#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 2.35 -0.20 0.00 1.01 -1.26 -4.99 120.40 117.31 1f04 s VAL 4 Ca 0.00 0.26 -0.04 0.00 0.00 0.00 0.00 61.98 62.20 1f04 s VAL 4 Cb 0.00 -3.17 0.10 0.00 0.00 0.00 0.00 36.38 33.31 1f04 s VAL 4 CO 0.00 0.03 0.25 -0.75 0.00 0.00 0.00 175.10 174.63 1f04 s LYS 5 N 0.78 0.21 0.92 2.72 2.20 -1.26 -5.15 119.74 120.16 1f04 s LYS 5 Ca 0.70 0.31 -0.10 0.00 -0.36 0.00 0.00 55.97 56.52 1f04 s LYS 5 Cb -0.46 -0.97 0.15 0.00 -1.51 0.00 0.00 37.83 35.03 1f04 s LYS 5 CO 0.35 -0.62 1.14 0.71 -0.36 0.00 0.00 175.35 176.57 1f04 s TYR 6 N 2.37 1.67 -0.05 4.03 2.02 -1.26 -4.71 117.35 121.43 1f04 s TYR 6 Ca 0.07 1.75 0.06 0.00 -0.37 0.00 0.00 57.07 58.59 1f04 s TYR 6 Cb -0.15 -3.31 -0.01 0.00 -0.40 0.00 0.00 41.96 38.08 1f04 s TYR 6 CO -0.12 -2.79 -0.25 0.71 -1.57 0.00 0.00 175.55 171.53 1f04 s TYR 7 N -2.66 2.37 0.66 2.71 2.02 -0.24 -4.67 117.35 117.54 1f04 s TYR 7 Ca 0.66 -0.65 -0.13 0.00 -0.37 0.00 0.00 57.07 56.59 1f04 s TYR 7 Cb -0.22 -1.55 -0.01 0.00 -0.40 0.00 0.00 41.96 39.78 1f04 s TYR 7 CO 0.58 -0.17 1.06 0.95 -1.57 0.00 0.00 175.55 176.40 1f04 s THR 8 N -0.26 3.89 0.31 -0.71 -4.23 -1.26 -0.57 115.64 112.81 1f04 s THR 8 Ca -0.00 0.72 0.06 0.00 -1.18 0.00 0.00 61.69 61.29 1f04 s THR 8 Cb -0.13 -3.36 0.30 0.00 1.34 0.00 0.00 72.50 70.66 1f04 s THR 8 CO 0.03 -0.69 1.82 0.25 -0.54 0.00 0.00 174.62 175.48 1f04 h LEU 9 N -0.27 0.79 0.77 4.79 6.46 -1.98 0.49 115.31 126.37 1f04 h LEU 9 Ca -0.45 0.07 -0.03 0.00 -0.12 0.00 0.00 57.88 57.34 1f04 h LEU 9 Cb 1.22 -0.08 -0.00 0.00 -0.73 0.00 0.00 40.66 41.06 1f04 h LEU 9 CO 0.57 0.36 -0.47 -0.08 -0.62 0.00 0.00 178.44 178.19 1f04 h GLU 10 N 0.81 -1.12 -0.53 1.25 4.57 -1.98 0.27 114.58 117.86 1f04 h GLU 10 Ca 0.52 0.08 0.10 0.00 -1.18 0.00 0.00 59.36 58.88 1f04 h GLU 10 Cb 0.74 0.25 -0.09 0.00 -0.16 0.00 0.00 28.75 29.50 1f04 h GLU 10 CO -0.30 -0.75 -0.01 0.93 -1.18 0.00 0.00 179.01 177.70 1f04 h GLU 11 N -1.16 0.10 -0.43 1.92 3.07 -1.72 0.18 114.58 116.54 1f04 h GLU 11 Ca -0.10 -0.01 0.01 0.00 -0.50 0.00 0.00 59.36 58.77 1f04 h GLU 11 Cb 0.93 -0.02 -0.03 0.00 -0.84 0.00 0.00 28.75 28.79 1f04 h GLU 11 CO 0.11 0.07 0.26 0.82 -1.40 0.00 0.00 179.01 178.87 1f04 h ILE 12 N 0.10 1.06 -0.48 3.13 1.08 -0.77 -1.60 117.51 120.03 1f04 h ILE 12 Ca 0.27 -0.18 0.09 0.00 -0.39 0.00 0.00 64.86 64.65 1f04 h ILE 12 Cb 0.41 0.48 -0.03 0.00 -3.07 0.00 0.00 36.82 34.62 1f04 h ILE 12 CO -0.45 0.10 0.33 1.56 -0.69 0.00 0.00 178.15 178.99 1f04 h GLN 13 N 0.53 0.24 0.00 2.37 1.08 0.11 0.11 115.11 119.55 1f04 h GLN 13 Ca 0.17 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.35 1f04 