#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f04 n VAL 4 N 0.00 -2.51 -3.45 0.00 0.31 -1.26 -4.79 118.33 106.64 1f04 n VAL 4 Ca 0.00 1.20 -0.42 0.00 -0.01 0.00 0.00 64.34 65.11 1f04 n VAL 4 Cb 0.00 -1.92 -0.03 0.00 -0.91 0.00 0.00 33.84 30.98 1f04 n VAL 4 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 1f04 s LYS 5 N -4.93 3.72 0.95 5.55 2.20 -1.26 -5.06 119.74 120.91 1f04 s LYS 5 Ca 0.00 -3.07 -0.11 0.00 -0.36 0.00 0.00 55.97 52.43 1f04 s LYS 5 Cb 0.00 -4.30 0.16 0.00 -1.51 0.00 0.00 37.83 32.18 1f04 s LYS 5 CO 0.00 -1.25 1.10 0.71 -0.36 0.00 0.00 175.35 175.55 1f04 s TYR 6 N -0.98 1.79 -0.04 4.03 2.02 -1.26 -4.55 117.35 118.37 1f04 s TYR 6 Ca 0.27 1.53 0.04 0.00 -0.37 0.00 0.00 57.07 58.54 1f04 s TYR 6 Cb -0.10 -3.22 -0.00 0.00 -0.40 0.00 0.00 41.96 38.24 1f04 s TYR 6 CO -0.09 -2.86 -0.15 0.71 -1.57 0.00 0.00 175.55 171.58 1f04 s TYR 7 N -2.69 1.50 0.55 2.71 2.02 -0.42 -4.79 117.35 116.23 1f04 s TYR 7 Ca 0.66 -0.40 -0.16 0.00 -0.37 0.00 0.00 57.07 56.79 1f04 s TYR 7 Cb -0.22 -1.02 -0.06 0.00 -0.40 0.00 0.00 41.96 40.27 1f04 s TYR 7 CO 0.59 -0.13 1.02 0.95 -1.57 0.00 0.00 175.55 176.41 1f04 s THR 8 N 0.02 4.18 0.32 -0.71 -4.23 -1.26 -0.88 115.64 113.09 1f04 s THR 8 Ca -0.02 1.06 0.09 0.00 -1.18 0.00 0.00 61.69 61.64 1f04 s THR 8 Cb -0.10 -3.56 0.31 0.00 1.34 0.00 0.00 72.50 70.49 1f04 s THR 8 CO 0.01 -0.59 1.73 0.25 -0.54 0.00 0.00 174.62 175.49 1f04 h LEU 9 N 0.75 0.68 0.26 4.79 6.46 -1.98 -0.71 115.31 125.56 1f04 h LEU 9 Ca -0.47 0.13 -0.01 0.00 -0.12 0.00 0.00 57.88 57.42 1f04 h LEU 9 Cb 1.20 0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 41.15 1f04 h LEU 9 CO 0.60 0.11 -0.24 -0.08 -0.62 0.00 0.00 178.44 178.21 1f04 h GLU 10 N 0.59 -0.48 -0.73 1.25 4.57 -1.98 0.39 114.58 118.20 1f04 h GLU 10 Ca 0.64 0.03 0.14 0.00 -1.18 0.00 0.00 59.36 58.99 1f04 h GLU 10 Cb 1.21 0.11 -0.09 0.00 -0.16 0.00 0.00 28.75 29.81 1f04 h GLU 10 CO -0.47 -0.32 0.26 0.93 -1.18 0.00 0.00 179.01 178.24 1f04 h GLU 11 N -0.49 0.39 -0.10 1.92 3.07 -1.76 0.16 114.58 117.77 1f04 h GLU 11 Ca -0.03 -0.02 -0.00 0.00 -0.50 0.00 0.00 59.36 58.80 1f04 h GLU 11 Cb 0.42 -0.09 -0.00 0.00 -0.84 0.00 0.00 28.75 28.24 1f04 h GLU 11 CO -0.02 0.26 0.06 0.82 -1.40 0.00 0.00 179.01 178.73 1f04 h ILE 12 N 0.40 1.07 -0.68 3.13 2.04 -1.05 -2.82 117.51 119.60 1f04 h ILE 12 Ca 0.40 -0.17 0.13 0.00 1.00 0.00 0.00 64.86 66.22 1f04 h ILE 12 Cb 0.61 1.00 -0.09 0.00 -0.74 0.00 0.00 36.82 37.59 1f04 h ILE 12 CO -0.41 0.06 0.19 1.56 0.00 0.00 0.00 178.15 179.55 1f04 h GLN 13 N 0.10 0.31 -1.12 2.37 1.08 0.15 -0.46 115.11 117.54 1f04 h GLN 13 Ca 0.04 -0.02 0.31 0.00 -1.45 0.00 0.00 58.65 57.53 1f04 h GLN 13 Cb 0.04 -0.07 -0.06 0.00 -0.05 0.00 0.00 27.48 27.34 1f04 