#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 0.00 -3.95 0.00 0.24 -1.26 -4.91 118.33 108.46 1f04 n VAL 4 Ca 0.00 0.00 -0.10 0.00 -2.04 0.00 0.00 64.34 62.20 1f04 n VAL 4 Cb 0.00 -0.07 -0.11 0.00 -1.47 0.00 0.00 33.84 32.19 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 -0.42 0.32 0.18 7.34 2.20 -1.26 -5.08 119.74 123.02 1f04 s LYS 5 Ca 0.00 -0.50 0.07 0.00 -0.36 0.00 0.00 55.97 55.17 1f04 s LYS 5 Cb 0.00 0.12 -0.04 0.00 -1.51 0.00 0.00 37.83 36.40 1f04 s LYS 5 CO 0.00 -0.06 0.06 0.71 -0.36 0.00 0.00 175.35 175.71 1f04 s TYR 6 N -1.30 2.97 0.01 4.03 1.51 -1.26 -1.64 117.35 121.67 1f04 s TYR 6 Ca -0.14 -0.10 0.05 0.00 -1.01 0.00 0.00 57.07 55.87 1f04 s TYR 6 Cb -0.09 -1.42 -0.02 0.00 -0.11 0.00 0.00 41.96 40.33 1f04 s TYR 6 CO -0.00 0.53 -0.16 0.71 -1.11 0.00 0.00 175.55 175.51 1f04 s TYR 7 N -1.81 1.42 0.61 2.71 2.02 -0.41 -4.81 117.35 117.09 1f04 s TYR 7 Ca 0.29 -0.30 -0.15 0.00 -0.37 0.00 0.00 57.07 56.55 1f04 s TYR 7 Cb -0.09 -0.89 -0.03 0.00 -0.40 0.00 0.00 41.96 40.55 1f04 s TYR 7 CO 0.21 0.00 1.06 0.95 -1.57 0.00 0.00 175.55 176.20 1f04 s THR 8 N -0.53 3.80 0.27 -0.71 -4.23 -1.26 -1.10 115.64 111.88 1f04 s THR 8 Ca 0.05 0.81 0.00 0.00 -1.18 0.00 0.00 61.69 61.37 1f04 s THR 8 Cb -0.07 -3.36 0.26 0.00 1.34 0.00 0.00 72.50 70.67 1f04 s THR 8 CO 0.00 -0.55 1.73 0.25 -0.54 0.00 0.00 174.62 175.51 1f04 h LEU 9 N 0.22 0.41 0.62 4.79 6.46 -1.99 -0.31 115.31 125.52 1f04 h LEU 9 Ca -0.46 0.12 -0.02 0.00 -0.12 0.00 0.00 57.88 57.39 1f04 h LEU 9 Cb 1.22 0.07 -0.01 0.00 -0.73 0.00 0.00 40.66 41.21 1f04 h LEU 9 CO 0.57 0.11 -0.45 -0.08 -0.62 0.00 0.00 178.44 177.97 1f04 h GLU 10 N 0.50 -1.00 -0.53 1.25 4.57 -1.97 0.32 114.58 117.72 1f04 h GLU 10 Ca 0.49 0.07 0.11 0.00 -1.18 0.00 0.00 59.36 58.85 1f04 h GLU 10 Cb 0.81 0.23 -0.09 0.00 -0.16 0.00 0.00 28.75 29.54 1f04 h GLU 10 CO -0.44 -0.67 -0.06 0.93 -1.18 0.00 0.00 179.01 177.60 1f04 h GLU 11 N -1.04 0.06 -0.57 1.92 3.07 -1.77 0.17 114.58 116.42 1f04 h GLU 11 Ca -0.08 -0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.76 1f04 h GLU 11 Cb 0.86 -0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 28.73 1f04 h GLU 11 CO 0.03 0.04 0.29 0.82 -1.40 0.00 0.00 179.01 178.80 1f04 h ILE 12 N 0.06 1.20 -0.58 3.13 2.04 -0.87 -2.22 117.51 120.28 1f04 h ILE 12 Ca 0.26 -0.53 0.05 0.00 1.00 0.00 0.00 64.86 65.64 1f04 h ILE 12 Cb 0.41 0.50 -0.03 0.00 -0.74 0.00 0.00 36.82 36.96 1f04 h ILE 12 CO -0.49 0.22 0.39 1.56 0.00 0.00 0.00 178.15 179.83 1f04 h GLN 13 N 0.77 0.58 0.00 2.37 1.08 1.00 0.40 115.11 121.31 1f04 h GLN 13 Ca 0.20 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.36 1f04 h GLN 