h GLN 13 Cb -0.01 -0.05 0.00 0.00 -0.05 0.00 0.00 27.48 27.37 1f04 h GLN 13 CO -0.07 0.16 0.00 0.87 -0.95 0.00 0.00 178.83 178.84 1f04 h LYS 14 N 0.24 0.00 -3.31 1.46 1.79 0.32 -3.34 116.57 113.74 1f04 h LYS 14 Ca 0.22 0.00 -0.69 0.00 -2.18 0.00 0.00 60.65 58.00 1f04 h LYS 14 Cb 0.57 0.00 -0.36 0.00 -1.58 0.00 0.00 32.23 30.85 1f04 h LYS 14 CO -0.04 0.00 -0.19 -1.01 -1.08 0.00 0.00 179.45 177.13 1f04 s HIS 15 N -3.50 3.80 -0.16 -1.35 3.76 0.03 -4.76 115.29 113.11 1f04 s HIS 15 Ca 0.00 -3.05 0.06 0.00 -0.15 0.00 0.00 55.06 51.93 1f04 s HIS 15 Cb 0.08 -3.16 0.20 0.00 1.11 0.00 0.00 32.58 30.80 1f04 s HIS 15 CO 0.31 -0.72 1.13 0.27 -0.85 0.00 0.00 174.74 174.88 1f04 n ASN 16 N 2.39 -1.04 -2.83 1.40 0.23 -1.09 -2.27 115.26 112.05 1f04 n ASN 16 Ca 0.20 -1.84 -0.03 0.00 -0.53 0.00 0.00 54.58 52.38 1f04 n ASN 16 Cb 0.37 0.43 0.01 0.00 -2.08 0.00 0.00 39.78 38.50 1f04 n ASN 16 CO 0.00 0.00 0.00 0.21 -0.93 0.00 0.00 177.26 176.54 1f04 s ASN 17 N -0.87 -1.46 -1.55 0.53 2.47 -1.26 -4.93 114.94 107.86 1f04 s ASN 17 Ca 0.04 -1.59 -0.09 0.00 0.42 0.00 0.00 52.86 51.65 1f04 s ASN 17 Cb 0.22 1.91 0.07 0.00 -1.45 0.00 0.00 41.25 42.00 1f04 s ASN 17 CO -0.06 -0.07 0.58 -1.54 -3.72 0.00 0.00 177.10 172.29 1f04 n SER 18 N 3.17 -1.72 0.00 -4.21 3.41 -1.26 -4.76 113.62 108.25 1f04 n SER 18 Ca 0.17 -1.01 0.00 0.00 -0.26 0.00 0.00 58.87 57.77 1f04 n SER 18 Cb 0.56 -2.90 0.00 0.00 -0.26 0.00 0.00 64.21 61.61 1f04 n SER 18 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1f04 n LYS 19 N -4.42 0.00 -3.59 4.33 5.02 -1.26 -5.10 118.16 113.15 1f04 n LYS 19 Ca -0.13 0.00 -0.20 0.00 -2.02 0.00 0.00 58.31 55.96 1f04 n LYS 19 Cb 0.60 0.00 -0.15 0.00 -0.02 0.00 0.00 35.03 35.46 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 0.62 1.39 -0.94 4.39 0.01 -1.26 -5.00 113.70 112.91 1f04 s SER 20 Ca 0.00 -0.12 -0.24 0.00 1.31 0.00 0.00 55.95 56.90 1f04 s SER 20 Cb 0.00 0.18 -0.03 0.00 0.21 0.00 0.00 66.02 66.38 1f04 s SER 20 CO 0.00 -0.30 1.84 -0.89 0.41 0.00 0.00 173.24 174.30 1f04 s THR 21 N 2.27 3.55 0.59 1.44 2.01 -1.26 -2.68 115.64 121.55 1f04 s THR 21 Ca 0.04 -0.48 0.06 0.00 0.31 0.00 0.00 61.69 61.63 1f04 s THR 21 Cb -0.14 -4.25 0.08 0.00 0.01 0.00 0.00 72.50 68.20 1f04 s THR 21 CO -0.09 -1.16 0.81 0.26 -0.69 0.00 0.00 174.62 173.75 1f04 s TRP 22 N 9.03 1.77 0.00 4.92 0.52 -0.96 -1.75 118.94 132.48 1f04 s TRP 22 Ca 0.65 -0.51 0.00 0.00 0.02 0.00 0.00 56.10 56.26 1f04 s TRP 22 Cb -0.05 -2.48 0.00 0.00 -1.15 0.00 0.00 33.47 29.79 1f04 s TRP 22 CO -0.02 -1.17 0.00 1.47 0.02 0.00 0.00 176.95 177.25 1f04 n LEU 23 N -2.34 0.00 -4.33 2.99 -0.00 -1.24 -0.09 117.00 