#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 2.22 -3.88 0.00 0.24 -1.26 -4.99 118.33 110.66 1f04 n VAL 4 Ca 0.00 -0.50 -0.31 0.00 -2.04 0.00 0.00 64.34 61.49 1f04 n VAL 4 Cb 0.00 -1.04 -0.13 0.00 -1.47 0.00 0.00 33.84 31.21 1f04 n VAL 4 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 1f04 s LYS 5 N -1.82 2.21 0.88 7.34 2.20 -1.26 -5.10 119.74 124.19 1f04 s LYS 5 Ca 0.62 -2.71 -0.12 0.00 -0.36 0.00 0.00 55.97 53.39 1f04 s LYS 5 Cb -0.61 -3.45 0.07 0.00 -1.51 0.00 0.00 37.83 32.34 1f04 s LYS 5 CO 0.58 -1.15 0.82 0.66 -0.36 0.00 0.00 175.35 175.91 1f04 n TYR 6 N 3.04 -0.06 -5.24 4.03 4.01 -1.26 -4.77 117.16 116.91 1f04 n TYR 6 Ca 0.08 0.34 -0.32 0.00 -0.16 0.00 0.00 57.90 57.84 1f04 n TYR 6 Cb 0.34 -1.94 -0.17 0.00 -0.31 0.00 0.00 39.34 37.26 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 -2.34 2.48 0.56 -0.72 2.02 -0.51 -4.68 117.35 114.16 1f04 s TYR 7 Ca 0.65 -0.87 -0.16 0.00 -0.37 0.00 0.00 57.07 56.32 1f04 s TYR 7 Cb -0.25 -1.64 -0.06 0.00 -0.40 0.00 0.00 41.96 39.61 1f04 s TYR 7 CO 0.60 -0.31 1.02 0.95 -1.57 0.00 0.00 175.55 176.23 1f04 s THR 8 N 0.08 4.27 0.30 -0.71 -4.23 -1.26 -0.56 115.64 113.53 1f04 s THR 8 Ca -0.11 1.04 0.06 0.00 -1.18 0.00 0.00 61.69 61.50 1f04 s THR 8 Cb -0.16 -3.60 0.30 0.00 1.34 0.00 0.00 72.50 70.38 1f04 s THR 8 CO 0.06 -0.67 1.70 0.25 -0.54 0.00 0.00 174.62 175.43 1f04 h LEU 9 N 0.57 0.45 0.16 4.79 6.46 -1.95 -0.76 115.31 125.04 1f04 h LEU 9 Ca -0.46 0.15 -0.00 0.00 -0.12 0.00 0.00 57.88 57.45 1f04 h LEU 9 Cb 1.20 0.10 -0.02 0.00 -0.73 0.00 0.00 40.66 41.21 1f04 h LEU 9 CO 0.60 0.02 -0.25 -0.08 -0.62 0.00 0.00 178.44 178.11 1f04 h GLU 10 N 0.45 -0.42 -0.51 1.25 4.57 -1.93 0.47 114.58 118.47 1f04 h GLU 10 Ca 0.60 0.03 0.10 0.00 -1.18 0.00 0.00 59.36 58.91 1f04 h GLU 10 Cb 1.16 0.10 -0.08 0.00 -0.16 0.00 0.00 28.75 29.76 1f04 h GLU 10 CO -0.52 -0.28 -0.01 0.93 -1.18 0.00 0.00 179.01 177.96 1f04 h GLU 11 N -0.43 0.11 -0.93 1.92 3.07 -1.75 0.29 114.58 116.85 1f04 h GLU 11 Ca -0.02 -0.01 0.09 0.00 -0.50 0.00 0.00 59.36 58.93 1f04 h GLU 11 Cb 0.40 -0.02 -0.07 0.00 -0.84 0.00 0.00 28.75 28.21 1f04 h GLU 11 CO -0.08 0.07 0.58 0.82 -1.40 0.00 0.00 179.01 179.00 1f04 h ILE 12 N 0.11 0.98 0.00 3.13 1.08 -0.90 -0.31 117.51 121.60 1f04 h ILE 12 Ca 0.26 -0.34 -0.05 0.00 -0.39 0.00 0.00 64.86 64.34 1f04 h ILE 12 Cb 0.39 -0.09 -0.01 0.00 -3.07 0.00 0.00 36.82 34.04 1f04 h ILE 12 CO -0.43 0.18 -0.22 1.56 -0.69 0.00 0.00 178.15 178.56 1f04 h GLN 13 N 0.98 0.00 0.00 2.37 1.08 0.21 -2.43 115.11 117.32 1f04 h GLN 13 Ca 0.44 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.64 1f04 h GLN 13 Cb 0.33 