#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 2.07 -0.28 0.00 0.11 -1.26 -5.00 120.40 116.04 1f04 s VAL 4 Ca 0.00 0.06 0.02 0.00 -2.93 0.00 0.00 61.98 59.14 1f04 s VAL 4 Cb 0.00 -3.04 0.08 0.00 -1.53 0.00 0.00 36.38 31.88 1f04 s VAL 4 CO 0.00 0.01 -0.03 -0.75 -3.33 0.00 0.00 175.10 171.01 1f04 s LYS 5 N -1.50 1.67 0.70 1.54 2.47 -1.26 -5.08 119.74 118.28 1f04 s LYS 5 Ca 0.57 -1.35 -0.14 0.00 -1.56 0.00 0.00 55.97 53.48 1f04 s LYS 5 Cb -0.47 -2.79 0.02 0.00 -1.46 0.00 0.00 37.83 33.13 1f04 s LYS 5 CO 0.57 -0.72 1.14 0.71 0.16 0.00 0.00 175.35 177.21 1f04 s TYR 6 N 1.19 2.38 -0.00 4.03 2.02 -1.26 -4.52 117.35 121.19 1f04 s TYR 6 Ca -0.01 1.58 0.08 0.00 -0.37 0.00 0.00 57.07 58.35 1f04 s TYR 6 Cb -0.19 -3.27 -0.02 0.00 -0.40 0.00 0.00 41.96 38.08 1f04 s TYR 6 CO -0.08 -2.05 -0.25 0.71 -1.57 0.00 0.00 175.55 172.31 1f04 s TYR 7 N -2.27 2.37 0.60 2.71 2.02 -0.52 -4.76 117.35 117.49 1f04 s TYR 7 Ca 0.69 -0.40 -0.15 0.00 -0.37 0.00 0.00 57.07 56.84 1f04 s TYR 7 Cb -0.23 -1.48 -0.04 0.00 -0.40 0.00 0.00 41.96 39.81 1f04 s TYR 7 CO 0.44 0.04 1.05 0.95 -1.57 0.00 0.00 175.55 176.47 1f04 s THR 8 N -0.69 3.87 0.25 -0.71 -4.23 -1.26 -0.43 115.64 112.44 1f04 s THR 8 Ca 0.11 0.87 -0.03 0.00 -1.18 0.00 0.00 61.69 61.46 1f04 s THR 8 Cb -0.10 -3.40 0.23 0.00 1.34 0.00 0.00 72.50 70.56 1f04 s THR 8 CO 0.00 -0.54 1.74 0.25 -0.54 0.00 0.00 174.62 175.53 1f04 h LEU 9 N 0.39 0.37 0.13 4.79 6.46 -1.96 -1.10 115.31 124.39 1f04 h LEU 9 Ca -0.47 0.10 0.00 0.00 -0.12 0.00 0.00 57.88 57.40 1f04 h LEU 9 Cb 1.22 0.06 -0.03 0.00 -0.73 0.00 0.00 40.66 41.18 1f04 h LEU 9 CO 0.58 0.14 -0.34 -0.08 -0.62 0.00 0.00 178.44 178.12 1f04 h GLU 10 N 0.51 -0.50 -0.53 1.25 4.57 -1.93 0.23 114.58 118.17 1f04 h GLU 10 Ca 0.43 0.03 0.11 0.00 -1.18 0.00 0.00 59.36 58.75 1f04 h GLU 10 Cb 0.65 0.11 -0.09 0.00 -0.16 0.00 0.00 28.75 29.26 1f04 h GLU 10 CO -0.39 -0.34 -0.01 0.93 -1.18 0.00 0.00 179.01 178.02 1f04 h GLU 11 N -0.52 0.10 -0.41 1.92 3.07 -1.84 -0.21 114.58 116.70 1f04 h GLU 11 Ca -0.01 -0.01 0.01 0.00 -0.50 0.00 0.00 59.36 58.85 1f04 h GLU 11 Cb 0.51 -0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 28.37 1f04 h GLU 11 CO -0.16 0.07 0.25 0.82 -1.40 0.00 0.00 179.01 178.59 1f04 h ILE 12 N 0.10 1.07 -1.01 3.13 1.08 -0.94 -2.29 117.51 118.66 1f04 h ILE 12 Ca 0.27 -0.18 0.15 0.00 -0.39 0.00 0.00 64.86 64.72 1f04 h ILE 12 Cb 0.42 0.51 -0.09 0.00 -3.07 0.00 0.00 36.82 34.58 1f04 h ILE 12 CO -0.46 0.09 0.62 1.56 -0.69 0.00 0.00 178.15 179.28 1f04 h GLN 13 N 0.51 0.87 -0.35 2.37 1.08 0.10 -0.46 115.11 119.24 1f04 h GLN 13 Ca 0.16 -0.05 0.10 0.00 -1.45 0.00 0.00 58.65 57.41 