#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 0.50 0.04 0.00 1.01 -1.26 -5.05 120.40 115.64 1f04 s VAL 4 Ca 0.00 -0.92 -0.21 0.00 0.00 0.00 0.00 61.98 60.85 1f04 s VAL 4 Cb 0.00 -0.55 0.05 0.00 0.00 0.00 0.00 36.38 35.88 1f04 s VAL 4 CO 0.00 -0.30 0.48 -0.75 0.00 0.00 0.00 175.10 174.53 1f04 s LYS 5 N -1.32 0.98 0.19 2.72 2.20 -1.26 -5.09 119.74 118.15 1f04 s LYS 5 Ca -0.08 -0.26 0.09 0.00 -0.36 0.00 0.00 55.97 55.36 1f04 s LYS 5 Cb -0.09 0.44 -0.04 0.00 -1.51 0.00 0.00 37.83 36.63 1f04 s LYS 5 CO 0.00 -0.34 -0.11 0.71 -0.36 0.00 0.00 175.35 175.25 1f04 s TYR 6 N -2.35 2.58 -0.02 4.03 1.51 -1.26 -2.41 117.35 119.43 1f04 s TYR 6 Ca -0.06 -0.24 0.05 0.00 -1.01 0.00 0.00 57.07 55.81 1f04 s TYR 6 Cb -0.01 -1.25 -0.01 0.00 -0.11 0.00 0.00 41.96 40.58 1f04 s TYR 6 CO -0.01 0.52 -0.18 0.71 -1.11 0.00 0.00 175.55 175.48 1f04 s TYR 7 N -1.75 1.61 0.60 2.71 2.02 -0.59 -4.82 117.35 117.13 1f04 s TYR 7 Ca 0.25 -0.34 -0.16 0.00 -0.37 0.00 0.00 57.07 56.45 1f04 s TYR 7 Cb -0.08 -1.05 -0.03 0.00 -0.40 0.00 0.00 41.96 40.39 1f04 s TYR 7 CO 0.15 -0.06 1.07 0.95 -1.57 0.00 0.00 175.55 176.09 1f04 s THR 8 N -0.32 3.70 0.26 -0.71 -4.23 -1.26 -1.51 115.64 111.58 1f04 s THR 8 Ca 0.05 0.82 -0.01 0.00 -1.18 0.00 0.00 61.69 61.37 1f04 s THR 8 Cb -0.08 -3.34 0.25 0.00 1.34 0.00 0.00 72.50 70.67 1f04 s THR 8 CO -0.00 -0.46 1.71 0.25 -0.54 0.00 0.00 174.62 175.58 1f04 h LEU 9 N 0.44 0.28 0.31 4.79 6.46 -1.94 -0.71 115.31 124.95 1f04 h LEU 9 Ca -0.47 0.13 0.00 0.00 -0.12 0.00 0.00 57.88 57.42 1f04 h LEU 9 Cb 1.23 0.12 -0.03 0.00 -0.73 0.00 0.00 40.66 41.24 1f04 h LEU 9 CO 0.57 0.05 -0.49 -0.08 -0.62 0.00 0.00 178.44 177.87 1f04 h GLU 10 N 0.42 -0.82 -0.50 1.25 4.57 -1.92 0.36 114.58 117.93 1f04 h GLU 10 Ca 0.48 0.06 0.09 0.00 -1.18 0.00 0.00 59.36 58.81 1f04 h GLU 10 Cb 0.81 0.19 -0.08 0.00 -0.16 0.00 0.00 28.75 29.51 1f04 h GLU 10 CO -0.47 -0.55 0.05 0.93 -1.18 0.00 0.00 179.01 177.80 1f04 h GLU 11 N -0.85 0.17 -0.59 1.92 3.07 -1.74 0.38 114.58 116.94 1f04 h GLU 11 Ca -0.03 -0.01 -0.00 0.00 -0.50 0.00 0.00 59.36 58.82 1f04 h GLU 11 Cb 0.80 -0.04 -0.03 0.00 -0.84 0.00 0.00 28.75 28.64 1f04 h GLU 11 CO -0.16 0.11 0.36 0.82 -1.40 0.00 0.00 179.01 178.74 1f04 h ILE 12 N 0.18 1.17 -0.52 3.13 2.04 -0.89 -2.74 117.51 119.87 1f04 h ILE 12 Ca 0.25 -0.39 0.08 0.00 1.00 0.00 0.00 64.86 65.81 1f04 h ILE 12 Cb 0.37 0.37 -0.07 0.00 -0.74 0.00 0.00 36.82 36.75 1f04 h ILE 12 CO -0.37 0.18 0.15 1.56 0.00 0.00 0.00 178.15 179.67 1f04 h GLN 13 N 0.79 0.30 -0.99 2.37 1.08 0.13 -0.32 115.11 118.47 1f04 h GLN 13 Ca 0.21 -0.02 0.28 0.00 -1.45 0.00 0.00 58.65 57.68 1f04 h GLN 13 Cb -0.02 -0.07 -0.04 0.00 -0.05 0.00 0.00 27.48 27.30 1f04 h GLN 13 CO -0.04 0.20 0.71 0.87 -0.95 0.00 0.00 178.83 179.61 1f04 h LYS 14 N 0.31 0.04 -3.53 1.46 1.57 -0.68 -2.97 116.57 112.77 1f04 h LYS 14 Ca 0.26 -0.00 -0.74 0.00 -1.87 0.00 0.00 60.65 58.30 1f04 h LYS 14 Cb 0.32 -0.01 -0.10 0.00 0.08 0.00 0.00 32.23 32.52 1f04 h LYS 14 CO -0.30 0.02 2.52 0.72 -0.57 0.00 0.00 179.45 181.85 1f04 n HIS 15 N -4.27 3.04 -2.74 -1.35 8.25 -0.13 -4.59 115.22 113.43 1f04 n HIS 15 Ca 0.21 -2.87 -0.13 0.00 -0.26 0.00 0.00 57.72 54.67 1f04 n HIS 15 Cb 1.03 -2.15 0.01 0.00 1.12 0.00 0.00 29.99 30.00 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 4.30 1.78 -4.68 0.41 0.23 -1.08 -2.63 115.26 113.59 1f04 n ASN 16 Ca 0.48 -2.90 -0.32 0.00 -0.53 0.00 0.00 54.58 51.31 1f04 n ASN 16 Cb 0.35 -0.54 -0.08 0.00 -2.08 0.00 0.00 39.78 37.44 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 -3.06 3.98 -1.08 0.53 -0.87 -0.29 -5.01 114.94 109.13 1f04 s ASN 17 Ca 0.32 -1.68 -0.07 0.00 -1.57 0.00 0.00 52.86 49.87 1f04 s ASN 17 Cb 0.43 0.57 -0.06 0.00 -0.02 0.00 0.00 41.25 42.17 1f04 s ASN 17 CO -0.01 -0.89 2.34 -1.20 -2.57 0.00 0.00 177.10 174.77 1f04 n SER 18 N -1.29 5.91 0.00 -1.22 7.64 -1.26 -3.60 113.62 119.80 1f04 n SER 18 Ca -0.18 -2.38 0.00 0.00 1.01 0.00 0.00 58.87 57.32 1f04 n SER 18 Cb 0.67 -1.21 0.00 0.00 -1.01 0.00 0.00 64.21 62.65 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 4.01 0.00 -1.86 1.43 5.02 -1.26 -5.11 118.16 120.39 1f04 n LYS 19 Ca 0.53 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 56.39 1f04 n LYS 19 Cb 0.16 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.15 1f04 n LYS 19 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1f04 s SER 20 N -3.16 6.05 -0.33 4.39 0.01 -1.24 -4.57 113.70 114.85 1f04 s SER 20 Ca 0.00 1.86 -0.01 0.00 1.31 0.00 0.00 55.95 59.10 1f04 s SER 20 Cb 0.00 -2.52 0.11 0.00 0.21 0.00 0.00 66.02 63.82 1f04 s SER 20 CO 0.00 -1.49 0.15 -0.89 0.41 0.00 0.00 173.24 171.41 1f04 s THR 21 N 6.23 0.48 0.40 1.44 2.01 -1.25 -1.14 115.64 123.81 1f04 s THR 21 Ca 0.85 -1.38 0.08 0.00 0.31 0.00 0.00 61.69 61.55 1f04 s THR 21 Cb -0.30 -1.37 -0.04 0.00 0.01 0.00 0.00 72.50 70.80 1f04 s THR 21 CO 0.34 -0.78 0.24 0.26 -0.69 0.00 0.00 174.62 173.99 1f04 s TRP 22 N 1.53 2.67 -0.01 4.92 0.52 -1.08 -2.21 118.94 125.28 1f04 s TRP 22 Ca 0.12 -0.51 -0.30 0.00 0.02 0.00 0.00 56.10 55.43 1f04 s TRP 22 Cb -0.19 -1.97 0.12 0.00 -1.15 0.00 0.00 33.47 30.28 1f04 s TRP 22 CO -0.21 0.11 1.28 -0.48 0.02 0.00 0.00 176.95 177.66 1f04 s LEU 23 N -3.97 -0.06 -0.20 2.99 0.05 -1.22 -0.32 118.68 115.95 1f04 s LEU 23 Ca 0.43 -0.15 0.01 0.00 