#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 1.55 -4.01 0.00 3.14 -1.26 -4.98 118.33 112.78 1f04 n VAL 4 Ca 0.00 -0.39 -0.32 0.00 -2.96 0.00 0.00 64.34 60.67 1f04 n VAL 4 Cb 0.00 -1.51 -0.15 0.00 -1.06 0.00 0.00 33.84 31.12 1f04 n VAL 4 CO 0.00 0.00 0.00 -0.75 -6.46 0.00 0.00 176.83 169.62 1f04 s LYS 5 N -1.24 1.72 0.82 1.45 2.20 -1.26 -5.07 119.74 118.35 1f04 s LYS 5 Ca 0.61 -1.74 -0.13 0.00 -0.36 0.00 0.00 55.97 54.35 1f04 s LYS 5 Cb -0.61 -3.17 0.07 0.00 -1.51 0.00 0.00 37.83 32.62 1f04 s LYS 5 CO 0.57 -0.86 1.06 0.66 -0.36 0.00 0.00 175.35 176.42 1f04 n TYR 6 N 4.33 0.79 -4.95 4.03 4.02 -1.26 -4.66 117.16 119.46 1f04 n TYR 6 Ca -0.01 0.39 -0.27 0.00 -0.01 0.00 0.00 57.90 58.00 1f04 n TYR 6 Cb 0.42 -2.05 -0.15 0.00 -0.02 0.00 0.00 39.34 37.53 1f04 n TYR 6 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 176.86 176.56 1f04 s TYR 7 N -2.15 1.82 0.56 -0.72 2.02 -0.76 -4.75 117.35 113.37 1f04 s TYR 7 Ca 0.71 -0.35 -0.16 0.00 -0.37 0.00 0.00 57.07 56.90 1f04 s TYR 7 Cb -0.29 -1.16 -0.05 0.00 -0.40 0.00 0.00 41.96 40.06 1f04 s TYR 7 CO 0.53 -0.01 1.02 0.95 -1.57 0.00 0.00 175.55 176.47 1f04 s THR 8 N -0.52 4.21 0.31 -0.71 -4.23 -1.26 -0.76 115.64 112.68 1f04 s THR 8 Ca 0.08 1.02 0.05 0.00 -1.18 0.00 0.00 61.69 61.65 1f04 s THR 8 Cb -0.08 -3.57 0.30 0.00 1.34 0.00 0.00 72.50 70.49 1f04 s THR 8 CO -0.00 -0.65 1.83 0.25 -0.54 0.00 0.00 174.62 175.51 1f04 h LEU 9 N 0.55 0.81 0.66 4.79 6.46 -1.98 0.38 115.31 126.98 1f04 h LEU 9 Ca -0.46 0.06 -0.03 0.00 -0.12 0.00 0.00 57.88 57.32 1f04 h LEU 9 Cb 1.20 -0.10 -0.01 0.00 -0.73 0.00 0.00 40.66 41.02 1f04 h LEU 9 CO 0.60 0.39 -0.44 -0.08 -0.62 0.00 0.00 178.44 178.29 1f04 h GLU 10 N 0.85 -1.01 -0.32 1.25 4.57 -1.98 0.33 114.58 118.27 1f04 h GLU 10 Ca 0.50 0.07 0.05 0.00 -1.18 0.00 0.00 59.36 58.80 1f04 h GLU 10 Cb 0.66 0.23 -0.05 0.00 -0.16 0.00 0.00 28.75 29.43 1f04 h GLU 10 CO -0.27 -0.67 0.03 0.93 -1.18 0.00 0.00 179.01 177.86 1f04 h GLU 11 N -1.04 0.13 -0.30 1.92 3.07 -1.77 -0.31 114.58 116.27 1f04 h GLU 11 Ca -0.08 -0.01 0.03 0.00 -0.50 0.00 0.00 59.36 58.80 1f04 h GLU 11 Cb 0.85 -0.03 -0.03 0.00 -0.84 0.00 0.00 28.75 28.70 1f04 h GLU 11 CO 0.07 0.09 0.11 0.82 -1.40 0.00 0.00 179.01 178.69 1f04 h ILE 12 N 0.14 0.92 -0.68 3.13 2.04 -0.81 -2.04 117.51 120.20 1f04 h ILE 12 Ca 0.15 -0.08 0.12 0.00 1.00 0.00 0.00 64.86 66.05 1f04 h ILE 12 Cb 0.19 0.66 -0.09 0.00 -0.74 0.00 0.00 36.82 36.84 1f04 h ILE 12 CO -0.23 0.04 0.24 1.56 0.00 0.00 0.00 178.15 179.77 1f04 h GLN 13 N 0.24 0.38 -0.51 2.37 1.08 0.27 0.17 115.11 119.12 1f04 h GLN 13 Ca 0.13 -0.02 0.15 0.00 -1.45 0.00 0.00 58.65 57.46 1f04 