1f04 h GLN 13 Cb -0.02 -0.20 -0.01 0.00 -0.05 0.00 0.00 27.48 27.20 1f04 h GLN 13 CO -0.06 0.57 0.28 0.87 -0.95 0.00 0.00 178.83 179.54 1f04 h LYS 14 N 0.89 0.00 -2.66 1.46 1.57 -0.50 -3.09 116.57 114.25 1f04 h LYS 14 Ca 0.54 0.00 -0.79 0.00 -1.87 0.00 0.00 60.65 58.52 1f04 h LYS 14 Cb 0.67 0.00 -0.24 0.00 0.08 0.00 0.00 32.23 32.75 1f04 h LYS 14 CO -0.32 0.00 1.30 0.72 -0.57 0.00 0.00 179.45 180.58 1f04 n HIS 15 N -4.22 2.58 -0.11 -1.35 8.25 -0.18 -4.52 115.22 115.67 1f04 n HIS 15 Ca 0.05 -2.63 0.00 0.00 -0.26 0.00 0.00 57.72 54.89 1f04 n HIS 15 Cb 0.45 -1.41 0.00 0.00 1.12 0.00 0.00 29.99 30.16 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 1.12 1.49 -3.60 0.41 0.23 -1.11 -1.00 115.26 112.79 1f04 n ASN 16 Ca 0.42 -1.60 -0.06 0.00 -0.53 0.00 0.00 54.58 52.81 1f04 n ASN 16 Cb 0.29 0.00 -0.01 0.00 -2.08 0.00 0.00 39.78 37.99 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 -0.60 -0.15 0.00 0.53 3.84 -0.70 -4.83 114.94 113.02 1f04 s ASN 17 Ca 0.00 -0.64 0.00 0.00 0.21 0.00 0.00 52.86 52.43 1f04 s ASN 17 Cb 0.00 0.64 0.00 0.00 -0.55 0.00 0.00 41.25 41.34 1f04 s ASN 17 CO 0.00 -1.21 0.00 -0.24 -2.79 0.00 0.00 177.10 172.86 1f04 n SER 18 N -0.72 0.00 0.00 -4.21 2.88 -1.26 -2.30 113.62 108.01 1f04 n SER 18 Ca -0.05 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.49 1f04 n SER 18 Cb 0.60 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.06 1f04 n SER 18 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1f04 n LYS 19 N 0.00 0.00 -1.53 -1.46 5.02 -1.26 -5.09 118.16 113.85 1f04 n LYS 19 Ca 0.00 0.00 -0.57 0.00 -2.02 0.00 0.00 58.31 55.72 1f04 n LYS 19 Cb 0.00 -0.16 -0.09 0.00 -0.02 0.00 0.00 35.03 34.77 1f04 n LYS 19 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1f04 n SER 20 N -2.11 1.78 -3.74 4.39 7.64 -0.97 -4.78 113.62 115.83 1f04 n SER 20 Ca 0.00 0.80 -0.28 0.00 1.01 0.00 0.00 58.87 60.40 1f04 n SER 20 Cb 0.00 -1.09 -0.12 0.00 -1.01 0.00 0.00 64.21 61.99 1f04 n SER 20 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1f04 s THR 21 N 5.17 1.88 0.35 0.44 2.01 -1.25 -1.73 115.64 122.51 1f04 s THR 21 Ca 1.08 -3.32 0.07 0.00 0.31 0.00 0.00 61.69 59.82 1f04 s THR 21 Cb -1.16 -2.27 -0.01 0.00 0.01 0.00 0.00 72.50 69.07 1f04 s THR 21 CO 0.63 -1.00 0.44 0.26 -0.69 0.00 0.00 174.62 174.26 1f04 s TRP 22 N -0.48 3.03 -0.01 4.92 0.52 -0.17 -2.71 118.94 124.04 1f04 s TRP 22 Ca 0.24 -0.26 -0.30 0.00 0.02 0.00 0.00 56.10 55.79 1f04 s TRP 22 Cb -0.11 -2.00 0.11 0.00 -1.15 0.00 0.00 33.47 30.32 1f04 s TRP 22 CO -0.11 -0.02 1.21 -0.48 0.02 0.00 0.00 176.95 177.57 1f04 s LEU 23 N -4.16 -0.10 -0.24 2.99 0.05 -1.18 -0.40 118.68 115.65 