h GLN 13 CO -0.01 0.20 0.78 0.87 -0.95 0.00 0.00 178.83 179.72 1f04 h LYS 14 N 0.32 0.13 -3.68 1.46 1.79 -0.50 -2.93 116.57 113.16 1f04 h LYS 14 Ca 0.37 -0.01 -0.75 0.00 -2.18 0.00 0.00 60.65 58.08 1f04 h LYS 14 Cb 0.57 -0.03 -0.15 0.00 -1.58 0.00 0.00 32.23 31.04 1f04 h LYS 14 CO -0.43 0.09 2.00 0.72 -1.08 0.00 0.00 179.45 180.75 1f04 n HIS 15 N -4.35 3.20 -1.93 -1.35 8.25 -0.18 -4.47 115.22 114.39 1f04 n HIS 15 Ca 0.25 -2.86 0.02 0.00 -0.26 0.00 0.00 57.72 54.87 1f04 n HIS 15 Cb 1.11 -2.00 0.02 0.00 1.12 0.00 0.00 29.99 30.24 1f04 n HIS 15 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1f04 n ASN 16 N 4.18 0.43 -3.74 0.41 0.23 -1.02 -2.53 115.26 113.22 1f04 n ASN 16 Ca 0.40 -2.17 -0.04 0.00 -0.53 0.00 0.00 54.58 52.24 1f04 n ASN 16 Cb 0.37 -0.25 -0.01 0.00 -2.08 0.00 0.00 39.78 37.81 1f04 n ASN 16 CO 0.00 0.00 0.00 0.21 -0.93 0.00 0.00 177.26 176.54 1f04 s ASN 17 N -1.38 -0.20 0.00 0.53 2.47 -1.16 -4.97 114.94 110.24 1f04 s ASN 17 Ca 0.08 -0.38 0.00 0.00 0.42 0.00 0.00 52.86 52.99 1f04 s ASN 17 Cb 0.08 0.49 0.00 0.00 -1.45 0.00 0.00 41.25 40.37 1f04 s ASN 17 CO -0.02 -0.89 0.00 -1.20 -3.72 0.00 0.00 177.10 171.27 1f04 n SER 18 N -0.45 0.00 0.00 -4.21 7.64 -1.26 -2.91 113.62 112.42 1f04 n SER 18 Ca -0.06 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.82 1f04 n SER 18 Cb 0.61 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.81 1f04 n SER 18 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1f04 n LYS 19 N 0.00 0.00 -1.42 1.43 4.81 -1.26 -5.09 118.16 116.63 1f04 n LYS 19 Ca 0.00 0.00 -0.56 0.00 -0.87 0.00 0.00 58.31 56.88 1f04 n LYS 19 Cb 0.00 -0.11 -0.09 0.00 0.02 0.00 0.00 35.03 34.85 1f04 n LYS 19 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 1f04 n SER 20 N -1.71 1.59 -3.65 3.14 7.64 -1.15 -4.71 113.62 114.77 1f04 n SER 20 Ca 0.00 0.63 -0.29 0.00 1.01 0.00 0.00 58.87 60.22 1f04 n SER 20 Cb 0.00 -1.09 -0.13 0.00 -1.01 0.00 0.00 64.21 61.98 1f04 n SER 20 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1f04 s THR 21 N 6.17 1.01 0.58 0.44 2.01 -1.25 -2.43 115.64 122.15 1f04 s THR 21 Ca 1.12 -2.17 0.08 0.00 0.31 0.00 0.00 61.69 61.03 1f04 s THR 21 Cb -1.16 -1.72 0.08 0.00 0.01 0.00 0.00 72.50 69.71 1f04 s THR 21 CO 0.59 -0.89 0.66 0.79 -0.69 0.00 0.00 174.62 175.08 1f04 n TRP 22 N 3.86 -1.62 0.00 4.92 7.02 -1.05 -2.85 117.44 127.72 1f04 n TRP 22 Ca 0.08 -2.23 0.00 0.00 -1.02 0.00 0.00 57.50 54.33 1f04 n TRP 22 Cb 0.36 -0.52 0.00 0.00 -2.42 0.00 0.00 31.31 28.73 1f04 n TRP 22 CO 0.00 0.00 0.00 1.47 -2.02 0.00 0.00 177.69 177.14 1f04 n LEU 23 N 0.00 0.00 -4.28 -0.99 -0.00 -1.25 -0.05 117.00 110.44 1f04 n LEU 23 Ca 0.09 0.00 -0.35 0.00 -0.00 0.00 0.00 56.01 55.75 1f04 n LEU 23 Cb 0.62 0.00 -0.14 