#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 1.94 -3.31 0.00 0.31 -1.26 -5.00 118.33 111.00 1f04 n VAL 4 Ca 0.00 -0.48 -0.10 0.00 -0.01 0.00 0.00 64.34 63.74 1f04 n VAL 4 Cb 0.00 -1.86 -0.06 0.00 -0.91 0.00 0.00 33.84 31.01 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 -1.94 0.45 0.90 5.55 2.20 -1.26 -5.15 119.74 120.48 1f04 s LYS 5 Ca 0.54 -0.02 -0.12 0.00 -0.36 0.00 0.00 55.97 56.01 1f04 s LYS 5 Cb -0.50 -0.36 0.07 0.00 -1.51 0.00 0.00 37.83 35.52 1f04 s LYS 5 CO 0.62 -1.06 0.78 0.66 -0.36 0.00 0.00 175.35 175.99 1f04 n TYR 6 N 5.19 -0.24 -5.25 4.03 4.01 -1.26 -4.73 117.16 118.91 1f04 n TYR 6 Ca 0.02 0.32 -0.31 0.00 -0.16 0.00 0.00 57.90 57.77 1f04 n TYR 6 Cb 0.49 -1.92 -0.16 0.00 -0.31 0.00 0.00 39.34 37.44 1f04 n TYR 6 CO 0.00 0.00 0.00 0.71 -0.46 0.00 0.00 176.86 177.11 1f04 s TYR 7 N -2.38 2.39 0.53 -0.72 2.02 -0.48 -4.74 117.35 113.97 1f04 s TYR 7 Ca 0.63 -0.68 -0.17 0.00 -0.37 0.00 0.00 57.07 56.48 1f04 s TYR 7 Cb -0.24 -1.57 -0.07 0.00 -0.40 0.00 0.00 41.96 39.68 1f04 s TYR 7 CO 0.61 -0.20 1.01 0.95 -1.57 0.00 0.00 175.55 176.35 1f04 s THR 8 N -0.20 4.28 0.27 -0.71 -4.23 -1.26 -0.73 115.64 113.06 1f04 s THR 8 Ca -0.02 1.14 0.00 0.00 -1.18 0.00 0.00 61.69 61.63 1f04 s THR 8 Cb -0.13 -3.60 0.27 0.00 1.34 0.00 0.00 72.50 70.37 1f04 s THR 8 CO 0.03 -0.58 1.69 0.25 -0.54 0.00 0.00 174.62 175.47 1f04 h LEU 9 N 0.90 0.19 0.43 4.79 6.46 -1.94 -1.68 115.31 124.46 1f04 h LEU 9 Ca -0.47 0.15 -0.01 0.00 -0.12 0.00 0.00 57.88 57.43 1f04 h LEU 9 Cb 1.20 0.17 -0.02 0.00 -0.73 0.00 0.00 40.66 41.27 1f04 h LEU 9 CO 0.60 -0.02 -0.49 -0.08 -0.62 0.00 0.00 178.44 177.84 1f04 h GLU 10 N 0.34 -0.89 -0.53 1.25 4.57 -1.93 0.42 114.58 117.82 1f04 h GLU 10 Ca 0.50 0.06 0.09 0.00 -1.18 0.00 0.00 59.36 58.83 1f04 h GLU 10 Cb 0.92 0.20 -0.07 0.00 -0.16 0.00 0.00 28.75 29.64 1f04 h GLU 10 CO -0.53 -0.60 0.14 0.93 -1.18 0.00 0.00 179.01 177.77 1f04 h GLU 11 N -0.93 0.28 -0.73 1.92 3.07 -1.80 0.89 114.58 117.28 1f04 h GLU 11 Ca -0.05 -0.02 0.01 0.00 -0.50 0.00 0.00 59.36 58.80 1f04 h GLU 11 Cb 0.82 -0.06 -0.04 0.00 -0.84 0.00 0.00 28.75 28.63 1f04 h GLU 11 CO -0.09 0.18 0.49 0.82 -1.40 0.00 0.00 179.01 179.01 1f04 h ILE 12 N 0.29 1.19 -0.56 3.13 2.04 -1.03 -2.68 117.51 119.89 1f04 h ILE 12 Ca 0.26 -0.34 0.05 0.00 1.00 0.00 0.00 64.86 65.84 1f04 h ILE 12 Cb 0.34 0.11 -0.05 0.00 -0.74 0.00 0.00 36.82 36.48 1f04 h ILE 12 CO -0.32 0.18 0.29 1.56 0.00 0.00 0.00 178.15 179.86 1f04 h GLN 13 N 0.99 0.53 -0.46 2.37 1.08 0.23 0.38 115.11 120.23 1f04 h GLN 13 Ca 0.27 -0.03 0.13 0.00 -1.45 0.00 0.00 58.65 57.57 1f04 h GLN 13 Cb -0.12 -0.12 -0.02 0.00 -0.05 0.00 0.00 