#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 3.69 -3.52 0.00 3.14 -1.26 -5.02 118.33 115.35 1f04 n VAL 4 Ca 0.00 -0.50 -0.28 0.00 -2.96 0.00 0.00 64.34 60.60 1f04 n VAL 4 Cb 0.00 -1.23 -0.14 0.00 -1.06 0.00 0.00 33.84 31.40 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 -2.75 0.23 0.98 1.45 2.20 -1.26 -5.14 119.74 115.45 1f04 s LYS 5 Ca 0.75 -0.54 -0.11 0.00 -0.36 0.00 0.00 55.97 55.71 1f04 s LYS 5 Cb -0.43 -1.12 0.18 0.00 -1.51 0.00 0.00 37.83 34.96 1f04 s LYS 5 CO 0.48 -1.03 1.12 0.71 -0.36 0.00 0.00 175.35 176.26 1f04 s TYR 6 N 2.06 1.52 -0.04 4.03 2.02 -1.26 -4.70 117.35 120.98 1f04 s TYR 6 Ca 0.10 1.66 0.06 0.00 -0.37 0.00 0.00 57.07 58.52 1f04 s TYR 6 Cb -0.16 -3.29 -0.01 0.00 -0.40 0.00 0.00 41.96 38.10 1f04 s TYR 6 CO -0.34 -3.11 -0.24 0.71 -1.57 0.00 0.00 175.55 171.01 1f04 s TYR 7 N -2.59 2.23 0.63 2.71 2.02 -0.59 -4.75 117.35 117.00 1f04 s TYR 7 Ca 0.67 -0.57 -0.14 0.00 -0.37 0.00 0.00 57.07 56.66 1f04 s TYR 7 Cb -0.23 -1.46 -0.02 0.00 -0.40 0.00 0.00 41.96 39.85 1f04 s TYR 7 CO 0.60 -0.14 1.06 0.95 -1.57 0.00 0.00 175.55 176.45 1f04 s THR 8 N -0.28 3.82 0.32 -0.71 -4.23 -1.26 -0.82 115.64 112.48 1f04 s THR 8 Ca 0.01 0.78 0.08 0.00 -1.18 0.00 0.00 61.69 61.39 1f04 s THR 8 Cb -0.12 -3.35 0.31 0.00 1.34 0.00 0.00 72.50 70.68 1f04 s THR 8 CO 0.02 -0.58 1.78 0.25 -0.54 0.00 0.00 174.62 175.55 1f04 h LEU 9 N 0.10 0.72 0.86 4.79 6.46 -1.98 -0.36 115.31 125.90 1f04 h LEU 9 Ca -0.46 0.10 -0.04 0.00 -0.12 0.00 0.00 57.88 57.35 1f04 h LEU 9 Cb 1.22 -0.03 0.00 0.00 -0.73 0.00 0.00 40.66 41.12 1f04 h LEU 9 CO 0.57 0.24 -0.47 -0.08 -0.62 0.00 0.00 178.44 178.08 1f04 h GLU 10 N 0.69 -1.18 -0.61 1.25 4.57 -1.98 0.35 114.58 117.68 1f04 h GLU 10 Ca 0.58 0.08 0.13 0.00 -1.18 0.00 0.00 59.36 58.96 1f04 h GLU 10 Cb 1.00 0.27 -0.10 0.00 -0.16 0.00 0.00 28.75 29.75 1f04 h GLU 10 CO -0.37 -0.79 -0.01 0.93 -1.18 0.00 0.00 179.01 177.60 1f04 h GLU 11 N -1.23 0.11 -0.18 1.92 3.07 -1.72 0.66 114.58 117.21 1f04 h GLU 11 Ca -0.12 -0.01 -0.01 0.00 -0.50 0.00 0.00 59.36 58.73 1f04 h GLU 11 Cb 0.96 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.84 1f04 h GLU 11 CO 0.16 0.07 0.08 0.82 -1.40 0.00 0.00 179.01 178.74 1f04 h ILE 12 N 0.11 1.14 -0.82 3.13 2.04 -1.01 -2.87 117.51 119.23 1f04 h ILE 12 Ca 0.31 -0.43 0.16 0.00 1.00 0.00 0.00 64.86 65.90 1f04 h ILE 12 Cb 0.50 1.09 -0.10 0.00 -0.74 0.00 0.00 36.82 37.57 1f04 h ILE 12 CO -0.52 0.14 0.38 1.56 0.00 0.00 0.00 178.15 179.70 1f04 h GLN 13 N 0.16 0.51 -0.72 2.37 1.08 0.14 0.42 115.11 119.06 1f04 h GLN 13 Ca 0.06 -0.03 0.21 0.00 -1.45 0.00 0.00 58.65 57.44 