13 Cb 0.08 -0.13 0.00 0.00 -0.05 0.00 0.00 27.48 27.38 1f04 h GLN 13 CO -0.03 0.38 0.00 0.87 -0.95 0.00 0.00 178.83 179.11 1f04 h LYS 14 N 0.60 0.00 -3.07 1.46 1.57 -0.08 -3.31 116.57 113.74 1f04 h LYS 14 Ca 0.24 0.00 -0.75 0.00 -1.87 0.00 0.00 60.65 58.27 1f04 h LYS 14 Cb 0.21 0.00 -0.32 0.00 0.08 0.00 0.00 32.23 32.21 1f04 h LYS 14 CO -0.07 0.00 0.32 0.72 -0.57 0.00 0.00 179.45 179.85 1f04 n HIS 15 N -2.92 3.65 -2.73 -1.35 8.25 0.13 -4.75 115.22 115.49 1f04 n HIS 15 Ca -0.03 -3.48 -0.08 0.00 -0.26 0.00 0.00 57.72 53.87 1f04 n HIS 15 Cb 0.07 -1.25 0.10 0.00 1.12 0.00 0.00 29.99 30.03 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 1.81 -1.82 -2.69 0.41 0.23 -0.61 -1.89 115.26 110.70 1f04 n ASN 16 Ca 0.25 -2.99 -0.08 0.00 -0.53 0.00 0.00 54.58 51.23 1f04 n ASN 16 Cb 0.36 1.25 0.09 0.00 -2.08 0.00 0.00 39.78 39.40 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 -0.16 -0.83 0.00 0.53 4.13 -1.21 -4.93 115.26 112.79 1f04 n ASN 17 Ca 0.02 -2.55 0.00 0.00 1.68 0.00 0.00 54.58 53.73 1f04 n ASN 17 Cb 0.78 0.52 0.00 0.00 -1.54 0.00 0.00 39.78 39.55 1f04 n ASN 17 CO 0.00 0.00 0.00 -0.24 0.28 0.00 0.00 177.26 177.30 1f04 n SER 18 N -0.42 0.00 -0.34 6.41 2.88 -1.26 -4.62 113.62 116.27 1f04 n SER 18 Ca 0.01 0.00 0.14 0.00 -1.33 0.00 0.00 58.87 57.69 1f04 n SER 18 Cb 0.84 0.00 0.27 0.00 -0.75 0.00 0.00 64.21 64.57 1f04 n SER 18 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 1f04 h LYS 19 N 0.00 0.01 -2.74 -1.46 3.64 -1.96 -3.36 116.57 110.69 1f04 h LYS 19 Ca 0.00 -0.00 -0.15 0.00 -1.27 0.00 0.00 60.65 59.23 1f04 h LYS 19 Cb 0.00 -0.00 -0.29 0.00 -0.41 0.00 0.00 32.23 31.53 1f04 h LYS 19 CO 0.00 0.01 -0.41 -1.54 -2.27 0.00 0.00 179.45 175.24 1f04 s SER 20 N -5.04 -0.21 -0.71 4.20 1.04 -1.26 -5.00 113.70 106.72 1f04 s SER 20 Ca -0.13 0.77 -0.08 0.00 0.48 0.00 0.00 55.95 56.99 1f04 s SER 20 Cb 0.29 0.81 0.18 0.00 0.10 0.00 0.00 66.02 67.40 1f04 s SER 20 CO 0.78 -0.21 0.58 -0.89 0.98 0.00 0.00 173.24 174.48 1f04 s THR 21 N 1.88 4.58 0.57 2.02 2.01 -1.26 -1.58 115.64 123.86 1f04 s THR 21 Ca -0.05 -2.69 0.09 0.00 0.31 0.00 0.00 61.69 59.35 1f04 s THR 21 Cb -0.10 -3.90 0.08 0.00 0.01 0.00 0.00 72.50 68.58 1f04 s THR 21 CO -0.11 -0.94 0.74 0.26 -0.69 0.00 0.00 174.62 173.88 1f04 s TRP 22 N 0.11 1.44 0.00 4.92 0.52 -0.79 -1.97 118.94 123.16 1f04 s TRP 22 Ca 0.17 -0.74 0.00 0.00 0.02 0.00 0.00 56.10 55.55 1f04 s TRP 22 Cb -0.16 -2.17 0.00 0.00 -1.15 0.00 0.00 33.47 29.99 1f04 s TRP 22 CO -0.06 -1.07 0.00 1.47 0.02 0.00 0.00 176.95 177.32 1f04 n LEU 23 N -2.18 0.00 -4.15 2.99 -0.00 -1.25 -0.11 117.00 112.29 1f04 n LEU 23 Ca 0.13 0.00 -0.33 0.00 -0.00 