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.76 1f04 h GLN 13 CO -0.22 0.22 -0.01 0.87 -0.95 0.00 0.00 178.83 178.73 1f04 h LYS 14 N 0.00 0.00 -3.31 1.46 1.79 0.13 -3.35 116.57 113.30 1f04 h LYS 14 Ca -0.00 0.00 -0.71 0.00 -2.18 0.00 0.00 60.65 57.76 1f04 h LYS 14 Cb 0.57 0.00 -0.35 0.00 -1.58 0.00 0.00 32.23 30.87 1f04 h LYS 14 CO 0.03 0.01 -0.04 0.72 -1.08 0.00 0.00 179.45 179.09 1f04 n HIS 15 N -3.16 4.28 -2.74 -1.35 8.25 -0.92 -4.86 115.22 114.73 1f04 n HIS 15 Ca -0.02 -4.10 -0.08 0.00 -0.26 0.00 0.00 57.72 53.26 1f04 n HIS 15 Cb 0.15 -1.18 0.07 0.00 1.12 0.00 0.00 29.99 30.15 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 2.29 -2.60 0.15 0.41 0.23 -1.17 -2.63 115.26 111.94 1f04 n ASN 16 Ca 0.22 -3.34 0.00 0.00 -0.53 0.00 0.00 54.58 50.93 1f04 n ASN 16 Cb 0.37 1.80 0.00 0.00 -2.08 0.00 0.00 39.78 39.87 1f04 n ASN 16 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1f04 n ASN 17 N 1.17 -0.88 0.00 0.53 3.02 -1.26 -4.93 115.26 112.91 1f04 n ASN 17 Ca 0.07 0.54 0.00 0.00 -0.03 0.00 0.00 54.58 55.16 1f04 n ASN 17 Cb 0.66 1.01 0.00 0.00 -0.61 0.00 0.00 39.78 40.84 1f04 n ASN 17 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 1f04 n SER 18 N -3.42 0.00 -0.19 6.41 2.88 -1.26 -4.99 113.62 113.05 1f04 n SER 18 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1f04 n SER 18 Cb 0.00 0.03 0.10 0.00 -0.75 0.00 0.00 64.21 63.59 1f04 n SER 18 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 1f04 h LYS 19 N 0.00 0.21 -3.29 -1.46 1.57 -1.99 -3.40 116.57 108.21 1f04 h LYS 19 Ca 0.00 -0.01 -0.23 0.00 -1.87 0.00 0.00 60.65 58.53 1f04 h LYS 19 Cb 0.00 -0.05 -0.31 0.00 0.08 0.00 0.00 32.23 31.96 1f04 h LYS 19 CO 0.00 0.14 -0.59 -1.54 -0.57 0.00 0.00 179.45 176.88 1f04 s SER 20 N -5.28 -0.11 -0.62 0.86 1.04 -1.26 -5.02 113.70 103.31 1f04 s SER 20 Ca -0.13 0.29 -0.07 0.00 0.48 0.00 0.00 55.95 56.52 1f04 s SER 20 Cb 0.18 0.20 0.16 0.00 0.10 0.00 0.00 66.02 66.66 1f04 s SER 20 CO 0.74 -0.13 0.48 -0.89 0.98 0.00 0.00 173.24 174.42 1f04 s THR 21 N 0.94 4.30 0.49 2.02 2.01 -1.26 -3.03 115.64 121.10 1f04 s THR 21 Ca -0.07 -2.46 0.09 0.00 0.31 0.00 0.00 61.69 59.55 1f04 s THR 21 Cb -0.09 -3.77 0.04 0.00 0.01 0.00 0.00 72.50 68.69 1f04 s THR 21 CO -0.05 -0.88 0.65 0.26 -0.69 0.00 0.00 174.62 173.91 1f04 s TRP 22 N 0.45 2.19 0.00 4.92 0.52 -1.08 -2.76 118.94 123.19 1f04 s TRP 22 Ca 0.14 -0.55 0.00 0.00 0.02 0.00 0.00 56.10 55.70 1f04 s TRP 22 Cb -0.20 -2.28 0.00 0.00 -1.15 0.00 0.00 33.47 29.84 1f04 s TRP 22 CO -0.04 -0.71 0.00 1.47 0.02 0.00 0.00 176.95 177.69 1f04 n LEU 23 N -2.00 0.00 -3.96 2.99 -0.00 -1.24 -0.14 117.00 112.66 1f04 