1f04 h GLN 13 Cb 0.14 -0.11 -0.03 0.00 -0.05 0.00 0.00 27.48 27.43 1f04 h GLN 13 CO -0.01 0.33 0.57 0.87 -0.95 0.00 0.00 178.83 179.65 1f04 h LYS 14 N 0.52 0.00 -3.88 1.46 1.79 -0.71 -3.04 116.57 112.72 1f04 h LYS 14 Ca 0.46 0.00 -0.76 0.00 -2.18 0.00 0.00 60.65 58.17 1f04 h LYS 14 Cb 0.70 0.00 -0.19 0.00 -1.58 0.00 0.00 32.23 31.16 1f04 h LYS 14 CO -0.40 0.00 1.47 0.72 -1.08 0.00 0.00 179.45 180.16 1f04 n HIS 15 N -4.08 3.82 -2.46 -1.35 8.25 0.14 -4.60 115.22 114.93 1f04 n HIS 15 Ca 0.14 -3.08 0.03 0.00 -0.26 0.00 0.00 57.72 54.56 1f04 n HIS 15 Cb 0.84 -1.92 0.02 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 4.04 0.88 -3.65 0.41 0.23 -1.00 -3.01 115.26 113.16 1f04 n ASN 16 Ca 0.35 -2.00 -0.00 0.00 -0.53 0.00 0.00 54.58 52.40 1f04 n ASN 16 Cb 0.38 -0.27 -0.01 0.00 -2.08 0.00 0.00 39.78 37.81 1f04 n ASN 16 CO 0.00 0.00 0.00 0.20 -0.93 0.00 0.00 177.26 176.53 1f04 s ASN 17 N -1.93 -0.09 0.00 0.53 0.01 -1.20 -4.96 114.94 107.30 1f04 s ASN 17 Ca 0.32 -0.20 0.00 0.00 -0.71 0.00 0.00 52.86 52.27 1f04 s ASN 17 Cb 0.36 0.24 0.00 0.00 0.41 0.00 0.00 41.25 42.27 1f04 s ASN 17 CO -0.16 -0.45 0.00 -1.20 -1.51 0.00 0.00 177.10 173.78 1f04 n SER 18 N -0.47 0.00 0.00 -1.22 7.64 -1.26 -2.53 113.62 115.78 1f04 n SER 18 Ca -0.08 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.80 1f04 n SER 18 Cb 0.62 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.82 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 0.00 0.00 -1.52 1.43 5.02 -1.26 -5.09 118.16 116.75 1f04 n LYS 19 Ca 0.00 0.00 -0.39 0.00 -2.02 0.00 0.00 58.31 55.90 1f04 n LYS 19 Cb 0.00 -0.02 -0.11 0.00 -0.02 0.00 0.00 35.03 34.87 1f04 n LYS 19 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1f04 n SER 20 N -1.92 0.89 -3.92 4.39 3.41 -1.05 -4.62 113.62 110.80 1f04 n SER 20 Ca 0.00 -0.05 -0.30 0.00 -0.26 0.00 0.00 58.87 58.26 1f04 n SER 20 Cb 0.00 -1.12 -0.14 0.00 -0.26 0.00 0.00 64.21 62.69 1f04 n SER 20 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1f04 s THR 21 N 9.92 2.38 0.56 6.66 2.01 -1.26 -2.39 115.64 133.54 1f04 s THR 21 Ca 1.24 -3.15 0.08 0.00 0.31 0.00 0.00 61.69 60.18 1f04 s THR 21 Cb -0.92 -2.66 0.07 0.00 0.01 0.00 0.00 72.50 68.99 1f04 s THR 21 CO 0.42 -0.80 0.67 0.26 -0.69 0.00 0.00 174.62 174.47 1f04 s TRP 22 N -0.13 1.48 0.00 4.92 0.52 -1.17 -2.51 118.94 122.04 1f04 s TRP 22 Ca 0.17 -0.76 0.00 0.00 0.02 0.00 0.00 56.10 55.52 1f04 s TRP 22 Cb -0.25 -2.11 0.00 0.00 -1.15 0.00 0.00 33.47 29.95 1f04 s TRP 22 CO -0.01 -0.93 0.00 1.47 0.02 0.00 0.00 176.95 177.50 1f04 n LEU 23 N -2.09 0.00 -4.16 2.99 -0.00 -1.25 -0.11 117.00 112.39 