0.00 0.00 56.01 55.81 1f04 n LEU 23 Cb 0.62 0.00 -0.15 0.00 -0.00 0.00 0.00 43.42 43.89 1f04 n LEU 23 CO 0.40 0.00 -0.47 -0.63 -0.00 0.00 0.00 177.39 176.69 1f04 s ILE 24 N -2.00 2.44 -0.36 1.47 1.01 -1.07 -3.23 121.20 119.46 1f04 s ILE 24 Ca 0.00 -1.05 0.02 0.00 0.00 0.00 0.00 60.65 59.61 1f04 s ILE 24 Cb 0.00 -2.18 0.10 0.00 0.01 0.00 0.00 42.46 40.40 1f04 s ILE 24 CO 0.00 0.32 0.10 -0.76 0.00 0.00 0.00 174.94 174.60 1f04 s LEU 25 N 1.28 4.89 -0.98 2.97 1.02 -0.25 -2.00 118.68 125.61 1f04 s LEU 25 Ca 0.01 -2.08 -0.01 0.00 0.02 0.00 0.00 54.13 52.07 1f04 s LEU 25 Cb -0.15 -1.70 -0.02 0.00 0.02 0.00 0.00 46.19 44.34 1f04 s LEU 25 CO -0.08 -0.43 0.83 1.41 0.02 0.00 0.00 176.35 178.09 1f04 n HIS 26 N 4.38 -1.91 -2.06 0.29 8.25 -1.26 -2.92 115.22 119.98 1f04 n HIS 26 Ca 0.01 0.77 -0.19 0.00 -0.26 0.00 0.00 57.72 58.06 1f04 n HIS 26 Cb 0.42 -4.40 -0.04 0.00 1.12 0.00 0.00 29.99 27.09 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 -3.45 -0.56 -4.15 4.41 4.01 -1.26 -4.97 117.16 111.17 1f04 n TYR 27 Ca -0.19 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.36 1f04 n TYR 27 Cb 0.63 -3.52 -0.16 0.00 -0.31 0.00 0.00 39.34 35.98 1f04 n TYR 27 CO 0.00 0.00 0.00 0.15 -0.46 0.00 0.00 176.86 176.55 1f04 s LYS 28 N -4.45 0.74 -0.09 -0.72 1.02 -1.15 -0.79 119.74 114.31 1f04 s LYS 28 Ca 0.00 -0.10 -0.14 0.00 0.02 0.00 0.00 55.97 55.75 1f04 s LYS 28 Cb 0.00 -0.76 -0.05 0.00 -0.52 0.00 0.00 37.83 36.50 1f04 s LYS 28 CO 0.00 -0.06 0.34 0.08 -0.92 0.00 0.00 175.35 174.79 1f04 s VAL 29 N 0.79 5.21 -0.15 3.17 1.01 -1.17 -1.09 120.40 128.18 1f04 s VAL 29 Ca -0.10 0.66 -0.01 0.00 0.00 0.00 0.00 61.98 62.53 1f04 s VAL 29 Cb -0.13 -3.65 0.04 0.00 0.00 0.00 0.00 36.38 32.64 1f04 s VAL 29 CO 0.00 0.49 -0.04 -0.31 0.00 0.00 0.00 175.10 175.24 1f04 s TYR 30 N -0.35 1.48 -0.36 5.22 2.02 -1.20 -2.10 117.35 122.06 1f04 s TYR 30 Ca 0.20 -0.89 -0.25 0.00 -0.37 0.00 0.00 57.07 55.76 1f04 s TYR 30 Cb -0.15 -1.21 0.01 0.00 -0.40 0.00 0.00 41.96 40.21 1f04 s TYR 30 CO 0.08 -0.56 0.87 0.34 -1.57 0.00 0.00 175.55 174.72 1f04 s ASP 31 N 1.71 6.64 -0.16 2.29 2.15 -1.23 -3.85 116.67 124.22 1f04 s ASP 31 Ca 0.02 0.51 0.16 0.00 0.43 0.00 0.00 52.55 53.67 1f04 s ASP 31 Cb -0.15 -2.44 0.34 0.00 -0.30 0.00 0.00 42.92 40.37 1f04 s ASP 31 CO -0.08 -0.81 1.18 0.18 -0.17 0.00 0.00 175.17 175.48 1f04 n LEU 32 N 6.63 2.50 -0.25 -1.34 4.77 -0.83 -4.83 117.00 123.65 1f04 n LEU 32 Ca 0.06 -3.38 0.04 0.00 -0.03 0.00 0.00 56.01 52.70 1f04 n LEU 32 Cb 0.48 -0.47 0.17 0.00 -2.33 0.00 0.00 43.42 41.28 1f04 n LEU 32 CO 0.56 0.96 1.03 0.00 -1.33 0.00 0.00 177.39 178.61 1f04 h THR 33 N 0.37 0.71 -0.85 -5.08 1.03 -1.89 0.89 112.91 108.09 1f04 h THR 33 Ca 0.00 -0.17 -0.48 0.00 -0.01 0.00 0.00 66.41 65.75 1f04 h THR 33 Cb 1.01 0.18 -0.26 0.00 -1.07 0.00 0.00 68.15 68.00 1f04 h THR 33 CO 0.00 0.09 0.61 1.17 -0.01 0.00 0.00 175.52 177.39 1f04 n LYS 34 N -4.96 2.16 -0.32 0.00 4.81 -1.26 -3.84 118.16 114.76 1f04 n LYS 34 Ca 0.13 -2.63 0.00 0.00 -0.87 0.00 0.00 58.31 54.95 1f04 n LYS 34 Cb 0.37 -2.03 0.00 0.00 0.02 0.00 0.00 35.03 33.39 1f04 n LYS 34 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1f04 n PHE 35 N -0.82 0.00 0.32 5.64 7.35 0.29 -4.86 117.46 125.38 1f04 n PHE 35 Ca 0.52 0.00 -0.14 0.00 -0.76 0.00 0.00 57.45 57.07 1f04 n PHE 35 Cb 1.28 0.01 -0.07 0.00 0.35 0.00 0.00 39.48 41.05 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 -0.72 -1.01 -2.13 3.38 -1.62 0.24 115.31 113.45 1f04 h LEU 36 Ca 0.00 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.98 1f04 h LEU 36 Cb 1.21 0.19 -0.05 0.00 0.09 0.00 0.00 40.66 42.10 1f04 h LEU 36 CO 0.00 -0.33 0.64 -0.33 0.09 0.00 0.00 178.44 178.51 1f04 h GLU 37 N -1.18 1.31 -0.34 1.13 4.39 -1.92 -2.97 114.58 114.99 1f04 h GLU 37 Ca -0.09 -0.09 -0.02 0.00 0.34 0.00 0.00 59.36 59.50 1f04 h GLU 37 Cb 0.67 -0.29 -0.01 0.00 -0.10 0.00 0.00 28.75 29.02 1f04 h GLU 37 CO 0.14 0.87 0.12 0.93 -1.16 0.00 0.00 179.01 179.92 1f04 h GLU 38 N 1.34 0.53 -6.36 2.33 5.08 -1.88 -3.43 114.58 112.19 1f04 h GLU 38 Ca 0.36 -0.11 -0.54 0.00 -1.00 0.00 0.00 59.36 58.08 1f04 h GLU 38 Cb -0.14 -0.08 0.02 0.00 0.50 0.00 0.00 28.75 29.05 1f04 h GLU 38 CO -0.08 0.54 1.23 1.58 -1.00 0.00 0.00 179.01 181.28 1f04 n HIS 39 N -4.67 2.51 -1.95 4.33 -0.00 0.83 -4.85 115.22 111.41 1f04 n HIS 39 Ca -0.01 -0.36 -0.39 0.00 0.46 0.00 0.00 57.72 57.42 1f04 n HIS 39 Cb 0.16 -2.80 -0.03 0.00 -0.12 0.00 0.00 29.99 27.20 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 7.47 2.31 -0.86 1.57 -0.04 -1.26 -3.87 135.00 140.32 1f04 n PRO 40 Ca 0.20 -2.60 -0.05 0.00 -0.04 0.00 0.00 63.50 61.01 1f04 n PRO 40 Cb 0.40 -3.40 -0.05 0.00 -0.04 0.00 0.00 33.50 30.42 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 5.06 0.21 2.70 0.55 0.00 -1.26 -5.11 105.19 107.34 1f04 n GLY 41 Ca 0.49 -0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.47 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 -0.00 -4.38 3.44 -0.02 0.00 -1.25 -4.56 105.19 98.41 1f04 n GLY 42 Ca -0.20 1.27 -0.46 0.00 0.00 0.00 0.00 46.02 46.64 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 1.54 0.18 0.00 1.61 0.28 -1.26 -3.45 120.64 119.53 1f04 n GLU 43 Ca -0.27 0.02 0.00 0.00 -0.16 0.00 0.00 57.16 56.75 1f04 n GLU 43 Cb 0.44 -1.75 0.00 0.00 1.43 0.00 0.00 