0.00 -0.00 0.00 0.00 43.42 43.90 1f04 n LEU 23 CO 0.39 0.00 -0.39 -0.63 -0.00 0.00 0.00 177.39 176.76 1f04 s ILE 24 N -2.00 3.25 -0.33 1.47 1.01 -0.01 -2.93 121.20 121.65 1f04 s ILE 24 Ca 0.00 -0.66 0.04 0.00 0.00 0.00 0.00 60.65 60.02 1f04 s ILE 24 Cb 0.00 -2.54 0.10 0.00 0.01 0.00 0.00 42.46 40.03 1f04 s ILE 24 CO 0.00 0.34 0.05 -0.76 0.00 0.00 0.00 174.94 174.57 1f04 s LEU 25 N 1.44 4.56 -1.07 2.97 1.02 -0.05 -1.36 118.68 126.19 1f04 s LEU 25 Ca 0.04 -2.09 -0.03 0.00 0.02 0.00 0.00 54.13 52.07 1f04 s LEU 25 Cb -0.15 -1.58 -0.04 0.00 0.02 0.00 0.00 46.19 44.44 1f04 s LEU 25 CO -0.04 -0.37 0.91 1.41 0.02 0.00 0.00 176.35 178.28 1f04 n HIS 26 N 4.29 -2.24 -1.11 0.29 8.25 -1.26 -2.32 115.22 121.12 1f04 n HIS 26 Ca 0.03 0.86 -0.04 0.00 -0.26 0.00 0.00 57.72 58.31 1f04 n HIS 26 Cb 0.42 -4.46 -0.02 0.00 1.12 0.00 0.00 29.99 27.05 1f04 n HIS 26 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1f04 n TYR 27 N -3.53 0.00 -5.23 4.41 4.02 -1.26 -4.97 117.16 110.60 1f04 n TYR 27 Ca -0.16 0.00 -0.30 0.00 -0.01 0.00 0.00 57.90 57.42 1f04 n TYR 27 Cb 0.64 -2.02 -0.16 0.00 -0.02 0.00 0.00 39.34 37.77 1f04 n TYR 27 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 176.86 176.00 1f04 s LYS 28 N -2.11 2.17 -0.15 -0.72 1.02 -0.98 -0.38 119.74 118.59 1f04 s LYS 28 Ca 0.00 -0.88 -0.12 0.00 0.02 0.00 0.00 55.97 55.00 1f04 s LYS 28 Cb 0.00 -1.99 -0.05 0.00 -0.52 0.00 0.00 37.83 35.27 1f04 s LYS 28 CO 0.00 0.47 0.23 0.08 -0.92 0.00 0.00 175.35 175.22 1f04 s VAL 29 N -0.42 5.34 -0.13 3.17 1.01 0.70 -0.87 120.40 129.19 1f04 s VAL 29 Ca 0.05 0.42 -0.00 0.00 0.00 0.00 0.00 61.98 62.45 1f04 s VAL 29 Cb -0.11 -3.55 0.02 0.00 0.00 0.00 0.00 36.38 32.74 1f04 s VAL 29 CO 0.01 0.47 -0.11 -0.31 0.00 0.00 0.00 175.10 175.16 1f04 s TYR 30 N -0.02 1.81 -0.50 5.22 1.51 -1.15 -1.88 117.35 122.35 1f04 s TYR 30 Ca 0.15 -0.97 -0.24 0.00 -1.01 0.00 0.00 57.07 55.00 1f04 s TYR 30 Cb -0.13 -1.41 0.04 0.00 -0.11 0.00 0.00 41.96 40.35 1f04 s TYR 30 CO 0.03 -0.59 0.86 0.34 -1.11 0.00 0.00 175.55 175.08 1f04 s ASP 31 N 1.60 6.38 -0.17 2.29 2.15 -1.09 -3.81 116.67 124.01 1f04 s ASP 31 Ca 0.05 -0.25 0.16 0.00 0.43 0.00 0.00 52.55 52.93 1f04 s ASP 31 Cb -0.13 -2.41 0.39 0.00 -0.30 0.00 0.00 42.92 40.47 1f04 s ASP 31 CO -0.09 -1.07 1.25 0.18 -0.17 0.00 0.00 175.17 175.27 1f04 n LEU 32 N 7.05 2.93 -0.17 -1.34 4.77 -1.13 -4.76 117.00 124.34 1f04 n LEU 32 Ca 0.02 -3.32 0.02 0.00 -0.03 0.00 0.00 56.01 52.71 1f04 n LEU 32 Cb 0.48 -0.50 0.30 0.00 -2.33 0.00 0.00 43.42 41.37 1f04 n LEU 32 CO 0.61 0.90 1.22 0.00 -1.33 0.00 0.00 177.39 178.80 1f04 h THR 33 N 0.67 1.14 -0.87 -5.08 1.03 -1.84 0.22 112.91 108.17 1f04 h THR 33 Ca 0.03 -0.31 -0.51 0.00 -0.01 0.00 0.00 66.41 65.60 1f04 