#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 -0.02 -4.31 0.00 5.75 -1.26 -4.08 116.55 112.63 1f22 n ASP 2 Ca 0.00 0.15 -0.29 0.00 -0.01 0.00 0.00 54.79 54.64 1f22 n ASP 2 Cb 0.00 -0.05 -0.15 0.00 -1.03 0.00 0.00 41.12 39.90 1f22 n ASP 2 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1f22 s VAL 3 N -4.98 1.97 0.17 2.12 1.01 -1.26 0.17 120.40 119.60 1f22 s VAL 3 Ca -0.01 -1.30 0.01 0.00 0.00 0.00 0.00 61.98 60.67 1f22 s VAL 3 Cb 0.02 -1.69 -0.04 0.00 0.00 0.00 0.00 36.38 34.67 1f22 s VAL 3 CO 0.07 0.32 0.03 -0.69 0.00 0.00 0.00 175.10 174.83 1f22 s VAL 4 N -0.79 0.50 0.02 2.92 1.01 -0.64 -4.88 120.40 118.54 1f22 s VAL 4 Ca 0.10 -1.96 0.05 0.00 0.00 0.00 0.00 61.98 60.17 1f22 s VAL 4 Cb -0.10 -2.14 -0.02 0.00 0.00 0.00 0.00 36.38 34.12 1f22 s VAL 4 CO 0.02 -0.43 -0.15 0.28 0.00 0.00 0.00 175.10 174.82 1f22 s THR 5 N -3.78 1.16 -0.53 3.92 -1.32 -1.26 -0.87 115.64 112.96 1f22 s THR 5 Ca 0.25 -0.87 -0.27 0.00 -1.21 0.00 0.00 61.69 59.59 1f22 s THR 5 Cb 0.07 -1.02 0.03 0.00 -1.51 0.00 0.00 72.50 70.07 1f22 s THR 5 CO 0.04 0.13 1.09 -0.31 -2.21 0.00 0.00 174.62 173.37 1f22 s TYR 6 N -0.66 2.74 -1.09 9.09 2.02 0.11 -4.92 117.35 124.63 1f22 s TYR 6 Ca 0.03 0.40 -0.19 0.00 -0.37 0.00 0.00 57.07 56.95 1f22 s TYR 6 Cb -0.07 -4.34 -0.06 0.00 -0.40 0.00 0.00 41.96 37.09 1f22 s TYR 6 CO 0.01 -1.40 2.04 0.39 -1.57 0.00 0.00 175.55 175.02 1f22 n GLU 7 N 7.94 2.13 -2.26 -0.62 1.02 -1.26 -0.37 120.64 127.22 1f22 n GLU 7 Ca 0.08 -2.25 -0.35 0.00 -0.02 0.00 0.00 57.16 54.63 1f22 n GLU 7 Cb 0.49 -3.13 -0.00 0.00 -0.02 0.00 0.00 31.44 28.77 1f22 n GLU 7 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1f22 s ASN 8 N 4.30 5.79 0.35 1.62 2.20 -1.26 -4.79 114.94 123.14 1f22 s ASN 8 Ca 0.54 2.10 0.13 0.00 -0.94 0.00 0.00 52.86 54.69 1f22 s ASN 8 Cb 0.13 -2.57 0.63 0.00 -2.00 0.00 0.00 41.25 37.44 1f22 s ASN 8 CO 0.03 -1.17 1.76 0.50 -2.94 0.00 0.00 177.10 175.28 1f22 h LYS 9 N 1.14 0.00 -0.12 3.55 3.64 -2.00 -0.24 116.57 122.54 1f22 h LYS 9 Ca -0.50 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 58.90 1f22 h LYS 9 Cb 1.25 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.06 1f22 h LYS 9 CO 0.57 0.44 -0.07 1.63 -2.27 0.00 0.00 179.45 179.75 1f22 n LYS 10 N -3.92 -0.05 0.00 1.90 4.76 -1.26 -4.78 118.16 114.81 1f22 n LYS 10 Ca -0.01 0.86 0.00 0.00 -2.87 0.00 0.00 58.31 56.29 1f22 n LYS 10 Cb 0.48 -1.29 0.00 0.00 -1.84 0.00 0.00 35.03 32.38 1f22 n LYS 10 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1f22 n GLY 11 N -1.03 0.00 1.97 0.72 0.00 -0.96 -4.76 105.19 101.13 1f22 n GLY 11 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -7.61 -4.58 1.61 5.03 -0.14 -3.53 115.26 106.03 1f22 n ASN 12 Ca 0.00 1.35 -0.41 0.00 0.87 0.00 0.00 54.58 56.39 1f22 n ASN 12 Cb 0.00 -4.13 -0.07 0.00 -1.02 0.00 0.00 39.78 34.56 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 -0.44 4.97 0.33 2.41 1.01 0.51 -3.74 120.40 125.45 1f22 s VAL 13 Ca 0.00 0.66 -0.25 0.00 0.00 0.00 0.00 61.98 62.38 1f22 s VAL 13 Cb 0.00 -3.98 -0.10 0.00 0.00 0.00 0.00 36.38 32.31 1f22 s VAL 13 CO 0.00 -0.16 0.93 -0.89 0.00 0.00 0.00 175.10 174.98 1f22 s THR 14 N 2.52 4.25 -0.06 3.92 2.01 -1.25 -0.71 115.64 126.32 1f22 s THR 14 Ca 0.22 1.76 -0.02 0.00 0.31 0.00 0.00 61.69 63.96 1f22 s THR 14 Cb -0.15 -3.96 0.04 0.00 0.01 0.00 0.00 72.50 68.44 1f22 s THR 14 CO 0.12 0.09 0.12 0.72 -0.69 0.00 0.00 174.62 174.98 1f22 s PHE 15 N -1.68 -0.10 -0.52 4.92 -0.71 -0.05 -4.96 117.98 114.89 1f22 s PHE 15 Ca 0.51 0.44 -0.28 0.00 -1.04 0.00 0.00 56.93 56.56 1f22 s PHE 15 Cb -0.17 -0.25 0.00 0.00 -1.21 0.00 0.00 43.02 41.39 1f22 s PHE 15 CO 0.22 -0.20 1.57 -0.51 -1.34 0.00 0.00 175.22 174.97 1f22 s ASP 16 N 1.78 5.93 -0.03 1.98 1.11 -1.26 -1.63 116.67 124.55 1f22 s ASP 16 Ca -0.02 0.53 -0.14 0.00 0.18 0.00 0.00 52.55 53.10 1f22 s ASP 16 Cb -0.12 -2.54 -0.08 0.00 1.07 0.00 0.00 42.92 41.26 1f22 s ASP 16 CO -0.05 -1.82 0.63 -0.74 1.18 0.00 0.00 175.17 174.37 1f22 h HIS 17 N 12.13 -0.46 -0.19 4.23 2.76 -0.49 -2.99 115.15 130.13 1f22 h HIS 17 Ca -0.28 -0.01 0.05 0.00 -2.20 0.00 0.00 60.37 57.93 1f22 h HIS 17 Cb 1.12 0.15 -0.06 0.00 1.55 0.00 0.00 27.41 30.17 1f22 h HIS 17 CO 1.02 -0.29 -0.21 -0.22 -1.30 0.00 0.00 177.93 176.93 1f22 h LYS 18 N -0.99 -0.22 0.06 5.26 3.64 -1.06 -0.36 116.57 122.90 1f22 h LYS 18 Ca -0.05 0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.37 1f22 h LYS 18 Cb 0.38 0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 32.20 1f22 h LYS 18 CO 0.08 -0.15 -0.40 0.00 -2.27 0.00 0.00 179.45 176.72 1f22 h ALA 19 N 0.82 -0.67 -0.92 5.00 0.00 -1.76 0.11 119.26 121.85 1f22 h ALA 19 Ca 0.12 -0.05 0.11 0.00 0.00 0.00 0.00 54.91 55.09 1f22 h ALA 19 Cb 0.41 0.68 -0.07 0.00 0.00 0.00 0.00 17.79 18.82 1f22 h ALA 19 CO -0.33 -0.95 0.59 0.45 0.00 0.00 0.00 179.25 179.01 1f22 h HIS 20 N -0.60 0.97 0.30 0.00 3.86 -1.35 0.22 115.15 118.56 1f22 h HIS 20 Ca 0.04 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.27 1f22 h HIS 20 Cb 0.65 -0.31 -0.01 0.00 1.06 0.00 0.00 27.41 28.80 1f22 h HIS 20 CO -0.38 0.42 -0.21 0.00 0.86 0.00 0.00 177.93 178.63 1f22 h ALA 21 N 1.56 -0.49 -0.20 2.45 0.00 0.90 0.93 119.26 124.41 1f22 h ALA 21 Ca 0.44 -0.09 -0.16 0.00 0.00 0.00 0.00 54.91 55.09 1f22 h ALA 21 Cb 0.47 0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1f22 