111.99 1f04 n LEU 23 Ca 0.14 0.00 -0.34 0.00 -0.00 0.00 0.00 56.01 55.81 1f04 n LEU 23 Cb 0.61 0.00 -0.14 0.00 -0.00 0.00 0.00 43.42 43.89 1f04 n LEU 23 CO 0.41 0.00 -0.43 -0.63 -0.00 0.00 0.00 177.39 176.74 1f04 s ILE 24 N -2.00 3.12 -0.24 1.47 1.01 -0.09 -3.24 121.20 121.23 1f04 s ILE 24 Ca 0.00 -0.61 0.02 0.00 0.00 0.00 0.00 60.65 60.06 1f04 s ILE 24 Cb 0.00 -2.36 0.06 0.00 0.01 0.00 0.00 42.46 40.17 1f04 s ILE 24 CO 0.00 0.48 -0.09 -0.76 0.00 0.00 0.00 174.94 174.57 1f04 s LEU 25 N 0.91 3.01 -1.25 2.97 1.02 -0.17 -0.83 118.68 124.34 1f04 s LEU 25 Ca -0.02 -1.26 -0.01 0.00 0.02 0.00 0.00 54.13 52.86 1f04 s LEU 25 Cb -0.15 -1.39 -0.00 0.00 0.02 0.00 0.00 46.19 44.67 1f04 s LEU 25 CO -0.00 -0.20 0.83 1.41 0.02 0.00 0.00 176.35 178.41 1f04 n HIS 26 N 4.54 -2.05 -1.12 0.29 8.25 -1.26 -1.59 115.22 122.28 1f04 n HIS 26 Ca -0.13 0.87 -0.04 0.00 -0.26 0.00 0.00 57.72 58.16 1f04 n HIS 26 Cb 0.43 -4.64 -0.02 0.00 1.12 0.00 0.00 29.99 26.89 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 -4.16 0.00 -5.10 4.41 4.02 -1.26 -4.98 117.16 110.09 1f04 n TYR 27 Ca -0.28 0.00 -0.28 0.00 -0.01 0.00 0.00 57.90 57.33 1f04 n TYR 27 Cb 0.67 -1.83 -0.16 0.00 -0.02 0.00 0.00 39.34 38.01 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 -1.98 1.84 -0.12 -0.72 1.02 -0.62 -0.81 119.74 118.34 1f04 s LYS 28 Ca 0.00 -0.80 -0.06 0.00 0.02 0.00 0.00 55.97 55.14 1f04 s LYS 28 Cb 0.00 -1.76 -0.04 0.00 -0.52 0.00 0.00 37.83 35.51 1f04 s LYS 28 CO 0.00 0.47 0.09 0.08 -0.92 0.00 0.00 175.35 175.07 1f04 s VAL 29 N -0.49 5.11 -0.12 3.17 1.01 -1.00 -1.00 120.40 127.08 1f04 s VAL 29 Ca 0.08 0.06 -0.01 0.00 0.00 0.00 0.00 61.98 62.11 1f04 s VAL 29 Cb -0.09 -3.22 0.03 0.00 0.00 0.00 0.00 36.38 33.10 1f04 s VAL 29 CO -0.01 0.59 -0.05 -0.31 0.00 0.00 0.00 175.10 175.32 1f04 s TYR 30 N -0.76 1.31 -0.08 5.22 2.02 -1.20 -2.17 117.35 121.69 1f04 s TYR 30 Ca 0.13 -0.67 -0.27 0.00 -0.37 0.00 0.00 57.07 55.89 1f04 s TYR 30 Cb -0.12 -1.14 -0.02 0.00 -0.40 0.00 0.00 41.96 40.28 1f04 s TYR 30 CO 0.03 -0.49 0.88 0.34 -1.57 0.00 0.00 175.55 174.73 1f04 s ASP 31 N 1.77 7.14 -0.08 2.29 -1.08 -1.18 -3.61 116.67 121.92 1f04 s ASP 31 Ca 0.04 1.39 0.17 0.00 -0.52 0.00 0.00 52.55 53.63 1f04 s ASP 31 Cb -0.13 -2.50 0.35 0.00 -1.46 0.00 0.00 42.92 39.18 1f04 s ASP 31 CO -0.07 -0.30 1.16 0.18 0.52 0.00 0.00 175.17 176.65 1f04 n LEU 32 N 4.46 1.52 -0.19 -1.34 4.77 -0.71 -4.85 117.00 120.66 1f04 n LEU 32 Ca 0.04 -2.55 -0.09 0.00 -0.03 0.00 0.00 56.01 53.38 1f04 n LEU 32 Cb 0.50 -0.21 0.02 0.00 -2.33 0.00 0.00 43.42 41.40 1f04 n LEU 32 CO 0.50 0.76 0.88 0.00 -1.33 0.00 0.00 177.39 178.20 1f04 h