#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 3.74 -0.06 0.00 1.01 -1.26 -5.05 120.40 118.77 1f04 s VAL 4 Ca 0.00 1.70 -0.16 0.00 0.00 0.00 0.00 61.98 63.52 1f04 s VAL 4 Cb 0.00 -4.06 0.03 0.00 0.00 0.00 0.00 36.38 32.36 1f04 s VAL 4 CO 0.00 0.36 0.37 -0.75 0.00 0.00 0.00 175.10 175.09 1f04 s LYS 5 N -1.48 0.63 0.18 2.72 2.20 -1.26 -5.12 119.74 117.61 1f04 s LYS 5 Ca 0.45 0.11 0.11 0.00 -0.36 0.00 0.00 55.97 56.27 1f04 s LYS 5 Cb -0.28 0.29 -0.04 0.00 -1.51 0.00 0.00 37.83 36.28 1f04 s LYS 5 CO 0.36 -0.15 -0.21 0.71 -0.36 0.00 0.00 175.35 175.70 1f04 s TYR 6 N -0.78 2.38 0.02 4.03 1.51 -1.26 -2.64 117.35 120.61 1f04 s TYR 6 Ca -0.09 -0.33 0.07 0.00 -1.01 0.00 0.00 57.07 55.71 1f04 s TYR 6 Cb -0.04 -1.19 -0.02 0.00 -0.11 0.00 0.00 41.96 40.60 1f04 s TYR 6 CO 0.03 0.48 -0.20 0.71 -1.11 0.00 0.00 175.55 175.46 1f04 s TYR 7 N -1.59 1.80 0.67 2.71 2.02 -0.31 -4.75 117.35 117.90 1f04 s TYR 7 Ca 0.21 -0.36 -0.11 0.00 -0.37 0.00 0.00 57.07 56.44 1f04 s TYR 7 Cb -0.08 -1.11 -0.00 0.00 -0.40 0.00 0.00 41.96 40.36 1f04 s TYR 7 CO 0.10 0.03 1.05 0.95 -1.57 0.00 0.00 175.55 176.12 1f04 s THR 8 N -0.64 4.09 0.28 -0.71 -4.23 -1.26 -0.71 115.64 112.46 1f04 s THR 8 Ca 0.08 0.72 0.01 0.00 -1.18 0.00 0.00 61.69 61.32 1f04 s THR 8 Cb -0.08 -3.46 0.27 0.00 1.34 0.00 0.00 72.50 70.57 1f04 s THR 8 CO 0.01 -0.85 1.79 0.25 -0.54 0.00 0.00 174.62 175.27 1f04 h LEU 9 N -0.51 0.71 0.65 4.79 6.46 -1.98 -0.25 115.31 125.17 1f04 h LEU 9 Ca -0.44 0.08 -0.02 0.00 -0.12 0.00 0.00 57.88 57.38 1f04 h LEU 9 Cb 1.21 -0.05 -0.01 0.00 -0.73 0.00 0.00 40.66 41.08 1f04 h LEU 9 CO 0.57 0.31 -0.48 -0.08 -0.62 0.00 0.00 178.44 178.14 1f04 h GLU 10 N 0.76 -1.05 -0.34 1.25 4.57 -1.97 0.34 114.58 118.14 1f04 h GLU 10 Ca 0.50 0.07 0.07 0.00 -1.18 0.00 0.00 59.36 58.83 1f04 h GLU 10 Cb 0.68 0.24 -0.07 0.00 -0.16 0.00 0.00 28.75 29.44 1f04 h GLU 10 CO -0.34 -0.70 -0.12 0.93 -1.18 0.00 0.00 179.01 177.60 1f04 h GLU 11 N -1.09 -0.04 -0.66 1.92 3.07 -1.81 0.11 114.58 116.07 1f04 h GLU 11 Ca -0.08 0.00 0.02 0.00 -0.50 0.00 0.00 59.36 58.80 1f04 h GLU 11 Cb 0.90 0.01 -0.04 0.00 -0.84 0.00 0.00 28.75 28.78 1f04 h GLU 11 CO 0.03 -0.03 0.43 0.82 -1.40 0.00 0.00 179.01 178.86 1f04 h ILE 12 N -0.05 1.13 -0.35 3.13 2.04 -0.92 -1.24 117.51 121.26 1f04 h ILE 12 Ca 0.17 -0.29 0.05 0.00 1.00 0.00 0.00 64.86 65.79 1f04 h ILE 12 Cb 0.30 0.20 -0.02 0.00 -0.74 0.00 0.00 36.82 36.56 1f04 h ILE 12 CO -0.38 0.16 0.24 1.56 0.00 0.00 0.00 178.15 179.73 1f04 h GLN 13 N 0.86 0.23 0.00 2.37 1.08 0.83 -0.36 115.11 120.11 1f04 h GLN 13 Ca 0.25 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.44 1f04 