#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 -3.78 0.00 5.68 -1.26 -4.63 116.55 112.56 1f22 n ASP 2 Ca 0.00 0.00 -0.13 0.00 -0.50 0.00 0.00 54.79 54.16 1f22 n ASP 2 Cb 0.00 0.00 -0.12 0.00 -1.14 0.00 0.00 41.12 39.86 1f22 n ASP 2 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1f22 s VAL 3 N 0.00 -0.01 0.21 2.12 0.11 -1.26 -0.41 120.40 121.15 1f22 s VAL 3 Ca 0.00 0.05 0.04 0.00 -2.93 0.00 0.00 61.98 59.13 1f22 s VAL 3 Cb 0.00 -0.31 -0.05 0.00 -1.53 0.00 0.00 36.38 34.49 1f22 s VAL 3 CO 0.00 0.02 -0.02 -0.69 -3.33 0.00 0.00 175.10 171.08 1f22 s VAL 4 N 0.46 1.02 0.00 2.04 1.01 -0.43 -4.88 120.40 119.63 1f22 s VAL 4 Ca -0.03 -2.03 0.02 0.00 0.00 0.00 0.00 61.98 59.94 1f22 s VAL 4 Cb -0.04 -2.24 -0.01 0.00 0.00 0.00 0.00 36.38 34.08 1f22 s VAL 4 CO -0.02 -0.40 -0.07 0.28 0.00 0.00 0.00 175.10 174.89 1f22 s THR 5 N -3.43 0.51 -0.66 3.92 -1.32 -1.26 -0.62 115.64 112.78 1f22 s THR 5 Ca 0.26 -0.42 -0.27 0.00 -1.21 0.00 0.00 61.69 60.06 1f22 s THR 5 Cb 0.05 -0.46 0.01 0.00 -1.51 0.00 0.00 72.50 70.60 1f22 s THR 5 CO 0.07 0.05 1.47 -0.31 -2.21 0.00 0.00 174.62 173.69 1f22 s TYR 6 N -0.37 2.11 -1.23 9.09 2.02 0.30 -4.93 117.35 124.35 1f22 s TYR 6 Ca 0.00 0.31 -0.20 0.00 -0.37 0.00 0.00 57.07 56.81 1f22 s TYR 6 Cb -0.04 -4.42 -0.01 0.00 -0.40 0.00 0.00 41.96 37.09 1f22 s TYR 6 CO -0.00 -2.12 1.87 -0.85 -1.57 0.00 0.00 175.55 172.88 1f22 n GLU 7 N 9.14 2.43 -1.49 -0.62 0.28 -1.26 -1.09 120.64 128.03 1f22 n GLU 7 Ca 0.10 -2.81 -0.30 0.00 -0.16 0.00 0.00 57.16 53.99 1f22 n GLU 7 Cb 0.50 -3.53 0.10 0.00 1.43 0.00 0.00 31.44 29.94 1f22 n GLU 7 CO 0.00 0.00 0.00 -0.80 -0.16 0.00 0.00 177.13 176.17 1f22 s ASN 8 N 5.06 4.37 -0.02 -1.84 0.01 -1.26 -4.93 114.94 116.32 1f22 s ASN 8 Ca 0.59 1.37 -0.12 0.00 -0.71 0.00 0.00 52.86 53.99 1f22 s ASN 8 Cb 0.04 -2.10 -0.32 0.00 0.41 0.00 0.00 41.25 39.28 1f22 s ASN 8 CO 0.09 -2.05 0.78 0.11 -1.51 0.00 0.00 177.10 174.51 1f22 h LYS 9 N -1.15 0.43 -0.05 -0.60 1.79 -2.01 -3.34 116.57 111.64 1f22 h LYS 9 Ca -0.47 -0.73 0.01 0.00 -2.18 0.00 0.00 60.65 57.28 1f22 h LYS 9 Cb 1.27 0.27 -0.01 0.00 -1.58 0.00 0.00 32.23 32.18 1f22 h LYS 9 CO 0.58 1.34 -0.01 1.57 -1.08 0.00 0.00 179.45 181.86 1f22 h LYS 10 N 0.12 0.01 0.00 3.15 5.09 -1.96 -3.46 116.57 119.51 1f22 h LYS 10 Ca -0.31 -0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.43 1f22 h LYS 10 Cb 2.12 -0.00 0.00 0.00 0.10 0.00 0.00 32.23 34.44 1f22 h LYS 10 CO 0.21 0.01 0.00 0.41 -2.09 0.00 0.00 179.45 177.98 1f22 n GLY 11 N -1.12 1.34 3.68 0.07 0.00 -1.25 -4.99 105.19 102.93 1f22 n GLY 11 Ca -0.06 0.39 -0.44 0.00 0.00 0.00 0.00 46.02 45.91 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 2.82 -4.27 