h GLN 13 Cb 0.10 -0.09 -0.02 0.00 -0.05 0.00 0.00 27.48 27.42 1f04 h GLN 13 CO -0.14 0.25 0.41 0.87 -0.95 0.00 0.00 178.83 179.28 1f04 h LYS 14 N 0.40 0.00 -3.31 1.46 1.57 -0.32 -3.10 116.57 113.27 1f04 h LYS 14 Ca 0.36 0.00 -0.77 0.00 -1.87 0.00 0.00 60.65 58.37 1f04 h LYS 14 Cb 0.52 0.00 -0.18 0.00 0.08 0.00 0.00 32.23 32.65 1f04 h LYS 14 CO -0.38 0.00 1.79 0.72 -0.57 0.00 0.00 179.45 181.01 1f04 n HIS 15 N -4.14 2.75 -1.86 -1.35 8.25 0.05 -4.68 115.22 114.23 1f04 n HIS 15 Ca 0.09 -2.74 -0.10 0.00 -0.26 0.00 0.00 57.72 54.72 1f04 n HIS 15 Cb 0.62 -1.79 0.10 0.00 1.12 0.00 0.00 29.99 30.05 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 3.18 3.36 -4.29 0.41 0.23 -1.09 -1.44 115.26 115.62 1f04 n ASN 16 Ca 0.38 -3.75 -0.16 0.00 -0.53 0.00 0.00 54.58 50.53 1f04 n ASN 16 Cb 0.35 -0.43 -0.10 0.00 -2.08 0.00 0.00 39.78 37.52 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 -3.42 1.81 0.34 0.53 3.84 -0.45 -4.88 114.94 112.71 1f04 s ASN 17 Ca 0.44 -1.12 0.10 0.00 0.21 0.00 0.00 52.86 52.49 1f04 s ASN 17 Cb 0.39 0.00 0.84 0.00 -0.55 0.00 0.00 41.25 41.93 1f04 s ASN 17 CO -0.01 -0.43 1.80 0.28 -2.79 0.00 0.00 177.10 175.95 1f04 h SER 18 N 2.62 0.67 -0.80 -4.21 0.02 -1.97 0.14 113.55 110.02 1f04 h SER 18 Ca -0.37 0.08 0.08 0.00 -0.84 0.00 0.00 61.79 60.73 1f04 h SER 18 Cb 1.21 -0.05 -0.05 0.00 0.14 0.00 0.00 62.40 63.65 1f04 h SER 18 CO 0.64 0.25 0.52 0.11 -1.14 0.00 0.00 176.83 177.21 1f04 h LYS 19 N 0.66 0.78 -1.25 3.45 1.57 -1.95 -3.41 116.57 116.42 1f04 h LYS 19 Ca 0.54 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 59.26 1f04 h LYS 19 Cb 0.97 -0.18 -0.24 0.00 0.08 0.00 0.00 32.23 32.87 1f04 h LYS 19 CO -0.31 0.52 -0.39 -1.12 -0.57 0.00 0.00 179.45 177.58 1f04 s SER 20 N -6.08 -0.93 -0.52 0.86 0.01 0.46 -4.96 113.70 102.53 1f04 s SER 20 Ca -0.10 0.31 -0.13 0.00 1.31 0.00 0.00 55.95 57.34 1f04 s SER 20 Cb 0.20 1.78 0.13 0.00 0.21 0.00 0.00 66.02 68.34 1f04 s SER 20 CO 0.78 -0.30 0.45 -0.89 0.41 0.00 0.00 173.24 173.69 1f04 s THR 21 N 2.75 4.83 0.59 1.44 2.01 -1.03 -1.35 115.64 124.88 1f04 s THR 21 Ca 0.14 -1.65 0.09 0.00 0.31 0.00 0.00 61.69 60.57 1f04 s THR 21 Cb -0.13 -4.12 0.08 0.00 0.01 0.00 0.00 72.50 68.34 1f04 s THR 21 CO -0.24 -0.84 0.71 0.26 -0.69 0.00 0.00 174.62 173.82 1f04 s TRP 22 N 1.45 1.28 0.00 4.92 0.52 -0.52 -2.13 118.94 124.46 1f04 s TRP 22 Ca 0.05 -0.81 0.00 0.00 0.02 0.00 0.00 56.10 55.36 1f04 s TRP 22 Cb -0.28 -2.10 0.00 0.00 -1.15 0.00 0.00 33.47 29.94 1f04 s TRP 22 CO 0.01 -1.06 0.00 1.47 0.02 0.00 0.00 176.95 177.40 1f04 n LEU 23 N -2.16 0.00 -4.08 2.99 -0.00 -1.25 -0.09 117.00 112.41 1f04 n LEU 23 Ca 0.11 