0.05 0.00 0.00 54.13 54.47 1f04 s LEU 23 Cb 0.00 1.41 0.04 0.00 -2.05 0.00 0.00 46.19 45.59 1f04 s LEU 23 CO 0.24 -0.32 -0.13 -0.63 -0.55 0.00 0.00 176.35 174.96 1f04 s ILE 24 N -2.43 1.80 -0.36 1.48 1.01 -1.26 -2.32 121.20 119.12 1f04 s ILE 24 Ca 0.15 -1.03 0.02 0.00 0.00 0.00 0.00 60.65 59.79 1f04 s ILE 24 Cb 0.04 -1.79 0.10 0.00 0.01 0.00 0.00 42.46 40.82 1f04 s ILE 24 CO -0.03 0.27 0.09 -0.76 0.00 0.00 0.00 174.94 174.51 1f04 s LEU 25 N 1.34 4.87 -0.96 2.97 1.02 -0.23 -2.71 118.68 124.98 1f04 s LEU 25 Ca 0.00 -2.08 -0.02 0.00 0.02 0.00 0.00 54.13 52.05 1f04 s LEU 25 Cb -0.15 -1.69 -0.02 0.00 0.02 0.00 0.00 46.19 44.34 1f04 s LEU 25 CO -0.09 -0.43 0.82 1.41 0.02 0.00 0.00 176.35 178.08 1f04 n HIS 26 N 4.37 -1.93 -1.77 0.29 8.25 -1.26 -2.99 115.22 120.18 1f04 n HIS 26 Ca 0.01 0.76 -0.18 0.00 -0.26 0.00 0.00 57.72 58.05 1f04 n HIS 26 Cb 0.42 -4.32 -0.06 0.00 1.12 0.00 0.00 29.99 27.15 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 -3.37 -0.25 -4.60 4.41 4.01 -1.26 -4.98 117.16 111.12 1f04 n TYR 27 Ca -0.17 0.00 -0.24 0.00 -0.16 0.00 0.00 57.90 57.33 1f04 n TYR 27 Cb 0.63 -3.28 -0.16 0.00 -0.31 0.00 0.00 39.34 36.22 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 -3.95 1.52 -0.12 -0.72 1.02 -1.16 -0.66 119.74 115.66 1f04 s LYS 28 Ca 0.00 -0.43 -0.13 0.00 0.02 0.00 0.00 55.97 55.43 1f04 s LYS 28 Cb 0.00 -1.31 -0.05 0.00 -0.52 0.00 0.00 37.83 35.96 1f04 s LYS 28 CO 0.00 0.10 0.29 0.08 -0.92 0.00 0.00 175.35 174.90 1f04 s VAL 29 N 0.39 5.28 -0.16 3.17 1.01 -0.40 -1.07 120.40 128.62 1f04 s VAL 29 Ca -0.09 0.55 0.01 0.00 0.00 0.00 0.00 61.98 62.45 1f04 s VAL 29 Cb -0.13 -3.61 0.03 0.00 0.00 0.00 0.00 36.38 32.67 1f04 s VAL 29 CO 0.02 0.46 -0.14 -0.31 0.00 0.00 0.00 175.10 175.14 1f04 s TYR 30 N -0.05 2.29 -0.13 5.22 2.02 -0.98 -1.47 117.35 124.24 1f04 s TYR 30 Ca 0.18 -1.35 -0.28 0.00 -0.37 0.00 0.00 57.07 55.25 1f04 s TYR 30 Cb -0.13 -1.64 -0.01 0.00 -0.40 0.00 0.00 41.96 39.78 1f04 s TYR 30 CO 0.06 -0.70 0.93 0.34 -1.57 0.00 0.00 175.55 174.61 1f04 s ASP 31 N 1.45 7.12 -0.07 2.29 2.15 -1.06 -3.44 116.67 125.11 1f04 s ASP 31 Ca 0.03 1.38 0.10 0.00 0.43 0.00 0.00 52.55 54.50 1f04 s ASP 31 Cb -0.14 -2.51 0.15 0.00 -0.30 0.00 0.00 42.92 40.12 1f04 s ASP 31 CO -0.10 -0.43 1.04 0.18 -0.17 0.00 0.00 175.17 175.69 1f04 n LEU 32 N 5.12 1.55 -0.05 -1.34 4.77 -0.94 -4.85 117.00 121.26 1f04 n LEU 32 Ca 0.07 -2.18 -0.08 0.00 -0.03 0.00 0.00 56.01 53.79 1f04 n LEU 32 Cb 0.49 -0.23 -0.01 0.00 -2.33 0.00 0.00 43.42 41.34 1f04 n LEU 32 CO 0.50 0.51 0.75 0.74 -1.33 0.00 0.00 177.39 178.56 1f04 h THR 33 N 1.94 0.53 -0.29 -5.08 2.02 -1.79 0.22 