#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 0.03 0.24 0.00 0.11 -1.26 -5.10 120.40 114.41 1f04 s VAL 4 Ca 0.00 -0.24 0.00 0.00 -2.93 0.00 0.00 61.98 58.81 1f04 s VAL 4 Cb 0.00 -0.70 -0.05 0.00 -1.53 0.00 0.00 36.38 34.10 1f04 s VAL 4 CO 0.00 -0.13 0.11 -0.75 -3.33 0.00 0.00 175.10 170.99 1f04 s LYS 5 N -0.87 1.33 0.17 1.54 2.47 -1.26 -5.08 119.74 118.03 1f04 s LYS 5 Ca -0.09 -1.71 0.07 0.00 -1.56 0.00 0.00 55.97 52.68 1f04 s LYS 5 Cb -0.04 -0.08 -0.04 0.00 -1.46 0.00 0.00 37.83 36.21 1f04 s LYS 5 CO 0.05 -0.32 -0.15 0.71 0.16 0.00 0.00 175.35 175.79 1f04 s TYR 6 N -3.89 1.63 -0.00 4.03 2.02 -1.26 -1.86 117.35 118.02 1f04 s TYR 6 Ca 0.38 -0.55 0.03 0.00 -0.37 0.00 0.00 57.07 56.56 1f04 s TYR 6 Cb 0.08 -0.80 -0.01 0.00 -0.40 0.00 0.00 41.96 40.83 1f04 s TYR 6 CO 0.13 0.27 -0.10 0.71 -1.57 0.00 0.00 175.55 174.99 1f04 s TYR 7 N -2.49 0.85 0.65 2.71 2.02 -0.81 -4.84 117.35 115.45 1f04 s TYR 7 Ca 0.16 -0.19 -0.13 0.00 -0.37 0.00 0.00 57.07 56.55 1f04 s TYR 7 Cb -0.03 -0.54 -0.01 0.00 -0.40 0.00 0.00 41.96 40.98 1f04 s TYR 7 CO 0.05 -0.01 1.06 0.95 -1.57 0.00 0.00 175.55 176.03 1f04 s THR 8 N -0.31 3.90 0.26 -0.71 -4.23 -1.26 -1.08 115.64 112.20 1f04 s THR 8 Ca 0.03 0.74 -0.02 0.00 -1.18 0.00 0.00 61.69 61.26 1f04 s THR 8 Cb -0.04 -3.37 0.24 0.00 1.34 0.00 0.00 72.50 70.67 1f04 s THR 8 CO -0.00 -0.68 1.79 0.25 -0.54 0.00 0.00 174.62 175.44 1f04 h LEU 9 N -0.21 0.64 0.40 4.79 6.46 -1.99 -0.72 115.31 124.69 1f04 h LEU 9 Ca -0.45 0.07 -0.01 0.00 -0.12 0.00 0.00 57.88 57.37 1f04 h LEU 9 Cb 1.22 -0.05 -0.02 0.00 -0.73 0.00 0.00 40.66 41.08 1f04 h LEU 9 CO 0.57 0.32 -0.44 -0.08 -0.62 0.00 0.00 178.44 178.19 1f04 h GLU 10 N 0.74 -0.81 -0.50 1.25 4.57 -1.96 0.34 114.58 118.20 1f04 h GLU 10 Ca 0.44 0.06 0.09 0.00 -1.18 0.00 0.00 59.36 58.77 1f04 h GLU 10 Cb 0.52 0.18 -0.08 0.00 -0.16 0.00 0.00 28.75 29.22 1f04 h GLU 10 CO -0.30 -0.54 0.06 0.93 -1.18 0.00 0.00 179.01 177.97 1f04 h GLU 11 N -0.84 0.17 -0.59 1.92 3.07 -1.85 0.14 114.58 116.59 1f04 h GLU 11 Ca -0.05 -0.01 -0.01 0.00 -0.50 0.00 0.00 59.36 58.79 1f04 h GLU 11 Cb 0.74 -0.04 -0.03 0.00 -0.84 0.00 0.00 28.75 28.58 1f04 h GLU 11 CO -0.08 0.12 0.34 0.82 -1.40 0.00 0.00 179.01 178.81 1f04 h ILE 12 N 0.18 1.18 0.00 3.13 2.04 -0.92 -1.40 117.51 121.73 1f04 h ILE 12 Ca 0.25 -0.44 0.00 0.00 1.00 0.00 0.00 64.86 65.67 1f04 h ILE 12 Cb 0.36 0.40 0.00 0.00 -0.74 0.00 0.00 36.82 36.84 1f04 h ILE 12 CO -0.37 0.19 0.00 1.56 0.00 0.00 0.00 178.15 179.54 1f04 h GLN 13 N 0.80 0.00 0.00 2.37 4.20 0.12 0.23 115.11 122.83 1f04 h GLN 13 Ca 0.21 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.92 1f04 h GLN 