1f04 s LEU 23 Ca 0.45 -0.16 0.02 0.00 0.05 0.00 0.00 54.13 54.50 1f04 s LEU 23 Cb -0.09 1.54 0.05 0.00 -2.05 0.00 0.00 46.19 45.64 1f04 s LEU 23 CO 0.30 -0.40 -0.14 -0.63 -0.55 0.00 0.00 176.35 174.93 1f04 s ILE 24 N -2.60 2.15 -0.26 1.48 1.01 -1.26 -2.41 121.20 119.32 1f04 s ILE 24 Ca 0.13 -1.42 -0.02 0.00 0.00 0.00 0.00 60.65 59.34 1f04 s ILE 24 Cb 0.03 -2.15 0.02 0.00 0.01 0.00 0.00 42.46 40.37 1f04 s ILE 24 CO -0.03 0.15 -0.04 -0.76 0.00 0.00 0.00 174.94 174.26 1f04 s LEU 25 N 1.16 3.29 -1.30 2.97 1.02 -0.21 -2.72 118.68 122.90 1f04 s LEU 25 Ca -0.05 -0.86 -0.02 0.00 0.02 0.00 0.00 54.13 53.23 1f04 s LEU 25 Cb -0.18 -1.69 -0.00 0.00 0.02 0.00 0.00 46.19 44.33 1f04 s LEU 25 CO -0.07 -0.14 0.68 1.41 0.02 0.00 0.00 176.35 178.24 1f04 n HIS 26 N 4.69 -1.89 -1.48 0.29 8.25 -1.26 -0.91 115.22 122.91 1f04 n HIS 26 Ca -0.16 0.80 -0.17 0.00 -0.26 0.00 0.00 57.72 57.94 1f04 n HIS 26 Cb 0.47 -4.24 -0.07 0.00 1.12 0.00 0.00 29.99 27.27 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 -4.25 0.00 -5.06 4.41 4.01 -1.26 -4.97 117.16 110.05 1f04 n TYR 27 Ca -0.28 0.00 -0.32 0.00 -0.16 0.00 0.00 57.90 57.14 1f04 n TYR 27 Cb 0.67 -3.12 -0.16 0.00 -0.31 0.00 0.00 39.34 36.42 1f04 n TYR 27 CO 0.00 0.00 0.00 0.21 -0.46 0.00 0.00 176.86 176.61 1f04 s LYS 28 N -3.39 3.13 -0.14 -0.72 2.47 -0.09 -0.49 119.74 120.51 1f04 s LYS 28 Ca 0.00 -0.81 -0.16 0.00 -1.56 0.00 0.00 55.97 53.44 1f04 s LYS 28 Cb 0.00 -2.41 -0.04 0.00 -1.46 0.00 0.00 37.83 33.91 1f04 s LYS 28 CO 0.00 0.21 0.39 0.08 0.16 0.00 0.00 175.35 176.19 1f04 s VAL 29 N 0.29 5.24 -0.12 4.02 1.01 0.15 -1.05 120.40 129.95 1f04 s VAL 29 Ca -0.15 0.75 0.03 0.00 0.00 0.00 0.00 61.98 62.61 1f04 s VAL 29 Cb -0.17 -3.72 0.01 0.00 0.00 0.00 0.00 36.38 32.49 1f04 s VAL 29 CO 0.07 0.35 -0.21 -0.31 0.00 0.00 0.00 175.10 175.00 1f04 s TYR 30 N 0.61 2.46 -0.36 5.22 2.02 -1.01 -1.83 117.35 124.46 1f04 s TYR 30 Ca 0.21 -1.13 -0.15 0.00 -0.37 0.00 0.00 57.07 55.64 1f04 s TYR 30 Cb -0.14 -1.68 -0.01 0.00 -0.40 0.00 0.00 41.96 39.74 1f04 s TYR 30 CO 0.07 -0.50 0.32 0.34 -1.57 0.00 0.00 175.55 174.21 1f04 s ASP 31 N 0.64 6.14 -0.17 2.29 -1.08 -0.96 -3.10 116.67 120.43 1f04 s ASP 31 Ca -0.12 -0.40 0.15 0.00 -0.52 0.00 0.00 52.55 51.66 1f04 s ASP 31 Cb -0.16 -2.18 0.36 0.00 -1.46 0.00 0.00 42.92 39.48 1f04 s ASP 31 CO 0.03 -0.34 1.20 0.18 0.52 0.00 0.00 175.17 176.76 1f04 n LEU 32 N 5.29 2.64 -0.22 -1.34 4.32 -1.10 -4.81 117.00 121.78 1f04 n LEU 32 Ca -0.10 -3.45 0.02 0.00 -0.02 0.00 0.00 56.01 52.46 1f04 n LEU 32 Cb 0.49 -0.48 0.13 0.00 -1.62 0.00 0.00 43.42 41.94 1f04 n LEU 32 CO 0.40 1.02 0.92 0.74 -1.22 0.00 0.00 