1.61 5.03 -1.26 -4.43 115.26 114.76 1f22 n ASN 12 Ca 0.00 1.16 -0.37 0.00 0.87 0.00 0.00 54.58 56.24 1f22 n ASN 12 Cb 0.00 -1.46 -0.13 0.00 -1.02 0.00 0.00 39.78 37.18 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 -0.40 3.63 0.36 2.41 1.01 -0.25 -0.77 120.40 126.40 1f22 s VAL 13 Ca 0.64 -1.03 -0.11 0.00 0.00 0.00 0.00 61.98 61.48 1f22 s VAL 13 Cb -0.61 -2.99 -0.07 0.00 0.00 0.00 0.00 36.38 32.71 1f22 s VAL 13 CO 0.54 -0.05 0.73 0.28 0.00 0.00 0.00 175.10 176.59 1f22 s THR 14 N 1.40 4.79 -0.20 3.92 -1.32 -1.25 -0.53 115.64 122.45 1f22 s THR 14 Ca -0.01 0.64 -0.08 0.00 -1.21 0.00 0.00 61.69 61.04 1f22 s THR 14 Cb -0.19 -3.69 0.08 0.00 -1.51 0.00 0.00 72.50 67.20 1f22 s THR 14 CO 0.01 -0.39 0.43 0.72 -2.21 0.00 0.00 174.62 173.19 1f22 s PHE 15 N -2.21 -0.77 -0.51 9.09 -0.71 0.21 -4.96 117.98 118.13 1f22 s PHE 15 Ca 0.51 1.50 -0.28 0.00 -1.04 0.00 0.00 56.93 57.62 1f22 s PHE 15 Cb -0.10 0.31 0.00 0.00 -1.21 0.00 0.00 43.02 42.02 1f22 s PHE 15 CO 0.27 -0.45 1.56 -0.51 -1.34 0.00 0.00 175.22 174.74 1f22 s ASP 16 N 2.30 5.96 0.06 1.98 1.11 -1.26 -1.31 116.67 125.51 1f22 s ASP 16 Ca -0.04 0.54 -0.31 0.00 0.18 0.00 0.00 52.55 52.93 1f22 s ASP 16 Cb -0.11 -2.54 -0.18 0.00 1.07 0.00 0.00 42.92 41.16 1f22 s ASP 16 CO -0.13 -1.79 1.55 -0.74 1.18 0.00 0.00 175.17 175.24 1f22 h HIS 17 N 12.01 -0.73 -0.34 4.23 2.76 -1.08 -0.17 115.15 131.83 1f22 h HIS 17 Ca -0.28 -0.02 0.04 0.00 -2.20 0.00 0.00 60.37 57.91 1f22 h HIS 17 Cb 1.12 0.24 -0.04 0.00 1.55 0.00 0.00 27.41 30.28 1f22 h HIS 17 CO 1.01 -0.43 0.12 -0.22 -1.30 0.00 0.00 177.93 177.12 1f22 h LYS 18 N -0.85 0.27 -0.04 5.26 3.11 -1.30 0.18 116.57 123.19 1f22 h LYS 18 Ca -0.08 -0.02 0.04 0.00 -2.81 0.00 0.00 60.65 57.78 1f22 h LYS 18 Cb 0.63 -0.06 -0.05 0.00 -1.00 0.00 0.00 32.23 31.75 1f22 h LYS 18 CO 0.13 0.18 -0.26 0.00 -2.81 0.00 0.00 179.45 176.69 1f22 h ALA 19 N 1.21 -0.33 0.00 5.00 0.00 -1.74 0.27 119.26 123.68 1f22 h ALA 19 Ca 0.15 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 1f22 h ALA 19 Cb 0.12 0.48 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 1f22 h ALA 19 CO -0.15 -0.75 -0.00 0.45 0.00 0.00 0.00 179.25 178.79 1f22 h HIS 20 N -0.38 0.00 0.28 0.00 3.86 -0.41 0.73 115.15 119.24 1f22 h HIS 20 Ca 0.07 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.27 1f22 h HIS 20 Cb 0.48 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.96 1f22 h HIS 20 CO -0.32 0.00 -0.13 0.00 0.86 0.00 0.00 177.93 178.34 1f22 h ALA 21 N 2.00 -0.39 -0.32 2.45 0.00 0.14 -3.13 119.26 120.01 1f22 h ALA 21 Ca -0.00 -0.08 -0.12 0.00 0.00 0.00 0.00 54.91 54.71 1f22 h ALA 21 Cb 0.01 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1f22 h ALA 