112.91 110.46 1f04 h THR 33 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1f04 h THR 33 Cb 1.02 0.53 0.00 0.00 -1.74 0.00 0.00 68.15 67.96 1f04 h THR 33 CO 0.00 0.00 0.00 0.29 0.37 0.00 0.00 175.52 176.18 1f04 n LYS 34 N -5.32 1.88 -0.01 6.66 5.02 -1.26 -3.55 118.16 121.58 1f04 n LYS 34 Ca -0.01 -1.14 0.08 0.00 -2.02 0.00 0.00 58.31 55.22 1f04 n LYS 34 Cb 0.24 -1.35 -0.11 0.00 -0.02 0.00 0.00 35.03 33.79 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 0.37 0.00 -0.26 2.13 7.35 0.61 -4.61 117.46 123.05 1f04 n PHE 35 Ca 0.10 0.00 -0.04 0.00 -0.76 0.00 0.00 57.45 56.76 1f04 n PHE 35 Cb 0.33 -0.30 0.02 0.00 0.35 0.00 0.00 39.48 39.88 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 -1.23 -0.62 -2.13 3.38 -1.10 0.32 115.31 113.92 1f04 h LEU 36 Ca 0.00 0.25 -0.08 0.00 0.09 0.00 0.00 57.88 58.15 1f04 h LEU 36 Cb 0.65 0.63 -0.02 0.00 0.09 0.00 0.00 40.66 42.01 1f04 h LEU 36 CO 0.00 -0.30 0.09 -0.08 0.09 0.00 0.00 178.44 178.24 1f04 h GLU 37 N -0.11 1.04 -0.58 1.13 4.81 -1.85 -3.15 114.58 115.87 1f04 h GLU 37 Ca 0.27 -0.29 -0.04 0.00 -0.13 0.00 0.00 59.36 59.18 1f04 h GLU 37 Cb 0.57 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.80 1f04 h GLU 37 CO -0.78 0.98 0.21 0.93 -0.73 0.00 0.00 179.01 179.62 1f04 h GLU 38 N 0.95 0.88 -6.61 1.92 5.08 -1.35 -3.44 114.58 112.01 1f04 h GLU 38 Ca 0.19 -0.17 -0.53 0.00 -1.00 0.00 0.00 59.36 57.85 1f04 h GLU 38 Cb 0.45 -0.14 0.03 0.00 0.50 0.00 0.00 28.75 29.59 1f04 h GLU 38 CO 0.01 0.77 0.67 -1.58 -1.00 0.00 0.00 179.01 177.88 1f04 s HIS 39 N -5.50 3.27 0.07 4.33 2.46 0.95 -4.96 115.29 115.92 1f04 s HIS 39 Ca -0.13 1.13 -0.16 0.00 0.47 0.00 0.00 55.06 56.37 1f04 s HIS 39 Cb 0.13 -3.61 -0.14 0.00 -0.13 0.00 0.00 32.58 28.82 1f04 s HIS 39 CO 0.80 -2.00 1.32 -1.00 -2.47 0.00 0.00 174.74 171.38 1f04 h PRO 40 N 6.03 0.60 -6.50 2.88 0.13 -1.86 -3.43 132.00 129.85 1f04 h PRO 40 Ca -0.43 -0.40 -0.53 0.00 -0.87 0.00 0.00 66.00 63.77 1f04 h PRO 40 Cb 1.21 0.06 0.04 0.00 0.13 0.00 0.00 31.00 32.44 1f04 h PRO 40 CO 0.81 1.02 1.13 0.41 -0.23 0.00 0.00 178.00 181.14 1f04 n GLY 41 N 0.46 1.71 3.29 1.56 0.00 -1.26 -4.83 105.19 106.12 1f04 n GLY 41 Ca -0.06 0.72 -0.55 0.00 0.00 0.00 0.00 46.02 46.13 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 4.28 -0.35 0.39 -0.02 0.00 -1.26 -4.66 105.19 103.57 1f04 n GLY 42 Ca 0.18 0.69 0.22 0.00 0.00 0.00 0.00 46.02 47.11 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 2.71 0.43 -0.73 1.61 4.11 -1.86 0.20 114.58 121.04 1f04 h GLU 43 Ca -0.47 -0.03 0.16 0.00 0.07 0.00 0.00 59.36 59.10 1f04 h GLU 43 Cb 1.35 -0.10 -0.12 0.00 0.50 0.00 0.00 28.75 30.38 1f04 h GLU 