13 Cb 0.01 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.79 1f04 h GLN 13 CO -0.04 0.00 0.00 0.87 -0.67 0.00 0.00 178.83 178.99 1f04 h LYS 14 N 0.00 0.00 -3.16 1.46 1.57 0.37 -3.38 116.57 113.43 1f04 h LYS 14 Ca 0.00 0.00 -0.76 0.00 -1.87 0.00 0.00 60.65 58.02 1f04 h LYS 14 Cb 0.17 0.00 -0.31 0.00 0.08 0.00 0.00 32.23 32.17 1f04 h LYS 14 CO 0.00 0.00 0.33 0.72 -0.57 0.00 0.00 179.45 179.93 1f04 n HIS 15 N -2.72 3.88 -2.70 -1.35 8.25 0.07 -4.75 115.22 115.90 1f04 n HIS 15 Ca 0.03 -3.56 -0.06 0.00 -0.26 0.00 0.00 57.72 53.86 1f04 n HIS 15 Cb 0.37 -1.31 0.10 0.00 1.12 0.00 0.00 29.99 30.27 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 1.96 -1.85 0.00 0.41 0.23 -1.08 -2.34 115.26 112.60 1f04 n ASN 16 Ca 0.25 -2.89 0.00 0.00 -0.53 0.00 0.00 54.58 51.41 1f04 n ASN 16 Cb 0.37 1.59 0.00 0.00 -2.08 0.00 0.00 39.78 39.65 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 0.40 0.00 -2.70 0.53 3.02 -1.26 -4.95 115.26 110.30 1f04 n ASN 17 Ca 0.01 0.00 -0.07 0.00 -0.03 0.00 0.00 54.58 54.49 1f04 n ASN 17 Cb 0.73 0.10 0.09 0.00 -0.61 0.00 0.00 39.78 40.09 1f04 n ASN 17 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1f04 n SER 18 N -1.44 -1.95 0.13 6.41 7.64 -1.26 -4.96 113.62 118.20 1f04 n SER 18 Ca 0.00 -2.87 0.00 0.00 1.01 0.00 0.00 58.87 57.01 1f04 n SER 18 Cb 0.00 1.45 0.00 0.00 -1.01 0.00 0.00 64.21 64.65 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 -0.02 0.00 -3.72 1.43 5.02 -1.26 -5.11 118.16 114.49 1f04 n LYS 19 Ca -0.02 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.14 1f04 n LYS 19 Cb 0.75 -0.02 -0.14 0.00 -0.02 0.00 0.00 35.03 35.60 1f04 n LYS 19 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1f04 s SER 20 N -5.04 0.05 -0.99 4.39 1.04 -1.26 -5.03 113.70 106.86 1f04 s SER 20 Ca 0.00 0.40 -0.20 0.00 0.48 0.00 0.00 55.95 56.63 1f04 s SER 20 Cb 0.00 0.32 0.10 0.00 0.10 0.00 0.00 66.02 66.54 1f04 s SER 20 CO 0.00 -0.18 1.28 -0.89 0.98 0.00 0.00 173.24 174.43 1f04 s THR 21 N 1.53 4.43 0.63 2.02 2.01 -1.26 -2.62 115.64 122.38 1f04 s THR 21 Ca -0.06 -1.34 0.06 0.00 0.31 0.00 0.00 61.69 60.66 1f04 s THR 21 Cb -0.11 -4.90 0.10 0.00 0.01 0.00 0.00 72.50 67.60 1f04 s THR 21 CO -0.07 -1.69 0.87 0.26 -0.69 0.00 0.00 174.62 173.30 1f04 s TRP 22 N 3.51 1.39 0.00 4.92 0.52 -0.99 -2.43 118.94 125.87 1f04 s TRP 22 Ca 0.39 -0.60 0.00 0.00 0.02 0.00 0.00 56.10 55.91 1f04 s TRP 22 Cb -0.03 -2.46 0.00 0.00 -1.15 0.00 0.00 33.47 29.83 1f04 s TRP 22 CO -0.09 -1.37 0.00 1.47 0.02 0.00 0.00 176.95 176.98 1f04 n LEU 23 N -2.45 0.00 -4.29 2.99 -0.00 -1.23 -0.12 117.00 111.89 1f04 n LEU 23 Ca 0.16 0.00 -0.34 0.00 -0.00 0.00 0.00 