21 CO 0.00 -0.36 -0.27 1.05 0.00 0.00 0.00 179.25 179.67 1f22 h GLU 22 N -1.06 0.76 -0.27 0.00 4.11 -0.16 0.70 114.58 118.65 1f22 h GLU 22 Ca -0.04 -0.38 -0.02 0.00 0.07 0.00 0.00 59.36 58.99 1f22 h GLU 22 Cb 0.29 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 1f22 h GLU 22 CO 0.06 1.00 0.09 0.87 0.07 0.00 0.00 179.01 181.11 1f22 h LYS 23 N 0.52 0.42 0.00 1.06 1.79 -1.07 -3.40 116.57 115.90 1f22 h LYS 23 Ca 0.06 -0.09 -0.26 0.00 -2.18 0.00 0.00 60.65 58.18 1f22 h LYS 23 Cb 0.84 -0.06 -0.04 0.00 -1.58 0.00 0.00 32.23 31.39 1f22 h LYS 23 CO 0.07 0.47 -1.83 1.28 -1.08 0.00 0.00 179.45 178.36 1f22 n LEU 24 N -4.74 1.82 0.00 2.94 4.77 -1.14 -5.08 117.00 115.57 1f22 n LEU 24 Ca -0.03 0.31 0.00 0.00 -0.03 0.00 0.00 56.01 56.26 1f22 n LEU 24 Cb 0.15 -0.73 0.00 0.00 -2.33 0.00 0.00 43.42 40.51 1f22 n LEU 24 CO 0.36 0.20 0.00 0.61 -1.33 0.00 0.00 177.39 177.23 1f22 n GLY 25 N 1.50 -0.30 0.00 -0.72 0.00 0.24 -4.87 105.19 101.04 1f22 n GLY 25 Ca -0.35 0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.81 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 0.01 -0.27 0.00 5.75 -1.09 -0.52 116.55 120.43 1f22 n ASP 27 Ca 0.00 0.86 0.22 0.00 -0.01 0.00 0.00 54.79 55.86 1f22 n ASP 27 Cb 0.00 -0.34 0.41 0.00 -1.03 0.00 0.00 41.12 40.16 1f22 n ASP 27 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1f22 n ALA 28 N -3.17 0.72 0.00 2.12 0.00 -1.26 -3.65 120.51 115.26 1f22 n ALA 28 Ca 0.14 0.86 0.00 0.00 0.00 0.00 0.00 53.44 54.44 1f22 n ALA 28 Cb 0.47 -0.78 0.00 0.00 0.00 0.00 0.00 19.45 19.14 1f22 n ALA 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1f22 s HIS 30 N -1.44 2.64 -0.04 0.00 3.76 0.33 -5.03 115.29 115.51 1f22 s HIS 30 Ca 0.00 -1.63 -0.00 0.00 -0.15 0.00 0.00 55.06 53.28 1f22 s HIS 30 Cb 0.00 -1.80 -0.00 0.00 1.11 0.00 0.00 32.58 31.89 1f22 s HIS 30 CO 0.00 -0.78 -0.00 0.93 -0.85 0.00 0.00 174.74 174.04 1f22 h GLU 31 N 7.95 0.00 0.00 1.40 5.08 -1.82 -2.89 114.58 124.30 1f22 h GLU 31 Ca -0.38 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.98 1f22 h GLU 31 Cb 1.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.37 1f22 h GLU 31 CO 0.57 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.99 1f22 n GLY 32 N 1.92 0.73 3.66 -3.84 0.00 -1.26 -4.83 105.19 101.57 1f22 n GLY 32 Ca -0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1f22 n GLY 32 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1f22 s THR 33 N 1.30 3.27 -0.05 2.61 -1.32 -1.26 -4.91 115.64 115.28 1f22 s THR 33 Ca 0.00 0.38 -0.25 0.00 -1.21 0.00 0.00 61.69 60.61 1f22 s THR 33 Cb 0.00 -3.25 -0.23 0.00 -1.51 0.00 0.00 72.50 67.51 1f22 s THR 33 CO 0.00 -0.03 1.05 1.55 -2.21 0.00 0.00 174.62 174.98 1f22 h