1f04 n LEU 23 Ca 0.10 0.00 -0.34 0.00 -0.00 0.00 0.00 56.01 55.77 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 -0.46 -0.63 -0.00 0.00 0.00 177.39 176.70 1f04 s ILE 24 N -2.00 2.50 -0.31 1.47 1.01 0.23 -3.13 121.20 120.97 1f04 s ILE 24 Ca 0.00 -1.05 0.03 0.00 0.00 0.00 0.00 60.65 59.64 1f04 s ILE 24 Cb 0.00 -2.21 0.08 0.00 0.01 0.00 0.00 42.46 40.34 1f04 s ILE 24 CO 0.00 0.31 -0.02 -0.76 0.00 0.00 0.00 174.94 174.47 1f04 s LEU 25 N 1.29 4.19 -1.32 2.97 1.02 -0.29 -1.80 118.68 124.73 1f04 s LEU 25 Ca 0.01 -1.82 -0.04 0.00 0.02 0.00 0.00 54.13 52.30 1f04 s LEU 25 Cb -0.16 -1.60 0.02 0.00 0.02 0.00 0.00 46.19 44.47 1f04 s LEU 25 CO -0.08 -0.30 0.95 1.41 0.02 0.00 0.00 176.35 178.36 1f04 n HIS 26 N 4.33 -2.28 -1.07 0.29 8.25 -1.26 -1.32 115.22 122.16 1f04 n HIS 26 Ca -0.04 0.92 -0.02 0.00 -0.26 0.00 0.00 57.72 58.32 1f04 n HIS 26 Cb 0.42 -4.68 -0.01 0.00 1.12 0.00 0.00 29.99 26.84 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 -4.46 0.00 -4.54 4.41 4.01 -1.26 -5.00 117.16 110.32 1f04 n TYR 27 Ca -0.17 0.00 -0.33 0.00 -0.16 0.00 0.00 57.90 57.24 1f04 n TYR 27 Cb 0.62 -1.23 -0.15 0.00 -0.31 0.00 0.00 39.34 38.27 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 -1.44 3.23 -0.01 -0.72 1.02 -0.43 -0.37 119.74 121.01 1f04 s LYS 28 Ca 0.00 -0.74 -0.22 0.00 0.02 0.00 0.00 55.97 55.03 1f04 s LYS 28 Cb 0.00 -2.63 -0.05 0.00 -0.52 0.00 0.00 37.83 34.63 1f04 s LYS 28 CO 0.00 0.03 0.65 0.08 -0.92 0.00 0.00 175.35 175.19 1f04 s VAL 29 N 0.79 4.90 -0.13 3.17 1.01 -1.18 -1.14 120.40 127.82 1f04 s VAL 29 Ca -0.06 1.37 -0.00 0.00 0.00 0.00 0.00 61.98 63.29 1f04 s VAL 29 Cb -0.15 -3.99 0.02 0.00 0.00 0.00 0.00 36.38 32.26 1f04 s VAL 29 CO 0.00 0.37 -0.11 -0.31 0.00 0.00 0.00 175.10 175.05 1f04 s TYR 30 N 0.08 1.81 -0.46 5.22 2.02 -1.18 -1.71 117.35 123.12 1f04 s TYR 30 Ca 0.34 -0.97 -0.25 0.00 -0.37 0.00 0.00 57.07 55.82 1f04 s TYR 30 Cb -0.19 -1.41 0.03 0.00 -0.40 0.00 0.00 41.96 40.00 1f04 s TYR 30 CO 0.18 -0.59 0.89 0.34 -1.57 0.00 0.00 175.55 174.81 1f04 s ASP 31 N 1.60 6.47 -0.19 2.29 2.15 -1.16 -3.82 116.67 124.01 1f04 s ASP 31 Ca 0.05 0.03 0.15 0.00 0.43 0.00 0.00 52.55 53.21 1f04 s ASP 31 Cb -0.13 -2.43 0.42 0.00 -0.30 0.00 0.00 42.92 40.48 1f04 s ASP 31 CO -0.09 -1.03 1.30 0.18 -0.17 0.00 0.00 175.17 175.36 1f04 n LEU 32 N 7.07 3.18 -0.30 -1.34 4.77 -1.05 -4.80 117.00 124.54 1f04 n LEU 32 Ca 0.05 -3.35 -0.01 0.00 -0.03 0.00 0.00 56.01 52.66 1f04 n LEU 32 Cb 0.48 -0.52 0.11 0.00 -2.33 0.00 0.00 43.42 41.17 1f04 n LEU 32 CO 0.63 0.93 1.20 0.00 -1.33 0.00 0.00 177.39 178.82 1f04 h THR 33 N 0.86 1.11 -0.83 -5.08 1.03 -1.81 0.19 112.91 108.38 1f04 h THR 33 Ca 0.05 -0.35 -0.52 0.00 -0.01 0.00 0.00 66.41 65.57 1f04 h THR 33 Cb 1.25 -0.00 -0.25 0.00 -1.07 0.00 0.00 68.15 68.09 1f04 h THR 33 CO 0.14 0.19 0.67 0.29 -0.01 0.00 0.00 175.52 176.80 1f04 n LYS 34 N -4.58 2.28 -0.12 0.00 5.02 -1.26 -3.77 118.16 115.73 1f04 n LYS 34 Ca 0.11 -2.66 0.00 0.00 -2.02 0.00 0.00 58.31 53.74 1f04 n LYS 34 Cb 0.11 -2.04 0.00 0.00 -0.02 0.00 0.00 35.03 33.08 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 -0.64 0.00 0.27 2.13 7.35 0.65 -4.87 117.46 122.34 1f04 n PHE 35 Ca 0.52 0.00 -0.11 0.00 -0.76 0.00 0.00 57.45 57.10 1f04 n PHE 35 Cb 0.92 -0.01 -0.05 0.00 0.35 0.00 0.00 39.48 40.69 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 -0.58 -1.32 -2.13 3.38 -1.57 0.34 115.31 113.43 1f04 h LEU 36 Ca 0.00 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 1f04 h LEU 36 Cb 1.09 0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.97 1f04 h LEU 36 CO 0.00 -0.37 0.35 -0.08 0.09 0.00 0.00 178.44 178.43 1f04 h GLU 37 N -0.80 0.81 -0.35 1.13 4.81 -1.91 -2.76 114.58 115.51 1f04 h GLU 37 Ca -0.07 -0.07 -0.07 0.00 -0.13 0.00 0.00 59.36 59.02 1f04 h GLU 37 Cb 0.53 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.73 1f04 h GLU 37 CO 0.12 0.58 -0.06 0.93 -0.73 0.00 0.00 179.01 179.84 1f04 h GLU 38 N 0.83 0.66 -6.34 1.92 5.08 -1.88 -3.44 114.58 111.40 1f04 h GLU 38 Ca 0.22 -0.24 -0.55 0.00 -1.00 0.00 0.00 59.36 57.79 1f04 h GLU 38 Cb -0.01 -0.04 0.02 0.00 0.50 0.00 0.00 28.75 29.21 1f04 h GLU 38 CO -0.04 0.82 1.22 1.58 -1.00 0.00 0.00 179.01 181.58 1f04 n HIS 39 N -4.43 2.49 -1.70 4.33 -0.00 0.12 -4.84 115.22 111.19 1f04 n HIS 39 Ca -0.02 -0.32 -0.41 0.00 0.46 0.00 0.00 57.72 57.43 1f04 n HIS 39 Cb 0.32 -2.79 -0.03 0.00 -0.12 0.00 0.00 29.99 27.38 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 7.41 2.29 -0.82 1.57 -0.04 -1.26 -3.76 135.00 140.38 1f04 n PRO 40 Ca 0.20 -2.42 -0.05 0.00 -0.04 0.00 0.00 63.50 61.19 1f04 n PRO 40 Cb 0.39 -3.24 -0.05 0.00 -0.04 0.00 0.00 33.50 30.56 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 4.64 0.48 2.81 0.55 0.00 -1.26 -5.10 105.19 107.31 1f04 n GLY 41 Ca 0.50 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.50 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 -3.32 3.44 -0.02 0.00 -1.25 -4.51 105.19 99.53 1f04 n GLY 42 Ca -0.19 0.74 -0.46 0.00 0.00 0.00 0.00 46.02 46.11 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 1.34 0.16 0.00 1.61 0.28 -1.26 -3.22 120.64 119.56 1f04 n GLU 43 Ca -0.13 0.02 0.00 0.00 -0.16 0.00 0.00 57.16 56.89 1f04 n GLU 43 Cb 0.29 -1.73 0.00 