177.39 179.24 1f04 h THR 33 N 0.53 0.59 -0.37 -5.08 2.02 -1.86 0.15 112.91 108.89 1f04 h THR 33 Ca 0.01 -0.09 -0.00 0.00 0.77 0.00 0.00 66.41 67.10 1f04 h THR 33 Cb 1.05 0.31 -0.00 0.00 -1.74 0.00 0.00 68.15 67.76 1f04 h THR 33 CO 0.03 0.05 0.01 1.17 0.37 0.00 0.00 175.52 177.14 1f04 n LYS 34 N -5.15 3.47 0.00 6.66 4.81 -1.26 -3.67 118.16 123.02 1f04 n LYS 34 Ca 0.11 -2.01 0.00 0.00 -0.87 0.00 0.00 58.31 55.54 1f04 n LYS 34 Cb 0.37 -1.99 0.00 0.00 0.02 0.00 0.00 35.03 33.43 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 0.38 0.00 0.37 5.64 7.35 0.51 -4.81 117.46 126.91 1f04 n PHE 35 Ca 0.18 -0.32 -0.16 0.00 -0.76 0.00 0.00 57.45 56.39 1f04 n PHE 35 Cb 0.86 -0.03 -0.08 0.00 0.35 0.00 0.00 39.48 40.58 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 -0.98 -1.47 -2.13 3.38 -1.55 0.31 115.31 112.87 1f04 h LEU 36 Ca 0.00 0.05 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 1f04 h LEU 36 Cb 0.51 0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.52 1f04 h LEU 36 CO 0.00 -0.62 -0.09 -0.33 0.09 0.00 0.00 178.44 177.48 1f04 h GLU 37 N -1.01 0.23 -0.23 1.13 5.08 -1.89 -2.99 114.58 114.89 1f04 h GLU 37 Ca -0.09 -0.05 -0.11 0.00 -1.00 0.00 0.00 59.36 58.11 1f04 h GLU 37 Cb 0.80 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.01 1f04 h GLU 37 CO 0.12 0.34 -0.29 0.93 -1.00 0.00 0.00 179.01 179.10 1f04 h GLU 38 N 0.22 0.61 -6.03 2.33 4.39 -1.83 -3.44 114.58 110.83 1f04 h GLU 38 Ca 0.05 -0.34 -0.58 0.00 0.34 0.00 0.00 59.36 58.82 1f04 h GLU 38 Cb 0.31 0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 28.98 1f04 h GLU 38 CO 0.02 0.94 1.46 -1.58 -1.16 0.00 0.00 179.01 178.69 1f04 s HIS 39 N -4.26 1.23 0.42 4.33 2.46 0.11 -4.84 115.29 114.74 1f04 s HIS 39 Ca -0.13 0.49 0.40 0.00 0.47 0.00 0.00 55.06 56.29 1f04 s HIS 39 Cb 0.08 -3.96 1.97 0.00 -0.13 0.00 0.00 32.58 30.54 1f04 s HIS 39 CO 0.81 -4.07 2.21 -1.00 -2.47 0.00 0.00 174.74 170.22 1f04 h PRO 40 N 14.63 0.00 0.00 2.88 0.13 -1.88 -0.08 132.00 147.68 1f04 h PRO 40 Ca -0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 1f04 h PRO 40 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1f04 h PRO 40 CO 0.97 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 179.15 1f04 n GLY 41 N -0.60 -1.13 0.00 1.56 0.00 -1.26 -4.98 105.19 98.78 1f04 n GLY 41 Ca -0.01 0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.10 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 -0.34 2.96 0.11 -0.02 0.00 -0.04 -4.83 105.19 103.02 1f04 n GLY 42 Ca 0.01 -1.77 -0.19 0.00 0.00 0.00 0.00 46.02 44.07 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 0.00 0.21 0.04 1.61 9.09 -1.77 -3.33 