PRO 34 N 9.85 0.14 -5.19 7.08 0.13 -1.94 -3.47 132.00 138.59 1f22 h PRO 34 Ca -0.44 -0.14 -0.24 0.00 -0.87 0.00 0.00 66.00 64.31 1f22 h PRO 34 Cb 1.21 0.04 -0.15 0.00 0.13 0.00 0.00 31.00 32.22 1f22 h PRO 34 CO 0.95 0.86 -0.35 0.00 -0.23 0.00 0.00 178.00 179.24 1f22 n ALA 35 N -2.51 -0.87 -1.03 -0.56 0.00 -1.26 -4.30 120.51 109.97 1f22 n ALA 35 Ca -0.09 -0.08 0.03 0.00 0.00 0.00 0.00 53.44 53.30 1f22 n ALA 35 Cb 0.46 -1.16 -0.02 0.00 0.00 0.00 0.00 19.45 18.73 1f22 n ALA 35 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1f22 n LYS 36 N -2.61 -1.39 -0.00 0.00 2.85 -1.26 -4.94 118.16 110.81 1f22 n LYS 36 Ca 0.05 1.11 0.02 0.00 -1.05 0.00 0.00 58.31 58.43 1f22 n LYS 36 Cb 0.37 -1.80 -0.02 0.00 -0.65 0.00 0.00 35.03 32.94 1f22 n LYS 36 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 177.40 176.46 1f22 n ILE 37 N -2.90 0.00 0.00 0.58 5.41 -1.26 -5.03 119.36 116.16 1f22 n ILE 37 Ca -0.02 -0.33 0.00 0.00 1.00 0.00 0.00 62.75 63.40 1f22 n ILE 37 Cb 0.22 0.85 0.00 0.00 -0.71 0.00 0.00 39.64 40.00 1f22 n ILE 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1f22 n ALA 38 N -1.22 0.00 -2.79 -1.39 0.00 -1.26 -4.77 120.51 109.08 1f22 n ALA 38 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 1f22 n ALA 38 Cb 0.06 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.49 1f22 n ALA 38 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1f22 n ILE 39 N 0.00 -6.33 -3.72 0.00 2.08 -1.26 -5.07 119.36 105.06 1f22 n ILE 39 Ca 0.00 1.28 -0.25 0.00 0.56 0.00 0.00 62.75 64.34 1f22 n ILE 39 Cb 0.00 -4.23 0.01 0.00 -0.75 0.00 0.00 39.64 34.67 1f22 n ILE 39 CO 0.00 0.00 0.00 1.51 0.56 0.00 0.00 176.55 178.62 1f22 s ASP 40 N -0.29 4.70 0.18 4.38 -4.77 -1.26 -4.88 116.67 114.73 1f22 s ASP 40 Ca -0.12 -1.20 -0.15 0.00 -3.30 0.00 0.00 52.55 47.78 1f22 s ASP 40 Cb 0.01 0.47 0.15 0.00 -1.09 0.00 0.00 42.92 42.46 1f22 s ASP 40 CO 0.32 -1.19 1.67 0.07 0.70 0.00 0.00 175.17 176.73 1f22 h LYS 41 N 0.60 0.04 -0.37 2.11 2.10 -1.97 0.32 116.57 119.39 1f22 h LYS 41 Ca -0.35 -0.00 0.07 0.00 -2.00 0.00 0.00 60.65 58.37 1f22 h LYS 41 Cb 1.30 -0.01 -0.09 0.00 -0.90 0.00 0.00 32.23 32.53 1f22 h LYS 41 CO 0.53 0.03 -0.37 0.87 -2.00 0.00 0.00 179.45 178.52 1f22 h LYS 42 N 0.04 -0.29 0.30 0.07 1.57 -1.98 -0.20 116.57 116.08 1f22 h LYS 42 Ca 0.23 0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 59.02 1f22 h LYS 42 Cb 0.35 0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.73 1f22 h LYS 42 CO -0.45 -0.19 -0.14 0.77 -0.57 0.00 0.00 179.45 178.87 1f22 h SER 43 N -0.30 -0.34 -1.00 0.86 0.02 -1.63 -2.91 113.55 108.24 1f22 h SER 43 Ca 0.15 0.01 0.09 0.00 -0.84 0.00 0.00 61.79 61.21 1f22 h SER 43 Cb 0.56 0.09 -0.12 