56.01 55.83 1f04 n LEU 23 Cb 0.61 0.00 -0.15 0.00 -0.00 0.00 0.00 43.42 43.89 1f04 n LEU 23 CO 0.41 0.00 -0.44 -0.63 -0.00 0.00 0.00 177.39 176.73 1f04 s ILE 24 N -2.00 2.98 -0.35 1.47 1.01 -1.06 -3.22 121.20 120.04 1f04 s ILE 24 Ca 0.00 -0.65 0.02 0.00 0.00 0.00 0.00 60.65 60.02 1f04 s ILE 24 Cb 0.00 -2.30 0.10 0.00 0.01 0.00 0.00 42.46 40.27 1f04 s ILE 24 CO 0.00 0.48 0.10 -0.76 0.00 0.00 0.00 174.94 174.76 1f04 s LEU 25 N 1.05 3.54 -1.05 2.97 1.02 -0.39 -1.59 118.68 124.23 1f04 s LEU 25 Ca -0.00 -2.04 -0.03 0.00 0.02 0.00 0.00 54.13 52.08 1f04 s LEU 25 Cb -0.15 -1.27 -0.03 0.00 0.02 0.00 0.00 46.19 44.76 1f04 s LEU 25 CO -0.02 -0.38 0.90 1.41 0.02 0.00 0.00 176.35 178.28 1f04 n HIS 26 N 4.36 -2.17 -1.83 0.29 8.25 -1.26 -2.69 115.22 120.17 1f04 n HIS 26 Ca 0.02 0.84 -0.20 0.00 -0.26 0.00 0.00 57.72 58.12 1f04 n HIS 26 Cb 0.41 -4.47 -0.06 0.00 1.12 0.00 0.00 29.99 26.99 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 -3.53 -0.29 -4.60 4.41 4.01 -1.26 -4.97 117.16 110.92 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 0.64 -3.54 -0.16 0.00 -0.31 0.00 0.00 39.34 35.97 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 -4.11 1.45 -0.13 -0.72 1.02 -1.10 -0.48 119.74 115.67 1f04 s LYS 28 Ca 0.00 -0.44 -0.12 0.00 0.02 0.00 0.00 55.97 55.42 1f04 s LYS 28 Cb 0.00 -1.27 -0.05 0.00 -0.52 0.00 0.00 37.83 36.00 1f04 s LYS 28 CO 0.00 0.14 0.27 0.08 -0.92 0.00 0.00 175.35 174.92 1f04 s VAL 29 N 0.26 5.30 -0.11 3.17 1.01 -1.04 -1.26 120.40 127.73 1f04 s VAL 29 Ca -0.06 0.51 0.00 0.00 0.00 0.00 0.00 61.98 62.42 1f04 s VAL 29 Cb -0.12 -3.59 0.02 0.00 0.00 0.00 0.00 36.38 32.70 1f04 s VAL 29 CO 0.02 0.47 -0.09 -0.31 0.00 0.00 0.00 175.10 175.19 1f04 s TYR 30 N -0.13 1.56 -0.20 5.22 2.02 -1.20 -1.81 117.35 122.81 1f04 s TYR 30 Ca 0.17 -0.76 -0.24 0.00 -0.37 0.00 0.00 57.07 55.87 1f04 s TYR 30 Cb -0.13 -1.25 -0.01 0.00 -0.40 0.00 0.00 41.96 40.16 1f04 s TYR 30 CO 0.05 -0.49 0.78 0.34 -1.57 0.00 0.00 175.55 174.66 1f04 s ASP 31 N 1.49 6.84 -0.14 2.29 -1.08 -1.24 -3.58 116.67 121.25 1f04 s ASP 31 Ca 0.01 1.03 0.15 0.00 -0.52 0.00 0.00 52.55 53.22 1f04 s ASP 31 Cb -0.13 -2.42 0.33 0.00 -1.46 0.00 0.00 42.92 39.24 1f04 s ASP 31 CO -0.06 -0.41 1.17 0.18 0.52 0.00 0.00 175.17 176.57 1f04 n LEU 32 N 5.47 2.20 -0.13 -1.34 4.77 -1.02 -4.88 117.00 122.07 1f04 n LEU 32 Ca 0.03 -3.17 -0.07 0.00 -0.03 0.00 0.00 56.01 52.78 1f04 n LEU 32 Cb 0.49 -0.40 0.10 0.00 -2.33 0.00 0.00 43.42 41.27 1f04 n LEU 32 CO 0.47 0.94 0.80 0.00 -1.33 0.00 0.00 177.39 178.27 1f04 h THR 33 N 1.54 1.26 -0.36 -5.08 1.03 -1.91 0.11 112.91 109.51 1f04 h THR 33 Ca -0.02 -1.17 -0.15 0.00 -0.01 0.00 0.00 66.41 65.06 1f04 h THR 33 Cb 1.10 0.98 -0.09 0.00 -1.07 0.00 0.00 68.15 69.08 1f04 h THR 33 CO 0.01 0.41 0.19 1.17 -0.01 0.00 0.00 175.52 177.28 1f04 n LYS 34 N -4.16 1.87 -0.19 0.00 4.81 -1.26 -3.68 118.16 115.54 1f04 n LYS 34 Ca 0.02 -1.26 0.01 0.00 -0.87 0.00 0.00 58.31 56.20 1f04 n LYS 34 Cb 0.36 -1.59 0.01 0.00 0.02 0.00 0.00 35.03 33.83 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 -0.04 0.00 0.27 5.64 7.35 0.38 -4.84 117.46 126.21 1f04 n PHE 35 Ca 0.21 -0.10 -0.11 0.00 -0.76 0.00 0.00 57.45 56.69 1f04 n PHE 35 Cb 0.88 -0.03 -0.05 0.00 0.35 0.00 0.00 39.48 40.63 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 -0.59 -1.62 -2.13 3.38 -1.60 0.35 115.31 113.10 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 1.11 0.15 -0.01 0.00 0.09 0.00 0.00 40.66 42.00 1f04 h LEU 36 CO 0.00 -0.34 0.12 -0.33 0.09 0.00 0.00 178.44 177.97 1f04 h GLU 37 N -0.87 0.37 -0.46 1.13 5.08 -1.92 -2.74 114.58 115.18 1f04 h GLU 37 Ca -0.07 -0.04 -0.12 0.00 -1.00 0.00 0.00 59.36 58.13 1f04 h GLU 37 Cb 0.54 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 1f04 h GLU 37 CO 0.12 0.30 -0.17 0.93 -1.00 0.00 0.00 179.01 179.19 1f04 h GLU 38 N 0.37 0.93 -6.14 2.33 4.39 -1.86 -3.44 114.58 111.16 1f04 h GLU 38 Ca 0.10 -0.38 -0.58 0.00 0.34 0.00 0.00 59.36 58.83 1f04 h GLU 38 Cb 0.06 -0.04 0.01 0.00 -0.10 0.00 0.00 28.75 28.68 1f04 h GLU 38 CO -0.01 1.04 1.37 1.58 -1.16 0.00 0.00 179.01 181.83 1f04 n HIS 39 N -4.19 2.16 0.98 4.33 -0.00 0.12 -4.84 115.22 113.78 1f04 n HIS 39 Ca -0.00 -0.18 0.09 0.00 0.46 0.00 0.00 57.72 58.09 1f04 n HIS 39 Cb 0.42 -2.74 0.49 0.00 -0.12 0.00 0.00 29.99 28.05 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 8.12 0.39 0.00 1.57 -0.04 -1.26 -4.16 135.00 139.62 1f04 n PRO 40 Ca 0.27 0.07 0.00 0.00 -0.04 0.00 0.00 63.50 63.79 1f04 n PRO 40 Cb 0.41 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.37 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 0.19 1.64 2.92 0.55 0.00 -1.26 -5.06 105.19 104.18 1f04 n GLY 41 Ca 0.11 -0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.92 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 0.48 0.15 -0.02 0.00 -1.26 -5.02 107.32 101.64 1f04 s GLY 42 Ca 0.00 -0.13 -0.15 0.00 0.00 0.00 0.00 44.72 44.44 1f04 s GLY 42 CO 0.00 0.30 1.72 1.05 0.00 0.00 0.00 173.10 176.17 1f04 h GLU 43 N 6.99 0.65 -0.07 2.90 -0.00 -1.80 -2.00 114.58 121.24 1f04 h GLU 43 Ca -0.37 -0.10 0.04 0.00 -0.00 0.00 0.00 59.36 58.93 1f04 h GLU 43 Cb 1.16 -0.11 -0.05 0.00 -0.00 0.00 0.00 28.75 29.75 1f04 h GLU 43 CO 0.48 0.56 -0.24 0.00 -0.00 0.00 0.00 179.01 179.81 1f04 h ALA 44 N 1.05 -0.27 -0.60 