114.58 120.43 1f04 h GLU 43 Ca 0.00 -0.37 0.03 0.00 0.05 0.00 0.00 59.36 59.07 1f04 h GLU 43 Cb 0.00 0.14 -0.04 0.00 -1.65 0.00 0.00 28.75 27.19 1f04 h GLU 43 CO 0.00 1.18 -0.29 0.00 0.05 0.00 0.00 179.01 179.95 1f04 h ALA 44 N -0.00 -0.43 -0.55 1.06 0.00 -1.92 0.17 119.26 117.58 1f04 h ALA 44 Ca -0.17 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 54.77 1f04 h ALA 44 Cb 1.54 0.49 -0.05 0.00 0.00 0.00 0.00 17.79 19.77 1f04 h ALA 44 CO 0.08 -0.80 0.27 -0.24 0.00 0.00 0.00 179.25 178.56 1f04 h VAL 45 N -0.46 0.94 -0.27 0.00 3.04 -1.88 0.18 116.25 117.79 1f04 h VAL 45 Ca 0.05 -0.18 0.02 0.00 -1.01 0.00 0.00 66.70 65.58 1f04 h VAL 45 Cb 0.52 0.36 -0.02 0.00 -2.01 0.00 0.00 31.29 30.14 1f04 h VAL 45 CO -0.22 0.10 0.12 -0.07 -1.01 0.00 0.00 177.57 176.48 1f04 h LEU 46 N 0.52 0.16 -0.87 3.16 3.38 -1.50 -0.73 115.31 119.44 1f04 h LEU 46 Ca 0.25 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.20 1f04 h LEU 46 Cb 0.17 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 40.88 1f04 h LEU 46 CO -0.18 0.13 0.33 -0.09 0.09 0.00 0.00 178.44 178.72 1f04 h ARG 47 N 0.25 1.15 -0.19 1.13 9.65 0.23 0.28 114.38 126.89 1f04 h ARG 47 Ca 0.11 -0.19 -0.02 0.00 -1.10 0.00 0.00 59.98 58.78 1f04 h ARG 47 Cb 0.06 -0.19 -0.01 0.00 -1.39 0.00 0.00 29.97 28.43 1f04 h ARG 47 CO -0.10 0.92 0.04 0.00 2.80 0.00 0.00 179.97 183.64 1f04 h ALA 48 N 1.23 0.26 0.00 2.80 0.00 -0.38 -3.00 119.26 120.16 1f04 h ALA 48 Ca 0.26 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1f04 h ALA 48 Cb 0.19 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1f04 h ALA 48 CO -0.03 -0.09 0.00 1.04 0.00 0.00 0.00 179.25 180.18 1f04 n GLN 49 N -4.77 0.20 -1.58 0.00 1.13 -0.31 -4.87 117.38 107.18 1f04 n GLN 49 Ca -0.04 0.17 -0.42 0.00 -1.94 0.00 0.00 57.00 54.77 1f04 n GLN 49 Cb 0.18 -1.73 0.01 0.00 0.11 0.00 0.00 30.24 28.80 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 -1.72 -0.17 0.00 -1.58 0.00 0.96 -3.55 120.51 114.45 1f04 n ALA 50 Ca 0.06 0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.74 1f04 n ALA 50 Cb 0.40 -2.02 0.00 0.00 0.00 0.00 0.00 19.45 17.83 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 1.29 0.94 0.00 0.00 0.00 0.47 -4.74 105.19 103.15 1f04 n GLY 51 Ca 0.10 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 0.93 4.21 -0.02 0.00 -1.23 -2.25 105.19 106.83 1f04 n GLY 52 Ca 0.00 -1.93 -0.31 0.00 0.00 0.00 0.00 46.02 43.78 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 3.00 0.14 -0.67 1.61 2.03 -1.26 -4.70 116.55 116.70 1f04 n ASP 53 Ca 0.00 -1.22 0.07 0.00 0.52 0.00 0.00 54.79 54.16 1f04 n ASP 53 Cb 0.00 -1.92 0.11 0.00 -0.72 0.00 0.00 