0.00 1.43 0.00 0.00 31.44 31.43 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 10.13 0.00 -0.09 -1.84 0.00 -1.26 -4.94 120.51 122.51 1f04 n ALA 44 Ca 0.59 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.93 1f04 n ALA 44 Cb 0.07 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.49 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 1.14 0.00 0.00 3.04 -1.78 0.47 116.25 119.12 1f04 h VAL 45 Ca 0.00 -0.38 -0.01 0.00 -1.01 0.00 0.00 66.70 65.30 1f04 h VAL 45 Cb 0.00 0.87 -0.00 0.00 -2.01 0.00 0.00 31.29 30.14 1f04 h VAL 45 CO 0.00 0.14 -0.03 0.25 -1.01 0.00 0.00 177.57 176.92 1f04 h LEU 46 N 0.34 0.00 0.08 3.16 5.85 -1.83 -2.68 115.31 120.23 1f04 h LEU 46 Ca 0.10 0.00 -0.30 0.00 0.84 0.00 0.00 57.88 58.52 1f04 h LEU 46 Cb 0.09 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.10 1f04 h LEU 46 CO -0.01 0.03 -1.59 -0.09 -0.34 0.00 0.00 178.44 176.44 1f04 h ARG 47 N 0.00 0.18 -0.38 1.25 1.12 -1.44 -3.12 114.38 111.98 1f04 h ARG 47 Ca -0.00 -0.30 -0.13 0.00 -1.11 0.00 0.00 59.98 58.43 1f04 h ARG 47 Cb 0.12 0.11 -0.01 0.00 -0.01 0.00 0.00 29.97 30.19 1f04 h ARG 47 CO 0.00 0.98 -0.29 0.00 -3.11 0.00 0.00 179.97 177.56 1f04 h ALA 48 N 0.58 0.54 0.00 2.80 0.00 0.18 -2.60 119.26 120.76 1f04 h ALA 48 Ca -0.26 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.24 1f04 h ALA 48 Cb 2.00 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.67 1f04 h ALA 48 CO 0.13 0.57 -0.09 1.04 0.00 0.00 0.00 179.25 180.90 1f04 n GLN 49 N -4.17 0.01 -1.36 0.00 1.13 -1.09 -4.91 117.38 106.99 1f04 n GLN 49 Ca -0.02 0.01 -0.36 0.00 -1.94 0.00 0.00 57.00 54.69 1f04 n GLN 49 Cb 0.48 -1.51 0.09 0.00 0.11 0.00 0.00 30.24 29.41 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 -1.51 -0.11 -3.20 -1.58 0.00 -0.98 -3.56 120.51 109.57 1f04 n ALA 50 Ca 0.07 -0.19 -0.15 0.00 0.00 0.00 0.00 53.44 53.17 1f04 n ALA 50 Cb 0.34 -2.15 0.07 0.00 0.00 0.00 0.00 19.45 17.72 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 1.03 -0.62 0.00 0.00 0.00 0.85 -4.74 105.19 101.71 1f04 n GLY 51 Ca 0.13 0.27 0.00 0.00 0.00 0.00 0.00 46.02 46.42 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 -1.18 -1.32 3.71 -0.02 0.00 -1.23 -4.33 105.19 100.82 1f04 n GLY 52 Ca -0.17 -0.94 -0.42 0.00 0.00 0.00 0.00 46.02 44.49 1f04 n GLY 52 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1f04 s ASP 53 N -3.64 7.16 -0.10 1.61 -1.08 -1.26 -0.60 116.67 118.76 1f04 s ASP 53 Ca 0.00 1.88 0.19 0.00 -0.52 0.00 0.00 52.55 54.11 1f04 s ASP 53 Cb 0.00 -2.57 0.43 0.00 -1.46 0.00 0.00 42.92 39.32 1f04 s ASP 53 CO 0.00 -0.42 1.19 0.00 0.52 0.00 0.00 175.17 