1.06 0.00 -1.95 0.23 119.26 118.78 1f04 h ALA 44 Ca 0.15 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1f04 h ALA 44 Cb 0.13 0.45 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 1f04 h ALA 44 CO -0.02 -0.72 0.39 -0.24 0.00 0.00 0.00 179.25 178.66 1f04 h VAL 45 N -0.34 1.16 -0.65 0.00 3.04 -1.98 0.21 116.25 117.70 1f04 h VAL 45 Ca 0.08 -0.31 0.12 0.00 -1.01 0.00 0.00 66.70 65.59 1f04 h VAL 45 Cb 0.46 0.30 -0.09 0.00 -2.01 0.00 0.00 31.29 29.95 1f04 h VAL 45 CO -0.27 0.16 0.17 -0.07 -1.01 0.00 0.00 177.57 176.55 1f04 h LEU 46 N 0.81 0.06 -0.28 3.16 4.07 -0.44 -0.60 115.31 122.09 1f04 h LEU 46 Ca 0.22 0.12 -0.13 0.00 0.08 0.00 0.00 57.88 58.16 1f04 h LEU 46 Cb -0.07 0.15 -0.00 0.00 1.08 0.00 0.00 40.66 41.81 1f04 h LEU 46 CO -0.05 0.02 -0.35 -0.09 -1.08 0.00 0.00 178.44 176.90 1f04 h ARG 47 N 0.30 0.72 -0.03 1.13 9.65 0.36 -1.08 114.38 125.43 1f04 h ARG 47 Ca 0.35 -0.41 -0.00 0.00 -1.10 0.00 0.00 59.98 58.82 1f04 h ARG 47 Cb 0.53 0.03 -0.00 0.00 -1.39 0.00 0.00 29.97 29.14 1f04 h ARG 47 CO -0.42 1.03 0.01 0.00 2.80 0.00 0.00 179.97 183.39 1f04 h ALA 48 N 0.68 0.04 0.00 2.80 0.00 -0.23 -2.26 119.26 120.29 1f04 h ALA 48 Ca 0.03 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1f04 h ALA 48 Cb 0.93 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1f04 h ALA 48 CO 0.08 -0.40 0.00 1.04 0.00 0.00 0.00 179.25 179.97 1f04 n GLN 49 N -5.01 0.09 -1.69 0.00 3.00 -0.26 -4.87 117.38 108.63 1f04 n GLN 49 Ca -0.07 0.22 -0.39 0.00 -0.01 0.00 0.00 57.00 56.74 1f04 n GLN 49 Cb 0.09 -1.64 0.03 0.00 0.00 0.00 0.00 30.24 28.72 1f04 n GLN 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1f04 n ALA 50 N -1.61 1.09 -3.89 -1.58 0.00 -0.41 -3.15 120.51 110.95 1f04 n ALA 50 Ca 0.04 0.15 -0.39 0.00 0.00 0.00 0.00 53.44 53.25 1f04 n ALA 50 Cb 0.28 -2.26 0.03 0.00 0.00 0.00 0.00 19.45 17.50 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 0.92 -0.87 3.81 0.00 0.00 0.82 -4.78 105.19 105.10 1f04 n GLY 51 Ca 0.10 0.38 -0.05 0.00 0.00 0.00 0.00 46.02 46.45 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 -3.55 -0.03 -0.38 -0.02 0.00 -1.19 -4.49 107.32 97.67 1f04 s GLY 52 Ca 0.46 -0.23 -0.27 0.00 0.00 0.00 0.00 44.72 44.68 1f04 s GLY 52 CO 0.92 0.31 2.05 0.51 0.00 0.00 0.00 173.10 176.88 1f04 s ASP 53 N -3.03 5.38 0.00 1.64 -4.77 -1.26 -2.56 116.67 112.06 1f04 s ASP 53 Ca 0.14 1.26 0.15 0.00 -3.30 0.00 0.00 52.55 50.80 1f04 s ASP 53 Cb -0.04 -2.52 0.17 0.00 -1.09 0.00 0.00 42.92 39.45 1f04 s ASP 53 CO 0.06 -2.13 1.04 0.00 0.70 0.00 0.00 175.17 174.85 1f04 n ALA 54 N 12.21 2.44 0.11 2.11 0.00 -0.62 -4.71 120.51 132.05 1f04 n ALA 54 Ca 0.27 -0.72 -0.13 0.00 0.00 0.00 0.00 53.44 52.86 1f04 n ALA 54 Cb 0.49 -0.53 -0.06 0.00 0.00 0.00 0.00 19.45 19.35 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 2.95 0.36 -0.28 0.00 2.02 -1.76 0.23 112.91 116.43 1f04 h THR 55 Ca 0.00 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.22 1f04 h THR 55 Cb 0.67 0.36 -0.04 0.00 -1.74 0.00 0.00 68.15 67.39 1f04 h THR 55 CO 0.00 0.00 0.03 0.00 0.37 0.00 0.00 175.52 175.92 1f04 h ALA 56 N 0.18 0.28 -0.34 6.16 0.00 -1.90 -0.76 119.26 122.88 1f04 h ALA 56 Ca 0.03 0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 1f04 h ALA 56 Cb 0.54 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1f04 h ALA 56 CO -0.18 -0.38 -0.02 -0.91 0.00 0.00 0.00 179.25 177.76 1f04 h ASN 57 N 0.13 0.61 0.27 0.00 4.21 -1.70 0.21 115.58 119.30 1f04 h ASN 57 Ca 0.13 -0.33 0.00 0.00 1.21 0.00 0.00 56.30 57.32 1f04 h ASN 57 Cb 0.15 -0.16 -0.04 0.00 -1.12 0.00 0.00 38.32 37.15 1f04 h ASN 57 CO -0.19 0.79 -0.48 0.15 -1.29 0.00 0.00 177.43 176.40 1f04 h PHE 58 N 0.41 -1.36 -0.50 1.19 3.57 -0.45 -2.82 116.94 116.99 1f04 h PHE 58 Ca 0.09 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.63 1f04 h PHE 58 Cb 0.49 0.56 -0.03 0.00 2.79 0.00 0.00 35.95 39.76 1f04 h PHE 58 CO 0.04 -0.60 0.33 0.93 -2.23 0.00 0.00 178.31 176.79 1f04 h GLU 59 N -0.82 0.62 -0.95 1.11 4.39 -0.89 -1.33 114.58 116.71 1f04 h GLU 59 Ca -0.02 -0.04 0.24 0.00 0.34 0.00 0.00 59.36 59.88 1f04 h GLU 59 Cb 0.78 -0.14 -0.07 0.00 -0.10 0.00 0.00 28.75 29.22 1f04 h GLU 59 CO -0.18 0.41 0.64 0.00 -1.16 0.00 0.00 179.01 178.71 1f04 h ALA 60 N 1.70 2.38 -2.27 3.43 0.00 -0.33 -1.63 119.26 122.53 1f04 h ALA 60 Ca 0.19 0.02 -0.70 0.00 0.00 0.00 0.00 54.91 54.42 1f04 h ALA 60 Cb -0.00 0.01 -0.35 0.00 0.00 0.00 0.00 17.79 17.44 1f04 h ALA 60 CO -0.05 -0.69 0.03 1.33 0.00 0.00 0.00 179.25 179.87 1f04 n VAL 61 N -4.47 3.59 -1.28 0.00 0.24 -0.50 -5.05 118.33 110.85 1f04 n VAL 61 Ca 0.21 -5.45 -0.55 0.00 -2.04 0.00 0.00 64.34 56.51 1f04 n VAL 61 Cb 0.82 -2.17 -0.12 0.00 -1.47 0.00 0.00 33.84 30.89 1f04 n VAL 61 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1f04 n GLY 62 N 1.40 -0.22 3.90 7.63 0.00 -0.62 -4.93 105.19 112.36 1f04 n GLY 62 Ca 0.26 1.11 -0.28 0.00 0.00 0.00 0.00 46.02 47.11 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 6.53 3.23 0.87 1.61 3.76 -1.26 -5.09 115.29 124.93 1f04 s HIS 63 Ca 1.21 0.81 -0.13 0.00 -0.15 0.00 0.00 55.06 56.80 1f04 s HIS 63 Cb -1.42 -2.99 0.12 0.00 1.11 0.00 0.00 32.58 29.41 1f04 s HIS 63 CO 0.61 -1.11 1.22 -1.54 -0.85 0.00 0.00 174.74 173.08 1f04 s SER 64 N -4.37 4.00 0.15 1.40 1.04 -1.26 -4.84 113.70 109.82 1f04 s SER 64 Ca 