27.48 27.18 1f04 h GLN 13 CO -0.06 0.35 0.48 0.87 -0.95 0.00 0.00 178.83 179.53 1f04 h LYS 14 N 0.55 0.00 -3.46 1.46 1.57 -0.55 -3.13 116.57 113.01 1f04 h LYS 14 Ca 0.25 0.00 -0.78 0.00 -1.87 0.00 0.00 60.65 58.25 1f04 h LYS 14 Cb 0.16 0.00 -0.23 0.00 0.08 0.00 0.00 32.23 32.25 1f04 h LYS 14 CO -0.17 0.00 1.19 0.72 -0.57 0.00 0.00 179.45 180.61 1f04 n HIS 15 N -3.74 3.35 -3.19 -1.35 8.25 0.12 -4.76 115.22 113.90 1f04 n HIS 15 Ca 0.09 -2.98 -0.21 0.00 -0.26 0.00 0.00 57.72 54.35 1f04 n HIS 15 Cb 0.67 -1.67 -0.05 0.00 1.12 0.00 0.00 29.99 30.06 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 2.91 0.50 -1.38 0.41 0.23 -1.11 -1.70 115.26 115.13 1f04 n ASN 16 Ca 0.31 -2.84 0.00 0.00 -0.53 0.00 0.00 54.58 51.52 1f04 n ASN 16 Cb 0.36 -0.63 0.00 0.00 -2.08 0.00 0.00 39.78 37.43 1f04 n ASN 16 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 1f04 n ASN 17 N 0.89 -1.83 0.07 0.53 5.15 -1.22 -4.98 115.26 113.87 1f04 n ASN 17 Ca 0.23 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.21 1f04 n ASN 17 Cb 0.59 -0.92 0.00 0.00 -0.53 0.00 0.00 39.78 38.92 1f04 n ASN 17 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 1f04 n SER 18 N -0.87 -1.30 -0.05 1.20 7.64 -1.26 -5.01 113.62 113.98 1f04 n SER 18 Ca 0.00 0.54 -0.11 0.00 1.01 0.00 0.00 58.87 60.31 1f04 n SER 18 Cb 0.41 1.49 -0.04 0.00 -1.01 0.00 0.00 64.21 65.06 1f04 n SER 18 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1f04 n LYS 19 N -2.99 0.23 -3.92 1.43 5.02 -1.26 -5.09 118.16 111.57 1f04 n LYS 19 Ca 0.00 0.10 -0.08 0.00 -2.02 0.00 0.00 58.31 56.30 1f04 n LYS 19 Cb 0.00 -0.88 -0.04 0.00 -0.02 0.00 0.00 35.03 34.09 1f04 n LYS 19 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1f04 s SER 20 N -5.97 -0.16 -0.61 4.39 0.15 -1.26 -5.08 113.70 105.16 1f04 s SER 20 Ca -0.15 -0.78 -0.16 0.00 0.70 0.00 0.00 55.95 55.57 1f04 s SER 20 Cb 0.05 0.63 0.15 0.00 -1.71 0.00 0.00 66.02 65.14 1f04 s SER 20 CO 0.19 -1.19 0.57 -0.89 1.20 0.00 0.00 173.24 173.11 1f04 s THR 21 N -3.97 5.29 0.47 6.45 2.01 -1.26 -2.76 115.64 121.87 1f04 s THR 21 Ca 0.17 -1.71 0.08 0.00 0.31 0.00 0.00 61.69 60.55 1f04 s THR 21 Cb -0.02 -4.37 0.02 0.00 0.01 0.00 0.00 72.50 68.14 1f04 s THR 21 CO 0.07 -0.91 0.56 0.26 -0.69 0.00 0.00 174.62 173.90 1f04 s TRP 22 N 1.31 2.33 -0.05 4.92 0.52 -0.69 -3.04 118.94 124.24 1f04 s TRP 22 Ca 0.07 -0.55 -0.31 0.00 0.02 0.00 0.00 56.10 55.33 1f04 s TRP 22 Cb -0.25 -2.24 0.13 0.00 -1.15 0.00 0.00 33.47 29.96 1f04 s TRP 22 CO 0.00 -0.52 1.35 -0.48 0.02 0.00 0.00 176.95 177.32 1f04 s LEU 23 N -4.36 -0.04 -0.19 2.99 0.05 -1.25 -0.21 118.68 115.67 1f04 s LEU 23 Ca 0.53 -0.09 0.01 0.00 0.05 