43 CO 0.61 0.28 0.05 0.00 0.07 0.00 0.00 179.01 180.02 1f04 h ALA 44 N 1.66 0.81 -0.14 1.06 0.00 -1.96 0.43 119.26 121.12 1f04 h ALA 44 Ca 0.62 0.22 -0.08 0.00 0.00 0.00 0.00 54.91 55.67 1f04 h ALA 44 Cb 1.46 0.36 -0.00 0.00 0.00 0.00 0.00 17.79 19.61 1f04 h ALA 44 CO -0.36 -0.40 -0.23 -0.24 0.00 0.00 0.00 179.25 178.01 1f04 h VAL 45 N 0.14 1.36 -0.85 0.00 3.04 -0.93 0.18 116.25 119.19 1f04 h VAL 45 Ca 0.40 -1.46 0.19 0.00 -1.01 0.00 0.00 66.70 64.82 1f04 h VAL 45 Cb 0.71 1.97 -0.06 0.00 -2.01 0.00 0.00 31.29 31.90 1f04 h VAL 45 CO -0.61 0.43 0.57 -0.07 -1.01 0.00 0.00 177.57 176.88 1f04 h LEU 46 N 0.02 0.37 0.03 3.16 4.07 -0.96 -1.47 115.31 120.54 1f04 h LEU 46 Ca 0.01 0.03 -0.07 0.00 0.08 0.00 0.00 57.88 57.93 1f04 h LEU 46 Cb 0.80 -0.04 0.01 0.00 1.08 0.00 0.00 40.66 42.51 1f04 h LEU 46 CO 0.05 0.16 -0.31 -0.09 -1.08 0.00 0.00 178.44 177.18 1f04 h ARG 47 N 0.38 0.15 -0.73 1.13 1.12 0.17 -1.78 114.38 114.82 1f04 h ARG 47 Ca 0.43 -0.21 -0.04 0.00 -1.11 0.00 0.00 59.98 59.05 1f04 h ARG 47 Cb 1.10 0.07 -0.03 0.00 -0.01 0.00 0.00 29.97 31.09 1f04 h ARG 47 CO -0.15 1.02 0.29 0.00 -3.11 0.00 0.00 179.97 178.03 1f04 h ALA 48 N 0.14 1.14 -0.00 2.80 0.00 -0.35 0.91 119.26 123.90 1f04 h ALA 48 Ca -0.05 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1f04 h ALA 48 Cb 1.16 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1f04 h ALA 48 CO 0.06 0.62 -0.03 1.04 0.00 0.00 0.00 179.25 180.94 1f04 n GLN 49 N -4.29 0.36 -1.07 0.00 1.13 -0.58 -4.87 117.38 108.07 1f04 n GLN 49 Ca 0.07 -0.03 -0.33 0.00 -1.94 0.00 0.00 57.00 54.77 1f04 n GLN 49 Cb 0.18 -1.50 0.13 0.00 0.11 0.00 0.00 30.24 29.16 1f04 n GLN 49 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1f04 s ALA 50 N -2.65 1.81 0.00 -1.58 0.00 0.31 -4.28 121.76 115.37 1f04 s ALA 50 Ca 0.25 0.75 0.00 0.00 0.00 0.00 0.00 51.96 52.96 1f04 s ALA 50 Cb 0.20 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 19.86 1f04 s ALA 50 CO 0.48 -2.32 0.00 0.41 0.00 0.00 0.00 175.76 174.34 1f04 n GLY 51 N 0.29 3.06 0.00 0.00 0.00 0.57 -4.77 105.19 104.33 1f04 n GLY 51 Ca 0.13 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 45.23 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 0.42 2.71 -0.02 0.00 -1.26 -1.29 105.19 105.75 1f04 n GLY 52 Ca 0.00 -0.21 -0.06 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.13 -0.23 1.61 2.03 -1.26 -4.65 116.55 111.92 1f04 n ASP 53 Ca 0.00 -2.59 0.02 0.00 0.52 0.00 0.00 54.79 52.73 1f04 n ASP 53 Cb 0.00 1.31 0.03 0.00 -0.72 0.00 0.00 41.12 41.74 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 1.54 1.78 0.34 -1.67 0.00 -1.18 -4.87 120.51 116.45 1f04 n