41.12 38.59 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 -4.59 2.39 0.14 -1.67 0.00 -1.16 -4.67 120.51 110.94 1f04 n ALA 54 Ca -0.30 -0.82 -0.13 0.00 0.00 0.00 0.00 53.44 52.18 1f04 n ALA 54 Cb 0.68 -0.52 -0.06 0.00 0.00 0.00 0.00 19.45 19.56 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 2.75 0.54 -0.56 0.00 2.02 -1.85 0.14 112.91 115.96 1f04 h THR 55 Ca 0.00 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.23 1f04 h THR 55 Cb 0.67 0.54 -0.05 0.00 -1.74 0.00 0.00 68.15 67.57 1f04 h THR 55 CO 0.00 0.00 0.29 0.00 0.37 0.00 0.00 175.52 176.18 1f04 h ALA 56 N 0.31 0.73 0.04 6.16 0.00 -1.91 -0.81 119.26 123.78 1f04 h ALA 56 Ca 0.01 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1f04 h ALA 56 Cb 0.42 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1f04 h ALA 56 CO -0.07 -0.05 -0.02 -0.97 0.00 0.00 0.00 179.25 178.14 1f04 h ASN 57 N 0.56 -0.04 -0.38 0.00 -0.73 -1.76 0.23 115.58 113.45 1f04 h ASN 57 Ca 0.25 -0.19 0.08 0.00 1.87 0.00 0.00 56.30 58.31 1f04 h ASN 57 Cb 0.15 0.01 -0.08 0.00 0.27 0.00 0.00 38.32 38.67 1f04 h ASN 57 CO -0.17 0.16 -0.19 0.15 -0.37 0.00 0.00 177.43 177.02 1f04 h PHE 58 N -0.25 -0.48 -0.68 0.67 3.57 -0.47 -1.18 116.94 118.11 1f04 h PHE 58 Ca -0.01 0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.50 1f04 h PHE 58 Cb 0.23 0.27 -0.03 0.00 2.79 0.00 0.00 35.95 39.21 1f04 h PHE 58 CO -0.01 -0.27 0.29 0.93 -2.23 0.00 0.00 178.31 177.02 1f04 h GLU 59 N -0.13 1.00 -0.96 1.11 4.39 -1.00 -1.88 114.58 117.11 1f04 h GLU 59 Ca 0.19 -0.17 0.08 0.00 0.34 0.00 0.00 59.36 59.80 1f04 h GLU 59 Cb 0.42 -0.17 -0.07 0.00 -0.10 0.00 0.00 28.75 28.83 1f04 h GLU 59 CO -0.46 0.81 0.60 0.00 -1.16 0.00 0.00 179.01 178.81 1f04 h ALA 60 N 1.13 1.37 0.31 3.43 0.00 0.20 -1.13 119.26 124.57 1f04 h ALA 60 Ca 0.23 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 1f04 h ALA 60 Cb 0.17 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1f04 h ALA 60 CO -0.02 0.32 -0.15 0.28 0.00 0.00 0.00 179.25 179.68 1f04 h VAL 61 N 1.05 0.72 0.00 0.00 2.07 -0.97 -3.49 116.25 115.63 1f04 h VAL 61 Ca 0.44 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.72 1f04 h VAL 61 Cb 0.28 0.86 0.00 0.00 -1.52 0.00 0.00 31.29 30.91 1f04 h VAL 61 CO -0.21 0.05 0.00 0.61 0.02 0.00 0.00 177.57 178.04 1f04 n GLY 62 N -0.91 2.46 2.50 2.17 0.00 -0.43 -5.04 105.19 105.93 1f04 n GLY 62 Ca -0.10 -0.62 -0.05 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 -4.32 -0.74 1.61 8.25 -1.26 -4.76 115.22 114.00 1f04 n HIS 63 Ca 0.00 2.53 -0.30 0.00 -0.26 0.00 0.00 57.72 59.69 1f04 n HIS 63 Cb 0.00 -3.80 0.25 0.00 1.12 0.00 0.00 29.99 27.56 1f04 n HIS 