THR 33 N 4.40 1.25 -0.55 -5.08 1.03 -1.91 0.11 112.91 112.17 1f04 h THR 33 Ca -0.10 -0.95 -0.33 0.00 -0.01 0.00 0.00 66.41 65.03 1f04 h THR 33 Cb 1.45 0.81 -0.16 0.00 -1.07 0.00 0.00 68.15 69.18 1f04 h THR 33 CO 0.04 0.34 0.42 0.29 -0.01 0.00 0.00 175.52 176.61 1f04 n LYS 34 N -4.37 1.80 -0.05 0.00 5.02 -1.26 -3.37 118.16 115.93 1f04 n LYS 34 Ca 0.02 -1.72 0.00 0.00 -2.02 0.00 0.00 58.31 54.59 1f04 n LYS 34 Cb 0.26 -1.67 0.00 0.00 -0.02 0.00 0.00 35.03 33.60 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 -0.13 0.00 0.09 2.13 7.35 0.35 -4.90 117.46 122.35 1f04 n PHE 35 Ca 0.34 0.00 -0.04 0.00 -0.76 0.00 0.00 57.45 56.99 1f04 n PHE 35 Cb 0.88 0.01 -0.02 0.00 0.35 0.00 0.00 39.48 40.70 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 -0.22 -1.28 -2.13 3.38 -1.46 0.37 115.31 113.98 1f04 h LEU 36 Ca 0.00 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1f04 h LEU 36 Cb 1.04 0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.82 1f04 h LEU 36 CO 0.00 -0.15 0.30 -0.33 0.09 0.00 0.00 178.44 178.35 1f04 h GLU 37 N -0.24 0.80 -0.65 1.13 5.08 -1.92 -2.87 114.58 115.91 1f04 h GLU 37 Ca -0.02 -0.09 -0.04 0.00 -1.00 0.00 0.00 59.36 58.21 1f04 h GLU 37 Cb 0.19 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.25 1f04 h GLU 37 CO 0.04 0.60 0.25 0.93 -1.00 0.00 0.00 179.01 179.82 1f04 h GLU 38 N 0.80 0.98 -6.03 2.33 5.08 -1.89 -3.43 114.58 112.43 1f04 h GLU 38 Ca 0.20 -0.19 -0.66 0.00 -1.00 0.00 0.00 59.36 57.72 1f04 h GLU 38 Cb 0.05 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.13 1f04 h GLU 38 CO -0.03 0.83 1.36 1.58 -1.00 0.00 0.00 179.01 181.75 1f04 n HIS 39 N -4.40 1.77 -1.58 4.33 -0.00 0.13 -4.81 115.22 110.66 1f04 n HIS 39 Ca 0.04 0.20 -0.41 0.00 0.46 0.00 0.00 57.72 58.01 1f04 n HIS 39 Cb 0.18 -2.57 -0.01 0.00 -0.12 0.00 0.00 29.99 27.47 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 7.93 2.76 0.00 1.57 -0.04 -1.26 -4.22 135.00 141.74 1f04 n PRO 40 Ca 0.36 -2.43 0.00 0.00 -0.04 0.00 0.00 63.50 61.40 1f04 n PRO 40 Cb 0.26 -3.16 0.00 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 4.08 0.51 2.73 0.55 0.00 -1.26 -5.13 105.19 106.68 1f04 n GLY 41 Ca 0.55 0.31 -0.18 0.00 0.00 0.00 0.00 46.02 46.70 1f04 n GLY 41 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1f04 s GLY 42 N 0.00 0.15 0.10 -0.02 0.00 -1.26 -5.03 107.32 101.26 1f04 s GLY 42 Ca 0.00 0.31 -0.19 0.00 0.00 0.00 0.00 44.72 44.85 1f04 s GLY 42 CO 0.00 1.34 1.58 1.05 0.00 0.00 0.00 173.10 177.07 1f04 h GLU 43 N 8.21 0.42 -0.06 2.90 -0.00 -1.82 -0.58 114.58 123.64 1f04 h GLU 43 Ca -0.18 -0.11 0.04 0.00 -0.00 0.00 0.00 59.36 59.11 1f04 h GLU 43 Cb 