#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f22 n ASP 2 N 0.00 0.00 0.00 0.00 5.75 -1.26 -4.56 116.55 116.48 1f22 n ASP 2 Ca 0.00 -0.54 0.00 0.00 -0.01 0.00 0.00 54.79 54.24 1f22 n ASP 2 Cb 0.00 -0.05 0.00 0.00 -1.03 0.00 0.00 41.12 40.04 1f22 n ASP 2 CO 0.00 0.00 0.00 0.55 -0.11 0.00 0.00 177.20 177.64 1f22 n VAL 3 N 2.34 0.00 -4.38 2.12 3.14 -1.26 -4.41 118.33 115.89 1f22 n VAL 3 Ca 0.00 0.00 -0.19 0.00 -2.96 0.00 0.00 64.34 61.19 1f22 n VAL 3 Cb 0.00 0.00 -0.10 0.00 -1.06 0.00 0.00 33.84 32.68 1f22 n VAL 3 CO 0.00 0.00 0.00 -0.69 -6.46 0.00 0.00 176.83 169.68 1f22 s VAL 4 N -0.86 1.55 0.03 1.55 1.01 0.02 -4.93 120.40 118.77 1f22 s VAL 4 Ca 0.00 -2.13 0.03 0.00 0.00 0.00 0.00 61.98 59.88 1f22 s VAL 4 Cb 0.00 -2.27 -0.02 0.00 0.00 0.00 0.00 36.38 34.09 1f22 s VAL 4 CO 0.00 -0.42 -0.10 0.28 0.00 0.00 0.00 175.10 174.86 1f22 s THR 5 N -3.08 0.73 0.23 3.92 -1.32 -1.26 -0.86 115.64 113.99 1f22 s THR 5 Ca 0.26 -0.86 0.08 0.00 -1.21 0.00 0.00 61.69 59.97 1f22 s THR 5 Cb 0.03 -0.70 -0.07 0.00 -1.51 0.00 0.00 72.50 70.24 1f22 s THR 5 CO 0.09 -0.12 1.52 1.88 -2.21 0.00 0.00 174.62 175.78 1f22 h TYR 6 N 5.00 0.06 -5.30 9.09 0.05 -1.93 -3.48 116.97 120.46 1f22 h TYR 6 Ca -0.35 -0.03 -0.01 0.00 0.05 0.00 0.00 58.73 58.39 1f22 h TYR 6 Cb 1.19 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 38.92 1f22 h TYR 6 CO 0.55 0.74 -0.82 0.39 -1.05 0.00 0.00 178.16 177.97 1f22 n GLU 7 N -3.72 -2.89 -3.66 4.88 1.02 -1.26 -4.96 120.64 110.06 1f22 n GLU 7 Ca -0.01 2.41 -0.22 0.00 -0.02 0.00 0.00 57.16 59.32 1f22 n GLU 7 Cb 0.69 -5.18 -0.04 0.00 -0.02 0.00 0.00 31.44 26.89 1f22 n GLU 7 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 1f22 s ASN 8 N -1.97 4.93 0.02 1.62 0.01 -1.26 -4.92 114.94 113.37 1f22 s ASN 8 Ca 0.11 -0.83 -0.18 0.00 -0.71 0.00 0.00 52.86 51.25 1f22 s ASN 8 Cb -0.03 -0.49 -0.26 0.00 0.41 0.00 0.00 41.25 40.88 1f22 s ASN 8 CO 0.75 -0.67 1.09 0.50 -1.51 0.00 0.00 177.10 177.26 1f22 h LYS 9 N 1.07 0.50 -0.31 -0.60 3.64 -2.02 -3.24 116.57 115.61 1f22 h LYS 9 Ca -0.41 -0.60 0.07 0.00 -1.27 0.00 0.00 60.65 58.43 1f22 h LYS 9 Cb 1.27 0.19 -0.08 0.00 -0.41 0.00 0.00 32.23 33.20 1f22 h LYS 9 CO 0.59 1.23 -0.23 -0.22 -2.27 0.00 0.00 179.45 178.56 1f22 h LYS 10 N 0.04 -0.19 0.00 1.90 1.63 -2.03 -3.46 116.57 114.45 1f22 h LYS 10 Ca -0.12 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.69 1f22 h LYS 10 Cb 1.57 0.04 0.00 0.00 -0.60 0.00 0.00 32.23 33.25 1f22 h LYS 10 CO 0.17 -0.13 0.00 0.41 -3.45 0.00 0.00 179.45 176.45 1f22 n GLY 11 N -1.38 2.39 3.66 5.01 0.00 -1.22 -4.90 105.19 108.75 1f22 n GLY 11 Ca 0.00 0.07 -0.50 0.00 0.00 0.00 0.00 46.02 45.60 1f22 n GLY 11 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1f22 n ASN 12 N 0.00 2.74 -4.44 1.61 5.03 -1.25 -4.09 115.26 114.86 1f22 n ASN 12 Ca 0.00 1.06 -0.44 0.00 0.87 0.00 0.00 54.58 56.07 1f22 n ASN 12 Cb 0.00 -1.31 -0.05 0.00 -1.02 0.00 0.00 39.78 37.39 1f22 n ASN 12 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 1f22 s VAL 13 N 2.01 4.74 0.04 2.41 1.01 -1.26 -0.81 120.40 128.54 1f22 s VAL 13 Ca 0.87 -0.51 -0.29 0.00 0.00 0.00 0.00 61.98 62.05 1f22 s VAL 13 Cb -0.81 -4.42 -0.04 0.00 0.00 0.00 0.00 36.38 31.11 1f22 s VAL 13 CO 0.48 -1.00 0.92 -0.89 0.00 0.00 0.00 175.10 174.61 1f22 s THR 14 N 2.98 4.72 -0.08 3.92 2.01 -1.00 -2.99 115.64 125.20 1f22 s THR 14 Ca 0.17 1.96 -0.06 0.00 0.31 0.00 0.00 61.69 64.07 1f22 s THR 14 Cb -0.19 -4.27 0.02 0.00 0.01 0.00 0.00 72.50 68.07 1f22 s THR 14 CO 0.11 0.25 0.20 0.72 -0.69 0.00 0.00 174.62 175.22 1f22 s PHE 15 N 0.47 -0.23 0.88 4.92 -0.71 -0.04 -4.78 117.98 118.49 1f22 s PHE 15 Ca 0.47 0.56 -0.12 0.00 -1.04 0.00 0.00 56.93 56.81 1f22 s PHE 15 Cb -0.22 0.06 0.12 0.00 -1.21 0.00 0.00 43.02 41.77 1f22 s PHE 15 CO 0.27 -0.13 1.10 0.34 -1.34 0.00 0.00 175.22 175.46 1f22 s ASP 16 N 0.35 3.66 0.09 1.98 -1.08 -1.26 -0.80 116.67 119.60 1f22 s ASP 16 Ca -0.02 1.32 0.00 0.00 -0.52 0.00 0.00 52.55 53.33 1f22 s ASP 16 Cb -0.03 -2.00 0.00 0.00 -1.46 0.00 0.00 42.92 39.42 1f22 s ASP 16 CO -0.01 -2.50 0.00 1.57 0.52 0.00 0.00 175.17 174.75 1f22 n HIS 17 N -3.77 -0.63 -0.13 -5.34 -0.00 -1.26 -4.72 115.22 99.37 1f22 n HIS 17 Ca 0.07 0.11 -0.08 0.00 -0.00 0.00 0.00 57.72 57.82 1f22 n HIS 17 Cb 0.56 0.29 -0.02 0.00 -0.00 0.00 0.00 29.99 30.82 1f22 n HIS 17 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 176.34 176.12 1f22 h LYS 18 N 0.00 -0.25 0.32 1.57 3.64 -1.91 0.83 116.57 120.76 1f22 h LYS 18 Ca 0.00 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1f22 h LYS 18 Cb 0.00 0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 31.85 1f22 h LYS 18 CO 0.00 -0.17 -0.43 0.00 -2.27 0.00 0.00 179.45 176.58 1f22 h ALA 19 N 0.69 -0.88 -1.01 5.00 0.00 -1.89 0.13 119.26 121.30 1f22 h ALA 19 Ca 0.17 -0.13 0.12 0.00 0.00 0.00 0.00 54.91 55.08 1f22 h ALA 19 Cb 0.55 0.66 -0.09 0.00 0.00 0.00 0.00 17.79 18.91 1f22 h ALA 19 CO -0.56 -1.05 0.63 0.45 0.00 0.00 0.00 179.25 178.72 1f22 h HIS 20 N -0.80 1.15 0.47 0.00 3.86 -1.79 0.52 115.15 118.55 1f22 h HIS 20 Ca -0.02 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.20 1f22 h HIS 20 Cb 0.74 -0.36 0.00 0.00 1.06 0.00 0.00 27.41 28.85 1f22 h HIS 20 CO -0.28 0.44 -0.25 0.00 0.86 0.00 0.00 177.93 178.70 1f22 h ALA 21 N 1.55 -0.66 -0.08 2.45 0.00 0.62 -0.67 119.26 122.47 1f22 h ALA 21 Ca 0.50 -0.14 -0.24 0.00 0.00 0.00 0.00 54.91 55.04 1f22 h ALA 21 Cb 0.51 0.29 0.01 0.00 0.00 0.00 0.00 17.79 18.60 1f22 h ALA 21 CO -0.27 -0.88 -0.89 1.05 0.00 0.00 0.00 179.25 178.26 1f22 h GLU 22 N -0.67 0.70 0.15 0.00 4.11 -0.32 0.74 114.58 119.31 1f22 h GLU 22 Ca -0.06 -0.65 0.02 0.00 0.07 0.00 0.00 59.36 58.73 1f22 h GLU 22 Cb 0.53 0.16 -0.04 0.00 0.50 0.00 0.00 28.75 29.90 1f22 h GLU 22 CO 0.08 1.25 -0.33 0.87 0.07 0.00 0.00 179.01 180.96 1f22 h LYS 23 N 0.44 -0.56 0.00 1.06 1.79 -0.94 -3.35 116.57 115.02 1f22 h LYS 23 Ca -0.08 0.04 -0.03 0.00 -2.18 0.00 0.00 60.65 58.39 1f22 h LYS 23 Cb 1.53 0.13 -0.00 0.00 -1.58 0.00 0.00 32.23 32.30 1f22 h LYS 23 CO 0.18 -0.37 -0.40 -0.07 -1.08 0.00 0.00 179.45 177.71 1f22 h LEU 24 N -0.58 0.00 0.00 2.94 -0.00 -1.12 -3.51 115.31 113.05 1f22 h LEU 24 Ca 0.02 -0.17 0.00 0.00 -0.00 0.00 0.00 57.88 57.73 1f22 h LEU 24 Cb 0.59 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.25 1f22 h LEU 24 CO -0.17 0.80 0.00 0.61 -0.00 0.00 0.00 178.44 179.68 1f22 n GLY 25 N 1.64 0.19 0.00 0.83 0.00 0.26 -4.91 105.19 103.20 1f22 n GLY 25 Ca -0.09 0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1f22 n GLY 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1f22 n ASP 27 N 0.00 0.03 -0.17 0.00 9.92 -1.26 -0.57 116.55 124.51 1f22 n ASP 27 Ca 0.00 1.62 0.02 0.00 -0.53 0.00 0.00 54.79 55.90 1f22 n ASP 27 Cb 0.00 -0.65 0.05 0.00 -0.64 0.00 0.00 41.12 39.88 1f22 n ASP 27 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1f22 n ALA 28 N -2.90 0.06 0.00 2.24 0.00 -1.26 -3.44 120.51 115.21 1f22 n ALA 28 Ca 0.27 0.49 0.00 0.00 0.00 0.00 0.00 53.44 