#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 -0.08 -4.54 0.00 5.75 -1.26 -4.29 116.55 112.14 1f22 n ASP 2 Ca 0.00 0.53 -0.31 0.00 -0.01 0.00 0.00 54.79 54.99 1f22 n ASP 2 Cb 0.00 -0.17 -0.11 0.00 -1.03 0.00 0.00 41.12 39.80 1f22 n ASP 2 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1f22 s VAL 3 N -5.25 3.28 0.27 2.12 0.11 -1.26 0.35 120.40 120.01 1f22 s VAL 3 Ca -0.04 -0.96 0.05 0.00 -2.93 0.00 0.00 61.98 58.09 1f22 s VAL 3 Cb 0.09 -2.41 -0.06 0.00 -1.53 0.00 0.00 36.38 32.47 1f22 s VAL 3 CO 0.24 0.36 -0.02 -0.69 -3.33 0.00 0.00 175.10 171.66 1f22 s VAL 4 N -0.97 1.35 0.07 2.04 1.01 -0.19 -4.88 120.40 118.83 1f22 s VAL 4 Ca 0.16 -2.07 0.05 0.00 0.00 0.00 0.00 61.98 60.12 1f22 s VAL 4 Cb -0.11 -2.45 -0.03 0.00 0.00 0.00 0.00 36.38 33.79 1f22 s VAL 4 CO 0.07 -0.28 -0.14 0.28 0.00 0.00 0.00 175.10 175.03 1f22 s THR 5 N -3.20 1.12 -0.30 3.92 -1.32 -1.26 -0.48 115.64 114.12 1f22 s THR 5 Ca 0.30 -1.32 0.26 0.00 -1.21 0.00 0.00 61.69 59.72 1f22 s THR 5 Cb 0.05 -1.09 0.35 0.00 -1.51 0.00 0.00 72.50 70.30 1f22 s THR 5 CO 0.11 -0.23 1.72 1.88 -2.21 0.00 0.00 174.62 175.89 1f22 h TYR 6 N 4.26 0.00 -1.98 9.09 0.05 -1.57 -3.49 116.97 123.33 1f22 h TYR 6 Ca -0.41 0.00 0.06 0.00 0.05 0.00 0.00 58.73 58.43 1f22 h TYR 6 Cb 1.19 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.92 1f22 h TYR 6 CO 0.63 0.00 -0.08 -1.91 -1.05 0.00 0.00 178.16 175.75 1f22 n GLU 7 N -3.06 -0.45 0.00 4.88 0.00 -1.26 -4.92 120.64 115.82 1f22 n GLU 7 Ca 0.03 0.30 0.00 0.00 0.00 0.00 0.00 57.16 57.49 1f22 n GLU 7 Cb 0.46 -0.55 0.00 0.00 0.00 0.00 0.00 31.44 31.35 1f22 n GLU 7 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.13 177.40 1f22 n ASN 8 N -2.81 0.00 0.07 4.31 0.23 -1.26 -3.44 115.26 112.36 1f22 n ASN 8 Ca 0.00 0.00 -0.09 0.00 -0.53 0.00 0.00 54.58 53.96 1f22 n ASN 8 Cb 0.10 0.00 0.03 0.00 -2.08 0.00 0.00 39.78 37.83 1f22 n ASN 8 CO 0.00 0.00 0.00 0.50 -0.93 0.00 0.00 177.26 176.83 1f22 h LYS 9 N 0.00 0.32 0.23 -3.83 1.63 -2.01 -2.82 116.57 110.09 1f22 h LYS 9 Ca 0.00 -0.28 0.01 0.00 -0.85 0.00 0.00 60.65 59.53 1f22 h LYS 9 Cb 0.00 0.06 -0.04 0.00 -0.60 0.00 0.00 32.23 31.66 1f22 h LYS 9 CO 0.00 0.94 -0.41 0.87 -3.45 0.00 0.00 179.45 177.40 1f22 h LYS 10 N 0.21 -0.69 0.00 1.90 1.79 -2.01 -3.46 116.57 114.31 1f22 h LYS 10 Ca -0.03 0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.48 1f22 h LYS 10 Cb 1.34 0.16 0.00 0.00 -1.58 0.00 0.00 32.23 32.15 1f22 h LYS 10 CO 0.13 -0.46 0.00 0.41 -1.08 0.00 0.00 179.45 178.44 1f22 n GLY 11 N -1.48 -0.09 3.32 3.86 0.00 -1.09 -4.68 105.19 105.04 1f22 n GLY 11 Ca -0.08 0.76 -0.56 0.00 0.00 0.00 0.00 