0.00 0.00 54.13 54.63 1f04 s LEU 23 Cb -0.06 1.24 0.04 0.00 -2.05 0.00 0.00 46.19 45.36 1f04 s LEU 23 CO 0.32 -0.19 -0.14 -0.63 -0.55 0.00 0.00 176.35 175.16 1f04 s ILE 24 N -2.27 1.82 -0.63 1.48 1.01 -1.26 -3.05 121.20 118.30 1f04 s ILE 24 Ca 0.15 -1.02 0.04 0.00 0.00 0.00 0.00 60.65 59.81 1f04 s ILE 24 Cb 0.06 -1.80 0.15 0.00 0.01 0.00 0.00 42.46 40.88 1f04 s ILE 24 CO -0.05 0.28 0.41 -0.76 0.00 0.00 0.00 174.94 174.82 1f04 s LEU 25 N 1.34 4.65 -0.49 2.97 1.02 0.08 -2.45 118.68 125.80 1f04 s LEU 25 Ca 0.00 -3.49 -0.02 0.00 0.02 0.00 0.00 54.13 50.64 1f04 s LEU 25 Cb -0.15 -1.65 -0.02 0.00 0.02 0.00 0.00 46.19 44.38 1f04 s LEU 25 CO -0.09 -0.15 0.44 1.41 0.02 0.00 0.00 176.35 177.97 1f04 n HIS 26 N 2.48 -1.38 -1.87 0.29 8.25 -1.26 -3.63 115.22 118.10 1f04 n HIS 26 Ca 0.13 0.50 -0.19 0.00 -0.26 0.00 0.00 57.72 57.90 1f04 n HIS 26 Cb 0.34 -3.17 -0.06 0.00 1.12 0.00 0.00 29.99 28.22 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 -2.03 -0.43 -4.18 4.41 4.02 -1.26 -4.94 117.16 112.74 1f04 n TYR 27 Ca -0.02 0.00 -0.23 0.00 -0.01 0.00 0.00 57.90 57.64 1f04 n TYR 27 Cb 0.54 -3.48 -0.17 0.00 -0.02 0.00 0.00 39.34 36.22 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 -4.15 1.13 -0.12 -0.72 -0.14 -1.24 -0.25 119.74 114.26 1f04 s LYS 28 Ca 0.00 -0.18 -0.11 0.00 -1.36 0.00 0.00 55.97 54.32 1f04 s LYS 28 Cb 0.00 -1.12 -0.05 0.00 -1.68 0.00 0.00 37.83 34.98 1f04 s LYS 28 CO 0.00 -0.11 0.24 0.08 -0.76 0.00 0.00 175.35 174.79 1f04 s VAL 29 N 1.12 5.34 -0.23 3.17 1.01 0.73 -0.74 120.40 130.80 1f04 s VAL 29 Ca -0.07 0.43 0.00 0.00 0.00 0.00 0.00 61.98 62.34 1f04 s VAL 29 Cb -0.14 -3.54 0.06 0.00 0.00 0.00 0.00 36.38 32.76 1f04 s VAL 29 CO -0.01 0.51 -0.04 -0.31 0.00 0.00 0.00 175.10 175.26 1f04 s TYR 30 N -0.37 2.13 -0.63 5.22 1.51 -1.17 -1.15 117.35 122.89 1f04 s TYR 30 Ca 0.16 -1.58 -0.24 0.00 -1.01 0.00 0.00 57.07 54.39 1f04 s TYR 30 Cb -0.13 -1.47 0.05 0.00 -0.11 0.00 0.00 41.96 40.30 1f04 s TYR 30 CO 0.05 -0.74 1.03 0.34 -1.11 0.00 0.00 175.55 175.12 1f04 s ASP 31 N 1.48 6.25 0.00 2.29 2.15 -0.88 -3.91 116.67 124.06 1f04 s ASP 31 Ca -0.05 -0.57 0.00 0.00 0.43 0.00 0.00 52.55 52.36 1f04 s ASP 31 Cb -0.18 -2.46 0.00 0.00 -0.30 0.00 0.00 42.92 39.97 1f04 s ASP 31 CO -0.06 -1.44 0.00 0.18 -0.17 0.00 0.00 175.17 173.68 1f04 n LEU 32 N 7.97 0.00 0.00 -1.34 4.77 -1.17 -4.85 117.00 122.38 1f04 n LEU 32 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1f04 n LEU 32 Cb 0.47 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.56 1f04 n LEU 32 CO 0.66 0.00 0.00 0.41 -1.33 0.00 0.00 177.39 177.13 1f04 n THR 33 N 0.00 0.00 0.67 -5.08 -1.04 -1.25 -3.97 