h GLN 13 Cb -0.05 -0.05 0.00 0.00 -0.05 0.00 0.00 27.48 27.33 1f04 h GLN 13 CO -0.08 0.15 0.00 1.63 -0.95 0.00 0.00 178.83 179.59 1f04 n LYS 14 N -4.48 0.02 -3.18 1.46 5.02 0.25 -3.72 118.16 113.54 1f04 n LYS 14 Ca 0.04 0.40 -0.32 0.00 -2.02 0.00 0.00 58.31 56.41 1f04 n LYS 14 Cb 0.25 -1.56 -0.04 0.00 -0.02 0.00 0.00 35.03 33.65 1f04 n LYS 14 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1f04 n HIS 15 N -1.61 3.30 -2.87 2.13 8.25 -0.15 -4.85 115.22 119.43 1f04 n HIS 15 Ca 0.01 -3.61 -0.12 0.00 -0.26 0.00 0.00 57.72 53.75 1f04 n HIS 15 Cb 0.09 -0.77 0.04 0.00 1.12 0.00 0.00 29.99 30.47 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 0.71 -1.66 0.13 0.41 0.23 -0.95 -1.14 115.26 112.99 1f04 n ASN 16 Ca 0.30 -3.38 0.00 0.00 -0.53 0.00 0.00 54.58 50.98 1f04 n ASN 16 Cb 0.37 1.19 0.00 0.00 -2.08 0.00 0.00 39.78 39.26 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 0.78 -1.39 0.03 0.53 3.02 -1.20 -4.93 115.26 112.10 1f04 n ASN 17 Ca 0.12 0.47 0.00 0.00 -0.03 0.00 0.00 54.58 55.13 1f04 n ASN 17 Cb 0.66 1.45 0.00 0.00 -0.61 0.00 0.00 39.78 41.28 1f04 n ASN 17 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1f04 n SER 18 N -3.16 -0.59 -0.28 6.41 3.41 -1.26 -4.96 113.62 113.19 1f04 n SER 18 Ca 0.00 0.24 0.09 0.00 -0.26 0.00 0.00 58.87 58.94 1f04 n SER 18 Cb 0.00 0.78 0.24 0.00 -0.26 0.00 0.00 64.21 64.97 1f04 n SER 18 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1f04 h LYS 19 N 0.00 0.34 -3.25 4.33 3.11 -1.96 -3.40 116.57 115.73 1f04 h LYS 19 Ca 0.00 -0.02 -0.14 0.00 -2.81 0.00 0.00 60.65 57.68 1f04 h LYS 19 Cb 0.00 -0.08 -0.22 0.00 -1.00 0.00 0.00 32.23 30.94 1f04 h LYS 19 CO 0.00 0.23 -0.40 -1.12 -2.81 0.00 0.00 179.45 175.35 1f04 s SER 20 N -5.23 -0.12 -0.51 4.20 0.01 -1.26 -5.01 113.70 105.78 1f04 s SER 20 Ca -0.12 0.07 0.04 0.00 1.31 0.00 0.00 55.95 57.24 1f04 s SER 20 Cb 0.23 0.32 0.13 0.00 0.21 0.00 0.00 66.02 66.91 1f04 s SER 20 CO 0.77 -0.33 0.25 -0.89 0.41 0.00 0.00 173.24 173.44 1f04 s THR 21 N -1.01 2.62 0.55 1.44 2.01 -1.25 -2.25 115.64 117.76 1f04 s THR 21 Ca -0.11 -3.20 0.09 0.00 0.31 0.00 0.00 61.69 58.78 1f04 s THR 21 Cb -0.05 -2.82 0.07 0.00 0.01 0.00 0.00 72.50 69.70 1f04 s THR 21 CO 0.02 -0.78 0.71 0.26 -0.69 0.00 0.00 174.62 174.14 1f04 s TRP 22 N -0.16 1.62 -0.09 4.92 0.52 -0.29 -2.40 118.94 123.06 1f04 s TRP 22 Ca 0.16 -0.70 -0.33 0.00 0.02 0.00 0.00 56.10 55.26 1f04 s TRP 22 Cb -0.25 -2.19 0.15 0.00 -1.15 0.00 0.00 33.47 30.02 1f04 s TRP 22 CO -0.01 -0.97 1.43 -0.48 0.02 0.00 0.00 176.95 176.94 1f04 s LEU 23 N -4.57 -0.01 -0.18 2.99 0.05 -1.24 -0.11 118.68 115.61 1f04 s LEU 23 Ca 0.58 -0.02 -0.01 0.00 0.05 0.00 0.00 54.13 54.73 1f04 s LEU 23 Cb -0.06 1.04 0.00 0.00 -2.05 0.00 0.00 46.19 45.13 1f04 s LEU 23 CO 0.36 -0.03 -0.14 -0.63 -0.55 0.00 0.00 176.35 175.36 1f04 s ILE 24 N -2.05 2.65 -0.30 1.48 1.01 -1.12 -3.26 121.20 119.61 1f04 s ILE 24 Ca 0.15 -0.75 0.02 0.00 0.00 0.00 0.00 60.65 60.07 1f04 s ILE 24 Cb 0.08 -2.14 0.09 0.00 0.01 0.00 0.00 42.46 40.49 1f04 s ILE 24 CO -0.07 0.50 0.03 -0.76 0.00 0.00 0.00 174.94 174.64 1f04 s LEU 25 N 1.16 3.46 -1.04 2.97 1.02 -0.16 -1.70 118.68 124.40 1f04 s LEU 25 Ca 0.01 -1.73 -0.02 0.00 0.02 0.00 0.00 54.13 52.41 1f04 s LEU 25 Cb -0.14 -1.30 -0.02 0.00 0.02 0.00 0.00 46.19 44.74 1f04 s LEU 25 CO -0.05 -0.34 0.88 1.41 0.02 0.00 0.00 176.35 178.26 1f04 n HIS 26 N 4.53 -2.07 -1.72 0.29 8.25 -1.26 -2.68 115.22 120.56 1f04 n HIS 26 Ca -0.03 0.82 -0.20 0.00 -0.26 0.00 0.00 57.72 58.06 1f04 n HIS 26 Cb 0.43 -4.50 -0.07 0.00 1.12 0.00 0.00 29.99 26.96 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 -3.56 -0.16 -4.56 4.41 4.02 -1.26 -4.96 117.16 111.09 1f04 n TYR 27 Ca -0.19 0.00 -0.22 0.00 -0.01 0.00 0.00 57.90 57.48 1f04 n TYR 27 Cb 0.64 -3.43 -0.16 0.00 -0.02 0.00 0.00 39.34 36.38 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 -3.91 1.22 -0.10 -0.72 1.02 -1.09 -0.82 119.74 115.33 1f04 s LYS 28 Ca 0.00 -0.42 -0.11 0.00 0.02 0.00 0.00 55.97 55.46 1f04 s LYS 28 Cb 0.00 -1.11 -0.05 0.00 -0.52 0.00 0.00 37.83 36.15 1f04 s LYS 28 CO 0.00 0.18 0.25 0.08 -0.92 0.00 0.00 175.35 174.94 1f04 s VAL 29 N 0.05 5.32 -0.08 3.17 1.01 -1.02 -0.99 120.40 127.87 1f04 s VAL 29 Ca -0.02 0.45 0.00 0.00 0.00 0.00 0.00 61.98 62.42 1f04 s VAL 29 Cb -0.09 -3.54 0.02 0.00 0.00 0.00 0.00 36.38 32.77 1f04 s VAL 29 CO 0.01 0.55 -0.07 -0.31 0.00 0.00 0.00 175.10 175.27 1f04 s TYR 30 N -0.63 1.21 -0.33 5.22 2.02 -1.20 -1.72 117.35 121.92 1f04 s TYR 30 Ca 0.17 -0.50 -0.17 0.00 -0.37 0.00 0.00 57.07 56.20 1f04 s TYR 30 Cb -0.13 -1.01 -0.01 0.00 -0.40 0.00 0.00 41.96 40.40 1f04 s TYR 30 CO 0.06 -0.36 0.47 0.34 -1.57 0.00 0.00 175.55 174.49 1f04 s ASP 31 N 1.30 6.30 -0.15 2.29 2.15 -1.18 -3.62 116.67 123.76 1f04 s ASP 31 Ca -0.04 0.02 0.16 0.00 0.43 0.00 0.00 52.55 53.12 1f04 s ASP 31 Cb -0.14 -2.25 0.33 0.00 -0.30 0.00 0.00 42.92 40.56 1f04 s ASP 31 CO -0.03 -0.41 1.17 0.18 -0.17 0.00 0.00 175.17 175.91 1f04 n LEU 32 N 5.62 2.37 -0.18 -1.34 4.32 -1.01 -4.84 117.00 121.94 1f04 n LEU 32 Ca -0.06 -3.28 -0.01 0.00 -0.02 0.00 0.00 56.01 52.64 1f04 n LEU 32 Cb 0.49 -0.44 0.07 0.00 -1.62 0.00 0.00 43.42 41.92 1f04 n LEU 32 CO 0.43 0.93 0.81 0.00 -1.22 0.00 0.00 177.39 178.34 1f04 h THR 33 N 0.69 0.52 -0.44 -5.08 1.03 -1.91 0.12 112.91 107.85 1f04 h THR 33 Ca -0.00 -0.03 -0.19 0.00 -0.01 0.00 0.00 66.41 66.18 1f04 h THR 33 Cb 1.03 0.44 -0.11 0.00 -1.07 0.00 0.00 68.15 68.44 1f04 h THR 33 CO 0.00 0.01 0.24 1.17 -0.01 0.00 0.00 175.52 176.94 1f04 n LYS 34 N -5.30 1.94 -0.22 0.00 4.81 -1.26 -3.45 118.16 114.68 1f04 n LYS 34 Ca 0.06 -1.50 0.00 0.00 -0.87 0.00 0.00 58.31 56.01 1f04 n LYS 34 Cb 0.30 -1.65 0.00 0.00 0.02 0.00 0.00 35.03 33.70 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 -0.16 0.00 0.35 5.64 7.35 0.39 -4.87 117.46 126.17 1f04 n PHE 35 Ca 0.26 -0.03 -0.16 0.00 -0.76 0.00 0.00 57.45 56.76 1f04 n PHE 35 Cb 0.99 -0.03 -0.08 0.00 0.35 0.00 0.00 39.48 40.72 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 -0.78 -1.29 -2.13 3.38 -1.54 0.29 115.31 113.24 1f04 h LEU 36 Ca 0.00 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1f04 h LEU 36 Cb 1.17 0.20 -0.03 0.00 0.09 0.00 0.00 40.66 42.09 1f04 h LEU 36 CO 0.00 -0.42 0.33 -0.33 0.09 0.00 0.00 178.44 178.10 1f04 h GLU 37 N -1.16 0.81 -0.25 1.13 5.08 -1.91 -3.02 114.58 115.27 1f04 h GLU 37 Ca -0.09 -0.08 -0.04 0.00 -1.00 0.00 0.00 59.36 58.14 1f04 h GLU 37 Cb 0.73 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 1f04 h GLU 37 CO 0.15 0.59 -0.01 0.93 -1.00 0.00 0.00 179.01 179.67 1f04 h GLU 38 N 0.82 0.45 -6.07 2.33 5.08 -1.86 -3.43 114.58 111.90 1f04 h GLU 38 Ca 0.21 -0.15 -0.59 0.00 -1.00 0.00 0.00 59.36 57.83 1f04 h GLU 38 Cb 0.01 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.23 1f04 h GLU 38 CO -0.04 0.63 1.43 1.58 -1.00 0.00 0.00 179.01 181.61 1f04 n HIS 39 N -4.62 2.05 -1.86 4.33 -0.00 1.00 -4.84 115.22 111.29 1f04 n HIS 39 Ca -0.04 -0.14 -0.42 0.00 0.46 0.00 0.00 57.72 57.59 1f04 n HIS 39 Cb 0.26 -2.72 -0.01 0.00 -0.12 0.00 0.00 29.99 27.39 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 8.40 2.65 0.00 1.57 -0.04 -1.26 -4.04 135.00 142.28 1f04 n PRO 40 Ca 0.29 -2.64 0.00 0.00 -0.04 0.00 0.00 63.50 61.11 1f04 n PRO 40 Cb 0.42 -3.31 0.00 0.00 -0.04 0.00 0.00 33.50 30.57 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 4.57 -1.69 2.62 0.55 0.00 -1.26 -5.11 105.19 104.88 1f04 n GLY 41 Ca 0.51 0.83 -0.06 0.00 0.00 0.00 0.00 46.02 47.30 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 -5.14 0.31 -0.02 0.00 -1.26 -4.38 105.19 94.70 1f04 n GLY 42 Ca 0.00 1.76 0.12 0.00 0.00 0.00 0.00 46.02 47.90 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 4.12 0.35 -0.93 1.61 4.11 -1.79 0.18 114.58 122.23 1f04 h GLU 43 Ca -0.55 -0.02 0.02 0.00 0.07 0.00 0.00 59.36 58.88 1f04 h GLU 43 Cb 1.23 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 30.35 1f04 h GLU 