31.44 31.56 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 10.21 0.00 -0.06 -1.84 0.00 -1.26 -4.94 120.51 122.62 1f04 n ALA 44 Ca 0.59 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.95 1f04 n ALA 44 Cb 0.08 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.51 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 0.60 -0.89 0.00 3.04 -1.80 0.26 116.25 117.46 1f04 h VAL 45 Ca 0.00 0.00 0.10 0.00 -1.01 0.00 0.00 66.70 65.79 1f04 h VAL 45 Cb 0.00 0.60 -0.06 0.00 -2.01 0.00 0.00 31.29 29.82 1f04 h VAL 45 CO 0.00 0.00 0.57 -0.07 -1.01 0.00 0.00 177.57 177.06 1f04 h LEU 46 N -0.10 0.80 -0.53 3.16 4.07 -1.88 0.51 115.31 121.35 1f04 h LEU 46 Ca 0.14 0.02 -0.15 0.00 0.08 0.00 0.00 57.88 57.97 1f04 h LEU 46 Cb 0.30 -0.14 -0.02 0.00 1.08 0.00 0.00 40.66 41.88 1f04 h LEU 46 CO -0.32 0.47 -0.72 -0.09 -1.08 0.00 0.00 178.44 176.70 1f04 h ARG 47 N 0.88 0.00 0.02 1.13 1.12 -1.28 0.16 114.38 116.41 1f04 h ARG 47 Ca 0.41 0.00 -0.03 0.00 -1.11 0.00 0.00 59.98 59.26 1f04 h ARG 47 Cb 0.41 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.37 1f04 h ARG 47 CO -0.18 0.72 -0.12 0.00 -3.11 0.00 0.00 179.97 177.29 1f04 h ALA 48 N 1.28 -0.01 0.00 2.80 0.00 0.21 -3.29 119.26 120.24 1f04 h ALA 48 Ca -0.01 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1f04 h ALA 48 Cb 1.29 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1f04 h ALA 48 CO 0.09 0.04 0.00 1.96 0.00 0.00 0.00 179.25 181.34 1f04 h GLN 49 N -0.86 0.00 -6.64 0.00 7.50 -0.96 -3.46 115.11 110.69 1f04 h GLN 49 Ca -0.02 0.00 -0.58 0.00 0.50 0.00 0.00 58.65 58.55 1f04 h GLN 49 Cb 1.05 0.00 0.14 0.00 0.05 0.00 0.00 27.48 28.72 1f04 h GLN 49 CO 0.02 0.00 0.07 0.00 -1.50 0.00 0.00 178.83 177.42 1f04 n ALA 50 N -1.98 -0.05 -3.82 3.87 0.00 0.56 -3.01 120.51 116.09 1f04 n ALA 50 Ca 0.01 0.17 -0.27 0.00 0.00 0.00 0.00 53.44 53.35 1f04 n ALA 50 Cb 0.27 -2.04 0.01 0.00 0.00 0.00 0.00 19.45 17.69 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 1.29 -0.52 3.80 0.00 0.00 0.84 -4.79 105.19 105.81 1f04 n GLY 51 Ca 0.10 0.26 -0.05 0.00 0.00 0.00 0.00 46.02 46.33 1f04 n GLY 51 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1f04 s GLY 52 N -4.03 -0.17 -0.19 -0.02 0.00 -1.16 -4.51 107.32 97.22 1f04 s GLY 52 Ca 0.18 -0.05 -0.29 0.00 0.00 0.00 0.00 44.72 44.56 1f04 s GLY 52 CO 0.87 -0.04 1.78 0.51 0.00 0.00 0.00 173.10 176.23 1f04 s ASP 53 N -2.93 6.19 -0.04 1.64 -4.77 -1.26 -2.59 116.67 112.90 1f04 s ASP 53 Ca 0.12 1.79 0.08 0.00 -3.30 0.00 0.00 52.55 51.24 1f04 s ASP 53 Cb -0.03 -2.53 0.17 0.00 -1.09 0.00 0.00 42.92 39.44 1f04 s ASP 53 CO 0.04 -1.39 1.12 0.00 0.70 0.00 0.00 175.17 175.65 1f04 n