114.28 103.60 1f04 n THR 33 Ca 0.00 0.00 0.08 0.00 -2.04 0.00 0.00 64.05 62.09 1f04 n THR 33 Cb 0.00 0.00 0.38 0.00 -1.82 0.00 0.00 70.33 68.89 1f04 n THR 33 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1f04 n LYS 34 N 0.00 0.10 -0.17 -2.82 5.02 -1.26 -1.62 118.16 117.41 1f04 n LYS 34 Ca 0.00 0.18 0.12 0.00 -2.02 0.00 0.00 58.31 56.59 1f04 n LYS 34 Cb 0.00 -1.50 0.20 0.00 -0.02 0.00 0.00 35.03 33.71 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 -1.42 0.45 0.49 2.13 7.35 -1.25 -4.59 117.46 120.62 1f04 n PHE 35 Ca 0.06 -0.23 -0.20 0.00 -0.76 0.00 0.00 57.45 56.32 1f04 n PHE 35 Cb 0.17 -0.00 -0.10 0.00 0.35 0.00 0.00 39.48 39.90 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 4.45 -1.10 -0.67 -2.13 3.38 -1.64 0.38 115.31 117.97 1f04 h LEU 36 Ca 0.00 0.04 -0.11 0.00 0.09 0.00 0.00 57.88 57.90 1f04 h LEU 36 Cb 0.98 0.29 -0.02 0.00 0.09 0.00 0.00 40.66 42.01 1f04 h LEU 36 CO 0.00 -0.76 -0.17 -0.33 0.09 0.00 0.00 178.44 177.27 1f04 h GLU 37 N -1.25 0.86 -0.57 1.13 5.08 -1.84 -3.20 114.58 114.80 1f04 h GLU 37 Ca -0.12 -0.33 -0.08 0.00 -1.00 0.00 0.00 59.36 57.83 1f04 h GLU 37 Cb 0.97 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.15 1f04 h GLU 37 CO 0.19 0.97 0.04 0.93 -1.00 0.00 0.00 179.01 180.14 1f04 h GLU 38 N 0.76 0.97 -6.22 2.33 4.39 -1.78 -3.44 114.58 111.59 1f04 h GLU 38 Ca 0.11 -0.29 -0.62 0.00 0.34 0.00 0.00 59.36 58.90 1f04 h GLU 38 Cb 0.69 -0.10 0.01 0.00 -0.10 0.00 0.00 28.75 29.26 1f04 h GLU 38 CO 0.05 0.95 1.16 1.58 -1.16 0.00 0.00 179.01 181.59 1f04 n HIS 39 N -4.28 2.24 -1.69 4.33 -0.00 0.13 -4.83 115.22 111.11 1f04 n HIS 39 Ca 0.02 0.01 -0.41 0.00 0.46 0.00 0.00 57.72 57.81 1f04 n HIS 39 Cb 0.31 -2.66 -0.03 0.00 -0.12 0.00 0.00 29.99 27.49 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 6.96 2.21 0.00 1.57 -0.04 -1.26 -3.15 135.00 141.29 1f04 n PRO 40 Ca 0.25 -2.40 0.00 0.00 -0.04 0.00 0.00 63.50 61.31 1f04 n PRO 40 Cb 0.30 -3.25 0.00 0.00 -0.04 0.00 0.00 33.50 30.51 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 4.71 0.18 0.00 0.55 0.00 -1.26 -5.15 105.19 104.22 1f04 n GLY 41 Ca 0.50 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.41 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 -0.40 2.03 3.55 -0.02 0.00 -1.19 -4.96 105.19 104.19 1f04 n GLY 42 Ca 0.00 -1.02 -0.18 0.00 0.00 0.00 0.00 46.02 44.82 1f04 n GLY 42 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1f04 n GLU 43 N 1.33 0.59 0.01 1.61 0.28 -1.24 -3.48 120.64 119.74 1f04 n GLU 43 Ca 0.00 -0.63 0.00 0.00 -0.16 0.00 0.00 57.16 56.37 1f04 n GLU 43 Cb 0.00 -3.41 0.00 0.00 1.43 0.00 0.00 31.44 29.46 1f04 n GLU 43 