1.12 -0.05 -0.05 0.00 -0.00 0.00 0.00 28.75 29.76 1f04 h GLU 43 CO 0.21 0.53 -0.29 0.00 -0.00 0.00 0.00 179.01 179.45 1f04 h ALA 44 N 0.88 -0.37 -0.67 1.06 0.00 -1.95 0.30 119.26 118.52 1f04 h ALA 44 Ca 0.08 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1f04 h ALA 44 Cb 0.30 0.54 -0.03 0.00 0.00 0.00 0.00 17.79 18.59 1f04 h ALA 44 CO 0.00 -0.78 0.34 -0.24 0.00 0.00 0.00 179.25 178.57 1f04 h VAL 45 N -0.40 1.22 -0.92 0.00 3.04 -1.97 0.26 116.25 117.48 1f04 h VAL 45 Ca 0.08 -0.59 0.12 0.00 -1.01 0.00 0.00 66.70 65.30 1f04 h VAL 45 Cb 0.52 0.38 -0.07 0.00 -2.01 0.00 0.00 31.29 30.11 1f04 h VAL 45 CO -0.29 0.25 0.59 0.25 -1.01 0.00 0.00 177.57 177.35 1f04 h LEU 46 N 0.92 0.78 -0.00 3.16 6.46 0.59 -2.28 115.31 124.94 1f04 h LEU 46 Ca 0.23 0.03 -0.27 0.00 -0.12 0.00 0.00 57.88 57.76 1f04 h LEU 46 Cb 0.09 -0.12 0.02 0.00 -0.73 0.00 0.00 40.66 39.91 1f04 h LEU 46 CO -0.03 0.43 -1.05 -0.09 -0.62 0.00 0.00 178.44 177.08 1f04 h ARG 47 N 0.85 0.70 -0.41 1.25 1.12 0.51 -2.45 114.38 115.95 1f04 h ARG 47 Ca 0.44 -0.76 -0.05 0.00 -1.11 0.00 0.00 59.98 58.51 1f04 h ARG 47 Cb 0.53 0.22 -0.02 0.00 -0.01 0.00 0.00 29.97 30.69 1f04 h ARG 47 CO -0.21 1.33 0.07 0.00 -3.11 0.00 0.00 179.97 178.05 1f04 h ALA 48 N 0.40 0.54 0.00 2.80 0.00 -0.22 -2.43 119.26 120.35 1f04 h ALA 48 Ca -0.13 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1f04 h ALA 48 Cb 1.70 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.34 1f04 h ALA 48 CO 0.21 0.25 0.00 1.04 0.00 0.00 0.00 179.25 180.75 1f04 n GLN 49 N -4.51 0.19 -1.63 0.00 1.13 -0.88 -4.93 117.38 106.75 1f04 n GLN 49 Ca -0.00 0.17 -0.39 0.00 -1.94 0.00 0.00 57.00 54.84 1f04 n GLN 49 Cb 0.23 -1.73 0.04 0.00 0.11 0.00 0.00 30.24 28.89 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 -1.71 0.37 -3.26 -1.58 0.00 -0.92 -3.39 120.51 110.03 1f04 n ALA 50 Ca 0.06 0.11 -0.15 0.00 0.00 0.00 0.00 53.44 53.45 1f04 n ALA 50 Cb 0.39 -2.13 0.07 0.00 0.00 0.00 0.00 19.45 17.79 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 1.18 -1.09 3.93 0.00 0.00 0.88 -4.78 105.19 105.30 1f04 n GLY 51 Ca 0.11 0.55 0.03 0.00 0.00 0.00 0.00 46.02 46.71 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 -3.47 -0.20 -0.41 -0.02 0.00 -1.22 -4.27 107.32 97.74 1f04 s GLY 52 Ca 0.42 0.19 -0.29 0.00 0.00 0.00 0.00 44.72 45.04 1f04 s GLY 52 CO 0.74 4.85 1.45 -0.35 0.00 0.00 0.00 173.10 179.78 1f04 s ASP 53 N -3.69 6.28 -0.10 1.64 -1.08 -1.26 -0.91 116.67 117.56 1f04 s ASP 53 Ca 0.27 0.86 0.14 0.00 -0.52 0.00 0.00 52.55 53.30 1f04 s ASP 53 Cb 0.01 -2.54 0.45 0.00 -1.46 0.00 0.00 42.92 39.37 1f04 s ASP 53 CO -0.02 -1.47 1.37 0.00 0.52 