n LEU 23 Ca 0.11 0.00 -0.29 0.00 -0.00 0.00 0.00 56.01 55.83 1f04 n LEU 23 Cb 0.60 0.00 -0.16 0.00 -0.00 0.00 0.00 43.42 43.86 1f04 n LEU 23 CO 0.40 0.00 -0.45 -0.63 -0.00 0.00 0.00 177.39 176.70 1f04 s ILE 24 N -2.00 1.37 -0.43 1.47 1.01 -1.26 -2.55 121.20 118.80 1f04 s ILE 24 Ca 0.00 -0.68 0.03 0.00 0.00 0.00 0.00 60.65 60.00 1f04 s ILE 24 Cb 0.00 -1.42 0.12 0.00 0.01 0.00 0.00 42.46 41.16 1f04 s ILE 24 CO 0.00 0.27 0.16 -0.76 0.00 0.00 0.00 174.94 174.61 1f04 s LEU 25 N 1.54 4.61 -0.79 2.97 1.02 0.19 -2.27 118.68 125.94 1f04 s LEU 25 Ca 0.02 -2.56 -0.03 0.00 0.02 0.00 0.00 54.13 51.58 1f04 s LEU 25 Cb -0.14 -1.65 -0.04 0.00 0.02 0.00 0.00 46.19 44.38 1f04 s LEU 25 CO -0.09 -0.32 0.68 1.41 0.02 0.00 0.00 176.35 178.05 1f04 n HIS 26 N 3.73 -1.72 -1.32 0.29 8.25 -1.26 -3.08 115.22 120.10 1f04 n HIS 26 Ca 0.04 0.64 -0.11 0.00 -0.26 0.00 0.00 57.72 58.03 1f04 n HIS 26 Cb 0.37 -3.84 -0.05 0.00 1.12 0.00 0.00 29.99 27.59 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 -2.90 0.00 -4.71 4.41 4.02 -1.26 -4.96 117.16 111.75 1f04 n TYR 27 Ca -0.10 0.00 -0.26 0.00 -0.01 0.00 0.00 57.90 57.53 1f04 n TYR 27 Cb 0.60 -2.47 -0.17 0.00 -0.02 0.00 0.00 39.34 37.28 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 -2.80 2.03 -0.05 -0.72 1.02 -1.18 -0.31 119.74 117.72 1f04 s LYS 28 Ca 0.00 -0.52 -0.14 0.00 0.02 0.00 0.00 55.97 55.33 1f04 s LYS 28 Cb 0.00 -1.63 -0.05 0.00 -0.52 0.00 0.00 37.83 35.62 1f04 s LYS 28 CO 0.00 0.05 0.35 0.08 -0.92 0.00 0.00 175.35 174.92 1f04 s VAL 29 N 0.62 5.16 -0.25 3.17 1.01 -1.20 -0.64 120.40 128.28 1f04 s VAL 29 Ca -0.15 0.70 -0.01 0.00 0.00 0.00 0.00 61.98 62.52 1f04 s VAL 29 Cb -0.16 -3.66 0.07 0.00 0.00 0.00 0.00 36.38 32.63 1f04 s VAL 29 CO 0.04 0.53 0.04 -0.31 0.00 0.00 0.00 175.10 175.40 1f04 s TYR 30 N -0.67 1.64 -0.53 5.22 2.02 -1.06 -1.44 117.35 122.53 1f04 s TYR 30 Ca 0.21 -1.41 -0.26 0.00 -0.37 0.00 0.00 57.07 55.24 1f04 s TYR 30 Cb -0.15 -1.43 0.03 0.00 -0.40 0.00 0.00 41.96 40.01 1f04 s TYR 30 CO 0.10 -0.75 1.05 0.34 -1.57 0.00 0.00 175.55 174.72 1f04 s ASP 31 N 1.65 6.46 0.00 2.29 2.15 -1.23 -3.72 116.67 124.27 1f04 s ASP 31 Ca 0.02 0.03 0.00 0.00 0.43 0.00 0.00 52.55 53.03 1f04 s ASP 31 Cb -0.18 -2.49 0.00 0.00 -0.30 0.00 0.00 42.92 39.95 1f04 s ASP 31 CO -0.13 -1.27 0.00 0.18 -0.17 0.00 0.00 175.17 173.77 1f04 n LEU 32 N 7.76 0.00 0.00 -1.34 4.32 -1.11 -4.92 117.00 121.71 1f04 n LEU 32 Ca 0.06 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.05 1f04 n LEU 32 Cb 0.48 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.28 1f04 n LEU 32 CO 0.68 0.00 0.00 0.41 -1.22 0.00 0.00 177.39 177.26 