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1f04 n ALA 44 N 17.13 0.00 -0.18 -1.84 0.00 -1.26 -4.88 120.51 129.49 1f04 n ALA 44 Ca 0.47 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.83 1f04 n ALA 44 Cb 0.42 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.88 1f04 n ALA 44 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 1f04 h VAL 45 N 0.00 1.23 0.00 0.00 3.04 -1.93 0.28 116.25 118.86 1f04 h VAL 45 Ca 0.00 -0.77 -0.02 0.00 -1.01 0.00 0.00 66.70 64.91 1f04 h VAL 45 Cb 0.00 0.78 -0.00 0.00 -2.01 0.00 0.00 31.29 30.06 1f04 h VAL 45 CO 0.00 0.28 -0.09 0.25 -1.01 0.00 0.00 177.57 177.01 1f04 h LEU 46 N 0.68 0.00 0.07 3.16 5.85 -1.92 -1.42 115.31 121.74 1f04 h LEU 46 Ca 0.16 0.00 -0.28 0.00 0.84 0.00 0.00 57.88 58.60 1f04 h LEU 46 Cb 0.27 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.32 1f04 h LEU 46 CO -0.01 0.09 -1.21 0.03 -0.34 0.00 0.00 178.44 177.00 1f04 h ARG 47 N 0.00 0.41 0.21 1.25 2.47 -1.49 -3.00 114.38 114.23 1f04 h ARG 47 Ca -0.00 -0.60 -0.32 0.00 -1.26 0.00 0.00 59.98 57.80 1f04 h ARG 47 Cb 0.18 0.21 0.02 0.00 -1.65 0.00 0.00 29.97 28.73 1f04 h ARG 47 CO 0.01 1.26 -1.43 0.00 0.56 0.00 0.00 179.97 180.37 1f04 h ALA 48 N 0.50 -0.04 0.00 0.04 0.00 -0.20 -3.11 119.26 116.45 1f04 h ALA 48 Ca -0.15 -0.90 0.00 0.00 0.00 0.00 0.00 54.91 53.86 1f04 h ALA 48 Cb 1.90 0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.84 1f04 h ALA 48 CO 0.21 0.83 0.00 1.04 0.00 0.00 0.00 179.25 181.33 1f04 n GLN 49 N -3.64 0.17 -1.40 0.00 1.13 -0.56 -4.83 117.38 108.25 1f04 n GLN 49 Ca -0.15 0.07 -0.36 0.00 -1.94 0.00 0.00 57.00 54.62 1f04 n GLN 49 Cb 1.08 -1.50 0.09 0.00 0.11 0.00 0.00 30.24 30.01 1f04 n GLN 49 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1f04 n ALA 50 N -1.40 0.01 0.00 -1.58 0.00 -1.13 -3.95 120.51 112.46 1f04 n ALA 50 Ca 0.09 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1f04 n ALA 50 Cb 0.24 -2.16 0.00 0.00 0.00 0.00 0.00 19.45 17.53 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 1.02 0.75 0.00 0.00 0.00 0.71 -4.78 105.19 102.89 1f04 n GLY 51 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 0.00 0.60 2.72 -0.02 0.00 -1.26 -0.61 105.19 106.62 1f04 n GLY 52 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 1f04 n GLY 52 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1f04 n ASP 53 N 0.00 -2.20 -0.14 1.61 2.03 -1.25 -4.47 116.55 112.12 1f04 n ASP 53 Ca 0.00 -3.13 0.04 0.00 0.52 0.00 0.00 54.79 52.23 1f04 n ASP 53 Cb 0.00 1.67 0.06 0.00 -0.72 0.00 0.00 41.12 42.13 1f04 n ASP 53 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1f04 n ALA 54 N 0.80 1.98 0.21 -1.67 0.00 -1.14 -4.84 120.51 115.86 