54.20 1f22 n ALA 28 Cb 0.90 -0.27 0.00 0.00 0.00 0.00 0.00 19.45 20.08 1f22 n ALA 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1f22 n HIS 30 N -1.27 2.85 0.42 0.00 8.25 0.27 -4.96 115.22 120.78 1f22 n HIS 30 Ca 0.00 -4.19 -0.17 0.00 -0.26 0.00 0.00 57.72 53.11 1f22 n HIS 30 Cb 0.23 -0.53 -0.08 0.00 1.12 0.00 0.00 29.99 30.73 1f22 n HIS 30 CO 0.00 0.00 0.00 0.93 0.64 0.00 0.00 176.34 177.91 1f22 h GLU 31 N 5.23 -1.04 0.02 -0.41 5.08 -1.79 -3.36 114.58 118.30 1f22 h GLU 31 Ca 0.17 0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.60 1f22 h GLU 31 Cb 0.76 0.24 0.00 0.00 0.50 0.00 0.00 28.75 30.24 1f22 h GLU 31 CO 0.70 -0.70 -0.01 0.78 -1.00 0.00 0.00 179.01 178.78 1f22 h GLY 32 N -1.25 -0.03 -4.18 -3.84 0.00 -1.93 -3.47 103.07 88.37 1f22 h GLY 32 Ca -0.11 0.01 0.01 0.00 0.00 0.00 0.00 47.33 47.24 1f22 h GLY 32 CO 0.18 -0.01 0.36 -1.08 0.00 0.00 0.00 176.54 176.00 1f22 s THR 33 N -1.63 0.00 0.64 4.70 -1.32 -1.26 -5.15 115.64 111.61 1f22 s THR 33 Ca -0.00 0.00 -0.16 0.00 -1.21 0.00 0.00 61.69 60.31 1f22 s THR 33 Cb 0.00 -1.00 -0.01 0.00 -1.51 0.00 0.00 72.50 69.98 1f22 s THR 33 CO 0.01 0.00 1.14 -2.16 -2.21 0.00 0.00 174.62 171.40 1f22 s PRO 34 N -1.22 2.83 -0.13 7.08 0.04 -1.26 -4.87 135.00 137.46 1f22 s PRO 34 Ca -0.06 1.52 0.01 0.00 0.04 0.00 0.00 61.00 62.51 1f22 s PRO 34 Cb -0.00 -1.94 0.03 0.00 0.04 0.00 0.00 34.50 32.63 1f22 s PRO 34 CO 0.05 -1.25 0.75 0.00 0.04 0.00 0.00 177.00 176.59 1f22 n ALA 35 N -2.17 -2.00 -2.00 8.56 0.00 -1.26 -5.10 120.51 116.54 1f22 n ALA 35 Ca 0.11 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1f22 n ALA 35 Cb 0.51 -0.72 0.00 0.00 0.00 0.00 0.00 19.45 19.25 1f22 n ALA 35 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1f22 n LYS 36 N -0.27 -4.88 -0.06 0.00 5.02 -1.26 -4.99 118.16 111.72 1f22 n LYS 36 Ca -0.12 3.54 -0.18 0.00 -2.02 0.00 0.00 58.31 59.53 1f22 n LYS 36 Cb 0.57 -3.96 -0.13 0.00 -0.02 0.00 0.00 35.03 31.49 1f22 n LYS 36 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 1f22 h ILE 37 N 3.83 1.44 -5.21 -0.18 2.04 -1.98 -3.49 117.51 113.97 1f22 h ILE 37 Ca 0.00 -2.32 0.00 0.00 1.00 0.00 0.00 64.86 63.54 1f22 h ILE 37 Cb 0.00 2.98 0.00 0.00 -0.74 0.00 0.00 36.82 39.06 1f22 h ILE 37 CO 0.00 0.54 -0.27 0.00 0.00 0.00 0.00 178.15 178.43 1f22 n ALA 38 N -2.88 -2.77 -2.62 