1f04 n THR 33 N 0.00 0.00 0.87 -5.08 -1.04 -1.25 -4.00 114.28 103.79 1f04 n THR 33 Ca 0.00 0.00 0.10 0.00 -2.04 0.00 0.00 64.05 62.11 1f04 n THR 33 Cb 0.00 0.00 0.48 0.00 -1.82 0.00 0.00 70.33 68.99 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 0.20 -0.25 -2.82 5.02 -1.26 -1.86 118.16 117.19 1f04 n LYS 34 Ca 0.00 0.12 0.09 0.00 -2.02 0.00 0.00 58.31 56.49 1f04 n LYS 34 Cb 0.00 -1.50 0.22 0.00 -0.02 0.00 0.00 35.03 33.73 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 -1.35 0.65 0.40 2.13 7.35 -1.26 -4.62 117.46 120.77 1f04 n PHE 35 Ca 0.08 -0.45 -0.18 0.00 -0.76 0.00 0.00 57.45 56.14 1f04 n PHE 35 Cb 0.18 -0.01 -0.09 0.00 0.35 0.00 0.00 39.48 39.91 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 3.19 -0.85 -0.75 -2.13 3.38 -1.70 0.41 115.31 116.87 1f04 h LEU 36 Ca 0.00 0.02 -0.12 0.00 0.09 0.00 0.00 57.88 57.87 1f04 h LEU 36 Cb 0.85 0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.81 1f04 h LEU 36 CO 0.00 -0.57 -0.28 1.05 0.09 0.00 0.00 178.44 178.73 1f04 h GLU 37 N -1.07 0.65 -0.49 1.13 4.11 -1.84 -3.12 114.58 113.96 1f04 h GLU 37 Ca -0.10 -0.27 -0.10 0.00 0.07 0.00 0.00 59.36 58.95 1f04 h GLU 37 Cb 0.78 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.99 1f04 h GLU 37 CO 0.17 0.86 -0.11 0.93 0.07 0.00 0.00 179.01 180.93 1f04 h GLU 38 N 0.56 0.90 -6.23 1.06 5.08 -1.80 -3.43 114.58 110.71 1f04 h GLU 38 Ca 0.07 -0.31 -0.61 0.00 -1.00 0.00 0.00 59.36 57.51 1f04 h GLU 38 Cb 0.76 -0.07 0.01 0.00 0.50 0.00 0.00 28.75 29.96 1f04 h GLU 38 CO 0.06 0.96 1.17 1.58 -1.00 0.00 0.00 179.01 181.78 1f04 n HIS 39 N -4.15 2.26 -2.00 4.33 -0.00 0.14 -4.82 115.22 110.98 1f04 n HIS 39 Ca 0.01 -0.03 -0.36 0.00 0.46 0.00 0.00 57.72 57.81 1f04 n HIS 39 Cb 0.38 -2.67 -0.04 0.00 -0.12 0.00 0.00 29.99 27.54 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 7.06 2.07 0.00 1.57 -0.04 -1.26 -3.08 135.00 141.31 1f04 n PRO 40 Ca 0.25 -2.56 0.00 0.00 -0.04 0.00 0.00 63.50 61.14 1f04 n PRO 40 Cb 0.31 -3.49 0.00 0.00 -0.04 0.00 0.00 33.50 30.28 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 5.33 0.32 0.00 0.55 0.00 -1.26 -5.14 105.19 104.98 1f04 n GLY 41 Ca 0.47 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.32 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 -1.46 1.43 3.53 -0.02 0.00 -1.18 -4.96 105.19 102.54 1f04 n GLY 42 Ca 0.00 -1.02 -0.23 0.00 0.00 0.00 0.00 46.02 44.76 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 2.12 0.41 0.00 1.61 0.28 -1.25 -3.86 120.64 119.95 1f04 n GLU 43 Ca 0.00 -0.35 0.00 0.00 -0.16 0.00 0.00 57.16 56.65 1f04 n GLU 43 Cb 0.00 -2.58 0.00 0.00 1.43 0.00 0.00 31.44 30.29 