43 CO 0.01 0.23 0.61 0.00 0.07 0.00 0.00 179.01 179.93 1f04 h ALA 44 N 1.70 1.37 0.02 1.06 0.00 -1.90 0.63 119.26 122.14 1f04 h ALA 44 Ca 0.53 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.39 1f04 h ALA 44 Cb 1.00 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1f04 h ALA 44 CO -0.54 0.56 -0.01 0.28 0.00 0.00 0.00 179.25 179.54 1f04 h VAL 45 N 1.21 1.10 -0.93 0.00 2.07 -0.90 0.27 116.25 119.07 1f04 h VAL 45 Ca 0.35 -0.38 0.09 0.00 0.82 0.00 0.00 66.70 67.58 1f04 h VAL 45 Cb -0.07 1.35 -0.07 0.00 -1.52 0.00 0.00 31.29 30.98 1f04 h VAL 45 CO -0.09 0.10 0.58 -0.07 0.02 0.00 0.00 177.57 178.10 1f04 h LEU 46 N -0.19 0.88 -0.40 2.57 3.38 -0.96 -1.17 115.31 119.40 1f04 h LEU 46 Ca -0.00 0.03 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 1f04 h LEU 46 Cb 0.18 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1f04 h LEU 46 CO 0.01 0.52 0.09 -0.09 0.09 0.00 0.00 178.44 179.05 1f04 h ARG 47 N 0.99 0.66 -0.29 1.13 9.65 -0.37 -0.36 114.38 125.79 1f04 h ARG 47 Ca 0.43 -0.16 -0.03 0.00 -1.10 0.00 0.00 59.98 59.11 1f04 h ARG 47 Cb 0.30 -0.08 -0.01 0.00 -1.39 0.00 0.00 29.97 28.79 1f04 h ARG 47 CO -0.22 0.69 0.05 0.00 2.80 0.00 0.00 179.97 183.29 1f04 h ALA 48 N 0.94 0.38 0.00 2.80 0.00 0.04 -2.05 119.26 121.38 1f04 h ALA 48 Ca 0.13 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1f04 h ALA 48 Cb 0.33 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1f04 h ALA 48 CO 0.00 0.07 0.00 1.04 0.00 0.00 0.00 179.25 180.37 1f04 n GLN 49 N -4.65 0.05 -1.64 0.00 1.13 -0.49 -4.88 117.38 106.90 1f04 n GLN 49 Ca -0.03 0.13 -0.41 0.00 -1.94 0.00 0.00 57.00 54.76 1f04 n GLN 49 Cb 0.21 -1.57 0.02 0.00 0.11 0.00 0.00 30.24 29.01 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 -1.56 0.50 -3.94 -1.58 0.00 -0.15 -2.56 120.51 111.22 1f04 n ALA 50 Ca 0.05 0.21 -0.27 0.00 0.00 0.00 0.00 53.44 53.44 1f04 n ALA 50 Cb 0.29 -2.14 -0.01 0.00 0.00 0.00 0.00 19.45 17.60 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 1.09 -0.31 3.40 0.00 0.00 0.85 -4.78 105.19 105.43 1f04 n GLY 51 Ca 0.09 0.15 -0.10 0.00 0.00 0.00 0.00 46.02 46.16 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 -4.04 0.15 -0.45 -0.02 0.00 -1.06 -4.54 107.32 97.36 1f04 s GLY 52 Ca 0.22 -0.53 -0.28 0.00 0.00 0.00 0.00 44.72 44.13 1f04 s GLY 52 CO 0.87 -0.56 1.57 -0.35 0.00 0.00 0.00 173.10 174.63 1f04 s ASP 53 N -2.91 6.04 -0.09 1.64 2.15 -1.26 -2.78 116.67 119.47 1f04 s ASP 53 Ca 0.12 0.77 0.14 0.00 0.43 0.00 0.00 52.55 54.01 1f04 s ASP 53 Cb 0.02 -2.54 0.47 0.00 -0.30 0.00 0.00 42.92 40.57 1f04 s ASP 53 CO -0.03 -1.68 1.39 0.00 -0.17 0.00 0.00 175.17 174.68 1f04 n ALA 