0.00 0.14 0.00 0.00 62.40 63.07 1f22 h SER 43 CO -0.54 -0.18 -0.58 0.00 -1.14 0.00 0.00 176.83 174.39 1f22 h ALA 44 N -1.69 -0.52 0.00 3.77 0.00 -0.38 -0.66 119.26 119.78 1f22 h ALA 44 Ca -0.04 0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1f22 h ALA 44 Cb 0.31 1.36 -0.00 0.00 0.00 0.00 0.00 17.79 19.46 1f22 h ALA 44 CO 0.07 -0.96 -0.10 0.45 0.00 0.00 0.00 179.25 178.72 1f22 h HIS 45 N -0.00 0.00 0.00 0.00 3.86 -1.17 -0.18 115.15 117.65 1f22 h HIS 45 Ca 0.17 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.38 1f22 h HIS 45 Cb 0.42 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.89 1f22 h HIS 45 CO -1.02 0.10 0.00 1.17 0.86 0.00 0.00 177.93 179.04 1f22 n LYS 46 N -3.15 0.00 -2.91 2.45 0.00 -0.54 -4.71 118.16 109.31 1f22 n LYS 46 Ca 0.03 0.28 -0.13 0.00 0.00 0.00 0.00 58.31 58.48 1f22 n LYS 46 Cb 0.50 -0.75 0.01 0.00 0.00 0.00 0.00 35.03 34.78 1f22 n LYS 46 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1f22 n ASP 47 N -1.97 -1.91 0.00 3.14 8.00 -0.37 -4.59 116.55 118.86 1f22 n ASP 47 Ca 0.00 -3.06 0.00 0.00 0.71 0.00 0.00 54.79 52.44 1f22 n ASP 47 Cb 0.00 0.99 0.00 0.00 -0.02 0.00 0.00 41.12 42.09 1f22 n ASP 47 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1f22 n ALA 48 N 1.69 1.28 0.17 2.24 0.00 -1.07 -4.86 120.51 119.96 1f22 n ALA 48 Ca 0.14 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.45 1f22 n ALA 48 Cb 0.59 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.97 1f22 n ALA 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1f22 n LYS 50 N -5.14 1.27 0.09 0.00 4.81 -0.10 -1.45 118.16 117.63 1f22 n LYS 50 Ca -0.09 -0.56 0.00 0.00 -0.87 0.00 0.00 58.31 56.79 1f22 n LYS 50 Cb 0.28 -1.22 0.00 0.00 0.02 0.00 0.00 35.03 34.11 1f22 n LYS 50 CO 0.00 0.00 0.00 -2.37 1.17 0.00 0.00 177.40 176.20 1f22 n THR 51 N 0.77 0.00 -0.30 3.15 5.66 -1.25 -4.81 114.28 117.49 1f22 n THR 51 Ca 0.11 0.00 -0.01 0.00 -3.05 0.00 0.00 64.05 61.10 1f22 n THR 51 Cb 0.59 -0.44 0.17 0.00 -1.55 0.00 0.00 70.33 69.11 1f22 n THR 51 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1f22 h HIS 53 N 1.20 0.73 -0.06 0.00 -0.00 -1.50 -2.76 115.15 112.76 1f22 h HIS 53 Ca 0.32 0.02 0.02 0.00 -0.00 0.00 0.00 60.37 60.73 1f22 h HIS 53 Cb -0.13 -0.24 -0.00 0.00 -0.00 0.00 0.00 27.41 27.04 1f22 h HIS 53 CO 0.00 0.44 0.06 0.87 -0.00 0.00 0.00 177.93 179.31 1f22 h LYS 54 N 0.77 0.00 -0.84 2.45 1.57 -0.99 0.46 116.57 119.98 1f22 h LYS 54 Ca 0.23 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.01 1f22 h LYS 54 Cb -0.01 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.30 1f22 h LYS 54 CO -0.06 0.00 0.00 0.43 -0.57 0.00 0.00 179.45 179.25 1f22 n SER 55 N -3.98 0.84 0.01 0.86 7.64 -1.04 -4.55 113.62 113.40 1f22 n SER 55 Ca -0.01 -1.71 0.00 0.00 1.01 0.00 0.00 58.87 58.15 1f22 n SER 55 Cb 0.16 -0.42 0.00 0.00 -1.01 0.00 0.00 64.21 62.94 1f22 n SER 55 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1f22 n ASN 56 N 0.06 -0.20 -4.67 6.43 0.23 0.36 -5.13 115.26 112.35 1f22 n ASN 56 Ca 0.00 0.06 -0.38 0.00 -0.53 0.00 0.00 54.58 53.73 1f22 n ASN 56 Cb 0.21 0.44 -0.08 0.00 -2.08 0.00 0.00 39.78 38.27 1f22 n ASN 56 CO 0.00 0.00 0.00 0.21 -0.93 0.00 0.00 177.26 176.54 1f22 s ASN 57 N -1.08 6.39 -0.97 0.53 3.84 0.13 -5.04 114.94 118.74 1f22 s ASN 57 Ca 0.00 0.45 -0.06 0.00 0.21 0.00 0.00 52.86 53.46 1f22 s ASN 57 Cb 0.00 -2.21 0.24 0.00 -0.55 0.00 0.00 41.25 38.73 1f22 s ASN 57 CO 0.00 -0.07 0.90 -0.83 -2.79 0.00 0.00 177.10 174.32 1f22 s GLY 58 N 1.08 3.08 0.99 1.21 0.00 -1.26 -3.89 107.32 108.53 1f22 s GLY 58 Ca 0.17 -3.77 -0.12 0.00 0.00 0.00 0.00 44.72 41.00 1f22 s GLY 58 CO 0.08 1.25 1.08 2.56 0.00 0.00 0.00 173.10 178.07 1f22 s PRO 59 N -1.14 0.48 0.01 2.90 0.04 -1.26 -4.97 135.00 131.07 1f22 s PRO 59 Ca 0.28 0.80 0.00 0.00 0.04 0.00 0.00 61.00 62.11 1f22 s PRO 59 Cb -0.09 -1.72 0.00 0.00 0.04 0.00 0.00 34.50 32.73 1f22 s PRO 59 CO -0.10 -2.76 0.00 2.41 0.04 0.00 0.00 177.00 176.59 1f22 n THR 60 N -4.24 0.00 -3.14 1.26 -1.04 -1.26 -4.91 114.28 100.95 1f22 n THR 60 Ca 0.06 0.00 -0.33 0.00 -2.04 0.00 0.00 64.05 61.74 1f22 n THR 60 Cb 0.55 -0.07 -0.04 0.00 -1.82 0.00 0.00 70.33 68.95 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 -2.52 3.50 0.00 -2.82 4.76 -1.26 -5.06 118.16 114.75 1f22 n LYS 61 Ca 0.00 -4.68 0.00 0.00 -2.87 0.00 0.00 58.31 50.76 1f22 n LYS 61 Cb 0.00 -2.34 0.00 0.00 -1.84 0.00 0.00 35.03 30.85 1f22 n LYS 61 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1f22 n GLY 63 N 0.00 1.53 0.41 0.00 0.00 -1.26 -4.75 105.19 101.12 1f22 n GLY 63 Ca 0.00 -0.10 0.20 0.00 0.00 0.00 0.00 46.02 46.11 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 0.00 0.00 -0.02 0.00 -1.98 -3.33 103.07 97.74 1f22 h GLY 64 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1f22 h GLY 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.54 1f22 s HIS 66 N -2.00 2.69 -1.28 0.00 4.02 -1.25 -3.86 115.29 113.61 1f22 s HIS 66 Ca 0.00 0.75 -0.18 0.00 1.02 0.00 0.00 55.06 56.66 1f22 s HIS 66 Cb 0.00 -3.66 0.01 0.00 -1.02 0.00 0.00 32.58 27.91 1f22 s HIS 66 CO 0.00 -2.50 1.93 -0.89 1.02 0.00 0.00 174.74 174.30 1f22 n ILE 67 N 5.00 3.28 -0.06 0.60 2.08 0.05 -4.51 119.36 125.81 1f22 n ILE 67 Ca 0.14 -3.21 0.00 0.00 0.56 0.00 0.00 62.75 60.24 1f22 n ILE 67 Cb 0.44 -2.40 0.00 0.00 -0.75 0.00 0.00 39.64 36.93 1f22 n ILE 67 CO 0.00 0.00 0.00 1.17 0.56 0.00 0.00 176.55 178.28