h THR 33 Cb 1.16 0.17 -0.26 0.00 -1.07 0.00 0.00 68.15 68.16 1f04 h THR 33 CO 0.09 0.16 0.66 0.29 -0.01 0.00 0.00 175.52 176.71 1f04 n LYS 34 N -4.44 2.26 -0.28 0.00 5.02 -1.26 -3.88 118.16 115.58 1f04 n LYS 34 Ca 0.08 -2.73 0.00 0.00 -2.02 0.00 0.00 58.31 53.64 1f04 n LYS 34 Cb 0.08 -2.07 0.00 0.00 -0.02 0.00 0.00 35.03 33.02 1f04 n LYS 34 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1f04 n PHE 35 N -0.79 0.00 0.24 2.13 7.35 0.73 -4.89 117.46 122.24 1f04 n PHE 35 Ca 0.53 0.00 -0.10 0.00 -0.76 0.00 0.00 57.45 57.12 1f04 n PHE 35 Cb 1.13 0.01 -0.05 0.00 0.35 0.00 0.00 39.48 40.92 1f04 n PHE 35 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 1f04 h LEU 36 N 0.00 -0.55 -1.61 -2.13 3.38 -1.58 0.32 115.31 113.13 1f04 h LEU 36 Ca 0.00 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 1f04 h LEU 36 Cb 1.18 0.14 -0.01 0.00 0.09 0.00 0.00 40.66 42.06 1f04 h LEU 36 CO 0.00 -0.27 0.02 1.05 0.09 0.00 0.00 178.44 179.33 1f04 h GLU 37 N -0.90 0.26 -0.06 1.13 4.11 -1.91 -2.96 114.58 114.25 1f04 h GLU 37 Ca -0.07 -0.03 -0.08 0.00 0.07 0.00 0.00 59.36 59.25 1f04 h GLU 37 Cb 0.50 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.70 1f04 h GLU 37 CO 0.11 0.27 -0.28 0.93 0.07 0.00 0.00 179.01 180.12 1f04 h GLU 38 N 0.26 0.30 -5.88 1.06 5.08 -1.89 -3.45 114.58 110.06 1f04 h GLU 38 Ca 0.06 -0.24 -0.64 0.00 -1.00 0.00 0.00 59.36 57.55 1f04 h GLU 38 Cb 0.15 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 1f04 h GLU 38 CO 0.00 0.88 1.46 1.58 -1.00 0.00 0.00 179.01 181.93 1f04 n HIS 39 N -4.47 1.51 -1.25 4.33 -0.00 0.11 -4.80 115.22 110.65 1f04 n HIS 39 Ca -0.08 0.27 -0.36 0.00 0.46 0.00 0.00 57.72 58.00 1f04 n HIS 39 Cb 0.48 -2.53 -0.02 0.00 -0.12 0.00 0.00 29.99 27.79 1f04 n HIS 39 CO 0.00 0.00 0.00 -0.35 0.46 0.00 0.00 176.34 176.45 1f04 n PRO 40 N 8.30 3.03 0.00 1.57 -0.04 -1.26 -3.36 135.00 143.24 1f04 n PRO 40 Ca 0.43 -2.09 0.00 0.00 -0.04 0.00 0.00 63.50 61.80 1f04 n PRO 40 Cb 0.24 -2.83 0.00 0.00 -0.04 0.00 0.00 33.50 30.88 1f04 n PRO 40 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1f04 n GLY 41 N 3.79 -0.30 0.00 0.55 0.00 -1.26 -5.13 105.19 102.83 1f04 n GLY 41 Ca 0.64 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.68 1f04 n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1f04 n GLY 42 N -0.09 2.28 0.35 -0.02 0.00 -1.21 -4.97 105.19 101.53 1f04 n GLY 42 Ca 0.00 0.12 0.03 0.00 0.00 0.00 0.00 46.02 46.17 1f04 n GLY 42 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1f04 h GLU 43 N 0.00 0.93 0.53 1.61 9.09 -1.81 -0.33 114.58 124.60 1f04 h GLU 43 Ca 0.00 -0.06 -0.02 0.00 0.05 0.00 0.00 59.36 59.34 1f04 h GLU 43 Cb 0.00 -0.21 -0.02 0.00 -1.65 0.00 0.00 28.75 26.87 1f04 h GLU 43 CO 0.00 0.61 -0.44 