46.02 46.14 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 1.13 -4.55 1.61 5.03 -1.08 -4.32 115.26 113.07 1f22 n ASN 12 Ca 0.00 0.56 -0.41 0.00 0.87 0.00 0.00 54.58 55.61 1f22 n ASN 12 Cb 0.00 -1.01 -0.03 0.00 -1.02 0.00 0.00 39.78 37.72 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 6.61 3.65 0.21 2.41 1.01 -1.22 -4.52 120.40 128.56 1f22 s VAL 13 Ca 1.18 0.38 -0.29 0.00 0.00 0.00 0.00 61.98 63.24 1f22 s VAL 13 Cb -1.29 -4.72 -0.08 0.00 0.00 0.00 0.00 36.38 30.29 1f22 s VAL 13 CO 0.60 -1.65 0.92 -0.89 0.00 0.00 0.00 175.10 174.07 1f22 s THR 14 N 6.40 4.16 -0.12 3.92 2.01 -1.26 -1.31 115.64 129.44 1f22 s THR 14 Ca 0.42 2.02 -0.06 0.00 0.31 0.00 0.00 61.69 64.38 1f22 s THR 14 Cb -0.09 -4.30 0.05 0.00 0.01 0.00 0.00 72.50 68.17 1f22 s THR 14 CO 0.16 0.48 0.28 0.72 -0.69 0.00 0.00 174.62 175.58 1f22 s PHE 15 N -1.05 -0.38 -1.08 4.92 -0.71 0.37 -4.97 117.98 115.09 1f22 s PHE 15 Ca 0.41 0.88 -0.21 0.00 -1.04 0.00 0.00 56.93 56.97 1f22 s PHE 15 Cb -0.25 0.09 0.08 0.00 -1.21 0.00 0.00 43.02 41.73 1f22 s PHE 15 CO 0.31 -0.25 1.45 -0.51 -1.34 0.00 0.00 175.22 174.88 1f22 s ASP 16 N 1.21 6.64 0.05 1.98 1.11 -1.26 -1.02 116.67 125.38 1f22 s ASP 16 Ca -0.09 -1.88 -0.15 0.00 0.18 0.00 0.00 52.55 50.61 1f22 s ASP 16 Cb -0.09 -2.53 -0.06 0.00 1.07 0.00 0.00 42.92 41.31 1f22 s ASP 16 CO -0.09 -1.30 1.25 -0.74 1.18 0.00 0.00 175.17 175.47 1f22 h HIS 17 N 8.97 -0.72 -0.11 4.23 2.76 -0.37 -0.50 115.15 129.40 1f22 h HIS 17 Ca 0.25 0.03 0.03 0.00 -2.20 0.00 0.00 60.37 58.48 1f22 h HIS 17 Cb 0.97 0.32 -0.04 0.00 1.55 0.00 0.00 27.41 30.22 1f22 h HIS 17 CO 1.28 -0.25 -0.11 -0.22 -1.30 0.00 0.00 177.93 177.32 1f22 h LYS 18 N -0.28 -0.13 -0.26 5.26 3.64 -1.25 0.31 116.57 123.86 1f22 h LYS 18 Ca 0.01 0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.44 1f22 h LYS 18 Cb 0.32 0.03 -0.07 0.00 -0.41 0.00 0.00 32.23 32.09 1f22 h LYS 18 CO -0.18 -0.09 -0.52 0.00 -2.27 0.00 0.00 179.45 176.39 1f22 h ALA 19 N 0.93 -0.77 -0.80 5.00 0.00 -1.73 0.21 119.26 122.09 1f22 h ALA 19 Ca 0.08 -0.02 0.13 0.00 0.00 0.00 0.00 54.91 55.10 1f22 h ALA 19 Cb 0.25 1.02 -0.09 0.00 0.00 0.00 0.00 17.79 18.97 1f22 h ALA 19 CO -0.19 -1.04 0.40 0.45 0.00 0.00 0.00 179.25 178.87 1f22 h HIS 20 N -0.48 0.71 0.18 0.00 3.86 -0.69 0.86 115.15 119.59 1f22 h HIS 20 Ca 0.06 0.03 0.01 0.00 -1.16 0.00 0.00 60.37 59.31 1f22 h HIS 20 Cb 0.64 -0.20 -0.02 0.00 1.06 0.00 0.00 27.41 28.89 1f22 h HIS 20 CO -0.63 0.19 -0.19 0.00 0.86 0.00 0.00 177.93 178.16 1f22 h ALA 21 N 1.52 -0.38 -0.01 2.45 0.00 0.12 0.57 119.26 123.52 1f22 h ALA 21 Ca 0.42 -0.05 -0.19 0.00 0.00 0.00 0.00 54.91 55.09 