0.00 -0.32 0.00 -0.00 0.00 0.00 56.01 55.80 1f04 n LEU 23 Cb 0.63 0.00 -0.16 0.00 -0.00 0.00 0.00 43.42 43.89 1f04 n LEU 23 CO 0.39 0.00 -0.50 -0.63 -0.00 0.00 0.00 177.39 176.66 1f04 s ILE 24 N -2.00 1.97 -0.42 1.47 1.01 0.08 -3.04 121.20 120.27 1f04 s ILE 24 Ca 0.00 -1.07 0.03 0.00 0.00 0.00 0.00 60.65 59.61 1f04 s ILE 24 Cb 0.00 -1.89 0.12 0.00 0.01 0.00 0.00 42.46 40.70 1f04 s ILE 24 CO 0.00 0.35 0.16 -0.76 0.00 0.00 0.00 174.94 174.69 1f04 s LEU 25 N 1.29 4.02 -0.92 2.97 1.02 -0.20 -1.61 118.68 125.26 1f04 s LEU 25 Ca 0.01 -2.50 -0.03 0.00 0.02 0.00 0.00 54.13 51.64 1f04 s LEU 25 Cb -0.15 -1.47 -0.03 0.00 0.02 0.00 0.00 46.19 44.56 1f04 s LEU 25 CO -0.10 -0.31 0.78 1.41 0.02 0.00 0.00 176.35 178.15 1f04 n HIS 26 N 3.78 -1.92 -1.39 0.29 8.25 -1.26 -3.14 115.22 119.83 1f04 n HIS 26 Ca 0.04 0.73 -0.14 0.00 -0.26 0.00 0.00 57.72 58.10 1f04 n HIS 26 Cb 0.37 -4.15 -0.06 0.00 1.12 0.00 0.00 29.99 27.27 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 -3.21 0.00 -4.77 4.41 4.02 -1.26 -4.97 117.16 111.38 1f04 n TYR 27 Ca -0.14 0.00 -0.26 0.00 -0.01 0.00 0.00 57.90 57.50 1f04 n TYR 27 Cb 0.62 -2.60 -0.16 0.00 -0.02 0.00 0.00 39.34 37.18 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 -3.08 1.74 -0.12 -0.72 1.02 -1.19 -0.69 119.74 116.71 1f04 s LYS 28 Ca 0.00 -0.56 -0.11 0.00 0.02 0.00 0.00 55.97 55.32 1f04 s LYS 28 Cb 0.00 -1.50 -0.05 0.00 -0.52 0.00 0.00 37.83 35.77 1f04 s LYS 28 CO 0.00 0.19 0.24 0.08 -0.92 0.00 0.00 175.35 174.94 1f04 s VAL 29 N 0.16 5.34 -0.25 3.17 1.01 -0.75 -1.03 120.40 128.05 1f04 s VAL 29 Ca -0.06 0.43 -0.01 0.00 0.00 0.00 0.00 61.98 62.34 1f04 s VAL 29 Cb -0.12 -3.54 0.08 0.00 0.00 0.00 0.00 36.38 32.80 1f04 s VAL 29 CO 0.03 0.52 0.03 -0.31 0.00 0.00 0.00 175.10 175.37 1f04 s TYR 30 N -0.45 1.77 -0.57 5.22 1.51 -1.17 -1.50 117.35 122.16 1f04 s TYR 30 Ca 0.16 -1.51 -0.28 0.00 -1.01 0.00 0.00 57.07 54.44 1f04 s TYR 30 Cb -0.13 -1.50 0.03 0.00 -0.11 0.00 0.00 41.96 40.25 1f04 s TYR 30 CO 0.05 -0.76 1.17 0.34 -1.11 0.00 0.00 175.55 175.23 1f04 s ASP 31 N 1.60 6.44 0.00 2.29 2.15 -1.21 -3.92 116.67 124.01 1f04 s ASP 31 Ca 0.02 0.07 0.00 0.00 0.43 0.00 0.00 52.55 53.07 1f04 s ASP 31 Cb -0.18 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 39.90 1f04 s ASP 31 CO -0.13 -1.45 0.00 0.18 -0.17 0.00 0.00 175.17 173.60 1f04 n LEU 32 N 8.33 0.00 0.00 -1.34 4.77 -0.91 -4.93 117.00 122.92 1f04 n LEU 32 Ca 0.08 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.06 1f04 n LEU 32 Cb 0.49 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 1f04 n LEU 32 CO 0.71 0.00 0.00 0.41 -1.33 0.00 0.00 177.39 177.18 1f04 n THR 