45 N 2.86 2.15 -3.10 4.03 4.81 -1.26 -0.43 118.16 127.22 1fzo n LYS 45 Ca -0.18 0.76 -0.40 0.00 -0.87 0.00 0.00 58.31 57.63 1fzo n LYS 45 Cb 0.53 -2.40 -0.05 0.00 0.02 0.00 0.00 35.03 33.12 1fzo n LYS 45 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 1fzo s ILE 46 N -0.44 5.05 0.50 3.15 1.01 -0.03 -4.80 121.20 125.66 1fzo s ILE 46 Ca 0.63 1.30 -0.18 0.00 0.00 0.00 0.00 60.65 62.40 1fzo s ILE 46 Cb -0.60 -3.98 -0.08 0.00 0.01 0.00 0.00 42.46 37.81 1fzo s ILE 46 CO 0.54 0.21 0.99 -2.16 0.00 0.00 0.00 174.94 174.53 1fzo s PRO 47 N 1.16 3.90 -1.39 2.79 0.04 -1.26 -4.19 135.00 136.04 1fzo s PRO 47 Ca 0.33 1.08 -0.10 0.00 0.04 0.00 0.00 61.00 62.35 1fzo s PRO 47 Cb -0.17 -2.12 0.02 0.00 0.04 0.00 0.00 34.50 32.27 1fzo s PRO 47 CO 0.14 -0.32 1.14 1.63 0.04 0.00 0.00 177.00 179.64 1fzo n LYS 48 N -1.37 -7.48 -2.38 4.56 5.02 -1.26 -4.97 118.16 110.28 1fzo n LYS 48 Ca 0.07 0.78 -0.40 0.00 -2.02 0.00 0.00 58.31 56.75 1fzo n LYS 48 Cb 0.54 -5.81 -0.04 0.00 -0.02 0.00 0.00 35.03 29.70 1fzo n LYS 48 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1fzo s VAL 49 N -3.32 3.29 -0.08 -0.18 1.01 -1.26 -4.98 120.40 114.89 1fzo s VAL 49 Ca 0.59 1.27 -0.18 0.00 0.00 0.00 0.00 61.98 63.66 1fzo s VAL 49 Cb -0.27 -3.79 -0.05 0.00 0.00 0.00 0.00 36.38 32.27 1fzo s VAL 49 CO 0.75 0.28 0.49 -1.61 0.00 0.00 0.00 175.10 175.00 1fzo s GLU 50 N -1.65 4.28 -0.17 2.72 2.02 -0.31 -4.90 118.70 120.69 1fzo s GLU 50 Ca 0.47 0.49 -0.06 0.00 0.02 0.00 0.00 54.97 55.89 1fzo s GLU 50 Cb -0.33 -3.39 -0.04 0.00 0.10 0.00 0.00 34.13 30.47 1fzo s GLU 50 CO 0.43 0.27 0.03 -1.64 0.02 0.00 0.00 175.26 174.38 1fzo s MET 51 N 0.23 3.82 0.34 1.61 -1.94 -1.26 -0.56 119.30 121.54 1fzo s MET 51 Ca 0.26 -0.38 -0.10 0.00 -1.71 0.00 0.00 55.69 53.76 1fzo s MET 51 Cb -0.16 -3.11 0.04 0.00 2.01 0.00 0.00 34.83 33.61 1fzo s MET 51 CO 0.12 0.31 0.62 -1.13 -0.01 0.00 0.00 175.02 174.94 1fzo n SER 52 N 3.38 -1.80 -3.93 3.03 3.41 0.15 -4.97 113.62 112.89 1fzo n SER 52 Ca -0.17 -2.49 -0.30 0.00 -0.26 0.00 0.00 58.87 55.64 1fzo n SER 52 Cb 0.52 3.07 0.02 0.00 -0.26 0.00 0.00 64.21 67.57 1fzo n SER 52 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1fzo n ASP 53 N -1.53 -4.80 -4.70 4.04 8.00 -1.26 -0.36 116.55 115.93 1fzo n ASP 53 Ca -0.05 -0.78 -0.42 0.00 0.71 0.00 0.00 54.79 54.24 1fzo n ASP 53 Cb 0.53 -3.86 -0.03 0.00 -0.02 0.00 0.00 41.12 37.74 1fzo n ASP 53 CO 0.00 0.00 0.00 -0.32 -0.39 0.00 