54 N 9.85 2.67 0.19 3.66 0.00 -0.69 -4.67 120.51 131.51 1f04 n ALA 54 Ca 0.18 -1.69 -0.14 0.00 0.00 0.00 0.00 53.44 51.78 1f04 n ALA 54 Cb 0.48 -0.65 -0.07 0.00 0.00 0.00 0.00 19.45 19.22 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 2.30 0.40 -0.60 0.00 2.02 -1.78 0.21 112.91 115.46 1f04 h THR 55 Ca 0.00 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.16 1f04 h THR 55 Cb 1.15 0.40 -0.03 0.00 -1.74 0.00 0.00 68.15 67.93 1f04 h THR 55 CO 0.13 0.00 0.29 0.00 0.37 0.00 0.00 175.52 176.31 1f04 h ALA 56 N 0.01 1.38 -0.12 6.16 0.00 -1.90 -0.65 119.26 124.13 1f04 h ALA 56 Ca -0.01 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.71 1f04 h ALA 56 Cb 0.55 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 1f04 h ALA 56 CO -0.06 0.49 -0.18 -0.97 0.00 0.00 0.00 179.25 178.52 1f04 h ASN 57 N 0.84 0.37 0.23 0.00 -1.24 -1.75 -1.07 115.58 112.96 1f04 h ASN 57 Ca 0.21 -0.53 0.01 0.00 0.71 0.00 0.00 56.30 56.70 1f04 h ASN 57 Cb 0.09 -0.11 -0.03 0.00 0.73 0.00 0.00 38.32 39.00 1f04 h ASN 57 CO -0.03 0.83 -0.33 0.15 -1.29 0.00 0.00 177.43 176.76 1f04 h PHE 58 N -0.07 -0.88 -0.42 0.67 3.57 -0.42 -2.97 116.94 116.43 1f04 h PHE 58 Ca 0.01 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.47 1f04 h PHE 58 Cb 0.74 0.36 -0.02 0.00 2.79 0.00 0.00 35.95 39.82 1f04 h PHE 58 CO 0.10 -0.45 0.04 1.05 -2.23 0.00 0.00 178.31 176.82 1f04 h GLU 59 N -0.62 0.65 -0.81 1.11 -0.00 -1.13 -2.66 114.58 111.12 1f04 h GLU 59 Ca 0.00 -0.14 0.20 0.00 -0.00 0.00 0.00 59.36 59.42 1f04 h GLU 59 Cb 0.60 -0.09 -0.14 0.00 -0.00 0.00 0.00 28.75 29.12 1f04 h GLU 59 CO -0.12 0.64 0.08 0.00 -0.00 0.00 0.00 179.01 179.62 1f04 h ALA 60 N 1.43 0.96 -0.66 1.06 0.00 -1.02 0.19 119.26 121.21 1f04 h ALA 60 Ca 0.13 0.24 -0.06 0.00 0.00 0.00 0.00 54.91 55.22 1f04 h ALA 60 Cb 0.33 0.39 -0.03 0.00 0.00 0.00 0.00 17.79 18.48 1f04 h ALA 60 CO 0.01 -0.44 0.16 0.28 0.00 0.00 0.00 179.25 179.26 1f04 h VAL 61 N 0.14 1.25 0.00 0.00 2.07 -1.43 -3.48 116.25 114.80 1f04 h VAL 61 Ca 0.47 -0.93 0.00 0.00 0.82 0.00 0.00 66.70 67.06 1f04 h VAL 61 Cb 0.87 0.57 0.00 0.00 -1.52 0.00 0.00 31.29 31.21 1f04 h VAL 61 CO -0.67 0.35 0.00 0.61 0.02 0.00 0.00 177.57 177.88 1f04 n GLY 62 N -0.74 2.58 2.85 2.17 0.00 0.67 -4.97 105.19 107.76 1f04 n GLY 62 Ca 0.05 -0.82 -0.00 0.00 0.00 0.00 0.00 46.02 45.25 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 -2.93 -0.56 1.61 8.25 -1.26 -4.82 115.22 115.52 1f04 n HIS 63 Ca 0.00 1.29 -0.30 0.00 -0.26 0.00 0.00 57.72 58.45 1f04 n HIS 63 Cb 0.00 -3.20 0.22 0.00 1.12 0.00 0.00 29.99 28.13 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 0.85 -1.98 -0.28 0.41 3.41 -1.26 -4.06 113.62 110.70 1f04 n SER 64 Ca 0.00 -0.13 -0.04 0.00 -0.26 0.00 0.00 58.87 58.44 1f04 n SER 64 Cb 0.15 -1.15 0.01 0.00 -0.26 0.00 0.00 64.21 62.97 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 -2.43 0.09 -0.68 6.66 1.35 -1.97 0.29 112.91 116.22 1f04 h THR 65 Ca -0.58 0.00 0.14 0.00 -0.55 0.00 0.00 66.41 65.42 1f04 h THR 65 Cb 1.34 0.09 -0.13 0.00 -1.73 0.00 0.00 68.15 67.73 1f04 h THR 65 CO 0.45 0.00 -0.13 -0.78 -0.25 0.00 0.00 175.52 174.80 1f04 h ASP 66 N -0.10 -0.56 -0.35 5.36 3.58 -1.99 0.40 116.42 122.76 1f04 h ASP 66 Ca 0.27 0.20 -0.15 0.00 0.42 0.00 0.00 57.03 57.77 1f04 h ASP 66 Cb 0.57 0.39 -0.00 0.00 1.72 0.00 0.00 39.33 42.01 1f04 h ASP 66 CO -0.81 -0.21 -0.37 0.00 -2.88 0.00 0.00 179.24 174.97 1f04 h ALA 67 N 1.67 0.52 -0.06 -0.78 0.00 -0.85 0.19 119.26 119.94 1f04 h ALA 67 Ca 0.33 -0.45 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1f04 h ALA 67 Cb 0.52 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 1f04 h ALA 67 CO -0.67 0.61 -0.00 0.00 0.00 0.00 0.00 179.25 179.18 1f04 h ARG 68 N 0.67 0.08 0.04 0.00 3.08 0.64 -0.18 114.38 118.72 1f04 h ARG 68 Ca 0.05 -0.01 -0.09 0.00 0.07 0.00 0.00 59.98 60.00 1f04 h ARG 68 Cb 0.96 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.00 1f04 h ARG 68 CO 0.09 0.10 -0.45 0.93 -1.07 0.00 0.00 179.97 179.57 1f04 h GLU 69 N 0.09 0.09 -0.62 0.04 4.39 -0.09 -3.37 114.58 115.11 1f04 h GLU 69 Ca 0.02 -0.15 0.10 0.00 0.34 0.00 0.00 59.36 59.67 1f04 h GLU 69 Cb 0.07 0.06 -0.11 0.00 -0.10 0.00 0.00 28.75 28.66 1f04 h GLU 69 CO 0.00 1.07 -0.39 1.25 -1.16 0.00 0.00 179.01 179.78 1f04 h LEU 70 N -0.80 -1.34 -0.93 1.33 5.85 -0.23 0.22 115.31 119.40 1f04 h LEU 70 Ca -0.10 0.24 0.27 0.00 0.84 0.00 0.00 57.88 59.13 1f04 h LEU 70 Cb 1.24 0.64 -0.16 0.00 0.37 0.00 0.00 40.66 42.75 1f04 h LEU 70 CO 0.01 -0.32 0.17 0.77 -0.34 0.00 0.00 178.44 178.74 1f04 h SER 71 N -0.18 -0.18 -0.78 1.25 4.64 -1.20 0.28 113.55 117.37 1f04 h SER 71 Ca 0.21 0.24 0.01 0.00 -0.47 0.00 0.00 61.79 61.79 1f04 h SER 71 Cb 0.56 0.36 -0.04 0.00 -0.31 0.00 0.00 62.40 62.97 1f04 h SER 71 CO -0.71 -0.28 0.52 0.11 -0.87 0.00 0.00 176.83 175.60 1f04 h LYS 72 N 0.09 1.01 0.00 4.77 1.57 -0.70 0.35 116.57 123.65 1f04 h LYS 72 Ca 0.60 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 59.32 1f04 h LYS 72 Cb 1.29 -0.23 -0.00 0.00 0.08 0.00 0.00 32.23 33.37 1f04 h LYS 72 CO -0.78 0.67 -0.00 1.15 -0.57 0.00 0.00 179.45 179.91 1f04 h THR 73 N 1.04 0.43 -0.03 -0.16 2.02 -0.33 -0.38 112.91 115.49 1f04 h THR 73 Ca 0.29 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 67.45 1f04 h THR 73 Cb -0.08 