#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f04 s VAL 4 N 0.00 0.02 0.00 0.00 0.11 -1.26 -4.78 120.40 114.50 1f04 s VAL 4 Ca 0.00 -0.20 0.00 0.00 -2.93 0.00 0.00 61.98 58.85 1f04 s VAL 4 Cb 0.00 -1.01 0.00 0.00 -1.53 0.00 0.00 36.38 33.84 1f04 s VAL 4 CO 0.00 -0.11 0.00 0.29 -3.33 0.00 0.00 175.10 171.95 1f04 n LYS 5 N 0.13 0.00 -2.68 1.54 5.02 -1.26 -4.98 118.16 115.92 1f04 n LYS 5 Ca -0.18 0.00 -0.33 0.00 -2.02 0.00 0.00 58.31 55.78 1f04 n LYS 5 Cb 0.62 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 35.57 1f04 n LYS 5 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1f04 s TYR 6 N 0.00 3.21 -0.02 2.13 1.51 -1.26 -3.50 117.35 119.42 1f04 s TYR 6 Ca 0.00 1.59 0.04 0.00 -1.01 0.00 0.00 57.07 57.69 1f04 s TYR 6 Cb 0.00 -2.92 -0.01 0.00 -0.11 0.00 0.00 41.96 38.92 1f04 s TYR 6 CO 0.00 -0.39 -0.14 0.71 -1.11 0.00 0.00 175.55 174.62 1f04 s TYR 7 N -2.15 1.29 0.72 2.71 2.02 -0.08 -4.84 117.35 117.03 1f04 s TYR 7 Ca 0.64 -0.26 -0.11 0.00 -0.37 0.00 0.00 57.07 56.96 1f04 s TYR 7 Cb -0.12 -0.84 0.02 0.00 -0.40 0.00 0.00 41.96 40.63 1f04 s TYR 7 CO 0.17 -0.04 1.08 0.95 -1.57 0.00 0.00 175.55 176.14 1f04 s THR 8 N -0.26 3.65 0.21 -0.71 -4.23 -1.26 -0.47 115.64 112.57 1f04 s THR 8 Ca 0.04 0.54 -0.10 0.00 -1.18 0.00 0.00 61.69 60.99 1f04 s THR 8 Cb -0.06 -3.38 0.15 0.00 1.34 0.00 0.00 72.50 70.55 1f04 s THR 8 CO -0.00 -0.70 1.73 0.25 -0.54 0.00 0.00 174.62 175.36 1f04 h LEU 9 N -0.78 0.15 -0.06 4.79 6.46 -1.95 -1.03 115.31 122.90 1f04 h LEU 9 Ca -0.45 0.09 0.01 0.00 -0.12 0.00 0.00 57.88 57.41 1f04 h LEU 9 Cb 1.24 0.09 -0.03 0.00 -0.73 0.00 0.00 40.66 41.22 1f04 h LEU 9 CO 0.60 0.09 -0.26 -0.08 -0.62 0.00 0.00 178.44 178.17 1f04 h GLU 10 N 0.36 -0.27 -0.73 1.25 4.57 -1.93 0.29 114.58 118.11 1f04 h GLU 10 Ca 0.30 0.02 0.13 0.00 -1.18 0.00 0.00 59.36 58.64 1f04 h GLU 10 Cb 0.40 0.06 -0.14 0.00 -0.16 0.00 0.00 28.75 28.91 1f04 h GLU 10 CO -0.33 -0.18 -0.28 0.93 -1.18 0.00 0.00 179.01 177.97 1f04 h GLU 11 N -0.28 -0.06 -0.35 1.92 3.07 -1.83 -1.06 114.58 115.98 1f04 h GLU 11 Ca 0.01 0.00 -0.06 0.00 -0.50 0.00 0.00 59.36 58.82 1f04 h GLU 11 Cb 0.33 0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.24 1f04 h GLU 11 CO -0.21 -0.04 -0.03 0.82 -1.40 0.00 0.00 179.01 178.15 1f04 h ILE 12 N -0.07 1.27 -0.50 3.13 2.04 -0.93 -3.14 117.51 119.31 1f04 h ILE 12 Ca 0.31 -1.03 0.09 0.00 1.00 0.00 0.00 64.86 65.23 1f04 h ILE 12 Cb 0.57 1.24 -0.07 0.00 -0.74 0.00 0.00 36.82 37.81 1f04 h ILE 12 CO -0.78 0.34 0.07 1.56 0.00 0.00 0.00 178.15 179.35 1f04 h GLN 13 N 0.44 0.20 -0.67 2.37 1.08 0.80 0.25 115.11 119.57 1f04 h GLN 13 Ca 0.10 -0.01 0.19 