h ALA 21 CO -0.20 -0.79 -0.51 1.05 0.00 0.00 0.00 179.25 178.80 1f22 h GLU 22 N -0.50 0.69 -0.35 0.00 4.11 -0.40 0.69 114.58 118.83 1f22 h GLU 22 Ca -0.03 -0.48 0.06 0.00 0.07 0.00 0.00 59.36 58.98 1f22 h GLU 22 Cb 0.43 0.07 -0.06 0.00 0.50 0.00 0.00 28.75 29.69 1f22 h GLU 22 CO 0.01 1.10 -0.01 0.87 0.07 0.00 0.00 179.01 181.06 1f22 h LYS 23 N 0.40 0.09 0.00 1.06 1.79 -0.97 -3.38 116.57 115.56 1f22 h LYS 23 Ca -0.01 -0.01 -0.07 0.00 -2.18 0.00 0.00 60.65 58.39 1f22 h LYS 23 Cb 1.13 -0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 31.75 1f22 h LYS 23 CO 0.11 0.06 -1.11 1.28 -1.08 0.00 0.00 179.45 178.70 1f22 n LEU 24 N -5.19 1.91 0.00 2.94 4.77 0.32 -5.08 117.00 116.67 1f22 n LEU 24 Ca 0.01 0.39 0.00 0.00 -0.03 0.00 0.00 56.01 56.39 1f22 n LEU 24 Cb 0.18 -0.78 0.00 0.00 -2.33 0.00 0.00 43.42 40.49 1f22 n LEU 24 CO 0.21 -0.18 0.00 0.61 -1.33 0.00 0.00 177.39 176.69 1f22 n GLY 25 N 1.46 -0.58 0.00 -0.72 0.00 0.24 -4.91 105.19 100.68 1f22 n GLY 25 Ca -0.19 0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.08 -0.43 0.00 5.75 -1.25 -0.31 116.55 120.22 1f22 n ASP 27 Ca 0.00 1.05 0.36 0.00 -0.01 0.00 0.00 54.79 56.19 1f22 n ASP 27 Cb 0.00 -0.38 0.67 0.00 -1.03 0.00 0.00 41.12 40.39 1f22 n ASP 27 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1f22 h ALA 28 N 1.23 2.91 0.00 2.12 0.00 -1.92 -3.14 119.26 120.46 1f22 h ALA 28 Ca 0.37 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.31 1f22 h ALA 28 Cb 0.74 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1f22 h ALA 28 CO -0.58 -1.40 -0.94 0.00 0.00 0.00 0.00 179.25 176.33 1f22 s HIS 30 N -1.99 3.55 -0.09 0.00 3.76 0.57 -4.98 115.29 116.11 1f22 s HIS 30 Ca 0.00 -2.16 -0.37 0.00 -0.15 0.00 0.00 55.06 52.39 1f22 s HIS 30 Cb 0.00 -4.28 -0.14 0.00 1.11 0.00 0.00 32.58 29.27 1f22 s HIS 30 CO 0.00 -1.37 1.69 0.39 -0.85 0.00 0.00 174.74 174.61 1f22 n GLU 31 N 5.46 1.63 0.00 1.40 1.02 -1.23 -3.14 120.64 125.78 1f22 n GLU 31 Ca 0.35 0.60 0.00 0.00 -0.02 0.00 0.00 57.16 58.09 1f22 n GLU 31 Cb 0.43 -2.34 0.00 0.00 -0.02 0.00 0.00 31.44 29.51 1f22 n GLU 31 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1f22 n GLY 32 N 3.86 1.03 3.58 0.62 0.00 -1.26 -4.72 105.19 108.30 1f22 n GLY 32 Ca 0.22 -0.02 -0.14 0.00 0.00 0.00 0.00 46.02 46.09 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 0.00 0.00 0.47 2.61 -1.32 -1.19 -4.99 115.64 111.22 1f22 s THR 33 Ca 0.00 0.00 -0.16 0.00 -1.21 0.00 0.00 61.69 60.32 1f22 s THR 33 Cb 0.00 -1.00 -0.08 0.00 -1.51 0.00 0.00 72.50 69.91 1f22 s THR 33 CO 0.00 0.00 0.92 -2.16 -2.21 0.00 0.00 174.62 171.17 1f22 s PRO 34 N -0.54 3.98 -0.45 