0.00 0.05 0.00 0.00 179.01 179.23 1f04 h ALA 44 N 1.54 -1.03 -0.47 1.06 0.00 -1.94 0.40 119.26 118.83 1f04 h ALA 44 Ca 0.31 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 1f04 h ALA 44 Cb 0.06 0.61 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 1f04 h ALA 44 CO -0.09 -1.11 0.11 -0.24 0.00 0.00 0.00 179.25 177.92 1f04 h VAL 45 N -0.96 1.24 -0.82 0.00 3.04 -1.91 0.18 116.25 117.02 1f04 h VAL 45 Ca -0.06 -0.83 0.10 0.00 -1.01 0.00 0.00 66.70 64.90 1f04 h VAL 45 Cb 0.82 0.88 -0.06 0.00 -2.01 0.00 0.00 31.29 30.92 1f04 h VAL 45 CO -0.01 0.30 0.53 0.25 -1.01 0.00 0.00 177.57 177.63 1f04 h LEU 46 N 0.63 0.69 -0.06 3.16 6.46 -0.79 -1.19 115.31 124.22 1f04 h LEU 46 Ca 0.15 0.02 -0.16 0.00 -0.12 0.00 0.00 57.88 57.77 1f04 h LEU 46 Cb 0.33 -0.13 0.01 0.00 -0.73 0.00 0.00 40.66 40.14 1f04 h LEU 46 CO 0.00 0.41 -0.57 -0.09 -0.62 0.00 0.00 178.44 177.57 1f04 h ARG 47 N 0.77 0.49 -0.17 1.25 9.65 0.31 -2.32 114.38 124.35 1f04 h ARG 47 Ca 0.38 -0.45 -0.01 0.00 -1.10 0.00 0.00 59.98 58.80 1f04 h ARG 47 Cb 0.43 0.11 -0.01 0.00 -1.39 0.00 0.00 29.97 29.11 1f04 h ARG 47 CO -0.15 1.09 0.08 0.00 2.80 0.00 0.00 179.97 183.79 1f04 h ALA 48 N 0.41 0.23 0.00 2.80 0.00 -0.12 -1.81 119.26 120.77 1f04 h ALA 48 Ca -0.06 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1f04 h ALA 48 Cb 1.25 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1f04 h ALA 48 CO 0.12 -0.21 0.00 1.04 0.00 0.00 0.00 179.25 180.20 1f04 n GLN 49 N -4.88 0.00 -1.29 0.00 3.00 -0.50 -4.84 117.38 108.87 1f04 n GLN 49 Ca -0.04 0.13 -0.35 0.00 -0.01 0.00 0.00 57.00 56.73 1f04 n GLN 49 Cb 0.10 -1.51 0.11 0.00 0.00 0.00 0.00 30.24 28.94 1f04 n GLN 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1f04 n ALA 50 N -1.50 0.13 -3.45 -1.58 0.00 -0.68 -3.65 120.51 109.77 1f04 n ALA 50 Ca 0.05 -0.23 -0.20 0.00 0.00 0.00 0.00 53.44 53.06 1f04 n ALA 50 Cb 0.26 -2.23 0.06 0.00 0.00 0.00 0.00 19.45 17.54 1f04 n ALA 50 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1f04 n GLY 51 N 0.78 -0.84 0.00 0.00 0.00 0.93 -4.81 105.19 101.25 1f04 n GLY 51 Ca 0.14 0.40 0.00 0.00 0.00 0.00 0.00 46.02 46.56 1f04 n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1f04 n GLY 52 N -1.37 -1.32 3.69 -0.02 0.00 -1.24 -4.36 105.19 100.58 1f04 n GLY 52 Ca -0.15 -1.00 -0.42 0.00 0.00 0.00 0.00 46.02 44.44 1f04 n GLY 52 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1f04 s ASP 53 N -1.02 6.95 -0.10 1.61 -1.08 -1.26 -0.83 116.67 120.94 1f04 s ASP 53 Ca 0.00 2.01 0.13 0.00 -0.52 0.00 0.00 52.55 54.18 1f04 s ASP 53 Cb 0.00 -2.56 0.26 0.00 -1.46 0.00 0.00 42.92 39.16 1f04 s ASP 53 CO 0.00 -0.63 1.13 0.00 0.52 0.00 0.00 175.17 176.19 1f04 n ALA 54 N 4.97 2.50 0.17 3.66 0.00 -0.46 -4.88 120.51 