0.00 -1.45 0.00 0.00 58.65 57.48 1f04 h GLN 13 Cb 0.50 -0.04 -0.03 0.00 -0.05 0.00 0.00 27.48 27.86 1f04 h GLN 13 CO 0.02 0.13 0.53 0.87 -0.95 0.00 0.00 178.83 179.44 1f04 h LYS 14 N 0.20 0.00 -2.63 1.46 1.57 -1.27 -2.25 116.57 113.66 1f04 h LYS 14 Ca 0.25 0.00 -0.72 0.00 -1.87 0.00 0.00 60.65 58.31 1f04 h LYS 14 Cb 0.35 0.00 -0.11 0.00 0.08 0.00 0.00 32.23 32.55 1f04 h LYS 14 CO -0.35 0.00 2.49 0.72 -0.57 0.00 0.00 179.45 181.75 1f04 n HIS 15 N -4.12 2.52 -3.11 -1.35 8.25 0.08 -4.05 115.22 113.43 1f04 n HIS 15 Ca 0.13 -2.81 -0.26 0.00 -0.26 0.00 0.00 57.72 54.52 1f04 n HIS 15 Cb 0.79 -1.90 -0.05 0.00 1.12 0.00 0.00 29.99 29.95 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 1.92 3.59 -2.07 0.41 2.04 -0.85 -0.82 115.26 119.48 1f04 n ASN 16 Ca 0.64 -3.48 -0.10 0.00 -0.44 0.00 0.00 54.58 51.20 1f04 n ASN 16 Cb 0.26 -0.60 0.04 0.00 -2.53 0.00 0.00 39.78 36.95 1f04 n ASN 16 CO 0.00 0.00 0.00 -3.20 -0.44 0.00 0.00 177.26 173.62 1f04 n ASN 17 N 0.21 -3.25 0.00 0.53 5.15 -0.87 -4.93 115.26 112.10 1f04 n ASN 17 Ca 0.29 -0.28 0.00 0.00 -0.60 0.00 0.00 54.58 54.00 1f04 n ASN 17 Cb 0.44 -2.71 0.00 0.00 -0.53 0.00 0.00 39.78 36.97 1f04 n ASN 17 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 1f04 n SER 18 N -1.25 0.00 -0.03 1.20 2.88 -1.26 -4.97 113.62 110.19 1f04 n SER 18 Ca -0.06 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.36 1f04 n SER 18 Cb 0.55 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.90 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 -0.03 0.00 -1.46 3.11 -1.92 -3.49 116.57 112.78 1f04 h LYS 19 Ca 0.00 0.00 -0.02 0.00 -2.81 0.00 0.00 60.65 57.82 1f04 h LYS 19 Cb 0.00 0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 31.23 1f04 h LYS 19 CO 0.00 0.64 -0.01 0.43 -2.81 0.00 0.00 179.45 177.70 1f04 n SER 20 N -4.77 -0.11 -3.96 4.20 7.64 -1.26 -5.08 113.62 110.28 1f04 n SER 20 Ca -0.09 -1.15 -0.30 0.00 1.01 0.00 0.00 58.87 58.34 1f04 n SER 20 Cb 0.34 0.21 -0.14 0.00 -1.01 0.00 0.00 64.21 63.61 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 -2.49 2.41 0.38 0.44 2.01 -1.25 -2.04 115.64 115.09 1f04 s THR 21 Ca 0.02 -2.95 0.08 0.00 0.31 0.00 0.00 61.69 59.15 1f04 s THR 21 Cb -0.00 -2.71 -0.02 0.00 0.01 0.00 0.00 72.50 69.78 1f04 s THR 21 CO 0.02 -0.74 0.35 0.26 -0.69 0.00 0.00 174.62 173.82 1f04 s TRP 22 N 0.15 2.80 0.04 4.92 0.52 0.00 -2.91 118.94 124.46 1f04 s TRP 22 Ca 0.15 -0.41 -0.28 0.00 0.02 0.00 0.00 56.10 55.58 1f04 s TRP 22 Cb -0.24 -2.03 0.09 0.00 -1.15 0.00 0.00 33.47 30.15 1f04 s TRP 22 CO -0.03 -0.01 1.05 -0.48 0.02 0.00 0.00 176.95 177.49 1f04 s LEU 23 N -4.09 -0.19 -0.26 2.99 0.05 -1.06 -0.34 118.68 115.79 1f04 s LEU 23 Ca 0.46 -0.20 -0.03 0.00 0.05 0.00 0.00 54.13 54.40 1f04 s LEU 23 Cb -0.05 1.87 0.02 0.00 -2.05 0.00 0.00 46.19 45.98 1f04 s LEU 23 CO 0.28 -0.63 -0.03 -0.63 -0.55 0.00 0.00 176.35 174.79 1f04 s ILE 24 N -2.96 3.09 -0.24 1.48 1.01 -1.26 -1.71 121.20 120.61 1f04 s ILE 24 Ca 0.11 -0.98 -0.01 0.00 0.00 0.00 0.00 60.65 59.77 1f04 s ILE 24 Cb 0.00 -2.58 0.03 0.00 0.01 0.00 0.00 42.46 39.92 1f04 s ILE 24 CO -0.03 0.16 -0.08 -0.76 0.00 0.00 0.00 174.94 174.24 1f04 s LEU 25 N 1.35 3.11 -1.33 2.97 1.02 -0.39 -2.13 118.68 123.27 1f04 s LEU 25 Ca 0.00 -0.90 -0.02 0.00 0.02 0.00 0.00 54.13 53.24 1f04 s LEU 25 Cb -0.17 -1.63 0.01 0.00 0.02 0.00 0.00 46.19 44.42 1f04 s LEU 25 CO -0.03 -0.12 0.73 1.41 0.02 0.00 0.00 176.35 178.36 1f04 n HIS 26 N 4.64 -1.96 -1.03 0.29 8.25 -1.26 -1.02 115.22 123.13 1f04 n HIS 26 Ca -0.17 0.85 -0.01 0.00 -0.26 0.00 0.00 57.72 58.13 1f04 n HIS 26 Cb 0.47 -4.35 -0.00 0.00 1.12 0.00 0.00 29.99 27.22 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 -4.32 0.00 -4.36 4.41 4.01 -1.26 -4.97 117.16 110.67 1f04 n TYR 27 Ca -0.26 0.00 -0.34 0.00 -0.16 0.00 0.00 57.90 57.14 1f04 n TYR 27 Cb 0.66 -1.90 -0.11 0.00 -0.31 0.00 0.00 39.34 37.68 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 -1.92 3.56 -0.10 -0.72 -0.14 -0.19 -0.45 119.74 119.77 1f04 s LYS 28 Ca 0.00 -0.48 -0.16 0.00 -1.36 0.00 0.00 55.97 53.97 1f04 s LYS 28 Cb 0.00 -2.92 -0.05 0.00 -1.68 0.00 0.00 37.83 33.19 1f04 s LYS 28 CO 0.00 0.34 0.41 0.08 -0.76 0.00 0.00 175.35 175.42 1f04 s VAL 29 N 0.10 5.19 -0.10 3.17 1.01 0.58 -1.26 120.40 129.08 1f04 s VAL 29 Ca 0.00 0.80 0.04 0.00 0.00 0.00 0.00 61.98 62.83 1f04 s VAL 29 Cb -0.13 -3.74 -0.00 0.00 0.00 0.00 0.00 36.38 32.51 1f04 s VAL 29 CO 0.02 0.40 -0.23 -0.31 0.00 0.00 0.00 175.10 174.98 1f04 s TYR 30 N 0.19 2.58 -0.33 5.22 2.02 -0.69 -1.74 117.35 124.59 1f04 s TYR 30 Ca 0.23 -1.05 -0.14 0.00 -0.37 0.00 0.00 57.07 55.74 1f04 s TYR 30 Cb -0.15 -1.72 -0.02 0.00 -0.40 0.00 0.00 41.96 39.67 1f04 s TYR 30 CO 0.09 -0.42 0.32 0.34 -1.57 0.00 0.00 175.55 174.30 1f04 s ASP 31 N 0.37 6.14 -0.15 2.29 -1.08 -0.79 -2.55 116.67 120.90 1f04 s ASP 31 Ca -0.18 -0.24 0.15 0.00 -0.52 0.00 0.00 52.55 51.76 1f04 s ASP 31 Cb -0.18 -2.18 0.33 0.00 -1.46 0.00 0.00 42.92 39.44 1f04 s ASP 31 CO 0.08 -0.28 1.17 0.18 0.52 0.00 0.00 175.17 176.84 1f04 n LEU 32 N 5.28 2.27 0.18 -1.34 4.77 -1.14 -4.77 117.00 122.25 1f04 n LEU 32 Ca -0.10 -3.24 0.03 0.00 -0.03 0.00 0.00 56.01 52.67 1f04 n LEU 32 Cb 0.50 -0.42 0.40 0.00 -2.33 0.00 0.00 43.42 41.57 1f04 n LEU 32 CO 0.39 0.96 0.81 0.00 -1.33 0.00 0.00 177.39 