ALA 54 Ca 0.05 -1.16 -0.17 0.00 0.00 0.00 0.00 53.44 52.16 1f04 n ALA 54 Cb 0.67 -0.28 -0.09 0.00 0.00 0.00 0.00 19.45 19.75 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 3.79 0.37 -0.72 0.00 2.02 -1.90 0.13 112.91 116.61 1f04 h THR 55 Ca 0.00 -0.06 -0.01 0.00 0.77 0.00 0.00 66.41 67.11 1f04 h THR 55 Cb 1.11 0.40 -0.03 0.00 -1.74 0.00 0.00 68.15 67.88 1f04 h THR 55 CO 0.00 0.01 0.41 0.00 0.37 0.00 0.00 175.52 176.31 1f04 h ALA 56 N -0.52 0.92 0.16 6.16 0.00 -1.90 -1.00 119.26 123.07 1f04 h ALA 56 Ca -0.09 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 1f04 h ALA 56 Cb 0.66 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1f04 h ALA 56 CO 0.14 0.41 -0.08 -0.91 0.00 0.00 0.00 179.25 178.81 1f04 h ASN 57 N 0.98 -0.18 -0.15 0.00 4.21 -1.87 0.93 115.58 119.50 1f04 h ASN 57 Ca 0.25 -0.06 0.05 0.00 1.21 0.00 0.00 56.30 57.75 1f04 h ASN 57 Cb 0.00 0.05 -0.05 0.00 -1.12 0.00 0.00 38.32 37.20 1f04 h ASN 57 CO -0.04 -0.06 -0.18 0.15 -1.29 0.00 0.00 177.43 176.01 1f04 h PHE 58 N -0.30 -0.46 -0.40 1.19 3.57 -0.49 0.41 116.94 120.47 1f04 h PHE 58 Ca -0.02 0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.42 1f04 h PHE 58 Cb 0.23 0.23 -0.01 0.00 2.79 0.00 0.00 35.95 39.19 1f04 h PHE 58 CO -0.04 -0.25 -0.07 1.05 -2.23 0.00 0.00 178.31 176.77 1f04 h GLU 59 N -0.22 0.76 -0.52 1.11 -0.00 -1.13 -2.19 114.58 112.39 1f04 h GLU 59 Ca 0.10 -0.28 0.06 0.00 -0.00 0.00 0.00 59.36 59.24 1f04 h GLU 59 Cb 0.37 -0.05 -0.05 0.00 -0.00 0.00 0.00 28.75 29.02 1f04 h GLU 59 CO -0.27 0.88 0.24 0.00 -0.00 0.00 0.00 179.01 179.85 1f04 h ALA 60 N 0.85 0.66 -0.00 1.06 0.00 -0.56 -1.94 119.26 119.33 1f04 h ALA 60 Ca 0.11 0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.08 1f04 h ALA 60 Cb 0.58 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 1f04 h ALA 60 CO 0.03 -0.13 -0.17 0.28 0.00 0.00 0.00 179.25 179.26 1f04 h VAL 61 N 0.45 0.59 0.00 0.00 2.07 -0.80 -3.49 116.25 115.07 1f04 h VAL 61 Ca 0.24 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.76 1f04 h VAL 61 Cb 0.20 0.59 0.00 0.00 -1.52 0.00 0.00 31.29 30.56 1f04 h VAL 61 CO -0.20 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.00 1f04 n GLY 62 N -1.30 2.15 3.11 2.17 0.00 -0.73 -5.11 105.19 105.47 1f04 n GLY 62 Ca -0.05 -1.49 -0.05 0.00 0.00 0.00 0.00 46.02 44.43 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 -0.60 -1.06 1.28 1.61 3.76 -1.26 -4.99 115.29 114.02 1f04 s HIS 63 Ca 0.00 1.33 -0.20 0.00 -0.15 0.00 0.00 55.06 56.04 1f04 s HIS 63 Cb 0.00 0.29 0.32 0.00 1.11 0.00 0.00 32.58 34.29 1f04 s HIS 63 CO 0.00 -0.71 1.05 -1.12 -0.85 0.00 0.00 174.74 173.12 1f04 s SER 64 N 2.67 