126.46 1f04 n ALA 54 Ca 0.12 -2.33 -0.13 0.00 0.00 0.00 0.00 53.44 51.09 1f04 n ALA 54 Cb 0.45 -0.45 -0.08 0.00 0.00 0.00 0.00 19.45 19.37 1f04 n ALA 54 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1f04 h THR 55 N 2.78 0.64 -0.57 0.00 2.02 -1.85 0.22 112.91 116.15 1f04 h THR 55 Ca -0.03 -0.59 0.00 0.00 0.77 0.00 0.00 66.41 66.57 1f04 h THR 55 Cb 1.21 0.92 -0.03 0.00 -1.74 0.00 0.00 68.15 68.50 1f04 h THR 55 CO 0.01 0.11 0.36 0.00 0.37 0.00 0.00 175.52 176.36 1f04 h ALA 56 N -0.30 1.56 0.03 6.16 0.00 -1.90 -0.05 119.26 124.75 1f04 h ALA 56 Ca -0.05 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 1f04 h ALA 56 Cb 0.52 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1f04 h ALA 56 CO 0.08 0.40 -0.01 -0.97 0.00 0.00 0.00 179.25 178.74 1f04 h ASN 57 N 0.78 -0.03 0.06 0.00 -0.73 -1.87 -0.00 115.58 113.78 1f04 h ASN 57 Ca 0.21 -0.40 0.03 0.00 1.87 0.00 0.00 56.30 58.00 1f04 h ASN 57 Cb -0.05 0.01 -0.04 0.00 0.27 0.00 0.00 38.32 38.50 1f04 h ASN 57 CO -0.04 0.39 -0.29 0.15 -0.37 0.00 0.00 177.43 177.27 1f04 h PHE 58 N -0.46 -0.78 -0.37 0.67 3.04 -0.27 -2.18 116.94 116.59 1f04 h PHE 58 Ca -0.00 0.02 -0.12 0.00 3.98 0.00 0.00 57.97 61.85 1f04 h PHE 58 Cb 0.43 0.34 -0.01 0.00 2.56 0.00 0.00 35.95 39.26 1f04 h PHE 58 CO 0.07 -0.39 -0.25 1.05 -2.02 0.00 0.00 178.31 176.77 1f04 h GLU 59 N -0.47 0.75 -0.46 1.11 -0.00 -1.04 0.12 114.58 114.59 1f04 h GLU 59 Ca 0.05 -0.31 0.08 0.00 -0.00 0.00 0.00 59.36 59.18 1f04 h GLU 59 Cb 0.53 -0.03 -0.07 0.00 -0.00 0.00 0.00 28.75 29.18 1f04 h GLU 59 CO -0.21 0.92 0.05 0.00 -0.00 0.00 0.00 179.01 179.77 1f04 h ALA 60 N 1.07 0.47 0.04 1.06 0.00 -0.83 -1.69 119.26 119.38 1f04 h ALA 60 Ca 0.08 0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 1f04 h ALA 60 Cb 0.76 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1f04 h ALA 60 CO 0.06 -0.35 -0.02 0.28 0.00 0.00 0.00 179.25 179.22 1f04 h VAL 61 N 0.17 1.14 0.00 0.00 2.07 -1.16 -3.50 116.25 114.96 1f04 h VAL 61 Ca 0.23 -0.58 0.00 0.00 0.82 0.00 0.00 66.70 67.17 1f04 h VAL 61 Cb 0.32 1.52 0.00 0.00 -1.52 0.00 0.00 31.29 31.62 1f04 h VAL 61 CO -0.34 0.15 0.00 0.61 0.02 0.00 0.00 177.57 178.00 1f04 n GLY 62 N -0.42 0.12 3.47 2.17 0.00 0.01 -5.11 105.19 105.43 1f04 n GLY 62 Ca -0.08 -1.63 -0.13 0.00 0.00 0.00 0.00 46.02 44.17 1f04 n GLY 62 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1f04 s HIS 63 N -2.93 -0.63 0.00 1.61 3.76 -1.26 -4.96 115.29 110.89 1f04 s HIS 63 Ca 0.00 1.53 0.00 0.00 -0.15 0.00 0.00 55.06 56.44 1f04 s HIS 63 Cb 0.00 0.22 0.00 0.00 1.11 0.00 0.00 32.58 33.91 1f04 s HIS 63 CO 0.00 -0.30 0.00 0.45 -0.85 0.00 0.00 174.74 174.04 1f04 n SER 64 N 2.80 0.00 0.38 1.40 2.88 -1.26 -4.72 113.62 115.10 1f04 n SER 64 Ca -0.14 -0.95 -0.15 0.00 -1.33 0.00 0.00 58.87 56.31 1f04 n SER 64 Cb 0.56 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.95 1f04 n SER 64 CO 0.00 0.00 0.00 0.71 -1.23 0.00 0.00 175.04 174.52 1f04 h THR 65 N -0.79 0.00 -1.06 2.46 1.35 -2.03 0.25 112.91 113.10 1f04 h THR 65 Ca 0.00 -0.01 0.28 0.00 -0.55 0.00 0.00 66.41 66.13 1f04 h THR 65 Cb 0.00 0.00 -0.11 0.00 -1.73 0.00 0.00 68.15 66.31 1f04 h THR 65 CO 0.00 0.00 0.66 -0.78 -0.25 0.00 0.00 175.52 175.15 1f04 h ASP 66 N -0.98 0.49 0.30 5.36 1.82 -1.98 0.12 116.42 121.56 1f04 h ASP 66 Ca -0.10 0.11 -0.01 0.00 -0.39 0.00 0.00 57.03 56.64 1f04 h ASP 66 Cb 0.74 0.04 0.00 0.00 0.68 0.00 0.00 39.33 40.79 1f04 h ASP 66 CO 0.16 0.05 -0.15 0.00 -1.61 0.00 0.00 179.24 177.69 1f04 h ALA 67 N 1.66 -0.41 0.00 -0.78 0.00 -1.80 0.38 119.26 118.31 1f04 h ALA 67 Ca 0.64 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.37 1f04 h ALA 67 Cb 1.56 0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.51 1f04 h ALA 67 CO -0.37 -0.58 0.00 0.07 0.00 0.00 0.00 179.25 178.37 1f04 h ARG 68 N -0.71 0.00 0.10 0.00 0.11 0.23 -0.47 114.38 113.63 1f04 h ARG 68 Ca -0.04 0.00 -0.29 0.00 0.10 0.00 0.00 59.98 59.75 1f04 h ARG 68 Cb 0.49 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.56 1f04 h ARG 68 CO 0.07 0.00 -1.53 0.93 0.10 0.00 0.00 179.97 179.54 1f04 h GLU 69 N 0.00 0.21 0.09 0.08 4.39 -0.96 -3.34 114.58 115.05 1f04 h GLU 69 Ca 0.00 -0.35 0.02 0.00 0.34 0.00 0.00 59.36 59.36 1f04 h GLU 69 Cb 0.30 0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 29.05 1f04 h GLU 69 CO 0.00 1.17 -0.20 1.25 -1.16 0.00 0.00 179.01 180.07 1f04 h LEU 70 N -0.33 -0.57 -0.96 1.33 5.85 0.31 -1.14 115.31 119.81 1f04 h LEU 70 Ca -0.34 0.07 0.19 0.00 0.84 0.00 0.00 57.88 58.64 1f04 h LEU 70 Cb 1.75 0.22 -0.18 0.00 0.37 0.00 0.00 40.66 42.82 1f04 h LEU 70 CO 0.02 -0.28 -0.25 0.77 -0.34 0.00 0.00 178.44 178.36 1f04 h SER 71 N -0.37 -0.92 -0.92 1.25 4.64 -1.30 0.50 113.55 116.43 1f04 h SER 71 Ca 0.03 0.29 0.10 0.00 -0.47 0.00 0.00 61.79 61.74 1f04 h SER 71 Cb 0.40 0.60 -0.07 0.00 -0.31 0.00 0.00 62.40 63.03 1f04 h SER 71 CO -0.13 -0.32 0.59 0.11 -0.87 0.00 0.00 176.83 176.22 1f04 h LYS 72 N -0.00 0.89 0.00 4.77 1.57 -1.33 0.28 116.57 122.74 1f04 h LYS 72 Ca 0.46 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 59.18 1f04 h LYS 72 Cb 0.70 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.81 1f04 h LYS 72 CO -0.99 0.59 0.00 2.41 -0.57 0.00 0.00 179.45 180.89 1f04 n THR 73 N -4.54 0.98 0.35 -0.16 -1.04 0.17 -1.76 114.28 108.28 1f04 n THR 73 Ca 0.16 0.48 0.06 0.00 -2.04 0.00 0.00 64.05 62.70 1f04 n THR 73 Cb 0.31 -1.44 0.07 0.00 -1.82 0.00 0.00 70.33 67.45 1f04 n THR 73 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 