178.22 1f04 h THR 33 N 1.27 1.21 -0.39 -5.08 1.03 -1.92 0.21 112.91 109.24 1f04 h THR 33 Ca -0.01 -0.98 0.00 0.00 -0.01 0.00 0.00 66.41 65.41 1f04 h THR 33 Cb 1.08 1.47 0.00 0.00 -1.07 0.00 0.00 68.15 69.63 1f04 h THR 33 CO 0.01 0.29 0.00 1.17 -0.01 0.00 0.00 175.52 176.97 1f04 n LYS 34 N -4.20 3.60 -0.09 0.00 4.81 -1.26 -4.03 118.16 116.98 1f04 n LYS 34 Ca -0.02 -2.12 0.02 0.00 -0.87 0.00 0.00 58.31 55.32 1f04 n LYS 34 Cb 0.33 -2.00 0.02 0.00 0.02 0.00 0.00 35.03 33.40 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 0.44 0.00 0.36 5.64 7.35 0.73 -4.84 117.46 127.14 1f04 n PHE 35 Ca 0.19 -0.33 -0.14 0.00 -0.76 0.00 0.00 57.45 56.41 1f04 n PHE 35 Cb 0.88 -0.05 -0.07 0.00 0.35 0.00 0.00 39.48 40.59 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 -0.80 -1.29 -2.13 3.38 -1.64 0.32 115.31 113.15 1f04 h LEU 36 Ca 0.00 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 1f04 h LEU 36 Cb 0.89 0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.83 1f04 h LEU 36 CO 0.00 -0.43 0.21 1.05 0.09 0.00 0.00 178.44 179.36 1f04 h GLU 37 N -1.23 0.69 -0.25 1.13 4.11 -1.91 -3.14 114.58 113.99 1f04 h GLU 37 Ca -0.10 -0.09 -0.19 0.00 0.07 0.00 0.00 59.36 59.05 1f04 h GLU 37 Cb 0.72 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.84 1f04 h GLU 37 CO 0.16 0.56 -0.59 0.93 0.07 0.00 0.00 179.01 180.14 1f04 h GLU 38 N 0.69 0.82 -6.16 1.06 5.08 -1.86 -3.44 114.58 110.77 1f04 h GLU 38 Ca 0.17 -0.54 -0.57 0.00 -1.00 0.00 0.00 59.36 57.42 1f04 h GLU 38 Cb 0.12 0.07 0.01 0.00 0.50 0.00 0.00 28.75 29.45 1f04 h GLU 38 CO -0.02 1.17 1.37 1.58 -1.00 0.00 0.00 179.01 182.11 1f04 n HIS 39 N -3.99 2.21 -1.49 4.33 -0.00 0.11 -4.88 115.22 111.52 1f04 n HIS 39 Ca -0.05 -0.23 -0.40 0.00 0.46 0.00 0.00 57.72 57.50 1f04 n HIS 39 Cb 0.65 -2.76 -0.02 0.00 -0.12 0.00 0.00 29.99 27.74 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 8.14 2.83 -1.82 1.57 -0.04 -1.26 -3.89 135.00 140.54 1f04 n PRO 40 Ca 0.26 -2.34 -0.01 0.00 -0.04 0.00 0.00 63.50 61.37 1f04 n PRO 40 Cb 0.42 -3.07 0.00 0.00 -0.04 0.00 0.00 33.50 30.81 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 4.01 -0.82 1.05 0.55 0.00 -1.26 -5.12 105.19 103.60 1f04 n GLY 41 Ca 0.58 -0.01 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 -0.20 -3.01 0.15 -0.02 0.00 -1.25 -4.49 105.19 96.37 1f04 n GLY 42 Ca -0.08 -0.56 -0.09 0.00 0.00 0.00 0.00 46.02 45.30 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 0.23 0.44 -0.26 1.61 9.09 -1.81 -0.92 114.58 122.96 1f04 h GLU 43 Ca 0.00 -0.04 0.05 0.00 0.05 0.00 0.00 59.36 59.42 1f04 h GLU 43 Cb 0.00 -0.09 -0.05 0.00 -1.65 0.00 0.00 28.75 26.96 1f04 h