0.00 177.20 176.49 1fzo s MET 54 N -6.63 4.43 0.21 -1.24 -2.45 -1.26 -4.15 119.30 108.21 1fzo s MET 54 Ca 0.67 1.66 -0.06 0.00 -1.25 0.00 0.00 55.69 56.71 1fzo s MET 54 Cb -0.34 -3.44 0.03 0.00 1.25 0.00 0.00 34.83 32.33 1fzo s MET 54 CO 0.83 -0.28 0.40 -1.13 1.05 0.00 0.00 175.02 175.89 1fzo n SER 55 N 4.36 -1.15 -3.91 1.11 3.41 -0.25 -5.00 113.62 112.20 1fzo n SER 55 Ca 0.09 -1.92 -0.09 0.00 -0.26 0.00 0.00 58.87 56.69 1fzo n SER 55 Cb 0.47 1.95 -0.09 0.00 -0.26 0.00 0.00 64.21 66.28 1fzo n SER 55 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 1fzo s PHE 56 N -4.92 0.18 0.56 7.33 -0.71 -1.26 -0.69 117.98 118.47 1fzo s PHE 56 Ca 0.10 -0.52 -0.03 0.00 -1.04 0.00 0.00 56.93 55.45 1fzo s PHE 56 Cb -0.02 -0.12 0.12 0.00 -1.21 0.00 0.00 43.02 41.78 1fzo s PHE 56 CO 0.08 -0.42 0.76 -1.13 -1.34 0.00 0.00 175.22 173.17 1fzo n SER 57 N 0.50 0.78 0.27 1.98 3.41 -0.29 -4.89 113.62 115.38 1fzo n SER 57 Ca -0.18 -1.72 0.13 0.00 -0.26 0.00 0.00 58.87 56.84 1fzo n SER 57 Cb 0.60 -0.52 0.78 0.00 -0.26 0.00 0.00 64.21 64.81 1fzo n SER 57 CO 0.00 0.00 0.00 0.07 -0.16 0.00 0.00 175.04 174.95 1fzo h LYS 58 N 0.00 0.00 -0.50 4.33 2.10 -2.03 0.53 116.57 121.00 1fzo h LYS 58 Ca -0.25 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.40 1fzo h LYS 58 Cb 0.87 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.20 1fzo h LYS 58 CO 0.25 0.07 0.00 -0.40 -2.00 0.00 0.00 179.45 177.37 1fzo n ASP 59 N -3.83 2.68 0.00 7.07 5.68 -1.26 -4.92 116.55 121.96 1fzo n ASP 59 Ca -0.02 -2.08 0.00 0.00 -0.50 0.00 0.00 54.79 52.19 1fzo n ASP 59 Cb 0.17 -0.35 0.00 0.00 -1.14 0.00 0.00 41.12 39.79 1fzo n ASP 59 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 1fzo n TRP 60 N 0.79 0.00 -2.43 2.11 7.02 0.18 -5.02 117.44 120.10 1fzo n TRP 60 Ca 0.16 0.00 -0.36 0.00 -1.02 0.00 0.00 57.50 56.28 1fzo n TRP 60 Cb 0.45 -0.43 -0.03 0.00 -2.42 0.00 0.00 31.31 28.88 1fzo n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 1fzo s SER 61 N -2.60 6.42 0.41 -0.99 1.04 -1.26 -4.64 113.70 112.07 1fzo s SER 61 Ca 0.00 2.12 -0.13 0.00 0.48 0.00 0.00 55.95 58.42 1fzo s SER 61 Cb 0.00 -2.59 -0.07 0.00 0.10 0.00 0.00 66.02 63.46 1fzo s SER 61 CO 0.00 -0.74 0.81 -0.36 0.98 0.00 0.00 173.24 173.93 1fzo s PHE 62 N -1.68 3.44 -0.00 5.02 0.40 0.31 -1.14 117.98 124.32 1fzo s PHE 62 Ca 0.62 1.18 0.01 0.00 -0.60 0.00 0.00 56.93 58.14 1fzo s PHE 62 Cb -0.23 -2.54 -0.00 0.00 0.51 0.00 0.00 43.02 40.76 