1f04 n ALA 54 Ca 0.04 -1.61 -0.14 0.00 0.00 0.00 0.00 53.44 51.73 1f04 n ALA 54 Cb 0.69 -0.27 -0.08 0.00 0.00 0.00 0.00 19.45 19.79 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 1.97 0.58 -0.83 0.00 2.02 -1.86 0.19 112.91 114.98 1f04 h THR 55 Ca 0.00 -0.39 0.02 0.00 0.77 0.00 0.00 66.41 66.82 1f04 h THR 55 Cb 0.98 0.76 -0.05 0.00 -1.74 0.00 0.00 68.15 68.10 1f04 h THR 55 CO 0.00 0.07 0.54 0.00 0.37 0.00 0.00 175.52 176.50 1f04 h ALA 56 N -0.29 1.07 0.48 6.16 0.00 -1.90 -0.76 119.26 124.04 1f04 h ALA 56 Ca -0.06 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 1f04 h ALA 56 Cb 0.53 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1f04 h ALA 56 CO 0.09 0.40 -0.23 -0.91 0.00 0.00 0.00 179.25 178.60 1f04 h ASN 57 N 1.07 -0.55 -0.57 0.00 2.35 -1.86 0.25 115.58 116.27 1f04 h ASN 57 Ca 0.32 -0.04 0.11 0.00 -0.55 0.00 0.00 56.30 56.15 1f04 h ASN 57 Cb -0.05 0.14 -0.11 0.00 0.05 0.00 0.00 38.32 38.35 1f04 h ASN 57 CO -0.09 -0.30 -0.17 0.15 -1.65 0.00 0.00 177.43 175.37 1f04 h PHE 58 N -0.78 -0.37 -0.21 1.19 3.04 -0.31 0.48 116.94 119.98 1f04 h PHE 58 Ca -0.07 0.05 -0.09 0.00 3.98 0.00 0.00 57.97 61.85 1f04 h PHE 58 Cb 0.56 0.25 -0.00 0.00 2.56 0.00 0.00 35.95 39.32 1f04 h PHE 58 CO -0.02 -0.27 -0.22 0.93 -2.02 0.00 0.00 178.31 176.72 1f04 h GLU 59 N -0.03 0.51 -0.44 1.11 4.39 -1.10 0.85 114.58 119.87 1f04 h GLU 59 Ca 0.27 -0.27 0.04 0.00 0.34 0.00 0.00 59.36 59.74 1f04 h GLU 59 Cb 0.44 0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 29.06 1f04 h GLU 59 CO -0.60 0.86 0.20 0.00 -1.16 0.00 0.00 179.01 178.30 1f04 h ALA 60 N 0.65 0.55 0.17 3.43 0.00 0.13 -1.15 119.26 123.04 1f04 h ALA 60 Ca 0.03 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1f04 h ALA 60 Cb 0.77 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1f04 h ALA 60 CO 0.05 -0.17 -0.08 0.28 0.00 0.00 0.00 179.25 179.33 1f04 h VAL 61 N 0.40 0.88 0.00 0.00 2.07 -0.96 -3.50 116.25 115.15 1f04 h VAL 61 Ca 0.20 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.51 1f04 h VAL 61 Cb 0.14 1.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.91 1f04 h VAL 61 CO -0.16 0.05 0.00 0.61 0.02 0.00 0.00 177.57 178.09 1f04 n GLY 62 N -0.92 -1.68 3.50 2.17 0.00 0.29 -5.10 105.19 103.46 1f04 n GLY 62 Ca -0.09 -1.54 -0.11 0.00 0.00 0.00 0.00 46.02 44.28 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 -2.77 -0.46 0.60 1.61 3.76 -1.26 -4.94 115.29 111.83 1f04 s HIS 63 Ca 0.00 0.22 0.03 0.00 -0.15 0.00 0.00 55.06 55.15 1f04 s HIS 63 Cb 0.00 0.58 0.07 0.00 1.11 0.00 0.00 32.58 34.35 1f04 s HIS 63 CO 0.00 -0.89 0.84 -1.12 -0.85 0.00 0.00 174.74 172.72 1f04 s SER 64 N -2.76 4.94 