0.22 0.14 1.40 0.01 -1.26 -4.50 113.70 112.38 1f04 s SER 64 Ca 0.10 0.70 -0.27 0.00 1.31 0.00 0.00 55.95 57.79 1f04 s SER 64 Cb -0.14 -0.97 -0.02 0.00 0.21 0.00 0.00 66.02 65.09 1f04 s SER 64 CO -0.17 -4.56 1.59 0.71 0.41 0.00 0.00 173.24 171.22 1f04 h THR 65 N -2.88 0.17 -0.69 1.44 1.35 -2.02 0.19 112.91 110.47 1f04 h THR 65 Ca -0.44 0.00 0.15 0.00 -0.55 0.00 0.00 66.41 65.57 1f04 h THR 65 Cb 1.31 0.17 -0.11 0.00 -1.73 0.00 0.00 68.15 67.79 1f04 h THR 65 CO 0.32 0.00 0.04 -0.78 -0.25 0.00 0.00 175.52 174.85 1f04 h ASP 66 N -0.41 -0.23 -0.47 5.36 3.58 -1.99 0.21 116.42 122.47 1f04 h ASP 66 Ca 0.10 0.17 -0.04 0.00 0.42 0.00 0.00 57.03 57.68 1f04 h ASP 66 Cb 0.59 0.28 -0.02 0.00 1.72 0.00 0.00 39.33 41.90 1f04 h ASP 66 CO -0.44 -0.12 0.12 0.00 -2.88 0.00 0.00 179.24 175.92 1f04 h ALA 67 N 1.62 0.61 0.00 -0.78 0.00 -1.59 0.18 119.26 119.30 1f04 h ALA 67 Ca 0.38 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 1f04 h ALA 67 Cb 0.64 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 1f04 h ALA 67 CO -0.57 0.29 -0.12 0.00 0.00 0.00 0.00 179.25 178.85 1f04 h ARG 68 N 0.62 0.00 0.08 0.00 3.08 0.12 0.59 114.38 118.87 1f04 h ARG 68 Ca 0.15 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 60.03 1f04 h ARG 68 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.36 1f04 h ARG 68 CO -0.00 0.12 -0.79 0.93 -1.07 0.00 0.00 179.97 179.15 1f04 h GLU 69 N 0.00 0.17 -0.29 0.04 4.39 -0.36 -3.31 114.58 115.22 1f04 h GLU 69 Ca -0.00 -0.29 0.07 0.00 0.34 0.00 0.00 59.36 59.47 1f04 h GLU 69 Cb 0.28 0.11 -0.07 0.00 -0.10 0.00 0.00 28.75 28.97 1f04 h GLU 69 CO 0.02 1.14 -0.20 1.25 -1.16 0.00 0.00 179.01 180.06 1f04 h LEU 70 N -0.60 -0.64 -0.86 1.33 5.85 -0.22 -0.32 115.31 119.85 1f04 h LEU 70 Ca -0.17 0.13 0.15 0.00 0.84 0.00 0.00 57.88 58.83 1f04 h LEU 70 Cb 1.46 0.33 -0.15 0.00 0.37 0.00 0.00 40.66 42.67 1f04 h LEU 70 CO 0.05 -0.23 -0.32 0.77 -0.34 0.00 0.00 178.44 178.36 1f04 h SER 71 N -0.17 -1.18 -0.94 1.25 4.64 -1.05 0.30 113.55 116.40 1f04 h SER 71 Ca 0.15 0.28 0.11 0.00 -0.47 0.00 0.00 61.79 61.86 1f04 h SER 71 Cb 0.41 0.65 -0.07 0.00 -0.31 0.00 0.00 62.40 63.07 1f04 h SER 71 CO -0.39 -0.29 0.60 0.11 -0.87 0.00 0.00 176.83 175.98 1f04 h LYS 72 N -0.04 0.89 -0.05 4.77 1.57 -1.16 0.38 116.57 122.93 1f04 h LYS 72 Ca 0.34 -0.05 0.01 0.00 -1.87 0.00 0.00 60.65 59.08 1f04 h LYS 72 Cb 0.60 -0.20 -0.00 0.00 0.08 0.00 0.00 32.23 32.71 1f04 h LYS 72 CO -0.89 0.59 0.04 1.15 -0.57 0.00 0.00 179.45 179.77 1f04 h THR 73 N 0.92 0.73 -0.21 -0.16 2.02 0.14 0.05 112.91 116.39 1f04 h THR 73 Ca 0.45 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.63 1f04 h THR 