1.87 0.00 -1.26 -4.92 120.51 107.93 1f22 n ALA 38 Ca -0.18 0.64 -0.42 0.00 0.00 0.00 0.00 53.44 53.48 1f22 n ALA 38 Cb 0.61 -2.68 -0.03 0.00 0.00 0.00 0.00 19.45 17.35 1f22 n ALA 38 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1f22 s ILE 39 N -2.74 4.03 0.51 0.00 1.01 -1.26 -5.00 121.20 117.76 1f22 s ILE 39 Ca 0.13 0.46 -0.04 0.00 0.00 0.00 0.00 60.65 61.20 1f22 s ILE 39 Cb -0.04 -4.75 -0.01 0.00 0.01 0.00 0.00 42.46 37.67 1f22 s ILE 39 CO 0.73 -1.48 0.79 1.51 0.00 0.00 0.00 174.94 176.48 1f22 s ASP 40 N 3.28 5.90 0.23 3.58 1.47 -1.26 -4.70 116.67 125.17 1f22 s ASP 40 Ca 0.35 0.66 -0.14 0.00 1.18 0.00 0.00 52.55 54.61 1f22 s ASP 40 Cb -0.10 -1.85 0.29 0.00 -0.34 0.00 0.00 42.92 40.92 1f22 s ASP 40 CO 0.19 -0.78 1.47 2.29 0.68 0.00 0.00 175.17 179.01 1f22 n LYS 41 N -2.32 -0.18 -0.26 2.11 2.85 -1.26 0.15 118.16 119.25 1f22 n LYS 41 Ca 0.02 1.46 0.06 0.00 -1.05 0.00 0.00 58.31 58.80 1f22 n LYS 41 Cb 0.57 -2.17 0.18 0.00 -0.65 0.00 0.00 35.03 32.96 1f22 n LYS 41 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 177.40 177.13 1f22 h LYS 42 N 0.00 0.13 0.01 -1.58 3.64 -1.93 -0.09 116.57 116.74 1f22 h LYS 42 Ca 0.37 -0.01 -0.29 0.00 -1.27 0.00 0.00 60.65 59.45 1f22 h LYS 42 Cb 0.60 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.35 1f22 h LYS 42 CO -0.95 0.08 -1.59 0.43 -2.27 0.00 0.00 179.45 175.16 1f22 n SER 43 N -5.31 1.90 -0.33 4.20 7.64 0.30 -3.99 113.62 118.02 1f22 n SER 43 Ca 0.15 0.38 -0.07 0.00 1.01 0.00 0.00 58.87 60.34 1f22 n SER 43 Cb 0.51 -0.92 -0.06 0.00 -1.01 0.00 0.00 64.21 62.73 1f22 n SER 43 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1f22 n ALA 44 N -3.55 -0.43 -0.58 -0.43 0.00 0.12 -0.35 120.51 115.29 1f22 n ALA 44 Ca -0.37 0.70 -0.17 0.00 0.00 0.00 0.00 53.44 53.60 1f22 n ALA 44 Cb 0.75 -0.16 0.10 0.00 0.00 0.00 0.00 19.45 20.14 1f22 n ALA 44 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1f22 n HIS 45 N -5.04 1.99 0.00 0.00 8.25 -0.05 -3.40 115.22 116.97 1f22 n HIS 45 Ca 0.03 -1.61 0.00 0.00 -0.26 0.00 0.00 57.72 55.88 1f22 n HIS 45 Cb 0.23 -0.80 0.00 0.00 1.12 0.00 0.00 29.99 30.54 1f22 n HIS 45 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1f22 n LYS 46 N -0.42 0.00 -3.13 -0.41 0.00 0.52 -4.98 118.16 109.74 1f22 n LYS 46 Ca 0.39 0.00 -0.15 0.00 0.00 0.00 0.00 58.31 58.54 1f22 n