1fzo s PHE 62 CO 0.29 -0.11 -0.05 0.71 0.70 0.00 0.00 175.22 176.76 1fzo s TYR 63 N -2.33 0.43 -0.17 0.36 1.51 0.14 -0.99 117.35 116.30 1fzo s TYR 63 Ca 0.54 -0.08 -0.24 0.00 -1.01 0.00 0.00 57.07 56.27 1fzo s TYR 63 Cb -0.10 -0.28 0.06 0.00 -0.11 0.00 0.00 41.96 41.53 1fzo s TYR 63 CO 0.28 -0.01 0.63 -1.50 -1.11 0.00 0.00 175.55 173.84 1fzo s ILE 64 N -0.08 0.00 -0.10 2.71 2.07 -0.41 -1.09 121.20 124.30 1fzo s ILE 64 Ca 0.01 -0.03 0.00 0.00 -1.41 0.00 0.00 60.65 59.22 1fzo s ILE 64 Cb -0.02 -0.90 -0.02 0.00 0.13 0.00 0.00 42.46 41.64 1fzo s ILE 64 CO -0.00 -0.02 -0.10 -0.22 -1.91 0.00 0.00 174.94 172.69 1fzo s LEU 65 N -0.21 2.91 -0.13 8.50 2.96 0.51 -0.93 118.68 132.30 1fzo s LEU 65 Ca -0.04 -0.20 0.00 0.00 -0.22 0.00 0.00 54.13 53.67 1fzo s LEU 65 Cb -0.03 -1.65 -0.01 0.00 0.50 0.00 0.00 46.19 45.00 1fzo s LEU 65 CO 0.04 0.24 -0.14 0.00 -1.32 0.00 0.00 176.35 175.17 1fzo s ALA 66 N -0.12 2.59 0.05 5.97 0.00 -0.36 0.31 121.76 130.20 1fzo s ALA 66 Ca -0.00 -0.90 -0.08 0.00 0.00 0.00 0.00 51.96 50.98 1fzo s ALA 66 Cb -0.13 -1.18 -0.00 0.00 0.00 0.00 0.00 23.12 21.80 1fzo s ALA 66 CO 0.03 0.26 0.16 -3.38 0.00 0.00 0.00 175.76 172.84 1fzo s HIS 67 N 0.31 0.13 0.00 0.00 -3.43 0.28 -0.62 115.29 111.97 1fzo s HIS 67 Ca -0.11 -0.44 -0.20 0.00 -0.80 0.00 0.00 55.06 53.51 1fzo s HIS 67 Cb -0.16 -0.08 0.04 0.00 -1.43 0.00 0.00 32.58 30.95 1fzo s HIS 67 CO 0.06 -0.44 0.43 -0.08 -2.00 0.00 0.00 174.74 172.71 1fzo s THR 68 N -2.98 0.04 0.38 -5.38 -1.32 -0.38 -1.17 115.64 104.84 1fzo s THR 68 Ca -0.02 -0.37 -0.24 0.00 -1.21 0.00 0.00 61.69 59.86 1fzo s THR 68 Cb 0.01 -0.84 -0.10 0.00 -1.51 0.00 0.00 72.50 70.06 1fzo s THR 68 CO -0.06 -0.20 0.97 -1.61 -2.21 0.00 0.00 174.62 171.50 1fzo s GLU 69 N -1.80 4.37 0.03 7.08 2.02 -1.26 0.11 118.70 129.26 1fzo s GLU 69 Ca -0.09 1.30 -0.28 0.00 0.02 0.00 0.00 54.97 55.91 1fzo s GLU 69 Cb -0.02 -2.53 0.07 0.00 0.10 0.00 0.00 34.13 31.74 1fzo s GLU 69 CO 0.03 0.08 0.65 -0.59 0.02 0.00 0.00 175.26 175.45 1fzo s PHE 70 N -1.82 -0.61 -0.30 1.61 -0.71 -0.15 -4.82 117.98 111.19 1fzo s PHE 70 Ca 0.56 0.80 0.03 0.00 -1.04 0.00 0.00 56.93 57.28 1fzo s PHE 70 Cb -0.16 0.47 0.08 0.00 -1.21 0.00 0.00 43.02 42.20 1fzo s PHE 70 CO 0.21 -0.70 -0.03 0.99 -1.34 0.00 0.00 175.22 174.34 1fzo s THR 71 N -2.23 2.22 0.43 -4.49 2.01 -1.26 0.08 115.64 112.40 1fzo s THR 71 Ca -0.06 -1.99 -0.25 0.00 0.31 0.00 0.00 61.69 59.70 1fzo s THR 71 Cb -0.00 -2.48 -0.08 0.00 0.01 0.00 0.00 72.50 69.94 1fzo s THR 71 CO 0.01 -0.31 1.32 -2.16 -0.69 0.00 0.00 174.62 172.78 1fzo s PRO 72 N 1.00 3.81 0.43 4.92 0.04 -1.26 -4.76 135.00 139.19 1fzo s PRO 72 Ca 0.01 2.18 0.06 0.00 0.04 0.00 0.00 61.00 63.29 1fzo s PRO 72 Cb -0.20 -2.65 -0.07 0.00 0.04 0.00 0.00 34.50 31.62 1fzo s PRO 72 CO -0.06 -0.63 0.02 0.95 0.04 0.00 0.00 177.00 177.32 1fzo s THR 73 N -1.28 1.87 0.25 1.26 -4.23 -1.26 -0.72 115.64 111.53 1fzo s THR 73 Ca 0.60 -1.97 0.14 0.00 -1.18 0.00 0.00 61.69 59.28 1fzo s THR 73 Cb -0.38 -2.85 0.06 0.00 1.34 0.00 0.00 72.50 70.67 1fzo s THR 73 CO 0.49 0.00 1.71 -0.08 -0.54 0.00 0.00 174.62 176.20 1fzo h GLU 74 N 1.66 0.00 0.00 3.99 4.57 -1.97 -3.31 114.58 119.53 1fzo h GLU 74 Ca -0.44 0.00 -0.22 0.00 -1.18 0.00 0.00 59.36 57.52 1fzo h GLU 74 Cb 1.25 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 29.81 1fzo h GLU 74 CO 0.79 0.47 -1.65 0.25 -1.18 0.00 0.00 179.01 177.69 1fzo n THR 75 N -3.74 1.28 -2.00 0.32 -2.24 -1.26 -4.95 114.28 101.69 1fzo n THR 75 Ca -0.01 -0.73 -0.42 0.00 -2.27 0.00 0.00 64.05 60.62 1fzo n THR 75 Cb 0.53 -0.75 -0.03 0.00 -2.10 0.00 0.00 70.33 67.98 1fzo n THR 75 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1fzo s ASP 76 N -5.77 6.65 0.17 3.42 1.01 -1.25 -5.02 116.67 115.87 1fzo s ASP 76 Ca -0.05 2.62 0.08 0.00 0.71 0.00 0.00 52.55 55.91 1fzo s ASP 76 Cb 0.08 -2.61 -0.04 0.00 1.01 0.00 0.00 42.92 41.36 1fzo s ASP 76 CO 0.82 -0.74 -0.02 0.42 0.21 0.00 0.00 175.17 175.86 1fzo s THR 77 N 0.50 3.61 0.03 -1.27 -4.23 -1.26 -4.78 115.64 108.24 1fzo s THR 77 Ca 0.64 -1.46 0.01 0.00 -1.18 0.00 0.00 61.69 59.70 1fzo s THR 77 Cb -0.42 -2.80 -0.02 0.00 1.34 0.00 0.00 72.50 70.60 1fzo s THR 77 CO 0.38 -0.10 -0.05 -0.31 -0.54 0.00 0.00 174.62 174.00 1fzo s TYR 78 N -1.70 0.46 0.26 3.99 1.51 -1.26 -0.95 117.35 119.66 1fzo s TYR 78 Ca 0.27 -0.49 -0.13 0.00 -1.01 0.00 0.00 57.07 55.70 1fzo s TYR 78 Cb -0.09 -0.29 0.00 0.00 -0.11 0.00 0.00 41.96 41.47 1fzo s TYR 78 CO 0.18 -0.13 0.52 0.00 -1.11 0.00 0.00 175.55 175.00 1fzo s ALA 79 N -1.35 -0.33 -0.10 3.71 0.00 -0.53 -0.60 121.76 122.55 1fzo s ALA 79 Ca -0.12 -0.83 0.01 0.00 0.00 0.00 0.00 51.96 51.01 1fzo s ALA 79 Cb -0.10 1.04 0.02 0.00 0.00 0.00 0.00 23.12 24.08 1fzo s ALA 79 CO -0.00 -0.88 -0.10 0.00 0.00 0.00 0.00 175.76 174.77 1fzo s ARG 81 N 1.33 3.69 -0.04 0.00 3.52 0.61 -0.44 118.95 127.63 1fzo s ARG 81 Ca -0.01 -0.50 0.04 0.00 -0.13 0.00 0.00 55.73 55.13 1fzo s ARG 81 Cb -0.14 -3.01 -0.00 0.00 -1.56 0.00 0.00 34.95 30.24 1fzo s ARG 81 CO -0.05 0.16 -0.16 0.08 -0.81 0.00 0.00 175.30 174.52 1fzo s VAL 82 N 0.59 1.35 -0.13 7.11 1.01 0.82 -0.93 120.40 130.22 1fzo s VAL 82 Ca -0.01 -0.67 0.02 0.00 0.00 0.00 0.00 61.98 61.32 1fzo s VAL 82 Cb -0.14 -1.16 0.00 0.00 0.00 0.00 0.00 36.38 35.08 1fzo s VAL 82 CO 0.02 0.39 -0.20 -0.54 0.00 0.00 0.00 175.10 174.77 1fzo s LYS 83 N 0.06 3.11 -0.02 2.72 1.02 -0.43 -0.63 119.74 125.57 1fzo s LYS 83 Ca -0.04 -0.82 -0.13 0.00 0.02 0.00 0.00 55.97 55.01 1fzo s LYS 83 Cb -0.11 -2.47 0.02 0.00 -0.52 0.00 0.00 37.83 34.75 1fzo s LYS 83 CO 0.02 0.06 0.27 -1.58 -0.92 0.00 0.00 175.35 173.20 1fzo s HIS 84 N 0.67 -0.16 0.41 3.18 2.46 -1.26 -1.71 115.29 118.89 1fzo s HIS 84 Ca -0.10 0.26 0.39 0.00 0.47 0.00 0.00 55.06 56.08 1fzo s HIS 84 Cb -0.16 0.07 2.06 0.00 -0.13 0.00 0.00 32.58 34.42 1fzo s HIS 84 CO 0.02 -0.34 2.18 -0.44 -2.47 0.00 0.00 174.74 173.69 1fzo h ASP 85 N 4.20 0.00 0.86 9.88 5.19 -1.93 -1.45 116.42 133.16 1fzo h ASP 85 Ca -0.29 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.12 1fzo h ASP 85 Cb 1.18 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.69 1fzo h ASP 85 CO 0.39 0.00 0.00 -1.54 -3.12 0.00 0.00 179.24 174.97 1fzo n SER 86 N -2.88 0.12 -4.19 6.45 3.41 -1.26 -4.70 113.62 110.57 1fzo n SER 86 Ca -0.02 0.52 -0.30 0.00 -0.26 0.00 0.00 58.87 58.80 1fzo n SER 86 Cb 0.08 -0.55 -0.17 0.00 -0.26 0.00 0.00 64.21 63.32 1fzo n SER 86 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 1fzo s MET 87 N -3.03 2.72 0.12 4.33 -1.94 -0.55 -4.92 119.30 116.03 1fzo s MET 87 Ca 0.11 -0.79 -0.17 0.00 -1.71 0.00 0.00 55.69 53.13 1fzo s MET 87 Cb 0.15 -2.10 -0.02 0.00 2.01 0.00 0.00 34.83 34.86 1fzo s MET 87 CO 0.44 0.17 1.66 0.00 -0.01 0.00 0.00 175.02 177.29 1fzo h ALA 88 N 6.68 0.47 -3.27 3.03 0.00 -1.84 -3.43 119.26 120.91 1fzo h ALA 88 Ca -0.23 -0.14 -0.64 0.00 0.00 0.00 0.00 54.91 53.90 1fzo h ALA 88 Cb 1.22 -0.14 -0.12 0.00 0.00 0.00 0.00 17.79 18.75 1fzo h ALA 88 CO 0.47 0.09 -0.66 -1.21 0.00 0.00 0.00 179.25 177.94 1fzo s GLU 89 N -5.51 2.54 0.62 0.00 0.41 -1.26 -5.08 118.70 110.42 1fzo s GLU 89 Ca -0.13 -0.87 -0.19 0.00 -0.41 0.00 0.00 54.97 53.37 1fzo s GLU 89 Cb 0.10 -2.52 -0.02 0.00 -1.78 0.00 0.00 34.13 29.90 1fzo s GLU 89 CO 0.75 0.53 1.26 -2.14 -0.49 0.00 0.00 175.26 175.16 1fzo s PRO 90 N -2.42 2.76 -0.15 0.39 0.02 -1.26 -4.88 135.00 129.46 1fzo s PRO 90 Ca 0.26 1.97 -0.00 0.00 0.02 0.00 0.00 61.00 63.25 1fzo s PRO 90 Cb -0.11 -1.90 -0.01 0.00 0.02 0.00 0.00 34.50 32.50 1fzo s PRO 90 CO 0.19 -1.41 -0.14 0.21 -0.33 0.00 0.00 177.00 175.52 1fzo s LYS 91 N -3.33 3.29 -0.22 5.54 2.20 0.20 -4.94 119.74 122.48 1fzo s LYS 91 Ca 0.80 -0.72 -0.04 0.00 -0.36 0.00 0.00 55.97 55.65 1fzo s LYS 91 Cb -0.35 -2.65 -0.01 0.00 -1.51 0.00 0.00 37.83 33.31 1fzo s LYS 91 CO 0.37 0.08 -0.03 0.99 -0.36 0.00 0.00 175.35 176.40 1fzo s THR 92 N 0.69 3.50 -0.24 3.43 2.01 -1.26 -0.12 115.64 123.64 1fzo s THR 92 Ca -0.07 -0.45 -0.03 0.00 0.31 0.00 0.00 61.69 61.46 1fzo s THR 92 Cb -0.15 -2.59 0.02 0.00 0.01 0.00 0.00 72.50 69.78 1fzo s THR 92 CO 0.02 0.42 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.63 1fzo s VAL 93 N 1.42 3.09 0.42 3.82 1.01 0.42 -4.93 120.40 125.65 1fzo s VAL 93 Ca 0.05 -0.85 -0.17 0.00 0.00 0.00 0.00 61.98 61.00 1fzo s VAL 93 Cb -0.14 -2.52 -0.09 0.00 0.00 0.00 0.00 36.38 33.62 1fzo s VAL 93 CO -0.02 0.25 0.88 -0.31 0.00 0.00 0.00 175.10 175.91 1fzo s TYR 94 N 1.38 3.38 0.12 5.22 1.51 -1.26 -0.65 117.35 127.05 1fzo s TYR 94 Ca 0.02 1.41 -0.31 0.00 -1.01 0.00 0.00 57.07 57.18 1fzo s TYR 94 Cb -0.16 -2.71 -0.07 0.00 -0.11 0.00 0.00 41.96 38.91 1fzo s TYR 94 CO -0.04 -0.12 1.26 -0.46 -1.11 0.00 0.00 175.55 175.08 1fzo s TRP 95 N -2.26 3.37 -0.52 2.71 -0.00 0.23 -4.87 118.94 117.59 1fzo s TRP 95 Ca 0.58 1.24 -0.06 0.00 -0.00 0.00 0.00 56.10 57.86 1fzo s TRP 95 Cb -0.10 -3.51 0.14 0.00 -0.00 0.00 0.00 33.47 30.00 1fzo s TRP 95 CO 0.21 -1.60 0.36 0.34 -0.00 0.00 0.00 176.95 176.26 1fzo s ASP 96 N 0.74 5.53 0.00 5.86 -1.08 -1.26 -4.79 116.67 121.66 1fzo s ASP 96 Ca 0.58 -2.27 0.12 0.00 -0.52 0.00 0.00 52.55 50.46 1fzo s ASP 96 Cb -0.33 -1.93 0.60 0.00 -1.46 0.00 0.00 42.92 39.80 1fzo s ASP 96 CO 0.32 -0.55 1.29 -2.11 0.52 0.00 0.00 175.17 174.64 1fzo n ARG 97 N 4.35 0.17 0.00 4.34 1.85 -1.26 -2.26 116.66 123.85 1fzo n ARG 97 Ca -0.00 0.17 0.08 0.00 -1.00 0.00 0.00 57.85 57.10 1fzo n ARG 97 Cb 0.41 -1.50 0.03 0.00 -1.05 0.00 0.00 32.46 30.35 1fzo n ARG 97 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 1fzo n ASP 98 N -1.29 1.98 0.00 2.89 8.00 -1.26 -4.82 116.55 122.05 1fzo n ASP 98 Ca 0.06 -1.49 0.00 0.00 0.71 0.00 0.00 54.79 54.07 1fzo n ASP 98 Cb 0.10 0.24 0.00 0.00 -0.02 0.00 0.00 41.12 41.43 1fzo n ASP 98 CO 0.00 0.00 0.00 0.80 -0.39 0.00 0.00 177.20 177.61