0.57 0.62 -0.18 0.00 0.48 0.00 0.00 55.95 57.44 1f04 s SER 64 Cb -0.11 -0.96 0.05 0.00 0.10 0.00 0.00 66.02 65.10 1f04 s SER 64 CO 0.48 -2.21 1.68 0.74 0.98 0.00 0.00 173.24 174.91 1f04 h THR 65 N -1.27 0.68 -0.55 2.02 2.02 -1.98 0.69 112.91 114.51 1f04 h THR 65 Ca -0.46 -0.00 0.10 0.00 0.77 0.00 0.00 66.41 66.82 1f04 h THR 65 Cb 1.30 0.68 -0.08 0.00 -1.74 0.00 0.00 68.15 68.31 1f04 h THR 65 CO 0.57 0.00 0.12 -0.78 0.37 0.00 0.00 175.52 175.80 1f04 h ASP 66 N 0.00 0.03 0.02 4.18 3.58 -1.99 0.11 116.42 122.35 1f04 h ASP 66 Ca 0.16 0.10 -0.00 0.00 0.42 0.00 0.00 57.03 57.70 1f04 h ASP 66 Cb 0.24 0.13 0.00 0.00 1.72 0.00 0.00 39.33 41.41 1f04 h ASP 66 CO -0.33 0.03 -0.01 0.00 -2.88 0.00 0.00 179.24 176.05 1f04 h ALA 67 N 1.43 -0.02 -0.92 -0.78 0.00 -1.84 0.22 119.26 117.34 1f04 h ALA 67 Ca 0.28 -0.05 0.17 0.00 0.00 0.00 0.00 54.91 55.31 1f04 h ALA 67 Cb 0.39 0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.11 1f04 h ALA 67 CO -0.35 -0.46 0.59 0.00 0.00 0.00 0.00 179.25 179.03 1f04 h ARG 68 N -0.12 0.61 0.04 0.00 3.08 0.63 0.11 114.38 118.72 1f04 h ARG 68 Ca -0.00 -0.04 -0.07 0.00 0.07 0.00 0.00 59.98 59.94 1f04 h ARG 68 Cb 0.12 -0.14 0.01 0.00 0.08 0.00 0.00 29.97 30.04 1f04 h ARG 68 CO 0.00 0.40 -0.28 0.93 -1.07 0.00 0.00 179.97 179.95 1f04 h GLU 69 N 0.62 0.13 -0.23 0.04 4.39 -0.58 -3.20 114.58 115.75 1f04 h GLU 69 Ca 0.48 -0.19 0.06 0.00 0.34 0.00 0.00 59.36 60.06 1f04 h GLU 69 Cb 0.90 0.06 -0.07 0.00 -0.10 0.00 0.00 28.75 29.54 1f04 h GLU 69 CO -0.23 1.03 -0.31 1.25 -1.16 0.00 0.00 179.01 179.58 1f04 h LEU 70 N -0.68 -1.00 -0.76 1.33 5.85 0.12 -0.43 115.31 119.73 1f04 h LEU 70 Ca -0.05 0.16 0.12 0.00 0.84 0.00 0.00 57.88 58.95 1f04 h LEU 70 Cb 1.15 0.45 -0.13 0.00 0.37 0.00 0.00 40.66 42.50 1f04 h LEU 70 CO 0.05 -0.34 -0.38 0.28 -0.34 0.00 0.00 178.44 177.71 1f04 h SER 71 N -0.33 -1.37 -0.83 1.25 0.02 -0.93 0.17 113.55 111.52 1f04 h SER 71 Ca 0.12 0.27 0.07 0.00 -0.84 0.00 0.00 61.79 61.41 1f04 h SER 71 Cb 0.53 0.68 -0.06 0.00 0.14 0.00 0.00 62.40 63.69 1f04 h SER 71 CO -0.42 -0.30 0.50 0.11 -1.14 0.00 0.00 176.83 175.59 1f04 h LYS 72 N -0.10 0.87 -0.10 3.45 1.57 -1.13 0.31 116.57 121.44 1f04 h LYS 72 Ca 0.26 -0.05 0.03 0.00 -1.87 0.00 0.00 60.65 59.02 1f04 h LYS 72 Cb 0.56 -0.20 -0.00 0.00 0.08 0.00 0.00 32.23 32.67 1f04 h LYS 72 CO -0.81 0.58 0.14 1.15 -0.57 0.00 0.00 179.45 179.94 1f04 h THR 73 N 0.90 0.35 -0.05 -0.16 2.02 0.56 0.20 112.91 116.73 1f04 h THR 73 Ca 0.38 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.56 1f04 h THR 73 Cb 0.23 0.88 0.00 0.00 -1.74 0.00 0.00 68.15 67.52 1f04 h THR 73 CO -0.19 0.00 0.00 0.49 0.37 0.00 