176.45 1f04 n ALA 54 N 4.08 2.97 0.06 3.66 0.00 -0.75 -4.88 120.51 125.66 1f04 n ALA 54 Ca 0.08 -2.79 -0.13 0.00 0.00 0.00 0.00 53.44 50.61 1f04 n ALA 54 Cb 0.48 -0.58 -0.08 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 4.44 1.03 -0.54 0.00 2.02 -1.88 0.22 112.91 118.21 1f04 h THR 55 Ca -0.12 -0.49 0.06 0.00 0.77 0.00 0.00 66.41 66.64 1f04 h THR 55 Cb 1.51 1.34 -0.03 0.00 -1.74 0.00 0.00 68.15 69.23 1f04 h THR 55 CO 0.09 0.12 0.36 0.00 0.37 0.00 0.00 175.52 176.45 1f04 h ALA 56 N 0.52 1.89 -0.01 6.16 0.00 -1.91 -0.27 119.26 125.65 1f04 h ALA 56 Ca -0.01 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.74 1f04 h ALA 56 Cb 0.30 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 17.98 1f04 h ALA 56 CO 0.02 0.01 -0.54 -0.97 0.00 0.00 0.00 179.25 177.78 1f04 h ASN 57 N 0.48 0.49 0.27 0.00 -0.73 -1.74 0.39 115.58 114.74 1f04 h ASN 57 Ca 0.23 -0.75 -0.00 0.00 1.87 0.00 0.00 56.30 57.65 1f04 h ASN 57 Cb 0.32 -0.15 -0.01 0.00 0.27 0.00 0.00 38.32 38.75 1f04 h ASN 57 CO -0.06 1.18 -0.21 0.15 -0.37 0.00 0.00 177.43 178.11 1f04 h PHE 58 N -0.14 -0.55 -0.20 0.67 3.57 -0.33 -3.06 116.94 116.89 1f04 h PHE 58 Ca -0.06 -0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.34 1f04 h PHE 58 Cb 1.25 0.21 -0.01 0.00 2.79 0.00 0.00 35.95 40.18 1f04 h PHE 58 CO 0.15 -0.32 -0.31 1.05 -2.23 0.00 0.00 178.31 176.65 1f04 h GLU 59 N -0.49 0.40 -0.76 1.11 -0.00 -1.10 -2.83 114.58 110.91 1f04 h GLU 59 Ca -0.02 -0.16 0.17 0.00 -0.00 0.00 0.00 59.36 59.35 1f04 h GLU 59 Cb 0.43 -0.02 -0.11 0.00 -0.00 0.00 0.00 28.75 29.05 1f04 h GLU 59 CO -0.01 0.67 0.21 0.00 -0.00 0.00 0.00 179.01 179.88 1f04 h ALA 60 N 1.33 1.02 0.14 1.06 0.00 -0.81 0.03 119.26 122.03 1f04 h ALA 60 Ca 0.05 0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 1f04 h ALA 60 Cb 0.72 0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1f04 h ALA 60 CO 0.06 -0.33 -0.07 0.28 0.00 0.00 0.00 179.25 179.18 1f04 h VAL 61 N 0.29 0.99 0.00 0.00 2.07 -1.47 -3.49 116.25 114.64 1f04 h VAL 61 Ca 0.44 -0.63 0.00 0.00 0.82 0.00 0.00 66.70 67.32 1f04 h VAL 61 Cb 0.75 1.38 0.00 0.00 -1.52 0.00 0.00 31.29 31.90 1f04 h VAL 61 CO -0.51 0.15 0.00 0.61 0.02 0.00 0.00 177.57 177.83 1f04 n GLY 62 N -0.34 2.77 1.45 2.17 0.00 -0.00 -5.03 105.19 106.20 1f04 n GLY 62 Ca -0.09 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.18 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 -3.31 -0.93 1.61 8.25 -1.26 -4.76 115.22 114.82 1f04 n HIS 63 Ca 0.00 1.91 -0.21 0.00 -0.26 0.00 0.00 57.72 59.16 1f04 n HIS 63 Cb 0.00 -3.09 0.17 0.00 1.12 0.00 0.00 29.99 28.19 1f04 n HIS 63 