ALA 54 N 9.02 2.18 0.33 2.11 0.00 -0.85 -4.77 120.51 128.54 1f04 n ALA 54 Ca 0.21 -1.48 -0.17 0.00 0.00 0.00 0.00 53.44 52.00 1f04 n ALA 54 Cb 0.45 -0.23 -0.09 0.00 0.00 0.00 0.00 19.45 19.58 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 0.59 0.33 -0.84 0.00 2.02 -1.82 0.24 112.91 113.43 1f04 h THR 55 Ca 0.00 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.21 1f04 h THR 55 Cb 0.73 0.33 -0.05 0.00 -1.74 0.00 0.00 68.15 67.42 1f04 h THR 55 CO 0.02 0.00 0.54 0.00 0.37 0.00 0.00 175.52 176.45 1f04 h ALA 56 N -0.49 1.11 -0.00 6.16 0.00 -1.91 -0.32 119.26 123.81 1f04 h ALA 56 Ca -0.08 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1f04 h ALA 56 Cb 0.68 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 1f04 h ALA 56 CO 0.10 0.37 0.00 -0.97 0.00 0.00 0.00 179.25 178.75 1f04 h ASN 57 N 1.05 0.01 -0.43 0.00 -0.73 -1.79 0.30 115.58 113.98 1f04 h ASN 57 Ca 0.34 -0.23 0.06 0.00 1.87 0.00 0.00 56.30 58.34 1f04 h ASN 57 Cb 0.02 -0.00 -0.05 0.00 0.27 0.00 0.00 38.32 38.55 1f04 h ASN 57 CO -0.12 0.24 0.12 0.15 -0.37 0.00 0.00 177.43 177.45 1f04 h PHE 58 N -0.23 0.20 -0.52 0.67 3.57 -0.31 -1.10 116.94 119.22 1f04 h PHE 58 Ca 0.00 0.02 -0.12 0.00 3.53 0.00 0.00 57.97 61.41 1f04 h PHE 58 Cb 0.23 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 38.94 1f04 h PHE 58 CO 0.00 0.05 -0.15 0.93 -2.23 0.00 0.00 178.31 176.91 1f04 h GLU 59 N 0.26 1.01 -0.17 1.11 4.39 -0.94 -2.27 114.58 117.99 1f04 h GLU 59 Ca 0.21 -0.40 0.03 0.00 0.34 0.00 0.00 59.36 59.54 1f04 h GLU 59 Cb 0.24 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.81 1f04 h GLU 59 CO -0.25 1.08 0.01 0.00 -1.16 0.00 0.00 179.01 178.70 1f04 h ALA 60 N 0.90 0.15 0.00 3.43 0.00 0.20 -0.76 119.26 123.19 1f04 h ALA 60 Ca 0.13 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 1f04 h ALA 60 Cb 0.72 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 1f04 h ALA 60 CO 0.06 -0.43 -0.16 -0.39 0.00 0.00 0.00 179.25 178.32 1f04 h VAL 61 N 0.07 0.52 0.00 0.00 -1.51 -1.24 -3.49 116.25 110.60 1f04 h VAL 61 Ca 0.08 -0.80 0.00 0.00 -1.23 0.00 0.00 66.70 64.74 1f04 h VAL 61 Cb 0.09 1.54 0.00 0.00 -2.13 0.00 0.00 31.29 30.79 1f04 h VAL 61 CO -0.12 0.16 0.00 0.61 -1.23 0.00 0.00 177.57 176.99 1f04 n GLY 62 N -0.27 -2.69 3.17 5.19 0.00 -0.29 -5.07 105.19 105.23 1f04 n GLY 62 Ca -0.01 -1.25 -0.10 0.00 0.00 0.00 0.00 46.02 44.67 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 -2.90 -0.73 1.20 1.61 3.76 -1.26 -4.92 115.29 112.06 1f04 s HIS 63 Ca 0.00 1.32 -0.18 0.00 -0.15 0.00 0.00 55.06 56.05 1f04 s HIS 63 Cb 0.00 0.20 0.28 0.00 1.11 0.00 0.00 32.58 34.17 1f04 s HIS 63 CO 0.00 -0.49 1.06 -1.12 -0.85 0.00 0.00 174.74 173.34 1f04 s SER 64 N 2.57 0.84 0.16 1.40 0.01 -1.26 -4.63 113.70 112.79 1f04 s SER 64 Ca 0.01 0.86 -0.17 0.00 1.31 0.00 0.00 55.95 57.95 1f04 s SER 64 Cb -0.12 -1.26 0.07 0.00 0.21 0.00 0.00 66.02 64.91 1f04 s SER 64 CO -0.12 -4.20 1.68 0.74 0.41 0.00 0.00 173.24 171.75 1f04 h THR 65 N -2.63 0.66 -0.68 1.44 2.02 -2.02 0.02 112.91 111.73 1f04 h THR 65 Ca -0.48 -0.01 0.13 0.00 0.77 0.00 0.00 66.41 66.82 1f04 h THR 65 Cb 1.31 0.64 -0.09 0.00 -1.74 0.00 0.00 68.15 68.27 1f04 h THR 65 CO 0.39 0.00 0.20 -0.78 0.37 0.00 0.00 175.52 175.71 1f04 h ASP 66 N 0.02 0.11 0.16 4.18 1.82 -1.98 0.21 116.42 120.94 1f04 h ASP 66 Ca 0.17 0.12 -0.01 0.00 -0.39 0.00 0.00 57.03 56.92 1f04 h ASP 66 Cb 0.26 0.13 0.00 0.00 0.68 0.00 0.00 39.33 40.40 1f04 h ASP 66 CO -0.35 0.04 -0.08 0.00 -1.61 0.00 0.00 179.24 177.24 1f04 h ALA 67 N 1.53 -0.22 -0.60 -0.78 0.00 -1.61 0.33 119.26 117.91 1f04 h ALA 67 Ca 0.37 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.23 1f04 h ALA 67 Cb 0.57 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 1f04 h ALA 67 CO -0.42 -0.57 0.40 0.07 0.00 0.00 0.00 179.25 178.72 1f04 h ARG 68 N -0.32 0.67 0.12 0.00 0.11 0.66 0.16 114.38 115.79 1f04 h ARG 68 Ca -0.02 -0.04 -0.29 0.00 0.10 0.00 0.00 59.98 59.73 1f04 h ARG 68 Cb 0.25 -0.15 0.02 0.00 1.11 0.00 0.00 29.97 31.20 1f04 h ARG 68 CO 0.04 0.45 -1.23 0.93 0.10 0.00 0.00 179.97 180.25 1f04 h GLU 69 N 0.69 0.52 0.26 0.08 4.39 -0.52 -3.13 114.58 116.87 1f04 h GLU 69 Ca 0.24 -0.72 -0.00 0.00 0.34 0.00 0.00 59.36 59.21 1f04 h GLU 69 Cb 0.09 0.24 -0.01 0.00 -0.10 0.00 0.00 28.75 28.98 1f04 h GLU 69 CO -0.06 1.32 -0.18 1.25 -1.16 0.00 0.00 179.01 180.17 1f04 h LEU 70 N 0.22 -0.46 -0.89 1.33 5.85 0.39 -2.16 115.31 119.58 1f04 h LEU 70 Ca -0.17 0.03 0.20 0.00 0.84 0.00 0.00 57.88 58.78 1f04 h LEU 70 Cb 1.91 0.15 -0.17 0.00 0.37 0.00 0.00 40.66 42.92 1f04 h LEU 70 CO 0.23 -0.28 -0.12 0.28 -0.34 0.00 0.00 178.44 178.20 1f04 h SER 71 N -0.44 -0.66 -0.83 1.25 0.02 -1.04 0.35 113.55 112.20 1f04 h SER 71 Ca -0.02 0.26 0.11 0.00 -0.84 0.00 0.00 61.79 61.30 1f04 h SER 71 Cb 0.38 0.50 -0.08 0.00 0.14 0.00 0.00 62.40 63.34 1f04 h SER 71 CO 0.00 -0.29 0.46 0.11 -1.14 0.00 0.00 176.83 175.97 1f04 h LYS 72 N 0.02 0.72 0.00 3.45 1.79 -1.34 0.41 116.57 121.62 1f04 h LYS 72 Ca 0.47 -0.04 -0.00 0.00 -2.18 0.00 0.00 60.65 58.89 1f04 h LYS 72 Cb 0.80 -0.16 -0.00 0.00 -1.58 0.00 0.00 32.23 31.29 1f04 h LYS 72 CO -0.88 0.47 -0.01 1.15 -1.08 0.00 0.00 179.45 179.11 1f04 h THR 73 N 0.74 0.26 -0.02 -0.16 2.02 -0.06 -1.14 112.91 114.54 1f04 h THR 73 Ca 0.41 -0.06 0.00 0.00 0.77 0.00 0.00 66.41 