33 N 0.00 0.00 0.25 -5.08 -1.04 -1.24 -3.92 114.28 103.25 1f04 n THR 33 Ca 0.00 0.00 0.14 0.00 -2.04 0.00 0.00 64.05 62.15 1f04 n THR 33 Cb 0.00 0.00 0.60 0.00 -1.82 0.00 0.00 70.33 69.11 1f04 n THR 33 CO 0.00 0.00 0.00 0.50 -0.64 0.00 0.00 175.07 174.93 1f04 h LYS 34 N 0.00 0.00 -0.32 -2.82 3.64 -1.92 -2.64 116.57 112.51 1f04 h LYS 34 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1f04 h LYS 34 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1f04 h LYS 34 CO 0.00 0.10 0.00 0.34 -2.27 0.00 0.00 179.45 177.62 1f04 n PHE 35 N -3.26 0.41 0.40 1.91 7.35 -1.25 -4.44 117.46 118.57 1f04 n PHE 35 Ca 0.00 -0.21 -0.17 0.00 -0.76 0.00 0.00 57.45 56.31 1f04 n PHE 35 Cb 0.35 0.00 -0.08 0.00 0.35 0.00 0.00 39.48 40.09 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 3.01 -1.05 -0.82 -2.13 3.38 -1.80 0.32 115.31 116.24 1f04 h LEU 36 Ca 0.00 0.05 -0.07 0.00 0.09 0.00 0.00 57.88 57.95 1f04 h LEU 36 Cb 0.67 0.30 -0.02 0.00 0.09 0.00 0.00 40.66 41.69 1f04 h LEU 36 CO 0.00 -0.66 0.06 -0.33 0.09 0.00 0.00 178.44 177.60 1f04 h GLU 37 N -1.07 0.95 -0.44 1.13 5.08 -1.83 -3.15 114.58 115.25 1f04 h GLU 37 Ca -0.10 -0.25 -0.03 0.00 -1.00 0.00 0.00 59.36 57.98 1f04 h GLU 37 Cb 0.85 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.96 1f04 h GLU 37 CO 0.12 0.90 0.17 0.93 -1.00 0.00 0.00 179.01 180.13 1f04 h GLU 38 N 0.89 0.66 -6.01 2.33 5.08 -1.75 -3.42 114.58 112.36 1f04 h GLU 38 Ca 0.18 -0.12 -0.67 0.00 -1.00 0.00 0.00 59.36 57.74 1f04 h GLU 38 Cb 0.44 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 1f04 h GLU 38 CO 0.01 0.61 1.38 1.58 -1.00 0.00 0.00 179.01 181.60 1f04 n HIS 39 N -4.61 1.66 -1.30 4.33 -0.00 0.11 -4.82 115.22 110.60 1f04 n HIS 39 Ca 0.01 0.27 -0.37 0.00 0.46 0.00 0.00 57.72 58.08 1f04 n HIS 39 Cb 0.15 -2.54 -0.02 0.00 -0.12 0.00 0.00 29.99 27.46 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 8.02 3.07 -2.26 1.57 -0.04 -1.26 -3.85 135.00 140.25 1f04 n PRO 40 Ca 0.40 -2.14 -0.02 0.00 -0.04 0.00 0.00 63.50 61.70 1f04 n PRO 40 Cb 0.23 -2.86 0.06 0.00 -0.04 0.00 0.00 33.50 30.89 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 3.80 0.46 1.06 0.55 0.00 -1.26 -5.11 105.19 104.68 1f04 n GLY 41 Ca 0.65 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.59 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 -0.73 -4.23 0.13 -0.02 0.00 -1.25 -4.59 105.19 94.50 1f04 n GLY 42 Ca -0.11 -0.58 -0.13 0.00 0.00 0.00 0.00 46.02 45.20 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 1.47 0.35 -0.07 1.61 -0.00 -1.80 -2.97 114.58 113.17 1f04 h GLU 43 Ca 0.00 -0.18 0.02 0.00 -0.00 0.00 0.00 59.36 59.20 1f04 h GLU 43 Cb 0.00 