GLU 43 CO 0.00 0.33 -0.04 0.00 0.05 0.00 0.00 179.01 179.35 1f04 h ALA 44 N 1.08 0.20 0.13 1.06 0.00 -1.91 0.19 119.26 120.01 1f04 h ALA 44 Ca 0.12 0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.13 1f04 h ALA 44 Cb 0.01 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1f04 h ALA 44 CO -0.02 -0.45 -0.17 0.28 0.00 0.00 0.00 179.25 178.89 1f04 h VAL 45 N 0.03 0.61 -0.99 0.00 2.07 -1.79 0.20 116.25 116.39 1f04 h VAL 45 Ca 0.12 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.76 1f04 h VAL 45 Cb 0.18 0.61 -0.08 0.00 -1.52 0.00 0.00 31.29 30.48 1f04 h VAL 45 CO -0.24 0.00 0.62 -0.07 0.02 0.00 0.00 177.57 177.89 1f04 h LEU 46 N -0.35 0.90 -0.23 2.57 3.38 -0.76 -1.21 115.31 119.62 1f04 h LEU 46 Ca 0.01 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 1f04 h LEU 46 Cb 0.35 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 1f04 h LEU 46 CO -0.07 0.49 0.09 0.03 0.09 0.00 0.00 178.44 179.07 1f04 h ARG 47 N 0.98 0.34 -0.81 1.13 -0.00 0.26 -0.98 114.38 115.31 1f04 h ARG 47 Ca 0.48 -0.06 0.05 0.00 -0.50 0.00 0.00 59.98 59.95 1f04 h ARG 47 Cb 0.46 -0.06 -0.06 0.00 0.00 0.00 0.00 29.97 30.32 1f04 h ARG 47 CO -0.26 0.39 0.50 0.00 0.00 0.00 0.00 179.97 180.61 1f04 h ALA 48 N 0.93 1.09 -0.00 0.04 0.00 0.14 -0.92 119.26 120.54 1f04 h ALA 48 Ca 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1f04 h ALA 48 Cb 0.18 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1f04 h ALA 48 CO -0.01 0.27 -0.00 1.04 0.00 0.00 0.00 179.25 180.55 1f04 n GLN 49 N -4.63 0.03 -1.75 0.00 3.00 -0.53 -4.90 117.38 108.60 1f04 n GLN 49 Ca 0.11 -0.00 -0.38 0.00 -0.01 0.00 0.00 57.00 56.71 1f04 n GLN 49 Cb 0.14 -1.50 0.05 0.00 0.00 0.00 0.00 30.24 28.93 1f04 n GLN 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1f04 s ALA 50 N -2.97 2.74 0.00 -1.58 0.00 -0.35 -3.90 121.76 115.69 1f04 s ALA 50 Ca 0.15 1.34 0.00 0.00 0.00 0.00 0.00 51.96 53.45 1f04 s ALA 50 Cb 0.19 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 19.73 1f04 s ALA 50 CO 0.53 -1.46 0.00 0.41 0.00 0.00 0.00 175.76 175.24 1f04 n GLY 51 N 0.77 1.84 0.00 0.00 0.00 0.54 -4.78 105.19 103.56 1f04 n GLY 51 Ca 0.11 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.50 0.00 -0.02 0.00 -1.25 -2.08 105.19 101.34 1f04 n GLY 52 Ca 0.00 -1.03 0.00 0.00 0.00 0.00 0.00 46.02 44.99 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 0.00 -0.07 1.61 2.03 -1.26 -4.08 116.55 114.78 1f04 n ASP 53 Ca 0.00 0.00 0.07 0.00 0.52 0.00 0.00 54.79 55.38 1f04 n ASP 53 Cb 0.00 0.00 0.09 0.00 -0.72 0.00 0.00 41.12 40.49 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 0.00 2.16 0.17 -1.67 0.00 -0.91 -4.79 