0.19 1.40 0.01 -1.26 -4.91 113.70 111.31 1f04 s SER 64 Ca 0.03 -0.33 -0.16 0.00 1.31 0.00 0.00 55.95 56.80 1f04 s SER 64 Cb -0.02 -0.33 0.16 0.00 0.21 0.00 0.00 66.02 66.03 1f04 s SER 64 CO -0.09 -1.40 1.64 0.71 0.41 0.00 0.00 173.24 174.51 1f04 h THR 65 N -0.07 0.44 -0.66 1.44 1.35 -2.03 0.73 112.91 114.10 1f04 h THR 65 Ca -0.38 0.00 0.13 0.00 -0.55 0.00 0.00 66.41 65.62 1f04 h THR 65 Cb 1.28 0.44 -0.12 0.00 -1.73 0.00 0.00 68.15 68.02 1f04 h THR 65 CO 0.45 0.00 -0.15 -0.78 -0.25 0.00 0.00 175.52 174.79 1f04 h ASP 66 N -0.04 -0.58 -0.30 5.36 1.82 -1.98 0.20 116.42 120.91 1f04 h ASP 66 Ca 0.24 0.20 -0.01 0.00 -0.39 0.00 0.00 57.03 57.07 1f04 h ASP 66 Cb 0.41 0.40 -0.01 0.00 0.68 0.00 0.00 39.33 40.80 1f04 h ASP 66 CO -0.54 -0.21 0.15 0.00 -1.61 0.00 0.00 179.24 177.03 1f04 h ALA 67 N 1.66 0.38 -0.75 -0.78 0.00 -1.56 0.43 119.26 118.64 1f04 h ALA 67 Ca 0.32 -0.09 0.11 0.00 0.00 0.00 0.00 54.91 55.25 1f04 h ALA 67 Cb 0.50 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.12 1f04 h ALA 67 CO -0.67 -0.06 0.50 -0.09 0.00 0.00 0.00 179.25 178.92 1f04 h ARG 68 N 0.35 0.59 0.07 0.00 9.65 0.14 0.13 114.38 125.31 1f04 h ARG 68 Ca 0.10 -0.04 -0.31 0.00 -1.10 0.00 0.00 59.98 58.63 1f04 h ARG 68 Cb 0.11 -0.13 -0.03 0.00 -1.39 0.00 0.00 29.97 28.53 1f04 h ARG 68 CO -0.01 0.39 -1.71 0.93 2.80 0.00 0.00 179.97 182.37 1f04 h GLU 69 N 0.60 0.15 0.24 0.20 4.39 -0.37 -3.28 114.58 116.51 1f04 h GLU 69 Ca 0.35 -0.26 -0.01 0.00 0.34 0.00 0.00 59.36 59.78 1f04 h GLU 69 Cb 0.56 0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.31 1f04 h GLU 69 CO -0.13 0.91 -0.11 1.25 -1.16 0.00 0.00 179.01 179.77 1f04 h LEU 70 N 0.04 -0.27 -0.91 1.33 5.85 0.33 -2.90 115.31 118.77 1f04 h LEU 70 Ca -0.30 -0.21 0.25 0.00 0.84 0.00 0.00 57.88 58.46 1f04 h LEU 70 Cb 2.01 0.07 -0.16 0.00 0.37 0.00 0.00 40.66 42.95 1f04 h LEU 70 CO 0.11 0.08 0.09 0.77 -0.34 0.00 0.00 178.44 179.15 1f04 h SER 71 N -0.65 -0.31 -0.91 1.25 4.64 -0.93 0.42 113.55 117.05 1f04 h SER 71 Ca -0.03 0.24 0.20 0.00 -0.47 0.00 0.00 61.79 61.73 1f04 h SER 71 Cb 0.46 0.40 -0.11 0.00 -0.31 0.00 0.00 62.40 62.83 1f04 h SER 71 CO 0.05 -0.27 0.46 0.11 -0.87 0.00 0.00 176.83 176.31 1f04 h LYS 72 N 0.08 0.52 0.00 4.77 1.79 -1.57 0.38 116.57 122.53 1f04 h LYS 72 Ca 0.56 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 59.00 1f04 h LYS 72 Cb 1.13 -0.12 0.00 0.00 -1.58 0.00 0.00 32.23 31.66 1f04 h LYS 72 CO -0.80 0.34 0.00 2.41 -1.08 0.00 0.00 179.45 180.33 1f04 n THR 73 N -4.94 0.94 0.56 -0.16 -1.04 0.14 -2.14 114.28 107.65 1f04 n THR 73 Ca 0.21 0.30 0.06 0.00 -2.04 0.00 0.00 64.05 62.58 1f04 n THR 73 Cb 0.59 -1.20 -0.02 