0.01 -0.02 0.00 -0.00 0.00 0.00 28.75 28.74 1f04 h GLU 43 CO 0.00 0.73 -0.05 0.00 -0.00 0.00 0.00 179.01 179.69 1f04 h ALA 44 N 0.61 0.01 -0.64 1.06 0.00 -1.91 0.16 119.26 118.55 1f04 h ALA 44 Ca 0.02 0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.97 1f04 h ALA 44 Cb 0.67 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.54 1f04 h ALA 44 CO 0.03 -0.52 0.42 -0.24 0.00 0.00 0.00 179.25 178.94 1f04 h VAL 45 N -0.06 1.15 -0.59 0.00 3.04 -1.86 0.46 116.25 118.39 1f04 h VAL 45 Ca 0.05 -0.29 0.10 0.00 -1.01 0.00 0.00 66.70 65.55 1f04 h VAL 45 Cb 0.13 0.22 -0.08 0.00 -2.01 0.00 0.00 31.29 29.55 1f04 h VAL 45 CO -0.10 0.15 0.16 0.25 -1.01 0.00 0.00 177.57 177.02 1f04 h LEU 46 N 0.85 0.08 -0.72 3.16 6.46 -1.07 -1.45 115.31 122.62 1f04 h LEU 46 Ca 0.24 0.10 -0.14 0.00 -0.12 0.00 0.00 57.88 57.96 1f04 h LEU 46 Cb -0.07 0.12 -0.02 0.00 -0.73 0.00 0.00 40.66 39.96 1f04 h LEU 46 CO -0.06 0.05 -0.61 -0.09 -0.62 0.00 0.00 178.44 177.11 1f04 h ARG 47 N 0.30 0.10 -0.13 1.25 1.12 0.48 0.12 114.38 117.62 1f04 h ARG 47 Ca 0.30 -0.07 -0.04 0.00 -1.11 0.00 0.00 59.98 59.06 1f04 h ARG 47 Cb 0.42 0.01 -0.00 0.00 -0.01 0.00 0.00 29.97 30.39 1f04 h ARG 47 CO -0.36 0.68 -0.08 0.00 -3.11 0.00 0.00 179.97 177.10 1f04 h ALA 48 N 1.30 0.18 0.00 2.80 0.00 0.36 -2.97 119.26 120.94 1f04 h ALA 48 Ca -0.01 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1f04 h ALA 48 Cb 1.10 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1f04 h ALA 48 CO 0.09 0.00 0.00 1.96 0.00 0.00 0.00 179.25 181.30 1f04 h GLN 49 N -0.08 0.00 -6.51 0.00 1.08 -1.25 -3.47 115.11 104.89 1f04 h GLN 49 Ca 0.03 0.00 -0.60 0.00 -1.45 0.00 0.00 58.65 56.63 1f04 h GLN 49 Cb 0.57 0.00 0.13 0.00 -0.05 0.00 0.00 27.48 28.13 1f04 h GLN 49 CO 0.02 0.00 -0.00 0.00 -0.95 0.00 0.00 178.83 177.90 1f04 n ALA 50 N -1.93 -0.42 -2.93 3.87 0.00 0.42 -3.01 120.51 116.52 1f04 n ALA 50 Ca 0.05 0.26 -0.12 0.00 0.00 0.00 0.00 53.44 53.62 1f04 n ALA 50 Cb 0.46 -1.98 0.06 0.00 0.00 0.00 0.00 19.45 17.99 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 1.36 -0.64 0.00 0.00 0.00 0.88 -4.63 105.19 102.15 1f04 n GLY 51 Ca 0.10 0.34 0.00 0.00 0.00 0.00 0.00 46.02 46.46 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 -1.26 -1.55 3.62 -0.02 0.00 -1.16 -4.29 105.19 100.52 1f04 n GLY 52 Ca -0.08 -1.05 -0.43 0.00 0.00 0.00 0.00 46.02 44.46 1f04 n GLY 52 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1f04 s ASP 53 N -1.83 6.71 -0.15 1.61 1.01 -1.26 -0.74 116.67 122.02 1f04 s ASP 53 Ca 0.00 0.78 0.17 0.00 0.71 0.00 0.00 52.55 54.21 1f04 s ASP 53 Cb 0.00 -2.55 0.41 0.00 1.01 0.00 0.00 42.92 41.80 1f04 s ASP 53 CO 