120.51 115.46 1f04 n ALA 54 Ca 0.00 -2.09 -0.14 0.00 0.00 0.00 0.00 53.44 51.22 1f04 n ALA 54 Cb 0.00 -0.28 -0.08 0.00 0.00 0.00 0.00 19.45 19.09 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 0.40 0.73 -0.16 0.00 2.02 -1.79 0.15 112.91 114.26 1f04 h THR 55 Ca 0.00 -0.40 0.04 0.00 0.77 0.00 0.00 66.41 66.82 1f04 h THR 55 Cb 0.89 0.94 -0.04 0.00 -1.74 0.00 0.00 68.15 68.20 1f04 h THR 55 CO 0.00 0.08 -0.11 0.00 0.37 0.00 0.00 175.52 175.86 1f04 h ALA 56 N -0.01 0.02 -0.17 6.16 0.00 -1.90 -0.17 119.26 123.19 1f04 h ALA 56 Ca -0.04 0.06 0.03 0.00 0.00 0.00 0.00 54.91 54.96 1f04 h ALA 56 Cb 0.45 0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 1f04 h ALA 56 CO 0.07 -0.55 -0.01 -0.91 0.00 0.00 0.00 179.25 177.85 1f04 h ASN 57 N -0.11 -0.09 0.15 0.00 2.35 -1.86 0.21 115.58 116.23 1f04 h ASN 57 Ca 0.10 0.04 0.02 0.00 -0.55 0.00 0.00 56.30 55.90 1f04 h ASN 57 Cb 0.25 0.08 -0.04 0.00 0.05 0.00 0.00 38.32 38.66 1f04 h ASN 57 CO -0.23 -0.02 -0.32 0.15 -1.65 0.00 0.00 177.43 175.37 1f04 h PHE 58 N 0.04 -0.86 -0.80 1.19 3.57 -0.39 -2.79 116.94 116.91 1f04 h PHE 58 Ca 0.08 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.61 1f04 h PHE 58 Cb 0.10 0.36 -0.04 0.00 2.79 0.00 0.00 35.95 39.16 1f04 h PHE 58 CO -0.17 -0.43 0.53 0.93 -2.23 0.00 0.00 178.31 176.94 1f04 h GLU 59 N -0.56 1.04 -0.66 1.11 4.39 -0.73 -2.07 114.58 117.10 1f04 h GLU 59 Ca 0.02 -0.06 0.12 0.00 0.34 0.00 0.00 59.36 59.78 1f04 h GLU 59 Cb 0.57 -0.24 -0.04 0.00 -0.10 0.00 0.00 28.75 28.95 1f04 h GLU 59 CO -0.17 0.69 0.44 0.00 -1.16 0.00 0.00 179.01 178.82 1f04 h ALA 60 N 1.50 2.04 0.00 3.43 0.00 -0.33 0.20 119.26 126.11 1f04 h ALA 60 Ca 0.29 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1f04 h ALA 60 Cb -0.11 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.60 1f04 h ALA 60 CO -0.07 -0.20 0.00 0.28 0.00 0.00 0.00 179.25 179.26 1f04 n VAL 61 N -4.47 0.35 0.00 0.00 0.31 -0.78 -4.96 118.33 108.77 1f04 n VAL 61 Ca 0.12 -0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.40 1f04 n VAL 61 Cb 0.43 -0.62 0.00 0.00 -0.91 0.00 0.00 33.84 32.73 1f04 n VAL 61 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1f04 n GLY 62 N 1.18 2.06 2.22 2.92 0.00 0.70 -4.89 105.19 109.38 1f04 n GLY 62 Ca 0.06 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.82 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 -4.40 -0.53 1.61 -0.00 -1.26 -4.79 115.22 105.84 1f04 n HIS 63 Ca 0.00 2.62 -0.29 0.00 -0.00 0.00 0.00 57.72 60.05 1f04 n HIS 63 Cb 0.00 -3.68 0.23 0.00 -0.00 0.00 0.00 29.99 26.54 1f04 n HIS 63 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.34 176.77 1f04 