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 13.34 0.00 -0.15 -1.84 0.00 -1.26 -4.87 120.51 125.72 1f04 n ALA 44 Ca 0.54 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.88 1f04 n ALA 44 Cb 0.31 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.76 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 1.25 0.00 0.00 3.04 -1.95 0.23 116.25 118.82 1f04 h VAL 45 Ca 0.00 -0.92 -0.02 0.00 -1.01 0.00 0.00 66.70 64.75 1f04 h VAL 45 Cb 0.00 1.01 -0.00 0.00 -2.01 0.00 0.00 31.29 30.29 1f04 h VAL 45 CO 0.00 0.32 -0.09 0.25 -1.01 0.00 0.00 177.57 177.04 1f04 h LEU 46 N 0.58 0.00 0.05 3.16 5.85 -1.93 -0.97 115.31 122.05 1f04 h LEU 46 Ca 0.13 0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.74 1f04 h LEU 46 Cb 0.41 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.45 1f04 h LEU 46 CO 0.01 0.09 -0.47 -0.09 -0.34 0.00 0.00 178.44 177.64 1f04 h ARG 47 N 0.00 0.24 -0.54 1.25 9.65 -1.71 -3.05 114.38 120.22 1f04 h ARG 47 Ca -0.00 -0.32 -0.10 0.00 -1.10 0.00 0.00 59.98 58.46 1f04 h ARG 47 Cb 0.20 0.10 -0.02 0.00 -1.39 0.00 0.00 29.97 28.87 1f04 h ARG 47 CO 0.01 1.08 -0.07 0.00 2.80 0.00 0.00 179.97 183.79 1f04 h ALA 48 N 0.17 0.85 0.00 2.80 0.00 -0.18 -1.64 119.26 121.26 1f04 h ALA 48 Ca -0.07 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1f04 h ALA 48 Cb 1.28 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1f04 h ALA 48 CO 0.09 0.66 0.00 1.04 0.00 0.00 0.00 179.25 181.04 1f04 n GLN 49 N -4.16 0.34 -1.74 0.00 1.13 -0.40 -4.85 117.38 107.71 1f04 n GLN 49 Ca 0.02 0.05 -0.39 0.00 -1.94 0.00 0.00 57.00 54.74 1f04 n GLN 49 Cb 0.37 -1.50 0.03 0.00 0.11 0.00 0.00 30.24 29.26 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 -1.29 1.62 0.00 -1.58 0.00 -0.62 -3.39 120.51 115.25 1f04 n ALA 50 Ca 0.12 0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.74 1f04 n ALA 50 Cb 0.21 -2.34 0.00 0.00 0.00 0.00 0.00 19.45 17.31 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 0.73 1.82 0.00 0.00 0.00 0.81 -4.77 105.19 103.78 1f04 n GLY 51 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 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 -0.22 1.22 3.04 -0.02 0.00 -1.22 -2.33 105.19 105.66 1f04 n GLY 52 Ca 0.00 -2.14 -0.23 0.00 0.00 0.00 0.00 46.02 43.66 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 -6.19 -0.99 1.61 2.03 -1.26 -4.71 116.55 107.04 1f04 n ASP 53 Ca 0.00 -0.30 0.10 0.00 0.52 0.00 0.00 54.79 55.11 1f04 n ASP 53 Cb 0.00 -4.99 0.20 0.00 -0.72 0.00 0.00 41.12 35.61 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 -3.62 2.35 0.44 -1.67 0.00 -1.07 -4.57 120.51 112.37 1f04 n ALA 54 Ca -0.11 -1.06 -0.19 0.00 