0.00 -1.12 1.29 0.00 0.21 0.00 0.00 175.17 175.55 1f04 n ALA 54 N 7.57 2.64 0.03 5.23 0.00 -0.63 -4.75 120.51 130.60 1f04 n ALA 54 Ca 0.13 -2.39 -0.11 0.00 0.00 0.00 0.00 53.44 51.07 1f04 n ALA 54 Cb 0.48 -0.55 -0.06 0.00 0.00 0.00 0.00 19.45 19.32 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 1.01 0.95 -0.91 0.00 2.02 -1.79 0.18 112.91 114.37 1f04 h THR 55 Ca 0.00 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.22 1f04 h THR 55 Cb 1.22 0.95 -0.05 0.00 -1.74 0.00 0.00 68.15 68.53 1f04 h THR 55 CO 0.12 0.00 0.60 0.00 0.37 0.00 0.00 175.52 176.60 1f04 h ALA 56 N 1.00 1.43 -0.03 6.16 0.00 -1.90 0.87 119.26 126.80 1f04 h ALA 56 Ca 0.02 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1f04 h ALA 56 Cb 0.04 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.52 1f04 h ALA 56 CO -0.03 0.47 -0.05 -0.97 0.00 0.00 0.00 179.25 178.67 1f04 h ASN 57 N 1.13 0.09 -0.17 0.00 -0.73 -1.71 0.11 115.58 114.30 1f04 h ASN 57 Ca 0.36 -0.56 0.05 0.00 1.87 0.00 0.00 56.30 58.02 1f04 h ASN 57 Cb 0.03 -0.02 -0.05 0.00 0.27 0.00 0.00 38.32 38.55 1f04 h ASN 57 CO -0.11 0.63 -0.14 0.15 -0.37 0.00 0.00 177.43 177.59 1f04 h PHE 58 N -0.46 -0.35 -0.16 0.67 3.57 -0.48 -2.45 116.94 117.29 1f04 h PHE 58 Ca 0.00 0.02 -0.20 0.00 3.53 0.00 0.00 57.97 61.33 1f04 h PHE 58 Cb 0.62 0.18 0.00 0.00 2.79 0.00 0.00 35.95 39.54 1f04 h PHE 58 CO 0.12 -0.21 -0.69 1.05 -2.23 0.00 0.00 178.31 176.36 1f04 h GLU 59 N -0.15 0.66 -0.41 1.11 -0.00 -0.84 0.29 114.58 115.24 1f04 h GLU 59 Ca 0.11 -0.50 0.09 0.00 -0.00 0.00 0.00 59.36 59.06 1f04 h GLU 59 Cb 0.31 0.09 -0.08 0.00 -0.00 0.00 0.00 28.75 29.06 1f04 h GLU 59 CO -0.26 1.11 -0.15 0.00 -0.00 0.00 0.00 179.01 179.71 1f04 h ALA 60 N 0.76 0.19 0.02 1.06 0.00 -0.63 -1.27 119.26 119.39 1f04 h ALA 60 Ca -0.02 0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 1f04 h ALA 60 Cb 1.28 0.40 0.00 0.00 0.00 0.00 0.00 17.79 19.47 1f04 h ALA 60 CO 0.13 -0.50 -0.01 0.28 0.00 0.00 0.00 179.25 179.15 1f04 h VAL 61 N -0.06 1.24 0.00 0.00 2.07 -1.42 -3.50 116.25 114.57 1f04 h VAL 61 Ca 0.20 -0.83 0.00 0.00 0.82 0.00 0.00 66.70 66.89 1f04 h VAL 61 Cb 0.37 1.80 0.00 0.00 -1.52 0.00 0.00 31.29 31.94 1f04 h VAL 61 CO -0.46 0.21 0.00 0.61 0.02 0.00 0.00 177.57 177.95 1f04 n GLY 62 N -0.13 0.32 2.98 2.17 0.00 0.09 -5.07 105.19 105.55 1f04 n GLY 62 Ca -0.08 -1.64 -0.05 0.00 0.00 0.00 0.00 46.02 44.24 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 -2.87 -1.09 1.27 1.61 3.76 -1.26 -4.94 115.29 111.77 1f04 s HIS 63 Ca 0.00 0.95 -0.16 0.00 -0.15 0.00 0.00 55.06 55.70 1f04 s HIS 63 Cb 0.00 0.12 0.32 0.00 1.11 0.00 0.00 32.58 34.14 1f04 s HIS 