1f22 h ALA 21 Cb 0.56 0.28 0.01 0.00 0.00 0.00 0.00 17.79 18.64 1f22 h ALA 21 CO -0.34 -0.74 -0.73 1.05 0.00 0.00 0.00 179.25 178.49 1f22 h GLU 22 N -0.41 0.51 -0.33 0.00 4.11 -0.18 0.65 114.58 118.93 1f22 h GLU 22 Ca 0.00 -0.54 0.07 0.00 0.07 0.00 0.00 59.36 58.96 1f22 h GLU 22 Cb 0.39 0.15 -0.07 0.00 0.50 0.00 0.00 28.75 29.73 1f22 h GLU 22 CO -0.06 1.17 -0.10 0.87 0.07 0.00 0.00 179.01 180.97 1f22 h LYS 23 N 0.07 -0.03 0.00 1.06 1.79 -0.86 -3.37 116.57 115.23 1f22 h LYS 23 Ca -0.09 0.00 -0.06 0.00 -2.18 0.00 0.00 60.65 58.32 1f22 h LYS 23 Cb 1.42 0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 32.07 1f22 h LYS 23 CO 0.14 -0.02 -1.06 1.28 -1.08 0.00 0.00 179.45 178.72 1f22 n LEU 24 N -5.29 1.91 0.00 2.94 4.77 0.19 -5.08 117.00 116.44 1f22 n LEU 24 Ca 0.01 0.41 0.00 0.00 -0.03 0.00 0.00 56.01 56.40 1f22 n LEU 24 Cb 0.20 -0.79 0.00 0.00 -2.33 0.00 0.00 43.42 40.50 1f22 n LEU 24 CO 0.17 -0.20 0.00 0.61 -1.33 0.00 0.00 177.39 176.64 1f22 n GLY 25 N 1.48 -0.35 0.00 -0.72 0.00 0.23 -4.92 105.19 100.90 1f22 n GLY 25 Ca -0.18 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.04 -0.31 0.00 5.75 -1.05 -0.52 116.55 120.38 1f22 n ASP 27 Ca 0.00 0.88 0.23 0.00 -0.01 0.00 0.00 54.79 55.90 1f22 n ASP 27 Cb 0.00 -0.33 0.44 0.00 -1.03 0.00 0.00 41.12 40.20 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 -3.34 0.77 0.00 2.12 0.00 -1.26 -3.70 120.51 115.10 1f22 n ALA 28 Ca 0.13 0.98 0.00 0.00 0.00 0.00 0.00 53.44 54.54 1f22 n ALA 28 Cb 0.42 -0.87 0.00 0.00 0.00 0.00 0.00 19.45 19.01 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 -1.53 1.45 0.00 0.00 3.76 0.32 -5.10 115.29 114.18 1f22 s HIS 30 Ca 0.00 -0.49 0.00 0.00 -0.15 0.00 0.00 55.06 54.42 1f22 s HIS 30 Cb 0.00 -1.04 0.00 0.00 1.11 0.00 0.00 32.58 32.65 1f22 s HIS 30 CO 0.00 -0.23 0.00 0.39 -0.85 0.00 0.00 174.74 174.05 1f22 n GLU 31 N 3.62 0.00 -0.26 1.40 1.02 -1.26 -2.53 120.64 122.63 1f22 n GLU 31 Ca -0.21 0.00 0.06 0.00 -0.02 0.00 0.00 57.16 56.98 1f22 n GLU 31 Cb 0.52 0.00 0.19 0.00 -0.02 0.00 0.00 31.44 32.13 1f22 n GLU 31 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 1f22 h GLY 32 N 0.00 1.13 -5.52 0.62 0.00 -2.00 -3.40 103.07 93.90 1f22 h GLY 32 Ca 0.00 -0.11 -0.20 0.00 0.00 0.00 0.00 47.33 47.02 1f22 h GLY 32 CO 0.00 -0.14 -0.56 -1.08 0.00 0.00 0.00 176.54 174.76 1f22 s THR 33 N -6.02 -0.00 0.11 4.70 -1.32 -1.26 -5.16 115.64 106.68 1f22 s THR 33 Ca -0.12 0.02 -0.02 0.00 -1.21 0.00 0.00 61.69 60.35 1f22 s THR 33 Cb 0.21 -0.20 0.03 0.00 -1.51 0.00 0.00 72.50 71.02 1f22 s THR 33 CO 0.76 0.01 0.15 -0.81 -2.21 0.00 0.00 174.62 172.51 1f22 n PRO 34 N 3.11 -0.22 0.00 7.08 -0.04 -1.26 -5.00 135.00 138.68 1f22 n PRO 34 Ca -0.14 -0.23 0.00 0.00 -0.04 0.00 0.00 63.50 63.10 1f22 n PRO 34 Cb 0.58 -0.15 0.00 0.00 -0.04 0.00 0.00 33.50 33.89 1f22 n PRO 34 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1f22 n ALA 35 N -3.10 0.00 0.00 0.55 0.00 -1.26 -5.12 120.51 111.57 1f22 n ALA 35 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1f22 n ALA 35 Cb 0.06 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.51 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 -0.44 0.00 0.11 0.00 2.85 -1.26 -5.13 118.16 114.29 1f22 n LYS 36 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1f22 n LYS 36 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 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 -1.14 0.17 -1.58 0.58 5.41 -1.26 -5.10 119.36 116.44 1f22 n ILE 37 Ca 0.00 0.06 -0.00 0.00 1.00 0.00 0.00 62.75 63.81 1f22 n ILE 37 Cb 0.00 -0.68 0.00 0.00 -0.71 0.00 0.00 39.64 38.25 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 -3.36 -2.18 -3.00 -1.39 0.00 -1.26 -5.02 120.51 104.30 1f22 n ALA 38 Ca 0.00 0.03 -0.44 0.00 0.00 0.00 0.00 53.44 53.03 1f22 n ALA 38 Cb 0.01 -0.14 -0.04 0.00 0.00 0.00 0.00 19.45 19.28 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 -2.18 4.62 0.16 0.00 -1.09 -1.26 -4.96 121.20 116.49 1f22 s ILE 39 Ca 0.01 -0.78 0.01 0.00 -2.23 0.00 0.00 60.65 57.65 1f22 s ILE 39 Cb -0.00 -4.59 0.01 0.00 -1.58 0.00 0.00 42.46 36.30 1f22 s ILE 39 CO 0.04 -1.29 0.05 -0.90 -1.23 0.00 0.00 174.94 171.62 1f22 n ASP 40 N 6.89 2.07 -3.43 3.58 5.75 -1.26 -4.68 116.55 125.48 1f22 n ASP 40 Ca -0.05 -1.65 -0.43 0.00 -0.01 0.00 0.00 54.79 52.65 1f22 n ASP 40 Cb 0.44 0.06 -0.05 0.00 -1.03 0.00 0.00 41.12 40.54 1f22 n ASP 40 CO 0.00 0.00 0.00 2.29 -0.11 0.00 0.00 177.20 179.38 1f22 n LYS 41 N -0.60 0.00 0.00 0.11 2.85 -1.26 -0.62 118.16 118.64 1f22 n LYS 41 Ca -0.04 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.22 1f22 n LYS 41 Cb 0.20 -1.07 0.00 0.00 -0.65 0.00 0.00 35.03 33.51 1f22 n LYS 41 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 1f22 n LYS 42 N 1.07 0.00 0.47 -1.58 4.81 -1.26 -4.64 118.16 117.03 1f22 n LYS 42 Ca 0.15 0.00 -0.19 0.00 -0.87 0.00 0.00 58.31 57.40 1f22 n LYS 42 Cb 0.09 0.00 -0.09 0.00 0.02 0.00 0.00 35.03 35.05 1f22 n LYS 42 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 1f22 h SER 43 N 0.00 -1.00 -0.93 3.14 0.87 -1.47 0.29 113.55 114.45 1f22 h SER 43 Ca 0.00 0.03 0.16 0.00 -1.23 0.00 0.00 61.79 60.75 1f22 h SER 43 Cb 0.00 0.26 -0.16 0.00 -0.44 0.00 0.00 62.40 62.06 1f22 h SER 43 CO 0.00 -0.68 -0.34 0.00 -0.53 0.00 0.00 176.83 175.28 