1.01 0.00 0.00 -1.74 0.00 0.00 68.15 67.34 1f04 h THR 73 CO -0.07 0.00 -0.01 0.49 0.37 0.00 0.00 175.52 176.30 1f04 n PHE 74 N -3.69 0.00 -1.89 3.16 3.01 0.11 -4.98 117.46 113.17 1f04 n PHE 74 Ca -0.03 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.01 1f04 n PHE 74 Cb 0.09 -0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.53 1f04 n PHE 74 CO 0.00 0.00 0.00 -1.50 1.01 0.00 0.00 176.76 176.27 1f04 s ILE 75 N -2.02 2.43 -0.64 4.37 2.07 -0.16 -3.10 121.20 124.16 1f04 s ILE 75 Ca 0.31 0.33 0.09 0.00 -1.41 0.00 0.00 60.65 59.97 1f04 s ILE 75 Cb 0.20 -3.21 -0.04 0.00 0.13 0.00 0.00 42.46 39.54 1f04 s ILE 75 CO 0.32 0.04 0.49 2.30 -1.91 0.00 0.00 174.94 176.18 1f04 n ILE 76 N 3.15 0.00 -1.42 2.00 -5.35 -0.70 -4.93 119.36 112.12 1f04 n ILE 76 Ca 0.11 -0.36 0.00 0.00 -0.27 0.00 0.00 62.75 62.23 1f04 n ILE 76 Cb 0.38 1.06 0.00 0.00 -1.74 0.00 0.00 39.64 39.34 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 1.01 -0.03 3.51 3.28 0.00 -1.24 -4.83 105.19 106.89 1f04 n GLY 77 Ca 0.03 -1.23 -0.24 0.00 0.00 0.00 0.00 46.02 44.58 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 1.77 0.11 1.61 2.02 -1.08 -2.43 118.70 118.70 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 -1.02 -0.06 0.00 0.10 0.00 0.00 34.13 33.15 1f04 s GLU 78 CO 0.00 -0.21 1.12 -1.17 0.02 0.00 0.00 175.26 175.02 1f04 s LEU 79 N -3.56 4.43 0.27 1.80 2.96 -0.00 -1.16 118.68 123.41 1f04 s LEU 79 Ca 0.33 2.00 -0.29 0.00 -0.22 0.00 0.00 54.13 55.95 1f04 s LEU 79 Cb 0.08 -3.59 -0.14 0.00 0.50 0.00 0.00 46.19 43.04 1f04 s LEU 79 CO 0.15 -0.31 1.10 1.57 -1.32 0.00 0.00 176.35 177.54 1f04 n HIS 80 N 3.14 1.45 0.35 5.38 -0.00 0.12 -4.74 115.22 120.92 1f04 n HIS 80 Ca 0.05 0.66 0.07 0.00 -0.00 0.00 0.00 57.72 58.50 1f04 n HIS 80 Cb 0.47 -2.29 0.30 0.00 -0.00 0.00 0.00 29.99 28.47 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 0.98 0.05 0.08 1.57 -0.04 -1.26 -2.33 135.00 134.05 1f04 n PRO 81 Ca 0.10 0.36 -0.06 0.00 -0.04 0.00 0.00 63.50 63.86 1f04 n PRO 81 Cb 0.31 -1.61 0.09 0.00 -0.04 0.00 0.00 33.50 32.26 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 0.29 -0.18 3.54 3.58 -1.97 -3.25 116.42 118.42 1f04 h ASP 82 Ca 0.00 -0.18 -0.02 0.00 0.42 0.00 0.00 57.03 57.25 1f04 h ASP 82 Cb 0.20 -0.08 -0.01 0.00 1.72 0.00 0.00 39.33 41.16 1f04 h ASP 82 CO 0.00 0.86 0.02 -0.78 -2.88 0.00 0.00 179.24 176.46 1f04 h ASP 83 N 0.17 0.30 0.00 2.28 1.82 -1.83 -3.52 116.42 115.64 1f04 h ASP 83 Ca -0.01 -0.28 0.00 0.00 -0.39 0.00 0.00 57.03 56.34 1f04 h ASP 83 Cb 1.19 -0.08 0.00 0.00 0.68 0.00 0.00 39.33 41.12 1f04 h ASP 83 CO 0.10 0.51 0.00 0.54 -1.61 0.00 0.00 179.24 178.78