63 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1f04 s SER 64 N -0.62 0.46 0.20 0.41 0.15 -1.26 -4.52 113.70 108.52 1f04 s SER 64 Ca -0.25 0.96 -0.11 0.00 0.70 0.00 0.00 55.95 57.26 1f04 s SER 64 Cb 0.02 -1.43 0.26 0.00 -1.71 0.00 0.00 66.02 63.15 1f04 s SER 64 CO 0.66 -4.44 1.69 0.74 1.20 0.00 0.00 173.24 173.10 1f04 h THR 65 N -2.79 0.62 -0.33 6.45 2.02 -1.98 0.94 112.91 117.84 1f04 h THR 65 Ca -0.50 -0.07 0.07 0.00 0.77 0.00 0.00 66.41 66.69 1f04 h THR 65 Cb 1.33 0.41 -0.08 0.00 -1.74 0.00 0.00 68.15 68.06 1f04 h THR 65 CO 0.39 0.04 -0.33 -0.78 0.37 0.00 0.00 175.52 175.21 1f04 h ASP 66 N 0.20 -1.07 -0.82 4.18 1.82 -1.99 0.30 116.42 119.03 1f04 h ASP 66 Ca 0.29 0.18 0.00 0.00 -0.39 0.00 0.00 57.03 57.11 1f04 h ASP 66 Cb 0.44 0.49 -0.04 0.00 0.68 0.00 0.00 39.33 40.90 1f04 h ASP 66 CO -0.42 -0.33 0.52 0.00 -1.61 0.00 0.00 179.24 177.40 1f04 h ALA 67 N 0.65 1.04 -0.51 -0.78 0.00 -1.43 0.27 119.26 118.50 1f04 h ALA 67 Ca 0.15 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 1f04 h ALA 67 Cb 0.54 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1f04 h ALA 67 CO -0.49 0.48 0.10 0.00 0.00 0.00 0.00 179.25 179.34 1f04 h ARG 68 N 1.12 0.79 0.01 0.00 3.08 0.02 0.81 114.38 120.22 1f04 h ARG 68 Ca 0.30 -0.17 -0.00 0.00 0.07 0.00 0.00 59.98 60.18 1f04 h ARG 68 Cb -0.09 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 29.84 1f04 h ARG 68 CO -0.06 0.74 -0.01 0.93 -1.07 0.00 0.00 179.97 180.50 1f04 h GLU 69 N 0.76 -0.02 -0.51 0.04 4.39 0.43 -3.25 114.58 116.42 1f04 h GLU 69 Ca 0.16 0.00 0.10 0.00 0.34 0.00 0.00 59.36 59.97 1f04 h GLU 69 Cb 0.32 0.00 -0.10 0.00 -0.10 0.00 0.00 28.75 28.87 1f04 h GLU 69 CO 0.00 0.56 -0.25 1.25 -1.16 0.00 0.00 179.01 179.41 1f04 h LEU 70 N -0.61 -0.86 -0.93 1.33 5.85 -0.38 0.54 115.31 120.24 1f04 h LEU 70 Ca -0.00 0.19 0.16 0.00 0.84 0.00 0.00 57.88 59.07 1f04 h LEU 70 Cb 0.59 0.46 -0.16 0.00 0.37 0.00 0.00 40.66 41.91 1f04 h LEU 70 CO 0.00 -0.27 -0.30 -1.54 -0.34 0.00 0.00 178.44 176.00 1f04 n SER 71 N -5.42 -0.48 -0.16 1.25 3.41 0.27 0.18 113.62 112.67 1f04 n SER 71 Ca 0.04 1.62 0.09 0.00 -0.26 0.00 0.00 58.87 60.36 1f04 n SER 71 Cb 0.33 -0.43 0.40 0.00 -0.26 0.00 0.00 64.21 64.26 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 0.62 0.00 4.33 1.57 -0.92 0.33 116.57 122.49 1f04 h LYS 72 Ca 0.38 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 59.12 1f04 h LYS 72 Cb 0.62 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.79 1f04 h LYS 72 CO -0.94 0.41 -0.04 1.15 -0.57 0.00 0.00 179.45 179.45 1f04 h THR 73 N 0.63 0.73 -0.55 -0.16 2.02 -0.19 -0.36 112.91 115.04 1f04 h THR 73 Ca 0.32 -0.16 