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1f04 n SER 64 N 0.91 -1.64 0.05 0.41 3.41 -1.26 -4.62 113.62 110.87 1f04 n SER 64 Ca 0.00 -0.98 -0.12 0.00 -0.26 0.00 0.00 58.87 57.51 1f04 n SER 64 Cb 0.00 -0.69 -0.05 0.00 -0.26 0.00 0.00 64.21 63.21 1f04 n SER 64 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 1f04 h THR 65 N -2.30 0.31 -0.56 6.66 1.35 -1.98 0.14 112.91 116.55 1f04 h THR 65 Ca -0.28 0.00 0.11 0.00 -0.55 0.00 0.00 66.41 65.69 1f04 h THR 65 Cb 0.86 0.31 -0.11 0.00 -1.73 0.00 0.00 68.15 67.49 1f04 h THR 65 CO 0.19 0.00 -0.16 -0.78 -0.25 0.00 0.00 175.52 174.51 1f04 h ASP 66 N -0.45 -0.59 -0.44 5.36 3.58 -1.99 0.16 116.42 122.05 1f04 h ASP 66 Ca 0.07 0.17 -0.03 0.00 0.42 0.00 0.00 57.03 57.67 1f04 h ASP 66 Cb 0.55 0.37 -0.02 0.00 1.72 0.00 0.00 39.33 41.95 1f04 h ASP 66 CO -0.28 -0.20 0.18 0.00 -2.88 0.00 0.00 179.24 176.05 1f04 h ALA 67 N 1.49 0.58 -0.98 -0.78 0.00 -1.81 0.32 119.26 118.08 1f04 h ALA 67 Ca 0.27 -0.14 0.11 0.00 0.00 0.00 0.00 54.91 55.14 1f04 h ALA 67 Cb 0.43 -0.17 -0.08 0.00 0.00 0.00 0.00 17.79 17.97 1f04 h ALA 67 CO -0.59 0.18 0.61 0.00 0.00 0.00 0.00 179.25 179.45 1f04 h ARG 68 N 0.57 0.95 0.16 0.00 -0.00 0.78 0.36 114.38 117.21 1f04 h ARG 68 Ca 0.15 -0.06 -0.29 0.00 -0.50 0.00 0.00 59.98 59.28 1f04 h ARG 68 Cb 0.19 -0.21 0.03 0.00 0.00 0.00 0.00 29.97 29.98 1f04 h ARG 68 CO -0.01 0.63 -1.25 0.93 0.00 0.00 0.00 179.97 180.26 1f04 h GLU 69 N 0.98 0.56 -0.15 0.04 4.39 -0.26 -3.24 114.58 116.90 1f04 h GLU 69 Ca 0.48 -0.82 0.03 0.00 0.34 0.00 0.00 59.36 59.38 1f04 h GLU 69 Cb 0.45 0.29 -0.03 0.00 -0.10 0.00 0.00 28.75 29.36 1f04 h GLU 69 CO -0.26 1.38 -0.02 1.25 -1.16 0.00 0.00 179.01 180.20 1f04 h LEU 70 N 0.15 -0.09 -0.77 1.33 7.12 -0.01 -1.54 115.31 121.50 1f04 h LEU 70 Ca -0.20 0.04 0.12 0.00 0.13 0.00 0.00 57.88 57.96 1f04 h LEU 70 Cb 1.95 0.07 -0.13 0.00 -0.53 0.00 0.00 40.66 42.02 1f04 h LEU 70 CO 0.24 -0.03 -0.40 0.77 -0.13 0.00 0.00 178.44 178.90 1f04 h SER 71 N 0.03 -1.41 -0.76 1.25 4.64 -1.01 0.31 113.55 116.60 1f04 h SER 71 Ca 0.07 0.27 0.15 0.00 -0.47 0.00 0.00 61.79 61.80 1f04 h SER 71 Cb 0.09 0.69 -0.10 0.00 -0.31 0.00 0.00 62.40 62.78 1f04 h SER 71 CO -0.13 -0.30 0.30 0.11 -0.87 0.00 0.00 176.83 175.93 1f04 h LYS 72 N -0.11 0.42 -0.21 4.77 1.79 -1.34 0.41 116.57 122.29 1f04 h LYS 72 Ca 0.26 -0.03 0.06 0.00 -2.18 0.00 0.00 60.65 58.77 1f04 h LYS 72 Cb 0.56 -0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 31.11 1f04 h LYS 72 CO -0.82 0.28 0.18 1.15 -1.08 0.00 0.00 179.45 179.16 1f04 h THR 73 N 0.43 0.71 -0.07 -0.16 2.02 0.43 0.17 112.91 116.44 