1f22 h ALA 44 N -1.18 0.26 0.00 6.23 0.00 -1.13 0.17 119.26 123.61 1f22 h ALA 44 Ca -0.12 0.29 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1f22 h ALA 44 Cb 0.91 0.90 0.00 0.00 0.00 0.00 0.00 17.79 19.61 1f22 h ALA 44 CO 0.20 -0.57 0.00 0.72 0.00 0.00 0.00 179.25 179.60 1f22 n HIS 45 N -5.50 0.90 0.00 0.00 -0.00 -1.02 -1.10 115.22 108.50 1f22 n HIS 45 Ca 0.11 0.32 0.00 0.00 -0.00 0.00 0.00 57.72 58.15 1f22 n HIS 45 Cb 0.41 -1.02 0.00 0.00 -0.00 0.00 0.00 29.99 29.38 1f22 n HIS 45 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.34 177.51 1f22 n LYS 46 N -2.29 0.00 -0.01 -0.41 4.81 0.99 -4.69 118.16 116.56 1f22 n LYS 46 Ca 0.03 0.00 0.01 0.00 -0.87 0.00 0.00 58.31 57.48 1f22 n LYS 46 Cb 0.30 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.31 1f22 n LYS 46 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1f22 n ASP 47 N 0.00 4.04 -0.17 3.14 8.00 -1.24 -4.29 116.55 126.03 1f22 n ASP 47 Ca 0.00 0.00 -0.07 0.00 0.71 0.00 0.00 54.79 55.43 1f22 n ASP 47 Cb 0.00 0.96 -0.01 0.00 -0.02 0.00 0.00 41.12 42.05 1f22 n ASP 47 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1f22 h ALA 48 N 0.31 -0.17 0.00 2.24 0.00 -1.65 -3.24 119.26 116.76 1f22 h ALA 48 Ca -0.04 0.13 -0.20 0.00 0.00 0.00 0.00 54.91 54.79 1f22 h ALA 48 Cb 0.59 0.80 -0.03 0.00 0.00 0.00 0.00 17.79 19.15 1f22 h ALA 48 CO 0.00 -0.73 -1.57 0.00 0.00 0.00 0.00 179.25 176.95 1f22 n LYS 50 N -3.82 0.94 0.15 0.00 4.81 -0.25 -2.81 118.16 117.18 1f22 n LYS 50 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.18 1f22 n LYS 50 Cb 0.62 -1.03 0.00 0.00 0.02 0.00 0.00 35.03 34.64 1f22 n LYS 50 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 1f22 n THR 51 N 1.34 0.00 -0.30 3.15 -1.04 -1.22 -4.74 114.28 111.46 1f22 n THR 51 Ca 0.00 0.00 0.14 0.00 -2.04 0.00 0.00 64.05 62.15 1f22 n THR 51 Cb 0.47 -0.41 0.30 0.00 -1.82 0.00 0.00 70.33 68.87 1f22 n THR 51 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1f22 h HIS 53 N 0.24 0.00 -0.04 0.00 -0.00 -1.87 -3.38 115.15 110.11 1f22 h HIS 53 Ca 0.56 0.00 -0.68 0.00 -0.00 0.00 0.00 60.37 60.25 1f22 h HIS 53 Cb 1.14 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 28.53 1f22 h HIS 53 CO -0.23 0.08 2.80 1.63 -0.00 0.00 0.00 177.93 182.21 1f22 n LYS 54 N -4.25 2.41 0.00 2.45 4.01 0.21 -1.17 118.16 121.82 1f22 n LYS 54 Ca -0.03 -2.38 0.00 0.00 -0.51 0.00 0.00 58.31 55.39 1f22 n LYS 54 Cb 0.16 -3.18 0.00 0.00 -0.51 0.00 0.00 35.03 31.49 1f22 n LYS 54 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 1f22 n SER 55 N 6.76 0.00 -0.12 4.39 2.88 -1.26 -4.97 113.62 121.30 1f22 n SER 55 Ca 0.51 0.00 -0.19 0.00 -1.33 