0.00 0.00 0.77 0.00 0.00 66.41 67.34 1f04 h THR 73 Cb 0.41 1.09 0.00 0.00 -1.74 0.00 0.00 68.15 67.92 1f04 h THR 73 CO -0.11 0.04 0.00 0.49 0.37 0.00 0.00 175.52 176.31 1f04 n PHE 74 N -4.06 0.72 -1.91 3.16 3.72 0.11 -4.97 117.46 114.23 1f04 n PHE 74 Ca -0.03 -0.36 -0.41 0.00 -0.05 0.00 0.00 57.45 56.60 1f04 n PHE 74 Cb 0.13 0.00 -0.02 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 -1.28 2.41 -0.14 4.37 2.07 -0.15 -2.25 121.20 126.24 1f04 s ILE 75 Ca 0.41 0.34 0.03 0.00 -1.41 0.00 0.00 60.65 60.03 1f04 s ILE 75 Cb 0.22 -3.22 -0.03 0.00 0.13 0.00 0.00 42.46 39.56 1f04 s ILE 75 CO 0.30 0.05 0.13 2.30 -1.91 0.00 0.00 174.94 175.81 1f04 n ILE 76 N 2.48 0.00 -2.60 2.00 -5.35 -0.76 -4.90 119.36 110.24 1f04 n ILE 76 Ca 0.08 -0.41 0.00 0.00 -0.27 0.00 0.00 62.75 62.15 1f04 n ILE 76 Cb 0.39 0.98 0.00 0.00 -1.74 0.00 0.00 39.64 39.27 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 1.12 -0.12 3.54 3.28 0.00 -1.23 -4.75 105.19 107.02 1f04 n GLY 77 Ca 0.01 -1.41 -0.25 0.00 0.00 0.00 0.00 46.02 44.37 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 1.81 0.29 1.61 8.01 -1.26 -0.68 118.70 126.48 1f04 s GLU 78 Ca 0.00 -1.99 -0.29 0.00 0.01 0.00 0.00 54.97 52.70 1f04 s GLU 78 Cb 0.00 -1.42 -0.10 0.00 -4.31 0.00 0.00 34.13 28.30 1f04 s GLU 78 CO 0.00 -0.03 1.25 -1.17 0.01 0.00 0.00 175.26 175.32 1f04 s LEU 79 N -3.60 4.46 0.31 1.80 2.96 0.36 -1.45 118.68 123.52 1f04 s LEU 79 Ca 0.34 2.50 -0.29 0.00 -0.22 0.00 0.00 54.13 56.46 1f04 s LEU 79 Cb 0.07 -3.63 -0.13 0.00 0.50 0.00 0.00 46.19 43.00 1f04 s LEU 79 CO 0.16 -0.42 1.34 1.57 -1.32 0.00 0.00 176.35 177.69 1f04 n HIS 80 N 1.32 2.29 0.28 5.38 -0.00 0.43 -4.71 115.22 120.20 1f04 n HIS 80 Ca 0.01 0.50 0.09 0.00 -0.00 0.00 0.00 57.72 58.32 1f04 n HIS 80 Cb 0.43 -2.44 0.41 0.00 -0.00 0.00 0.00 29.99 28.39 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 1.09 0.11 -0.01 1.57 -0.04 -1.26 -2.37 135.00 134.09 1f04 n PRO 81 Ca 0.07 0.47 -0.06 0.00 -0.04 0.00 0.00 63.50 63.94 1f04 n PRO 81 Cb 0.35 -1.78 0.12 0.00 -0.04 0.00 0.00 33.50 32.15 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 0.60 -0.66 3.54 3.58 -1.97 -3.05 116.42 118.46 1f04 h ASP 82 Ca 0.00 -0.25 -0.07 0.00 0.42 0.00 0.00 57.03 57.14 1f04 h ASP 82 Cb 0.17 -0.17 -0.03 0.00 1.72 0.00 0.00 39.33 41.03 1f04 h ASP 82 CO 0.00 0.90 0.16 -0.78 -2.88 0.00 0.00 179.24 176.64 1f04 h ASP 83 N 0.49 1.01 0.00 2.28 1.82 -1.85 -3.53 116.42 116.64 1f04 h ASP 83 Ca 0.05 -0.24 0.00 0.00 -0.39 0.00 0.00 57.03 56.46 1f04 h ASP 83 Cb 0.83 -0.27 0.00 0.00 0.68 0.00 0.00 39.33 40.58 1f04 h ASP 83 CO 0.07 0.98 0.00 -1.14 -1.61 0.00 0.00 179.24 177.54