0.00 0.00 175.17 175.56 1f04 n ALA 54 N 9.01 2.65 0.20 3.66 0.00 -0.01 -4.78 120.51 131.24 1f04 n ALA 54 Ca 0.17 -1.74 -0.15 0.00 0.00 0.00 0.00 53.44 51.72 1f04 n ALA 54 Cb 0.48 -0.61 -0.07 0.00 0.00 0.00 0.00 19.45 19.24 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 2.08 0.29 -0.45 0.00 2.02 -1.82 0.26 112.91 115.29 1f04 h THR 55 Ca 0.00 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.19 1f04 h THR 55 Cb 1.13 0.29 -0.02 0.00 -1.74 0.00 0.00 68.15 67.81 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 -0.19 0.57 -0.50 6.16 0.00 -1.91 -0.21 119.26 123.18 1f04 h ALA 56 Ca -0.01 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.90 1f04 h ALA 56 Cb 0.64 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.21 1f04 h ALA 56 CO -0.08 0.01 0.28 -0.91 0.00 0.00 0.00 179.25 178.55 1f04 h ASN 57 N 0.60 0.44 0.81 0.00 4.21 -1.79 0.53 115.58 120.38 1f04 h ASN 57 Ca 0.17 0.01 -0.04 0.00 1.21 0.00 0.00 56.30 57.65 1f04 h ASN 57 Cb -0.06 -0.08 0.01 0.00 -1.12 0.00 0.00 38.32 37.07 1f04 h ASN 57 CO -0.04 0.31 -0.39 0.15 -1.29 0.00 0.00 177.43 176.16 1f04 h PHE 58 N 0.55 -1.01 -0.44 1.19 3.57 -0.22 -3.24 116.94 117.34 1f04 h PHE 58 Ca 0.21 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.67 1f04 h PHE 58 Cb 0.06 0.34 -0.02 0.00 2.79 0.00 0.00 35.95 39.12 1f04 h PHE 58 CO -0.08 -0.63 0.21 1.05 -2.23 0.00 0.00 178.31 176.63 1f04 h GLU 59 N -1.17 0.61 -1.10 1.11 -0.00 -0.89 0.77 114.58 113.92 1f04 h GLU 59 Ca -0.11 -0.07 0.31 0.00 -0.00 0.00 0.00 59.36 59.49 1f04 h GLU 59 Cb 0.84 -0.12 -0.11 0.00 -0.00 0.00 0.00 28.75 29.36 1f04 h GLU 59 CO 0.18 0.48 0.69 0.00 -0.00 0.00 0.00 179.01 180.36 1f04 h ALA 60 N 1.62 2.27 -2.29 1.06 0.00 -0.96 -1.65 119.26 119.31 1f04 h ALA 60 Ca 0.15 0.10 -0.79 0.00 0.00 0.00 0.00 54.91 54.38 1f04 h ALA 60 Cb 0.07 0.08 -0.29 0.00 0.00 0.00 0.00 17.79 17.65 1f04 h ALA 60 CO -0.02 -0.76 0.50 0.28 0.00 0.00 0.00 179.25 179.24 1f04 n VAL 61 N -4.72 4.66 -1.45 0.00 0.31 0.26 -5.03 118.33 112.36 1f04 n VAL 61 Ca 0.29 -5.59 -0.46 0.00 -0.01 0.00 0.00 64.34 58.57 1f04 n VAL 61 Cb 1.01 -2.33 -0.10 0.00 -0.91 0.00 0.00 33.84 31.51 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 1.97 -0.04 3.85 2.92 0.00 -0.62 -4.93 105.19 108.34 1f04 n GLY 62 Ca 0.25 1.