1f04 n PHE 74 N -2.20 0.09 -1.87 -1.42 3.72 0.80 -5.01 117.46 111.57 1f04 n PHE 74 Ca 0.00 -0.10 -0.42 0.00 -0.05 0.00 0.00 57.45 56.89 1f04 n PHE 74 Cb 0.13 -0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.64 1f04 n PHE 74 CO 0.00 0.00 0.00 -1.50 -0.05 0.00 0.00 176.76 175.21 1f04 s ILE 75 N -0.96 2.37 -0.10 4.37 -1.16 -0.10 -2.68 121.20 122.94 1f04 s ILE 75 Ca 0.15 0.29 0.03 0.00 -0.51 0.00 0.00 60.65 60.61 1f04 s ILE 75 Cb 0.10 -3.18 -0.08 0.00 0.61 0.00 0.00 42.46 39.90 1f04 s ILE 75 CO 0.15 0.03 -0.06 2.30 -2.81 0.00 0.00 174.94 174.55 1f04 n ILE 76 N 3.09 0.62 -3.85 2.00 -5.35 -0.79 -4.93 119.36 110.16 1f04 n ILE 76 Ca 0.11 -0.28 0.01 0.00 -0.27 0.00 0.00 62.75 62.32 1f04 n ILE 76 Cb 0.38 -0.86 0.00 0.00 -1.74 0.00 0.00 39.64 37.43 1f04 n ILE 76 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1f04 n GLY 77 N 2.83 0.59 3.80 3.28 0.00 -1.23 -4.92 105.19 109.53 1f04 n GLY 77 Ca -0.18 -0.90 -0.23 0.00 0.00 0.00 0.00 46.02 44.71 1f04 n GLY 77 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1f04 s GLU 78 N -2.00 2.36 0.18 1.61 2.02 -1.26 -0.22 118.70 121.39 1f04 s GLU 78 Ca 0.08 -1.69 -0.31 0.00 0.02 0.00 0.00 54.97 53.07 1f04 s GLU 78 Cb -0.00 -2.16 -0.09 0.00 0.10 0.00 0.00 34.13 31.98 1f04 s GLU 78 CO 0.00 -0.13 1.40 -1.17 0.02 0.00 0.00 175.26 175.38 1f04 s LEU 79 N -3.99 4.39 0.41 1.80 2.96 0.49 -1.29 118.68 123.44 1f04 s LEU 79 Ca 0.44 2.47 -0.25 0.00 -0.22 0.00 0.00 54.13 56.56 1f04 s LEU 79 Cb 0.01 -3.60 -0.11 0.00 0.50 0.00 0.00 46.19 42.99 1f04 s LEU 79 CO 0.25 -0.64 1.14 1.57 -1.32 0.00 0.00 176.35 177.34 1f04 n HIS 80 N 3.11 1.66 0.69 5.38 -0.00 -0.06 -4.74 115.22 121.27 1f04 n HIS 80 Ca 0.09 0.54 0.07 0.00 -0.00 0.00 0.00 57.72 58.42 1f04 n HIS 80 Cb 0.41 -2.30 0.37 0.00 -0.00 0.00 0.00 29.99 28.47 1f04 n HIS 80 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.34 175.99 1f04 n PRO 81 N 0.16 0.21 0.05 1.57 -0.04 -1.26 -2.02 135.00 133.67 1f04 n PRO 81 Ca 0.08 0.14 -0.08 0.00 -0.04 0.00 0.00 63.50 63.60 1f04 n PRO 81 Cb 0.39 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.22 1f04 n PRO 81 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 1f04 h ASP 82 N 0.00 0.04 0.14 3.54 3.58 -1.98 -3.36 116.42 118.39 1f04 h ASP 82 Ca 0.00 -0.05 -0.01 0.00 0.42 0.00 0.00 57.03 57.39 1f04 h ASP 82 Cb 0.13 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.17 1f04 h ASP 82 CO 0.00 1.04 -0.07 -0.78 -2.88 0.00 0.00 179.24 176.55 1f04 h ASP 83 N 0.01 -0.16 0.00 2.28 1.82 -1.77 -3.52 116.42 115.07 1f04 h ASP 83 Ca -0.07 -0.38 0.00 0.00 -0.39 0.00 0.00 57.03 56.19 1f04 h ASP 83 Cb 1.83 0.04 0.00 0.00 0.68 0.00 0.00 39.33 41.88 1f04 h ASP 83 CO 0.13 0.36 0.00 -2.11 -1.61 0.00 0.00 179.24 176.01