0.00 0.00 58.87 57.86 1f22 n SER 55 Cb 0.40 0.09 -0.10 0.00 -0.75 0.00 0.00 64.21 63.85 1f22 n SER 55 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 1f22 n ASN 56 N -1.55 2.09 -4.60 -3.46 0.23 -0.71 -4.96 115.26 102.30 1f22 n ASN 56 Ca 0.00 -0.02 -0.43 0.00 -0.53 0.00 0.00 54.58 53.60 1f22 n ASN 56 Cb 0.00 -0.45 -0.02 0.00 -2.08 0.00 0.00 39.78 37.22 1f22 n ASN 56 CO 0.00 0.00 0.00 0.20 -0.93 0.00 0.00 177.26 176.53 1f22 s ASN 57 N -6.49 6.56 0.10 0.53 -0.87 -0.32 -4.93 114.94 109.52 1f22 s ASN 57 Ca -0.32 0.64 -0.23 0.00 -1.57 0.00 0.00 52.86 51.37 1f22 s ASN 57 Cb 0.09 -2.55 -0.07 0.00 -0.02 0.00 0.00 41.25 38.71 1f22 s ASN 57 CO 0.51 -1.28 1.40 1.23 -2.57 0.00 0.00 177.10 176.38 1f22 h GLY 58 N 11.45 -1.30 -5.62 0.66 0.00 -1.92 -3.37 103.07 102.96 1f22 h GLY 58 Ca -0.24 0.80 -0.56 0.00 0.00 0.00 0.00 47.33 47.33 1f22 h GLY 58 CO 1.11 -0.28 1.10 2.56 0.00 0.00 0.00 176.54 181.03 1f22 s PRO 59 N -4.88 4.00 -0.10 4.80 0.04 -1.26 -4.88 135.00 132.71 1f22 s PRO 59 Ca -0.10 1.92 -0.09 0.00 0.04 0.00 0.00 61.00 62.78 1f22 s PRO 59 Cb 0.07 -4.00 -0.03 0.00 0.04 0.00 0.00 34.50 30.58 1f22 s PRO 59 CO 0.45 -1.05 -0.17 0.25 0.04 0.00 0.00 177.00 176.52 1f22 n THR 60 N 5.90 0.95 0.00 1.26 -2.24 -1.26 -4.42 114.28 114.48 1f22 n THR 60 Ca 0.18 0.29 0.00 0.00 -2.27 0.00 0.00 64.05 62.25 1f22 n THR 60 Cb 0.44 -2.07 0.00 0.00 -2.10 0.00 0.00 70.33 66.60 1f22 n THR 60 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 1f22 n LYS 61 N -3.80 0.00 -4.52 -0.78 2.85 -1.26 -4.89 118.16 105.77 1f22 n LYS 61 Ca -0.07 0.00 -0.25 0.00 -1.05 0.00 0.00 58.31 56.94 1f22 n LYS 61 Cb 0.25 -0.03 -0.09 0.00 -0.65 0.00 0.00 35.03 34.51 1f22 n LYS 61 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1f22 n GLY 63 N -0.86 2.95 0.31 0.00 0.00 -1.26 -4.89 105.19 101.43 1f22 n GLY 63 Ca -0.06 -0.39 0.13 0.00 0.00 0.00 0.00 46.02 45.70 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 1.33 0.00 -0.02 0.00 -1.88 -3.37 103.07 99.12 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 -0.40 -0.74 0.00 0.00 0.00 0.00 176.54 175.40 1f22 s HIS 66 N -2.00 1.94 -1.20 0.00 3.76 -1.26 -4.66 115.29 111.88 1f22 s HIS 66 Ca 0.00 0.66 -0.21 0.00 -0.15 0.00 0.00 55.06 55.36 1f22 s HIS 66 Cb 0.00 -4.18 0.00 0.00 1.11 0.00 0.00 32.58 29.51 1f22 s HIS 66 CO 0.00 -2.51 1.79 0.42 -0.85 0.00 0.00 174.74 173.59 1f22 s ILE 67 N 7.00 3.85 0.00 0.60 1.09 -1.26 -4.51 121.20 127.97 1f22 s ILE 67 Ca 0.71 -1.33 0.00 0.00 -1.10 0.00 0.00 60.65 58.93 1f22 s ILE 67 Cb -0.17 -4.88 0.00 0.00 -1.06 0.00 0.00 42.46 36.35 1f22 s ILE 67 CO 0.30 -1.58 0.00 1.17 -0.10 0.00 0.00 174.94 174.73