7.08 0.04 -1.26 -4.90 135.00 138.95 1f22 s PRO 34 Ca -0.04 0.88 0.06 0.00 0.04 0.00 0.00 61.00 61.94 1f22 s PRO 34 Cb -0.02 -2.21 0.32 0.00 0.04 0.00 0.00 34.50 32.63 1f22 s PRO 34 CO 0.03 -0.15 1.14 0.00 0.04 0.00 0.00 177.00 178.06 1f22 n ALA 35 N -1.27 -0.90 -0.20 8.56 0.00 -1.26 -5.11 120.51 120.33 1f22 n ALA 35 Ca 0.06 -1.40 0.00 0.00 0.00 0.00 0.00 53.44 52.10 1f22 n ALA 35 Cb 0.54 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.72 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 0.35 0.00 0.00 0.00 2.85 -1.26 -4.98 118.16 115.12 1f22 n LYS 36 Ca 0.05 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.31 1f22 n LYS 36 Cb 0.71 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 35.09 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 -0.27 0.00 0.00 0.58 2.08 -1.26 -5.03 119.36 115.46 1f22 n ILE 37 Ca 0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 1f22 n ILE 37 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 38.89 1f22 n ILE 37 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1f22 n ALA 38 N -3.00 0.00 -2.57 -1.39 0.00 -1.26 -5.14 120.51 107.15 1f22 n ALA 38 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.03 1f22 n ALA 38 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 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 0.00 4.95 0.24 0.00 -1.09 -1.26 -4.99 121.20 119.05 1f22 s ILE 39 Ca 0.00 0.53 0.04 0.00 -2.23 0.00 0.00 60.65 58.99 1f22 s ILE 39 Cb 0.00 -4.02 -0.01 0.00 -1.58 0.00 0.00 42.46 36.85 1f22 s ILE 39 CO 0.00 -0.25 0.13 -0.90 -1.23 0.00 0.00 174.94 172.70 1f22 n ASP 40 N 5.90 0.41 -0.13 3.58 5.75 -1.26 -4.85 116.55 125.94 1f22 n ASP 40 Ca -0.03 -2.42 -0.02 0.00 -0.01 0.00 0.00 54.79 52.32 1f22 n ASP 40 Cb 0.49 0.86 -0.00 0.00 -1.03 0.00 0.00 41.12 41.43 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 -0.51 0.00 0.00 0.11 2.85 -1.26 -1.22 118.16 118.13 1f22 n LYS 41 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1f22 n LYS 41 Cb 0.40 -0.04 0.00 0.00 -0.65 0.00 0.00 35.03 34.73 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 0.08 0.00 -0.06 -1.58 4.81 -1.26 -4.66 118.16 115.50 1f22 n LYS 42 Ca 0.01 0.00 -0.08 0.00 -0.87 0.00 0.00 58.31 57.37 1f22 n LYS 42 Cb 0.00 0.00 -0.02 0.00 0.02 0.00 0.00 35.03 35.03 1f22 n LYS 42 CO 0.00 0.00 0.00 0.77 1.17 0.00 0.00 177.40 179.34 1f22 h SER 43 N 0.00 -0.02 -0.13 3.14 0.02 -1.65 0.12 113.55 115.03 1f22 h SER 43 Ca 0.00 0.04 0.01 0.00 -0.84 0.00 0.00 61.79 61.00 1f22 h SER 43 Cb 0.00 0.06 -0.02 0.00 0.14 0.00 0.00 62.40 62.59 1f22 h SER 43 CO 0.00 0.02 -0.08 0.00 -1.14 0.00 0.00 176.83 175.63 1f22 n ALA 44 N -2.33 -0.08 0.46 