LYS 46 Cb 1.08 0.00 -0.05 0.00 0.00 0.00 0.00 35.03 36.06 1f22 n LYS 46 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1f22 s ASP 47 N -2.08 0.14 0.00 3.14 1.01 0.53 -4.66 116.67 114.75 1f22 s ASP 47 Ca 0.00 -2.24 0.00 0.00 0.71 0.00 0.00 52.55 51.02 1f22 s ASP 47 Cb 0.00 0.72 0.00 0.00 1.01 0.00 0.00 42.92 44.65 1f22 s ASP 47 CO 0.00 -0.14 0.00 0.00 0.21 0.00 0.00 175.17 175.24 1f22 n ALA 48 N 3.14 0.66 0.12 5.23 0.00 -1.17 -4.78 120.51 123.72 1f22 n ALA 48 Ca 0.22 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.61 1f22 n ALA 48 Cb 0.51 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.93 1f22 n ALA 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1f22 h LYS 50 N -0.62 0.00 0.00 0.00 1.79 -1.83 0.14 116.57 116.04 1f22 h LYS 50 Ca -0.03 0.00 -0.12 0.00 -2.18 0.00 0.00 60.65 58.32 1f22 h LYS 50 Cb 0.26 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.89 1f22 h LYS 50 CO 0.06 0.00 -0.55 0.00 -1.08 0.00 0.00 179.45 177.88 1f22 h THR 51 N 0.00 1.05 0.01 -0.16 1.03 -1.83 -0.66 112.91 112.35 1f22 h THR 51 Ca 0.02 -2.18 -0.00 0.00 -0.01 0.00 0.00 66.41 64.24 1f22 h THR 51 Cb 0.15 2.31 0.00 0.00 -1.07 0.00 0.00 68.15 69.54 1f22 h THR 51 CO -0.00 0.54 -0.01 0.00 -0.01 0.00 0.00 175.52 176.04 1f22 n HIS 53 N -4.70 0.00 -0.00 0.00 -0.00 0.36 -4.29 115.22 106.59 1f22 n HIS 53 Ca -0.06 -0.89 -0.07 0.00 -0.00 0.00 0.00 57.72 56.69 1f22 n HIS 53 Cb 0.29 -0.84 -0.06 0.00 -0.00 0.00 0.00 29.99 29.38 1f22 n HIS 53 CO 0.00 0.00 0.00 0.87 -0.00 0.00 0.00 176.34 177.21 1f22 h LYS 54 N 2.87 -0.11 -2.03 -0.41 1.57 -1.29 -3.41 116.57 113.76 1f22 h LYS 54 Ca 0.07 0.01 -0.54 0.00 -1.87 0.00 0.00 60.65 58.31 1f22 h LYS 54 Cb 0.90 0.03 -0.40 0.00 0.08 0.00 0.00 32.23 32.84 1f22 h LYS 54 CO 0.15 0.27 -1.07 0.45 -0.57 0.00 0.00 179.45 178.68 1f22 n SER 55 N -4.82 0.81 -4.31 0.86 2.88 -1.26 -5.03 113.62 102.75 1f22 n SER 55 Ca -0.05 -2.88 -0.32 0.00 -1.33 0.00 0.00 58.87 54.29 1f22 n SER 55 Cb 0.21 -0.63 -0.16 0.00 -0.75 0.00 0.00 64.21 62.88 1f22 n SER 55 CO 0.00 0.00 0.00 0.20 -1.23 0.00 0.00 175.04 174.01 1f22 s ASN 56 N -1.71 3.50 0.36 -3.46 -0.87 -1.26 -5.04 114.94 106.45 1f22 s ASN 56 Ca 0.37 -0.43 0.00 0.00 -1.57 0.00 0.00 52.86 51.23 1f22 s ASN 56 Cb 0.22 -1.27 0.00 0.00 -0.02 0.00 0.00 41.25 40.18 1f22 s ASN 56 CO -0.09 0.20 0.00 