0.00 -1.82 0.00 0.00 70.33 67.89 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 -2.04 0.00 -2.03 -1.42 3.72 0.10 -5.00 117.46 110.80 1f04 n PHE 74 Ca 0.02 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.00 1f04 n PHE 74 Cb 0.19 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.70 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 -1.70 2.90 -0.16 4.37 -1.16 0.46 -2.06 121.20 123.85 1f04 s ILE 75 Ca 0.09 0.64 0.11 0.00 -0.51 0.00 0.00 60.65 60.98 1f04 s ILE 75 Cb 0.10 -3.41 -0.17 0.00 0.61 0.00 0.00 42.46 39.59 1f04 s ILE 75 CO 0.35 0.05 -0.00 2.30 -2.81 0.00 0.00 174.94 174.83 1f04 n ILE 76 N 3.98 1.06 -3.24 2.00 -5.35 -0.30 -4.90 119.36 112.60 1f04 n ILE 76 Ca 0.13 -0.59 0.00 0.00 -0.27 0.00 0.00 62.75 62.02 1f04 n ILE 76 Cb 0.40 -0.74 0.00 0.00 -1.74 0.00 0.00 39.64 37.56 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 2.19 -0.86 3.73 3.28 0.00 -1.21 -4.87 105.19 107.45 1f04 n GLY 77 Ca -0.27 -0.80 -0.26 0.00 0.00 0.00 0.00 46.02 44.69 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 -0.48 2.18 0.19 1.61 8.01 -1.26 -0.19 118.70 128.76 1f04 s GLU 78 Ca 0.00 -1.94 -0.30 0.00 0.01 0.00 0.00 54.97 52.74 1f04 s GLU 78 Cb 0.00 -1.90 -0.08 0.00 -4.31 0.00 0.00 34.13 27.83 1f04 s GLU 78 CO 0.00 -0.15 1.24 -1.17 0.01 0.00 0.00 175.26 175.19 1f04 s LEU 79 N -3.90 4.44 0.34 1.80 2.96 0.66 -1.38 118.68 123.59 1f04 s LEU 79 Ca 0.37 2.31 -0.28 0.00 -0.22 0.00 0.00 54.13 56.31 1f04 s LEU 79 Cb 0.04 -3.61 -0.12 0.00 0.50 0.00 0.00 46.19 43.00 1f04 s LEU 79 CO 0.20 -0.44 1.22 1.57 -1.32 0.00 0.00 176.35 177.58 1f04 n HIS 80 N 2.52 2.01 0.70 5.38 -0.00 0.09 -4.74 115.22 121.19 1f04 n HIS 80 Ca 0.05 0.58 0.07 0.00 -0.00 0.00 0.00 57.72 58.42 1f04 n HIS 80 Cb 0.44 -2.37 0.37 0.00 -0.00 0.00 0.00 29.99 28.43 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 0.54 0.23 0.11 1.57 -0.04 -1.26 -1.78 135.00 134.36 1f04 n PRO 81 Ca 0.06 0.14 0.05 0.00 -0.04 0.00 0.00 63.50 63.70 1f04 n PRO 81 Cb 0.36 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.32 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 0.00 0.07 3.54 3.58 -1.98 -3.36 116.42 118.28 1f04 h ASP 82 Ca 0.00 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.45 1f04 h ASP 82 Cb 0.12 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.17 1f04 h ASP 82 CO 0.00 0.36 -0.04 -0.78 -2.88 0.00 0.00 179.24 175.91 1f04 h ASP 83 N 0.00 -0.08 0.00 2.28 1.82 -1.71 -3.51 116.42 115.21 1f04 h ASP 83 Ca -0.05 -0.51 0.00 0.00 -0.39 0.00 0.00 57.03 56.08 1f04 h ASP 83 Cb 1.32 0.02 0.00 0.00 0.68 0.00 0.00 39.33 41.35 1f04 h ASP 83 CO 0.04 0.59 0.00 -2.11 -1.61 0.00 0.00 179.24 176.15