0.00 0.00 0.00 53.44 52.08 1f04 n ALA 54 Cb 0.62 -0.71 -0.09 0.00 0.00 0.00 0.00 19.45 19.26 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 3.55 0.19 -0.40 0.00 2.02 -1.79 0.27 112.91 116.75 1f04 h THR 55 Ca 0.00 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.18 1f04 h THR 55 Cb 0.86 0.19 -0.02 0.00 -1.74 0.00 0.00 68.15 67.45 1f04 h THR 55 CO 0.00 0.00 0.23 0.00 0.37 0.00 0.00 175.52 176.12 1f04 h ALA 56 N -0.91 1.65 -0.02 6.16 0.00 -1.90 -0.01 119.26 124.23 1f04 h ALA 56 Ca -0.11 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 1f04 h ALA 56 Cb 0.85 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1f04 h ALA 56 CO 0.18 0.30 -0.12 -0.91 0.00 0.00 0.00 179.25 178.71 1f04 h ASN 57 N 0.55 0.14 0.06 0.00 4.21 -1.76 -1.08 115.58 117.71 1f04 h ASN 57 Ca 0.15 -0.67 0.02 0.00 1.21 0.00 0.00 56.30 57.01 1f04 h ASN 57 Cb -0.00 -0.04 -0.04 0.00 -1.12 0.00 0.00 38.32 37.12 1f04 h ASN 57 CO -0.03 0.79 -0.27 0.15 -1.29 0.00 0.00 177.43 176.78 1f04 h PHE 58 N -0.50 -0.72 -0.03 1.19 3.04 -0.24 -2.80 116.94 116.88 1f04 h PHE 58 Ca -0.01 0.02 -0.07 0.00 3.98 0.00 0.00 57.97 61.90 1f04 h PHE 58 Cb 0.79 0.31 -0.01 0.00 2.56 0.00 0.00 35.95 39.60 1f04 h PHE 58 CO 0.15 -0.37 -0.29 1.05 -2.02 0.00 0.00 178.31 176.83 1f04 h GLU 59 N -0.45 0.05 -1.11 1.11 -0.00 -1.06 -2.60 114.58 110.52 1f04 h GLU 59 Ca 0.04 -0.02 0.34 0.00 -0.00 0.00 0.00 59.36 59.73 1f04 h GLU 59 Cb 0.50 -0.00 -0.13 0.00 -0.00 0.00 0.00 28.75 29.12 1f04 h GLU 59 CO -0.19 0.34 0.68 0.00 -0.00 0.00 0.00 179.01 179.84 1f04 h ALA 60 N 1.66 2.26 0.05 1.06 0.00 -0.91 0.22 119.26 123.60 1f04 h ALA 60 Ca 0.00 0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 1f04 h ALA 60 Cb 0.54 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1f04 h ALA 60 CO 0.04 -0.82 -0.02 0.28 0.00 0.00 0.00 179.25 178.72 1f04 h VAL 61 N 0.28 1.30 0.00 0.00 2.07 -1.53 -3.49 116.25 114.88 1f04 h VAL 61 Ca 0.72 -1.51 0.00 0.00 0.82 0.00 0.00 66.70 66.73 1f04 h VAL 61 Cb 1.89 2.25 0.00 0.00 -1.52 0.00 0.00 31.29 33.91 1f04 h VAL 61 CO -0.46 0.36 0.00 0.61 0.02 0.00 0.00 177.57 178.10 1f04 n GLY 62 N 0.83 2.81 1.12 2.17 0.00 0.76 -5.05 105.19 107.84 1f04 n GLY 62 Ca -0.08 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.23 1f04 n GLY 62 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1f04 n HIS 63 N 0.00 -2.95 -2.13 1.61 8.25 -1.26 -4.80 115.22 113.93 1f04 n HIS 63 Ca 0.00 1.54 -0.27 0.00 -0.26 0.00 0.00 57.72 58.73 1f04 n HIS 63 Cb 0.00 -2.80 0.13 0.00 1.12 0.00 0.00 29.99 28.44 1f04 n HIS 63 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1f04 s SER 64 N -1.95 3.89 0.16 0.41 0.01 -1.26 -4.81 113.70 110.15 1f04 s SER 64 Ca 0.00 0.21 -0.16 0.00 1.31 0.00 0.00 55.95 57.31 1f04 s SER 64 Cb 0.00 -0.50 0.07 0.00 0.21 0.00 0.00 66.02 65.80 1f04 s SER 64 CO 0.00 -2.22 1.72 0.74 0.41 0.00 0.00 173.24 173.90 1f04 h THR 65 N -1.12 0.81 -0.71 1.44 2.02 -1.97 0.32 112.91 113.70 1f04 h THR 65 Ca -0.43 -0.06 0.14 0.00 0.77 0.00 0.00 66.41 66.83 1f04 h THR 65 Cb 1.27 0.62 -0.10 0.00 -1.74 0.00 0.00 68.15 68.20 1f04 h THR 65 CO 0.46 0.03 0.22 -0.78 0.37 0.00 0.00 175.52 175.82 1f04 h ASP 66 N 0.17 0.13 -0.12 4.18 3.58 -1.98 0.31 116.42 122.70 1f04 h ASP 66 Ca 0.17 0.12 -0.01 0.00 0.42 0.00 0.00 57.03 57.73 1f04 h ASP 66 Cb 0.20 0.13 -0.01 0.00 1.72 0.00 0.00 39.33 41.38 1f04 h ASP 66 CO -0.23 0.04 0.04 0.00 -2.88 0.00 0.00 179.24 176.21 1f04 h ALA 67 N 1.55 0.16 0.00 -0.78 0.00 -1.68 0.37 119.26 118.87 1f04 h ALA 67 Ca 0.39 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.18 1f04 h ALA 67 Cb 0.61 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 1f04 h ALA 67 CO -0.43 -0.24 -0.01 0.00 0.00 0.00 0.00 179.25 178.57 1f04 h ARG 68 N 0.01 0.00 0.08 0.00 3.08 0.68 0.78 114.38 119.01 1f04 h ARG 68 Ca 0.04 0.00 -0.32 0.00 0.07 0.00 0.00 59.98 59.77 1f04 h ARG 68 Cb 0.21 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.23 1f04 h ARG 68 CO -0.00 0.01 -1.73 0.93 -1.07 0.00 0.00 179.97 178.11 1f04 h GLU 69 N 0.00 0.17 0.46 0.04 4.39 -0.28 -3.31 114.58 116.05 1f04 h GLU 69 Ca -0.00 -0.29 -0.02 0.00 0.34 0.00 0.00 59.36 59.38 1f04 h GLU 69 Cb 0.02 0.11 0.00 0.00 -0.10 0.00 0.00 28.75 28.78 1f04 h GLU 69 CO 0.00 0.95 -0.22 1.25 -1.16 0.00 0.00 179.01 179.83 1f04 h LEU 70 N 0.05 -0.52 -0.98 1.33 5.85 0.24 -2.95 115.31 118.33 1f04 h LEU 70 Ca -0.31 -0.06 0.16 0.00 0.84 0.00 0.00 57.88 58.51 1f04 h LEU 70 Cb 2.02 0.13 -0.17 0.00 0.37 0.00 0.00 40.66 43.02 1f04 h LEU 70 CO 0.11 -0.25 -0.35 -1.54 -0.34 0.00 0.00 178.44 176.08 1f04 n SER 71 N -5.29 -0.56 -0.25 1.25 3.41 0.22 0.43 113.62 112.83 1f04 n SER 71 Ca -0.11 1.70 0.06 0.00 -0.26 0.00 0.00 58.87 60.26 1f04 n SER 71 Cb 0.29 -0.42 0.17 0.00 -0.26 0.00 0.00 64.21 63.99 1f04 n SER 71 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1f04 h LYS 72 N 0.00 0.14 -0.11 4.33 1.79 -1.61 0.52 116.57 121.64 1f04 h LYS 72 Ca 0.37 -0.01 0.03 0.00 -2.18 0.00 0.00 60.65 58.87 1f04 h LYS 72 Cb 0.62 -0.03 -0.00 0.00 -1.58 0.00 0.00 32.23 31.23 1f04 h LYS 72 CO -0.98 0.09 0.09 1.15 -1.08 0.00 0.00 179.45 178.73 1f04 h THR 73 N 0.15 0.78 -0.01 -0.16 2.02 0.14 -0.44 112.91 115.38 1f04 h THR 73 Ca 0.42 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.60 1f04 h THR 73 Cb 0.74 0.93 0.00 0.00 -1.74 0.00 0.00 68.15 68.08 1f04 h THR 73 CO -0.62 0.00 -0.20 0.49 0.37 0.00 0.00 175.52 175.56 1f04 n PHE 74 N -4.26 0.00 -1.73 3.16 3.72 0.15 -4.96 117.46 113.55 1f04 n PHE 74 Ca -0.00 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.98 1f04 n PHE 74 Cb 0.21 -0.06 -0.02 0.00 -0.94 0.00 0.00 39.48 38.67 1f04 n PHE 74 CO 0.00 0.00 0.00 1.51 -0.05 0.00 0.00 176.76 178.22 1f04 n ILE 75 N -0.14 0.69 0.73 4.37 3.06 0.51 -3.48 119.36 125.11 1f04 n ILE 75 Ca 0.14 -0.17 0.07 0.00 -2.50 0.00 0.00 62.75 60.29 1f04 n ILE 75 Cb 0.39 -1.92 -0.08 0.00 0.54 0.00 0.00 39.64 38.58 1f04 n ILE 75 CO 0.00 0.00 0.00 2.30 -2.50 0.00 0.00 176.55 176.35 1f04 n ILE 76 N 2.69 0.00 0.00 9.51 -5.35 -0.52 -4.93 119.36 120.76 1f04 n ILE 76 Ca 0.11 -0.16 0.00 0.00 -0.27 0.00 0.00 62.75 62.44 1f04 n ILE 76 Cb 0.35 1.02 0.00 0.00 -1.74 0.00 0.00 39.64 39.28 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 1.34 -0.44 3.27 3.28 0.00 -1.25 -4.93 105.19 106.47 1f04 n GLY 77 Ca 0.03 -0.53 -0.15 0.00 0.00 0.00 0.00 46.02 45.38 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 1.34 0.20 1.61 2.02 -1.26 -3.25 118.70 117.36 1f04 s GLU 78 Ca 0.00 -1.72 -0.30 0.00 0.02 0.00 0.00 54.97 52.98 1f04 s GLU 78 Cb 0.00 -0.04 -0.08 0.00 0.10 0.00 0.00 34.13 34.11 1f04 s GLU 78 CO 0.00 -0.34 1.13 -1.17 0.02 0.00 0.00 175.26 174.90 1f04 s LEU 79 N -3.25 4.49 0.42 1.80 2.96 0.57 -1.43 118.68 124.25 1f04 s LEU 79 Ca 0.38 2.17 -0.25 0.00 -0.22 0.00 0.00 54.13 56.21 1f04 s LEU 79 Cb 0.07 -3.61 -0.10 0.00 0.50 0.00 0.00 46.19 43.06 1f04 s LEU 79 CO 0.13 -0.25 1.16 1.57 -1.32 0.00 0.00 176.35 177.65 1f04 n HIS 80 N 2.15 1.73 0.43 5.38 -0.00 0.28 -4.69 115.22 120.50 1f04 n HIS 80 Ca 0.02 0.52 0.08 0.00 -0.00 0.00 0.00 57.72 58.35 1f04 n HIS 80 Cb 0.45 -2.31 0.36 0.00 -0.00 0.00 0.00 29.99 28.49 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 0.04 0.07 0.09 1.57 -0.04 -1.26 -2.42 135.00 133.04 1f04 n PRO 81 Ca 0.08 0.33 -0.06 0.00 -0.04 0.00 0.00 63.50 63.81 1f04 n PRO 81 Cb 0.39 -1.63 0.06 0.00 -0.04 0.00 0.00 33.50 32.28 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 0.20 -0.26 3.54 3.58 -1.97 -3.21 116.42 118.30 1f04 h ASP 82 Ca 0.00 -0.14 -0.04 0.00 0.42 0.00 0.00 57.03 57.27 1f04 h ASP 82 Cb 0.27 -0.06 -0.01 0.00 1.72 0.00 0.00 39.33 41.25 1f04 h ASP 82 CO 0.00 0.88 0.02 -0.78 -2.88 0.00 0.00 179.24 176.48 1f04 h ASP 83 N 0.10 0.43 0.00 2.28 1.82 -1.85 -3.51 116.42 115.70 1f04 h ASP 83 Ca -0.02 -0.29 0.00 0.00 -0.39 0.00 0.00 57.03 56.33 1f04 h ASP 83 Cb 1.32 -0.12 0.00 0.00 0.68 0.00 0.00 39.33 41.22 1f04 h ASP 83 CO 0.11 0.61 0.00 0.54 -1.61 0.00 0.00 179.24 178.89