3.77 0.00 -0.36 -0.45 120.51 121.53 1f22 n ALA 44 Ca -0.02 0.11 0.12 0.00 0.00 0.00 0.00 53.44 53.65 1f22 n ALA 44 Cb 0.11 -0.01 0.11 0.00 0.00 0.00 0.00 19.45 19.66 1f22 n ALA 44 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1f22 h HIS 45 N 0.00 0.00 0.00 0.00 3.86 -1.14 0.16 115.15 118.02 1f22 h HIS 45 Ca 0.02 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.23 1f22 h HIS 45 Cb 0.05 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.52 1f22 h HIS 45 CO -0.15 0.00 -0.15 1.17 0.86 0.00 0.00 177.93 179.66 1f22 n LYS 46 N -2.22 0.08 -0.00 2.45 0.00 0.05 -4.39 118.16 114.13 1f22 n LYS 46 Ca 0.02 0.08 0.02 0.00 0.00 0.00 0.00 58.31 58.44 1f22 n LYS 46 Cb 0.46 -0.70 -0.04 0.00 0.00 0.00 0.00 35.03 34.76 1f22 n LYS 46 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 1f22 n ASP 47 N -2.78 3.89 0.00 3.14 5.68 0.41 -4.10 116.55 122.79 1f22 n ASP 47 Ca -0.02 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.27 1f22 n ASP 47 Cb 0.08 1.19 0.00 0.00 -1.14 0.00 0.00 41.12 41.24 1f22 n ASP 47 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1f22 n ALA 48 N -1.70 0.00 -0.00 2.12 0.00 -0.09 -4.70 120.51 116.14 1f22 n ALA 48 Ca -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.43 1f22 n ALA 48 Cb 0.16 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.61 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 -0.07 0.00 -0.47 0.00 1.57 -1.67 0.14 116.57 116.08 1f22 h LYS 50 Ca 0.00 0.00 0.08 0.00 -1.87 0.00 0.00 60.65 58.86 1f22 h LYS 50 Cb 0.01 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.25 1f22 h LYS 50 CO 0.00 0.00 0.08 0.00 -0.57 0.00 0.00 179.45 178.96 1f22 h THR 51 N 0.00 0.72 0.09 -0.16 1.03 -1.71 0.05 112.91 112.93 1f22 h THR 51 Ca 0.00 -0.07 -0.00 0.00 -0.01 0.00 0.00 66.41 66.33 1f22 h THR 51 Cb 0.05 0.50 0.00 0.00 -1.07 0.00 0.00 68.15 67.63 1f22 h THR 51 CO -0.00 0.04 -0.04 0.00 -0.01 0.00 0.00 175.52 175.51 1f22 n HIS 53 N -4.84 0.00 0.01 0.00 -0.00 0.39 -0.78 115.22 110.01 1f22 n HIS 53 Ca -0.08 -0.58 0.00 0.00 -0.00 0.00 0.00 57.72 57.06 1f22 n HIS 53 Cb 0.29 -0.37 -0.00 0.00 -0.00 0.00 0.00 29.99 29.91 1f22 n HIS 53 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 1f22 n LYS 54 N 1.46 2.97 -0.06 -0.41 5.02 -0.06 -4.57 118.16 122.52 1f22 n LYS 54 Ca 0.00 -0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.20 1f22 n LYS 54 Cb 0.33 -0.80 -0.05 0.00 -0.02 0.00 0.00 35.03 34.48 1f22 n LYS 54 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1f22 n SER 55 N -1.30 2.52 0.14 4.39 2.88 0.04 -4.76 113.62 117.53 1f22 n SER 55 Ca -0.00 -0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.44 1f22 n SER 