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.95 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 8.62 3.44 0.99 1.61 3.76 -1.26 -5.09 115.29 127.36 1f04 s HIS 63 Ca 1.19 1.30 -0.14 0.00 -0.15 0.00 0.00 55.06 57.26 1f04 s HIS 63 Cb -0.99 -2.65 0.19 0.00 1.11 0.00 0.00 32.58 30.24 1f04 s HIS 63 CO 0.48 -0.20 1.15 0.45 -0.85 0.00 0.00 174.74 175.77 1f04 s SER 64 N -2.93 2.76 0.19 1.40 0.15 -1.26 -4.80 113.70 109.23 1f04 s SER 64 Ca 0.56 0.83 -0.12 0.00 0.70 0.00 0.00 55.95 57.93 1f04 s SER 64 Cb -0.10 -1.28 0.22 0.00 -1.71 0.00 0.00 66.02 63.15 1f04 s SER 64 CO 0.28 -3.00 1.73 0.74 1.20 0.00 0.00 173.24 174.19 1f04 h THR 65 N -1.81 0.76 -0.36 6.45 2.02 -1.98 0.27 112.91 118.26 1f04 h THR 65 Ca -0.49 -0.11 0.07 0.00 0.77 0.00 0.00 66.41 66.64 1f04 h THR 65 Cb 1.31 0.41 -0.06 0.00 -1.74 0.00 0.00 68.15 68.07 1f04 h THR 65 CO 0.52 0.06 -0.03 -0.78 0.37 0.00 0.00 175.52 175.67 1f04 h ASP 66 N 0.32 -0.20 -0.41 4.18 3.58 -1.99 0.27 116.42 122.18 1f04 h ASP 66 Ca 0.27 0.09 -0.00 0.00 0.42 0.00 0.00 57.03 57.81 1f04 h ASP 66 Cb 0.34 0.17 -0.02 0.00 1.72 0.00 0.00 39.33 41.53 1f04 h ASP 66 CO -0.30 -0.06 0.25 0.00 -2.88 0.00 0.00 179.24 176.25 1f04 h ALA 67 N 1.33 0.52 -0.34 -0.78 0.00 -1.81 0.29 119.26 118.46 1f04 h ALA 67 Ca 0.17 -0.05 0.07 0.00 0.00 0.00 0.00 54.91 55.11 1f04 h ALA 67 Cb 0.25 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1f04 h ALA 67 CO -0.31 -0.00 0.24 -0.09 0.00 0.00 0.00 179.25 179.08 1f04 h ARG 68 N 0.54 0.13 0.06 0.00 2.43 0.10 0.17 114.38 117.82 1f04 h ARG 68 Ca 0.15 -0.01 -0.19 0.00 -0.81 0.00 0.00 59.98 59.12 1f04 h ARG 68 Cb -0.02 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.49 1f04 h ARG 68 CO -0.03 0.09 -0.98 0.93 -1.51 0.00 0.00 179.97 178.47 1f04 h GLU 69 N 0.14 0.14 0.19 0.20 4.39 -0.16 -3.32 114.58 116.15 1f04 h GLU 69 Ca 0.16 -0.23 0.01 0.00 0.34 0.00 0.00 59.36 59.63 1f04 h GLU 69 Cb 0.44 0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 29.15 1f04 h GLU 69 CO -0.02 1.11 -0.26 1.25 -1.16 0.00 0.00 179.01 179.93 1f04 h LEU 70 N -0.63 -0.73 -0.97 1.33 5.85 0.06 -1.16 115.31 119.07 1f04 h LEU 70 Ca -0.22 0.08 0.17 0.00 0.84 0.00 0.00 57.88 58.74 1f04 h LEU 70 Cb 1.46 0.26 -0.17 0.00 0.37 0.00 0.00 40.66 42.59 1f04 h LEU 70 CO -0.01 -0.37 -0.32 -1.54 -0.34 0.00 0.00 178.44 175.87 1f04 n SER 71 N -5.38 -0.50 -0.25 1.25 3.41 0.56 0.09 113.62 112.80 1f04 n SER 71 Ca -0.08 1.68 0.02 0.00 -0.26 0.00 0.00 58.87 60.23 1f04 n SER 71 Cb 0.29 -0.44 0.14 0.00 -0.26 0.00 0.00 64.21 63.94 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 0.60 -0.03 4.33 1.79 -1.33 0.23 116.57 122.16 1f04 h LYS 72 Ca 0.39 -0.04 0.01 0.00 -2.18 0.00 0.00 60.65 58.84 1f04 h LYS 72 Cb 0.64 -0.13 -0.00 0.00 -1.58 0.00 0.00 32.23 31.15 1f04 h LYS 72 CO -0.98 0.39 0.02 1.15 -1.08 0.00 0.00 179.45 178.96 1f04 h THR 73 N 0.61 0.74 -0.25 -0.16 2.02 0.22 0.17 112.91 116.26 1f04 h THR 73 Ca 0.36 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.54 1f04 h THR 73 