67.53 1f04 h THR 73 Cb 0.44 1.04 0.00 0.00 -1.74 0.00 0.00 68.15 67.90 1f04 h THR 73 CO -0.28 0.01 -0.17 0.49 0.37 0.00 0.00 175.52 175.94 1f04 n PHE 74 N -3.44 0.00 -1.71 3.16 3.01 0.12 -4.98 117.46 113.62 1f04 n PHE 74 Ca -0.03 0.00 -0.43 0.00 1.01 0.00 0.00 57.45 58.00 1f04 n PHE 74 Cb 0.10 -0.01 -0.03 0.00 -0.01 0.00 0.00 39.48 39.52 1f04 n PHE 74 CO 0.00 0.00 0.00 1.51 1.01 0.00 0.00 176.76 179.28 1f04 n ILE 75 N 0.60 0.19 0.55 4.37 3.06 0.06 -3.51 119.36 124.69 1f04 n ILE 75 Ca 0.13 -0.05 0.06 0.00 -2.50 0.00 0.00 62.75 60.39 1f04 n ILE 75 Cb 0.51 -1.85 -0.04 0.00 0.54 0.00 0.00 39.64 38.80 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 3.47 0.00 -0.12 9.51 -5.35 -0.89 -4.95 119.36 121.03 1f04 n ILE 76 Ca 0.15 -0.29 0.00 0.00 -0.27 0.00 0.00 62.75 62.34 1f04 n ILE 76 Cb 0.33 1.06 0.00 0.00 -1.74 0.00 0.00 39.64 39.30 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 1.15 -0.13 3.39 3.28 0.00 -1.25 -4.67 105.19 106.96 1f04 n GLY 77 Ca 0.03 -1.03 -0.20 0.00 0.00 0.00 0.00 46.02 44.83 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 1.61 0.01 1.61 2.02 -0.65 -3.05 118.70 118.25 1f04 s GLU 78 Ca 0.00 -1.92 -0.28 0.00 0.02 0.00 0.00 54.97 52.80 1f04 s GLU 78 Cb 0.00 -0.42 -0.04 0.00 0.10 0.00 0.00 34.13 33.77 1f04 s GLU 78 CO 0.00 -0.35 0.89 -1.17 0.02 0.00 0.00 175.26 174.65 1f04 s LEU 79 N -3.42 4.39 0.23 1.80 2.96 0.03 -1.28 118.68 123.38 1f04 s LEU 79 Ca 0.34 1.55 -0.30 0.00 -0.22 0.00 0.00 54.13 55.50 1f04 s LEU 79 Cb 0.06 -3.42 -0.15 0.00 0.50 0.00 0.00 46.19 43.18 1f04 s LEU 79 CO 0.15 -0.17 0.95 1.57 -1.32 0.00 0.00 176.35 177.54 1f04 n HIS 80 N 3.58 0.88 0.34 5.38 -0.00 -0.26 -4.79 115.22 120.35 1f04 n HIS 80 Ca 0.03 0.77 0.11 0.00 -0.00 0.00 0.00 57.72 58.63 1f04 n HIS 80 Cb 0.51 -2.19 0.50 0.00 -0.00 0.00 0.00 29.99 28.80 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 1.10 0.17 0.18 1.57 -0.04 -1.26 -2.28 135.00 134.44 1f04 n PRO 81 Ca 0.13 0.47 0.04 0.00 -0.04 0.00 0.00 63.50 64.10 1f04 n PRO 81 Cb 0.28 -1.87 0.33 0.00 -0.04 0.00 0.00 33.50 32.19 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 -0.33 3.54 3.58 -1.98 -3.02 116.42 118.22 1f04 h ASP 82 Ca 0.00 0.00 -0.13 0.00 0.42 0.00 0.00 57.03 57.32 1f04 h ASP 82 Cb 0.27 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.31 1f04 h ASP 82 CO 0.00 0.42 -0.30 -0.78 -2.88 0.00 0.00 179.24 175.70 1f04 h ASP 83 N 0.00 0.83 0.00 2.28 1.82 -1.82 -3.52 116.42 116.01 1f04 h ASP 83 Ca -0.00 -0.46 0.00 0.00 -0.39 0.00 0.00 57.03 56.17 1f04 h ASP 83 Cb 0.87 -0.23 0.00 0.00 0.68 0.00 0.00 39.33 40.64 1f04 h ASP 83 CO 0.05 1.12 0.00 -1.14 -1.61 0.00 0.00 179.24 177.66