0.59 -2.57 0.00 0.00 177.10 175.23 1f22 n ASN 57 N 3.24 -8.69 0.15 -1.22 3.02 -1.26 -4.64 115.26 105.86 1f22 n ASN 57 Ca -0.18 0.64 -0.06 0.00 -0.03 0.00 0.00 54.58 54.94 1f22 n ASN 57 Cb 0.53 -4.46 -0.03 0.00 -0.61 0.00 0.00 39.78 35.21 1f22 n ASN 57 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 1f22 h GLY 58 N -1.36 -0.42 -1.30 7.41 0.00 -2.04 -3.44 103.07 101.92 1f22 h GLY 58 Ca 0.02 0.16 -0.52 0.00 0.00 0.00 0.00 47.33 46.98 1f22 h GLY 58 CO 0.01 -0.15 0.25 2.56 0.00 0.00 0.00 176.54 179.21 1f22 s PRO 59 N -3.41 1.37 0.00 4.80 0.04 -1.26 -4.92 135.00 131.61 1f22 s PRO 59 Ca -0.06 1.46 0.00 0.00 0.04 0.00 0.00 61.00 62.44 1f22 s PRO 59 Cb 0.01 -1.77 0.00 0.00 0.04 0.00 0.00 34.50 32.77 1f22 s PRO 59 CO 0.18 -2.36 0.00 2.41 0.04 0.00 0.00 177.00 177.27 1f22 n THR 60 N -4.01 0.00 0.00 1.26 -1.04 -1.26 -4.74 114.28 104.49 1f22 n THR 60 Ca 0.11 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.12 1f22 n THR 60 Cb 0.52 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.03 1f22 n THR 60 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1f22 n LYS 61 N -0.16 0.00 -1.16 -2.82 5.02 -1.26 -5.02 118.16 112.76 1f22 n LYS 61 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1f22 n LYS 61 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1f22 n LYS 61 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1f22 n GLY 63 N 5.00 1.42 0.52 0.00 0.00 -1.26 -4.78 105.19 106.09 1f22 n GLY 63 Ca 0.00 -0.10 0.35 0.00 0.00 0.00 0.00 46.02 46.27 1f22 n GLY 63 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1f22 h GLY 64 N 0.00 0.44 0.00 -0.02 0.00 -1.96 -3.36 103.07 98.17 1f22 h GLY 64 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.27 1f22 h GLY 64 CO 0.00 -0.08 -0.14 0.00 0.00 0.00 0.00 176.54 176.32 1f22 s HIS 66 N -2.00 1.90 -1.58 0.00 4.02 -1.26 -2.38 115.29 113.99 1f22 s HIS 66 Ca 0.00 0.19 -0.10 0.00 1.02 0.00 0.00 55.06 56.17 1f22 s HIS 66 Cb 0.00 -3.96 -0.05 0.00 -1.02 0.00 0.00 32.58 27.55 1f22 s HIS 66 CO 0.00 -3.90 2.83 -0.89 1.02 0.00 0.00 174.74 173.80 1f22 n ILE 67 N 5.69 4.32 -1.19 0.60 2.08 0.01 -4.42 119.36 126.45 1f22 n ILE 67 Ca 0.18 -2.81 0.00 0.00 0.56 0.00 0.00 62.75 60.69 1f22 n ILE 67 Cb 0.43 -2.57 0.00 0.00 -0.75 0.00 0.00 39.64 36.75 1f22 n ILE 67 CO 0.00 0.00 0.00 1.17 0.56 0.00 0.00 176.55 178.28