73 Cb 0.46 0.97 0.00 0.00 -1.74 0.00 0.00 68.15 67.84 1f04 h THR 73 CO -0.21 0.00 0.00 0.49 0.37 0.00 0.00 175.52 176.17 1f04 n PHE 74 N -4.16 0.26 -1.78 3.16 3.72 0.12 -4.95 117.46 113.83 1f04 n PHE 74 Ca -0.02 -0.13 -0.42 0.00 -0.05 0.00 0.00 57.45 56.83 1f04 n PHE 74 Cb 0.14 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.65 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 -1.74 2.52 -0.12 4.37 2.07 -0.00 -2.55 121.20 125.75 1f04 s ILE 75 Ca 0.35 0.17 0.19 0.00 -1.41 0.00 0.00 60.65 59.95 1f04 s ILE 75 Cb 0.20 -3.11 -0.29 0.00 0.13 0.00 0.00 42.46 39.39 1f04 s ILE 75 CO 0.30 0.00 0.47 2.30 -1.91 0.00 0.00 174.94 176.10 1f04 n ILE 76 N 4.47 0.00 -2.40 2.00 -5.35 -0.55 -4.92 119.36 112.62 1f04 n ILE 76 Ca 0.16 -0.40 0.00 0.00 -0.27 0.00 0.00 62.75 62.24 1f04 n ILE 76 Cb 0.38 0.16 0.00 0.00 -1.74 0.00 0.00 39.64 38.44 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 1.40 -0.46 3.55 3.28 0.00 -1.23 -4.67 105.19 107.07 1f04 n GLY 77 Ca -0.03 -1.01 -0.25 0.00 0.00 0.00 0.00 46.02 44.73 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 1.82 0.08 1.61 2.02 -1.01 -1.27 118.70 119.95 1f04 s GLU 78 Ca 0.00 -2.01 -0.30 0.00 0.02 0.00 0.00 54.97 52.68 1f04 s GLU 78 Cb 0.00 -1.37 -0.06 0.00 0.10 0.00 0.00 34.13 32.80 1f04 s GLU 78 CO 0.00 -0.07 1.12 -1.17 0.02 0.00 0.00 175.26 175.16 1f04 s LEU 79 N -3.61 4.41 0.23 1.80 2.96 0.17 -1.54 118.68 123.09 1f04 s LEU 79 Ca 0.35 1.96 -0.31 0.00 -0.22 0.00 0.00 54.13 55.90 1f04 s LEU 79 Cb 0.08 -3.58 -0.15 0.00 0.50 0.00 0.00 46.19 43.04 1f04 s LEU 79 CO 0.17 -0.34 1.17 1.57 -1.32 0.00 0.00 176.35 177.60 1f04 n HIS 80 N 3.43 1.50 0.29 5.38 -0.00 -0.57 -4.81 115.22 120.44 1f04 n HIS 80 Ca 0.06 0.63 0.10 0.00 -0.00 0.00 0.00 57.72 58.52 1f04 n HIS 80 Cb 0.47 -2.31 0.49 0.00 -0.00 0.00 0.00 29.99 28.64 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 1.46 0.15 0.01 1.57 -0.04 -1.26 -2.08 135.00 134.81 1f04 n PRO 81 Ca 0.12 0.50 -0.05 0.00 -0.04 0.00 0.00 63.50 64.03 1f04 n PRO 81 Cb 0.29 -1.86 0.17 0.00 -0.04 0.00 0.00 33.50 32.05 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 0.52 -0.62 3.54 3.58 -1.98 -3.16 116.42 118.30 1f04 h ASP 82 Ca 0.00 -0.20 -0.10 0.00 0.42 0.00 0.00 57.03 57.16 1f04 h ASP 82 Cb 0.20 -0.14 -0.02 0.00 1.72 0.00 0.00 39.33 41.08 1f04 h ASP 82 CO 0.00 0.80 0.01 -0.78 -2.88 0.00 0.00 179.24 176.40 1f04 h ASP 83 N 0.44 1.06 0.00 2.28 1.82 -1.78 -3.52 116.42 116.71 1f04 h ASP 83 Ca 0.06 -0.30 0.00 0.00 -0.39 0.00 0.00 57.03 56.40 1f04 h ASP 83 Cb 0.75 -0.29 0.00 0.00 0.68 0.00 0.00 39.33 40.48 1f04 h ASP 83 CO 0.06 1.10 0.00 -1.14 -1.61 0.00 0.00 179.24 177.65