Cb 0.38 0.98 0.00 0.00 -1.74 0.00 0.00 68.15 67.77 1f04 h THR 73 CO -0.27 0.00 0.00 0.49 0.37 0.00 0.00 175.52 176.11 1f04 n PHE 74 N -4.17 0.31 -2.02 3.16 3.72 0.59 -4.94 117.46 114.12 1f04 n PHE 74 Ca -0.02 -0.16 -0.42 0.00 -0.05 0.00 0.00 57.45 56.80 1f04 n PHE 74 Cb 0.11 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.62 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 -1.69 3.02 -0.27 4.37 2.07 0.11 -3.07 121.20 125.73 1f04 s ILE 75 Ca 0.35 0.64 0.16 0.00 -1.41 0.00 0.00 60.65 60.38 1f04 s ILE 75 Cb 0.20 -3.41 -0.22 0.00 0.13 0.00 0.00 42.46 39.16 1f04 s ILE 75 CO 0.28 0.03 0.46 2.30 -1.91 0.00 0.00 174.94 176.10 1f04 n ILE 76 N 4.27 0.00 0.00 2.00 -5.35 -0.92 -4.96 119.36 114.40 1f04 n ILE 76 Ca 0.14 -0.28 0.00 0.00 -0.27 0.00 0.00 62.75 62.34 1f04 n ILE 76 Cb 0.40 0.45 0.00 0.00 -1.74 0.00 0.00 39.64 38.75 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 1.52 -0.36 3.22 3.28 0.00 -1.25 -4.88 105.19 106.72 1f04 n GLY 77 Ca -0.01 -0.79 -0.13 0.00 0.00 0.00 0.00 46.02 45.09 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 1.24 0.18 1.61 2.02 -1.26 -2.37 118.70 118.12 1f04 s GLU 78 Ca 0.00 -1.65 -0.30 0.00 0.02 0.00 0.00 54.97 53.04 1f04 s GLU 78 Cb 0.00 0.15 -0.08 0.00 0.10 0.00 0.00 34.13 34.30 1f04 s GLU 78 CO 0.00 -0.36 1.20 -1.17 0.02 0.00 0.00 175.26 174.95 1f04 s LEU 79 N -3.19 4.45 0.37 1.80 2.96 0.00 -1.08 118.68 124.00 1f04 s LEU 79 Ca 0.38 2.23 -0.27 0.00 -0.22 0.00 0.00 54.13 56.25 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 0.12 -0.37 1.27 1.57 -1.32 0.00 0.00 176.35 177.62 1f04 n HIS 80 N 2.53 2.20 0.50 5.38 -0.00 0.26 -4.68 115.22 121.40 1f04 n HIS 80 Ca 0.04 0.54 0.06 0.00 -0.00 0.00 0.00 57.72 58.36 1f04 n HIS 80 Cb 0.45 -2.40 0.28 0.00 -0.00 0.00 0.00 29.99 28.32 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 0.38 0.11 0.10 1.57 -0.04 -1.26 -1.97 135.00 133.89 1f04 n PRO 81 Ca 0.05 0.22 0.01 0.00 -0.04 0.00 0.00 63.50 63.75 1f04 n PRO 81 Cb 0.37 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.32 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 0.17 3.54 3.58 -1.97 -3.36 116.42 118.38 1f04 h ASP 82 Ca 0.00 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.44 1f04 h ASP 82 Cb 0.14 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.19 1f04 h ASP 82 CO 0.00 0.55 -0.08 -0.78 -2.88 0.00 0.00 179.24 176.05 1f04 h ASP 83 N 0.00 -0.19 0.00 2.28 1.82 -1.76 -3.51 116.42 115.05 1f04 h ASP 83 Ca -0.05 -0.31 0.00 0.00 -0.39 0.00 0.00 57.03 56.28 1f04 h ASP 83 Cb 1.46 0.05 0.00 0.00 0.68 0.00 0.00 39.33 41.52 1f04 h ASP 83 CO 0.06 0.37 0.00 -2.11 -1.61 0.00 0.00 179.24 175.95