55 Cb 0.01 -0.22 -0.06 0.00 -0.75 0.00 0.00 64.21 63.20 1f22 n SER 55 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1f22 h ASN 56 N -0.11 -0.37 -4.69 -3.46 -1.07 -1.91 -3.49 115.58 100.48 1f22 h ASN 56 Ca -0.26 -0.12 0.26 0.00 0.07 0.00 0.00 56.30 56.25 1f22 h ASN 56 Cb 1.35 0.09 -0.16 0.00 -2.07 0.00 0.00 38.32 37.53 1f22 h ASN 56 CO -0.08 0.10 0.78 0.21 0.07 0.00 0.00 177.43 178.51 1f22 s ASN 57 N -5.11 -0.14 -0.02 6.14 2.47 -1.26 -5.15 114.94 111.87 1f22 s ASN 57 Ca -0.10 -0.05 -0.30 0.00 0.42 0.00 0.00 52.86 52.83 1f22 s ASN 57 Cb 0.01 0.18 0.11 0.00 -1.45 0.00 0.00 41.25 40.10 1f22 s ASN 57 CO 0.34 -0.31 1.11 -0.83 -3.72 0.00 0.00 177.10 173.69 1f22 s GLY 58 N -2.43 -0.35 1.04 1.21 0.00 -1.26 -4.45 107.32 101.08 1f22 s GLY 58 Ca 0.10 0.86 -0.14 0.00 0.00 0.00 0.00 44.72 45.55 1f22 s GLY 58 CO -0.05 0.24 1.10 2.56 0.00 0.00 0.00 173.10 176.96 1f22 s PRO 59 N -2.76 0.08 -0.14 2.90 0.04 -1.26 -5.01 135.00 128.85 1f22 s PRO 59 Ca 0.11 0.36 -0.22 0.00 0.04 0.00 0.00 61.00 61.28 1f22 s PRO 59 Cb 0.01 -1.71 -0.25 0.00 0.04 0.00 0.00 34.50 32.59 1f22 s PRO 59 CO -0.04 -2.93 0.57 1.79 0.04 0.00 0.00 177.00 176.43 1f22 h THR 60 N -2.03 1.31 0.00 1.26 1.35 -2.02 -3.45 112.91 109.32 1f22 h THR 60 Ca -0.53 -2.34 0.00 0.00 -0.55 0.00 0.00 66.41 62.99 1f22 h THR 60 Cb 1.33 2.86 0.00 0.00 -1.73 0.00 0.00 68.15 70.61 1f22 h THR 60 CO 0.54 0.57 0.00 0.29 -0.25 0.00 0.00 175.52 176.66 1f22 n LYS 61 N -4.31 0.00 0.00 4.72 4.76 -1.26 -5.17 118.16 116.90 1f22 n LYS 61 Ca -0.21 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.23 1f22 n LYS 61 Cb 0.69 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.88 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 2.00 2.17 0.41 0.00 0.00 -1.24 -4.72 105.19 103.80 1f22 n GLY 63 Ca 0.00 -0.04 0.24 0.00 0.00 0.00 0.00 46.02 46.22 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 1.30 0.00 -0.02 0.00 -1.92 -3.38 103.07 99.05 1f22 h GLY 64 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 47.33 47.12 1f22 h GLY 64 CO 0.00 -0.18 -0.24 0.00 0.00 0.00 0.00 176.54 176.12 1f22 s HIS 66 N -2.00 3.09 -1.30 0.00 4.02 -1.26 -3.84 115.29 114.00 1f22 s HIS 66 Ca 0.00 0.78 -0.09 0.00 1.02 0.00 0.00 55.06 56.77 1f22 s HIS 66 Cb 0.00 -3.85 -0.09 0.00 -1.02 0.00 0.00 32.58 27.61 1f22 s HIS 66 CO 0.00 -3.05 3.01 -0.89 1.02 0.00 0.00 174.74 174.84 1f22 n ILE 67 N 3.62 4.18 0.00 0.60 -0.00 -1.23 -4.13 119.36 122.40 1f22 n ILE 67 Ca 0.12 -2.60 0.00 0.00 -0.00 0.00 0.00 62.75 60.27 1f22 n ILE 67 Cb 0.40 -2.43 0.00 0.00 -0.00 0.00 0.00 39.64 37.60 1f22 n ILE 67 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.55 177.72