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 0.65 0.87 0.00 0.00 -1.74 0.00 0.00 68.15 67.92 1f04 h THR 73 CO -0.41 0.00 0.00 0.49 0.37 0.00 0.00 175.52 175.97 1f04 n PHE 74 N -4.19 0.06 -1.71 3.16 3.72 0.12 -4.96 117.46 113.67 1f04 n PHE 74 Ca 0.02 -0.03 -0.42 0.00 -0.05 0.00 0.00 57.45 56.97 1f04 n PHE 74 Cb 0.32 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.83 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 0.82 0.12 0.55 4.37 3.06 0.04 -2.98 119.36 125.35 1f04 n ILE 75 Ca 0.17 -0.02 0.07 0.00 -2.50 0.00 0.00 62.75 60.46 1f04 n ILE 75 Cb 0.48 -2.01 -0.09 0.00 0.54 0.00 0.00 39.64 38.56 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 4.20 0.00 0.00 9.51 -5.35 -0.69 -4.93 119.36 122.09 1f04 n ILE 76 Ca 0.17 -0.19 0.00 0.00 -0.27 0.00 0.00 62.75 62.45 1f04 n ILE 76 Cb 0.35 0.83 0.00 0.00 -1.74 0.00 0.00 39.64 39.08 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 1.41 -0.50 3.20 3.28 0.00 -1.25 -4.90 105.19 106.43 1f04 n GLY 77 Ca 0.02 -0.64 -0.12 0.00 0.00 0.00 0.00 46.02 45.28 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 -1.96 1.18 0.19 1.61 2.02 -1.26 -3.13 118.70 117.35 1f04 s GLU 78 Ca 0.00 -1.62 -0.30 0.00 0.02 0.00 0.00 54.97 53.07 1f04 s GLU 78 Cb 0.00 0.26 -0.09 0.00 0.10 0.00 0.00 34.13 34.40 1f04 s GLU 78 CO 0.00 -0.38 1.38 -1.17 0.02 0.00 0.00 175.26 175.12 1f04 s LEU 79 N -3.15 4.39 0.38 1.80 2.96 0.50 -1.55 118.68 124.02 1f04 s LEU 79 Ca 0.38 2.48 -0.26 0.00 -0.22 0.00 0.00 54.13 56.51 1f04 s LEU 79 Cb 0.07 -3.61 -0.11 0.00 0.50 0.00 0.00 46.19 43.04 1f04 s LEU 79 CO 0.11 -0.63 1.09 1.57 -1.32 0.00 0.00 176.35 177.17 1f04 n HIS 80 N 2.92 1.50 0.81 5.38 -0.00 0.00 -4.74 115.22 121.09 1f04 n HIS 80 Ca 0.08 0.58 0.08 0.00 -0.00 0.00 0.00 57.72 58.46 1f04 n HIS 80 Cb 0.42 -2.28 0.43 0.00 -0.00 0.00 0.00 29.99 28.55 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 0.30 0.25 0.12 1.57 -0.04 -1.26 -1.88 135.00 134.07 1f04 n PRO 81 Ca 0.08 0.12 0.07 0.00 -0.04 0.00 0.00 63.50 63.74 1f04 n PRO 81 Cb 0.37 -1.50 0.03 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 0.00 0.01 3.54 3.58 -1.98 -3.36 116.42 118.22 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 0.15 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.20 1f04 h ASP 82 CO 0.00 0.22 -0.01 -0.78 -2.88 0.00 0.00 179.24 175.79 1f04 h ASP 83 N 0.00 -0.02 0.00 2.28 1.82 -1.74 -3.51 116.42 115.25 1f04 h ASP 83 Ca -0.04 -0.77 0.00 0.00 -0.39 0.00 0.00 57.03 55.83 1f04 h ASP 83 Cb 1.20 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.21 1f04 h ASP 83 CO 0.02 0.81 0.00 -2.11 -1.61 0.00 0.00 179.24 176.35