63 CO 0.00 -0.83 0.97 0.43 -0.85 0.00 0.00 174.74 174.46 1f04 n SER 64 N 5.38 -2.46 -0.18 1.40 7.64 -1.26 -4.34 113.62 119.80 1f04 n SER 64 Ca -0.02 -0.37 -0.03 0.00 1.01 0.00 0.00 58.87 59.47 1f04 n SER 64 Cb 0.50 -1.19 0.04 0.00 -1.01 0.00 0.00 64.21 62.56 1f04 n SER 64 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 1f04 h THR 65 N -2.98 0.39 -0.52 0.44 2.02 -2.02 0.23 112.91 110.46 1f04 h THR 65 Ca -0.59 0.00 0.11 0.00 0.77 0.00 0.00 66.41 66.70 1f04 h THR 65 Cb 1.34 0.39 -0.09 0.00 -1.74 0.00 0.00 68.15 68.05 1f04 h THR 65 CO 0.44 0.00 -0.05 -0.78 0.37 0.00 0.00 175.52 175.50 1f04 h ASP 66 N -0.04 -0.33 -0.53 4.18 1.82 -1.99 0.30 116.42 119.83 1f04 h ASP 66 Ca 0.26 0.14 -0.05 0.00 -0.39 0.00 0.00 57.03 56.99 1f04 h ASP 66 Cb 0.44 0.27 -0.02 0.00 0.68 0.00 0.00 39.33 40.70 1f04 h ASP 66 CO -0.59 -0.12 0.12 0.00 -1.61 0.00 0.00 179.24 177.04 1f04 h ALA 67 N 1.49 0.70 -0.55 -0.78 0.00 -1.19 0.28 119.26 119.20 1f04 h ALA 67 Ca 0.26 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1f04 h ALA 67 Cb 0.41 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 1f04 h ALA 67 CO -0.48 0.40 0.32 0.00 0.00 0.00 0.00 179.25 179.48 1f04 h ARG 68 N 0.74 0.74 0.23 0.00 3.08 0.74 0.15 114.38 120.06 1f04 h ARG 68 Ca 0.16 -0.07 -0.31 0.00 0.07 0.00 0.00 59.98 59.84 1f04 h ARG 68 Cb 0.35 -0.16 0.03 0.00 0.08 0.00 0.00 29.97 30.27 1f04 h ARG 68 CO 0.00 0.53 -1.38 0.93 -1.07 0.00 0.00 179.97 178.99 1f04 h GLU 69 N 0.76 0.48 0.37 0.04 4.39 -0.18 -3.08 114.58 117.35 1f04 h GLU 69 Ca 0.20 -0.83 -0.01 0.00 0.34 0.00 0.00 59.36 59.06 1f04 h GLU 69 Cb -0.01 0.31 -0.01 0.00 -0.10 0.00 0.00 28.75 28.94 1f04 h GLU 69 CO -0.04 1.40 -0.25 1.25 -1.16 0.00 0.00 179.01 180.21 1f04 h LEU 70 N 0.04 -0.64 -0.81 1.33 5.85 -0.18 -1.45 115.31 119.45 1f04 h LEU 70 Ca -0.25 0.04 0.16 0.00 0.84 0.00 0.00 57.88 58.68 1f04 h LEU 70 Cb 2.06 0.20 -0.15 0.00 0.37 0.00 0.00 40.66 43.14 1f04 h LEU 70 CO 0.24 -0.39 -0.23 0.77 -0.34 0.00 0.00 178.44 178.49 1f04 h SER 71 N -0.60 -0.85 -0.85 1.25 4.64 -0.83 0.33 113.55 116.63 1f04 h SER 71 Ca -0.03 0.25 0.11 0.00 -0.47 0.00 0.00 61.79 61.64 1f04 h SER 71 Cb 0.51 0.53 -0.08 0.00 -0.31 0.00 0.00 62.40 63.05 1f04 h SER 71 CO 0.02 -0.28 0.48 0.11 -0.87 0.00 0.00 176.83 176.29 1f04 h LYS 72 N -0.02 0.75 -0.04 4.77 1.79 -1.26 0.26 116.57 122.82 1f04 h LYS 72 Ca 0.37 -0.04 0.01 0.00 -2.18 0.00 0.00 60.65 58.81 1f04 h LYS 72 Cb 0.59 -0.17 -0.00 0.00 -1.58 0.00 0.00 32.23 31.07 1f04 h LYS 72 CO -0.84 0.49 0.03 1.15 -1.08 0.00 0.00 179.45 179.21 1f04 h THR 73 N 0.77 0.71 -0.16 -0.16 2.02 0.62 -0.62 112.91 116.08 1f04 h THR 73 Ca 0.43 