n SER 64 N 1.67 -1.14 -0.26 0.41 7.64 -1.26 -4.59 113.62 116.09 1f04 n SER 64 Ca 0.00 0.01 -0.13 0.00 1.01 0.00 0.00 58.87 59.76 1f04 n SER 64 Cb 0.00 -1.32 -0.10 0.00 -1.01 0.00 0.00 64.21 61.78 1f04 n SER 64 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 1f04 h THR 65 N -2.46 0.00 -0.74 0.44 1.35 -1.97 0.20 112.91 109.73 1f04 h THR 65 Ca -0.56 0.00 0.17 0.00 -0.55 0.00 0.00 66.41 65.46 1f04 h THR 65 Cb 1.31 0.00 -0.12 0.00 -1.73 0.00 0.00 68.15 67.62 1f04 h THR 65 CO 0.47 0.00 0.11 0.44 -0.25 0.00 0.00 175.52 176.28 1f04 h ASP 66 N -0.23 -0.14 -0.07 5.36 5.19 -1.98 0.31 116.42 124.86 1f04 h ASP 66 Ca 0.11 0.17 -0.00 0.00 -0.62 0.00 0.00 57.03 56.69 1f04 h ASP 66 Cb 0.52 0.26 -0.00 0.00 0.18 0.00 0.00 39.33 40.28 1f04 h ASP 66 CO -0.74 -0.10 0.04 0.00 -3.12 0.00 0.00 179.24 175.31 1f04 h ALA 67 N 1.65 0.09 0.00 3.45 0.00 -1.50 0.28 119.26 123.22 1f04 h ALA 67 Ca 0.41 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.29 1f04 h ALA 67 Cb 0.73 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1f04 h ALA 67 CO -0.57 -0.39 0.00 2.89 0.00 0.00 0.00 179.25 181.18 1f04 n ARG 68 N -5.01 0.01 -0.07 0.00 -4.01 0.07 -0.83 116.66 106.82 1f04 n ARG 68 Ca -0.06 0.12 -0.11 0.00 -1.04 0.00 0.00 57.85 56.76 1f04 n ARG 68 Cb 0.06 -1.52 -0.07 0.00 -3.04 0.00 0.00 32.46 27.88 1f04 n ARG 68 CO 0.00 0.00 0.00 0.93 -3.04 0.00 0.00 177.63 175.52 1f04 h GLU 69 N 0.00 0.00 -0.57 2.89 4.39 -0.38 -3.40 114.58 117.50 1f04 h GLU 69 Ca 0.00 0.00 0.09 0.00 0.34 0.00 0.00 59.36 59.79 1f04 h GLU 69 Cb 0.40 0.00 -0.11 0.00 -0.10 0.00 0.00 28.75 28.95 1f04 h GLU 69 CO 0.00 0.58 -0.42 1.25 -1.16 0.00 0.00 179.01 179.26 1f04 h LEU 70 N -1.00 -1.44 -0.52 1.33 5.85 -0.00 0.13 115.31 119.65 1f04 h LEU 70 Ca -0.09 0.24 0.12 0.00 0.84 0.00 0.00 57.88 58.99 1f04 h LEU 70 Cb 0.76 0.66 -0.10 0.00 0.37 0.00 0.00 40.66 42.35 1f04 h LEU 70 CO -0.06 -0.33 -0.08 -1.54 -0.34 0.00 0.00 178.44 176.09 1f04 n SER 71 N -5.41 -0.14 -0.16 1.25 3.41 -0.01 -0.09 113.62 112.46 1f04 n SER 71 Ca 0.02 0.90 0.08 0.00 -0.26 0.00 0.00 58.87 59.61 1f04 n SER 71 Cb 0.35 -0.29 0.40 0.00 -0.26 0.00 0.00 64.21 64.40 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 0.64 0.00 4.33 1.57 -0.94 0.17 116.57 122.33 1f04 h LYS 72 Ca 0.28 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 59.02 1f04 h LYS 72 Cb 0.48 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.65 1f04 h LYS 72 CO -0.52 0.42 0.00 1.15 -0.57 0.00 0.00 179.45 179.93 1f04 h THR 73 N 0.65 0.00 -0.11 -0.16 2.02 -0.61 -0.85 112.91 113.86 1f04 h THR 73 Ca 0.31 -0.12 0.00 0.00 0.77 0.00 0.00 66.41 67.37 1f04 h THR 73 Cb 0.37 