0.00 175.52 176.19 1f04 n PHE 74 N -3.60 0.03 -1.73 3.16 3.01 0.90 -4.97 117.46 114.26 1f04 n PHE 74 Ca -0.00 -0.02 -0.42 0.00 1.01 0.00 0.00 57.45 58.02 1f04 n PHE 74 Cb 0.24 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.68 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 -1.97 2.34 -0.25 4.37 2.07 0.06 -3.59 121.20 124.23 1f04 s ILE 75 Ca 0.30 0.06 0.22 0.00 -1.41 0.00 0.00 60.65 59.82 1f04 s ILE 75 Cb 0.20 -3.04 -0.28 0.00 0.13 0.00 0.00 42.46 39.47 1f04 s ILE 75 CO 0.30 0.00 0.63 2.30 -1.91 0.00 0.00 174.94 176.27 1f04 n ILE 76 N 4.41 0.06 -2.42 2.00 -5.35 -0.75 -4.97 119.36 112.34 1f04 n ILE 76 Ca 0.17 -0.40 0.00 0.00 -0.27 0.00 0.00 62.75 62.25 1f04 n ILE 76 Cb 0.37 0.16 0.00 0.00 -1.74 0.00 0.00 39.64 38.43 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 1.30 -0.52 3.58 3.28 0.00 -1.23 -4.56 105.19 107.04 1f04 n GLY 77 Ca -0.02 -0.89 -0.27 0.00 0.00 0.00 0.00 46.02 44.84 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 -1.60 1.90 0.14 1.61 2.02 -0.78 -2.50 118.70 119.49 1f04 s GLU 78 Ca 0.00 -2.10 -0.30 0.00 0.02 0.00 0.00 54.97 52.59 1f04 s GLU 78 Cb 0.00 -1.35 -0.07 0.00 0.10 0.00 0.00 34.13 32.81 1f04 s GLU 78 CO 0.00 -0.15 1.10 -1.17 0.02 0.00 0.00 175.26 175.06 1f04 s LEU 79 N -3.66 4.46 0.28 1.80 2.96 0.36 -1.92 118.68 122.96 1f04 s LEU 79 Ca 0.31 2.03 -0.29 0.00 -0.22 0.00 0.00 54.13 55.96 1f04 s LEU 79 Cb 0.08 -3.60 -0.14 0.00 0.50 0.00 0.00 46.19 43.04 1f04 s LEU 79 CO 0.15 -0.25 1.11 1.57 -1.32 0.00 0.00 176.35 177.61 1f04 n HIS 80 N 2.74 1.53 0.30 5.38 -0.00 -0.24 -4.78 115.22 120.15 1f04 n HIS 80 Ca 0.04 0.65 0.14 0.00 -0.00 0.00 0.00 57.72 58.55 1f04 n HIS 80 Cb 0.47 -2.30 0.65 0.00 -0.00 0.00 0.00 29.99 28.81 1f04 n HIS 80 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 1f04 h PRO 81 N 2.45 0.00 0.00 1.57 0.13 -1.94 -2.28 132.00 131.92 1f04 h PRO 81 Ca -0.42 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.71 1f04 h PRO 81 Cb 1.32 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.45 1f04 h PRO 81 CO 0.63 0.00 -0.01 0.38 -0.23 0.00 0.00 178.00 178.77 1f04 h ASP 82 N 0.00 0.00 0.12 1.44 2.03 -1.97 -3.19 116.42 114.85 1f04 h ASP 82 Ca 0.00 0.00 -0.21 0.00 -0.73 0.00 0.00 57.03 56.09 1f04 h ASP 82 Cb 0.24 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.74 1f04 h ASP 82 CO 0.00 0.01 -0.82 -0.78 -1.03 0.00 0.00 179.24 176.62 1f04 h ASP 83 N 0.00 0.68 0.00 4.15 1.82 -1.77 -3.52 116.42 117.79 1f04 h ASP 83 Ca -0.00 -0.48 0.00 0.00 -0.39 0.00 0.00 57.03 56.16 1f04 h ASP 83 Cb 0.84 -0.20 0.00 0.00 0.68 0.00 0.00 39.33 40.64 1f04 h ASP 83 CO 0.00 1.25 0.00 -1.14 -1.61 0.00 0.00 179.24 177.74