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.61 1f04 h THR 73 Cb 0.45 0.97 0.00 0.00 -1.74 0.00 0.00 68.15 67.84 1f04 h THR 73 CO -0.28 0.00 0.00 0.49 0.37 0.00 0.00 175.52 176.10 1f04 n PHE 74 N -4.12 0.19 -1.90 3.16 3.72 0.71 -4.96 117.46 114.26 1f04 n PHE 74 Ca -0.02 -0.10 -0.42 0.00 -0.05 0.00 0.00 57.45 56.86 1f04 n PHE 74 Cb 0.13 0.00 -0.03 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 -1.81 2.52 -1.14 4.37 2.07 -0.07 -3.36 121.20 123.79 1f04 s ILE 75 Ca 0.34 0.38 0.16 0.00 -1.41 0.00 0.00 60.65 60.12 1f04 s ILE 75 Cb 0.21 -3.24 -0.09 0.00 0.13 0.00 0.00 42.46 39.46 1f04 s ILE 75 CO 0.30 0.03 0.78 2.30 -1.91 0.00 0.00 174.94 176.45 1f04 n ILE 76 N 3.92 0.00 -0.16 2.00 -5.35 -0.56 -4.94 119.36 114.27 1f04 n ILE 76 Ca 0.14 -0.22 0.00 0.00 -0.27 0.00 0.00 62.75 62.40 1f04 n ILE 76 Cb 0.38 1.10 0.00 0.00 -1.74 0.00 0.00 39.64 39.38 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 1.29 0.22 3.38 3.28 0.00 -1.24 -4.66 105.19 107.46 1f04 n GLY 77 Ca 0.05 -1.27 -0.19 0.00 0.00 0.00 0.00 46.02 44.61 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 1.48 0.25 1.61 2.02 -1.26 -1.81 118.70 118.99 1f04 s GLU 78 Ca 0.00 -1.79 -0.30 0.00 0.02 0.00 0.00 54.97 52.90 1f04 s GLU 78 Cb 0.00 -0.64 -0.10 0.00 0.10 0.00 0.00 34.13 33.49 1f04 s GLU 78 CO 0.00 -0.18 1.43 -1.17 0.02 0.00 0.00 175.26 175.36 1f04 s LEU 79 N -3.38 4.39 0.41 1.80 2.96 0.13 -1.83 118.68 123.16 1f04 s LEU 79 Ca 0.34 2.67 -0.25 0.00 -0.22 0.00 0.00 54.13 56.67 1f04 s LEU 79 Cb 0.07 -3.62 -0.10 0.00 0.50 0.00 0.00 46.19 43.04 1f04 s LEU 79 CO 0.13 -0.69 1.12 1.57 -1.32 0.00 0.00 176.35 177.15 1f04 n HIS 80 N 2.22 1.58 0.75 5.38 -0.00 0.06 -4.73 115.22 120.48 1f04 n HIS 80 Ca 0.06 0.54 0.08 0.00 -0.00 0.00 0.00 57.72 58.40 1f04 n HIS 80 Cb 0.40 -2.29 0.41 0.00 -0.00 0.00 0.00 29.99 28.51 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 0.12 0.22 0.08 1.57 -0.04 -1.26 -2.22 135.00 133.47 1f04 n PRO 81 Ca 0.08 0.14 -0.05 0.00 -0.04 0.00 0.00 63.50 63.63 1f04 n PRO 81 Cb 0.39 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.29 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 0.08 3.54 3.58 -1.97 -3.35 116.42 118.30 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 0.16 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.21 1f04 h ASP 82 CO 0.00 0.89 -0.04 -0.78 -2.88 0.00 0.00 179.24 176.43 1f04 h ASP 83 N 0.00 -0.09 0.00 2.28 1.82 -1.81 -3.52 116.42 115.09 1f04 h ASP 83 Ca -0.01 -0.51 0.00 0.00 -0.39 0.00 0.00 57.03 56.13 1f04 h ASP 83 Cb 1.63 0.02 0.00 0.00 0.68 0.00 0.00 39.33 41.66 1f04 h ASP 83 CO 0.12 0.56 0.00 -2.11 -1.61 0.00 0.00 179.24 176.19