0.97 0.00 0.00 -1.74 0.00 0.00 68.15 67.75 1f04 h THR 73 CO -0.11 0.00 0.00 0.49 0.37 0.00 0.00 175.52 176.27 1f04 n PHE 74 N -2.80 0.13 -2.10 3.16 3.72 0.53 -4.97 117.46 115.13 1f04 n PHE 74 Ca -0.01 -0.12 -0.42 0.00 -0.05 0.00 0.00 57.45 56.85 1f04 n PHE 74 Cb 0.12 -0.01 -0.03 0.00 -0.94 0.00 0.00 39.48 38.63 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 -1.10 3.43 -0.03 4.37 -1.16 -0.32 -1.89 121.20 124.49 1f04 s ILE 75 Ca 0.19 0.84 0.14 0.00 -0.51 0.00 0.00 60.65 61.31 1f04 s ILE 75 Cb 0.12 -3.54 -0.22 0.00 0.61 0.00 0.00 42.46 39.43 1f04 s ILE 75 CO 0.18 -0.00 0.28 2.30 -2.81 0.00 0.00 174.94 174.89 1f04 n ILE 76 N 4.69 0.12 -3.98 2.00 -5.35 -0.71 -4.91 119.36 111.22 1f04 n ILE 76 Ca 0.14 -0.36 0.00 0.00 -0.27 0.00 0.00 62.75 62.26 1f04 n ILE 76 Cb 0.42 0.06 0.00 0.00 -1.74 0.00 0.00 39.64 38.38 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 1.74 -1.28 3.47 3.28 0.00 -1.23 -4.24 105.19 106.93 1f04 n GLY 77 Ca -0.05 -1.21 -0.23 0.00 0.00 0.00 0.00 46.02 44.52 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 -1.97 1.66 0.22 1.61 2.02 -1.23 -0.31 118.70 120.71 1f04 s GLU 78 Ca 0.00 -1.82 -0.30 0.00 0.02 0.00 0.00 54.97 52.87 1f04 s GLU 78 Cb 0.00 -1.51 -0.10 0.00 0.10 0.00 0.00 34.13 32.63 1f04 s GLU 78 CO 0.00 0.16 1.40 -1.17 0.02 0.00 0.00 175.26 175.68 1f04 s LEU 79 N -3.51 4.39 0.23 1.80 2.96 0.40 -0.90 118.68 124.05 1f04 s LEU 79 Ca 0.30 2.56 -0.32 0.00 -0.22 0.00 0.00 54.13 56.45 1f04 s LEU 79 Cb 0.01 -3.61 -0.13 0.00 0.50 0.00 0.00 46.19 42.95 1f04 s LEU 79 CO 0.14 -0.65 1.45 1.57 -1.32 0.00 0.00 176.35 177.53 1f04 n HIS 80 N 2.64 2.21 0.22 5.38 -0.00 0.37 -4.75 115.22 121.29 1f04 n HIS 80 Ca 0.07 0.40 0.03 0.00 -0.00 0.00 0.00 57.72 58.22 1f04 n HIS 80 Cb 0.41 -2.48 0.13 0.00 -0.00 0.00 0.00 29.99 28.05 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 2.29 0.03 -0.01 1.57 -0.04 -1.26 -1.79 135.00 135.79 1f04 n PRO 81 Ca 0.12 0.34 -0.08 0.00 -0.04 0.00 0.00 63.50 63.85 1f04 n PRO 81 Cb 0.31 -1.50 0.09 0.00 -0.04 0.00 0.00 33.50 32.36 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 0.61 -0.41 3.54 3.58 -1.98 -3.20 116.42 118.57 1f04 h ASP 82 Ca 0.00 -0.28 -0.11 0.00 0.42 0.00 0.00 57.03 57.06 1f04 h ASP 82 Cb 0.08 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 40.95 1f04 h ASP 82 CO 0.00 0.96 -0.17 -0.78 -2.88 0.00 0.00 179.24 176.37 1f04 h ASP 83 N 0.46 0.86 0.00 2.28 1.82 -1.72 -3.53 116.42 116.59 1f04 h ASP 83 Ca 0.03 -0.40 0.00 0.00 -0.39 0.00 0.00 57.03 56.28 1f04 h ASP 83 Cb 0.95 -0.24 0.00 0.00 0.68 0.00 0.00 39.33 40.72 1f04 h ASP 83 CO 0.08 1.06 0.00 -1.14 -1.61 0.00 0.00 179.24 177.63