#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f22 h ASP 2 N 0.00 0.78 -4.44 0.00 5.19 -1.96 -3.41 116.42 112.58 1f22 h ASP 2 Ca 0.00 0.07 -0.19 0.00 -0.62 0.00 0.00 57.03 56.28 1f22 h ASP 2 Cb 0.00 -0.08 -0.24 0.00 0.18 0.00 0.00 39.33 39.19 1f22 h ASP 2 CO 0.00 0.37 -0.70 0.54 -3.12 0.00 0.00 179.24 176.33 1f22 s VAL 3 N -5.95 0.06 0.28 -1.35 0.11 -1.26 -0.62 120.40 111.67 1f22 s VAL 3 Ca -0.12 -0.51 -0.09 0.00 -2.93 0.00 0.00 61.98 58.33 1f22 s VAL 3 Cb 0.22 -0.16 0.04 0.00 -1.53 0.00 0.00 36.38 34.95 1f22 s VAL 3 CO 0.80 -0.28 0.52 0.55 -3.33 0.00 0.00 175.10 173.36 1f22 n VAL 4 N 2.24 0.00 -3.60 2.04 3.14 -0.96 -4.96 118.33 116.23 1f22 n VAL 4 Ca -0.19 -0.83 -0.14 0.00 -2.96 0.00 0.00 64.34 60.22 1f22 n VAL 4 Cb 0.57 0.73 -0.06 0.00 -1.06 0.00 0.00 33.84 34.02 1f22 n VAL 4 CO 0.00 0.00 0.00 0.28 -6.46 0.00 0.00 176.83 170.65 1f22 s THR 5 N -2.43 0.03 -0.57 1.55 -1.32 -1.26 -0.61 115.64 111.03 1f22 s THR 5 Ca 0.13 -0.26 -0.10 0.00 -1.21 0.00 0.00 61.69 60.25 1f22 s THR 5 Cb -0.03 -0.93 0.15 0.00 -1.51 0.00 0.00 72.50 70.18 1f22 s THR 5 CO 0.10 -0.14 0.46 -0.31 -2.21 0.00 0.00 174.62 172.52 1f22 s TYR 6 N -2.08 3.47 0.41 9.09 1.51 -1.21 -4.96 117.35 123.57 1f22 s TYR 6 Ca -0.07 -1.96 -0.26 0.00 -1.01 0.00 0.00 57.07 53.77 1f22 s TYR 6 Cb -0.01 -3.55 -0.10 0.00 -0.11 0.00 0.00 41.96 38.18 1f22 s TYR 6 CO 0.01 -0.97 1.35 -0.85 -1.11 0.00 0.00 175.55 173.97 1f22 n GLU 7 N 4.55 2.16 -3.77 -0.62 -0.00 -1.26 -3.17 120.64 118.54 1f22 n GLU 7 Ca -0.02 0.76 -0.10 0.00 -0.00 0.00 0.00 57.16 57.80 1f22 n GLU 7 Cb 0.41 -2.48 -0.07 0.00 -0.00 0.00 0.00 31.44 29.31 1f22 n GLU 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 1f22 s ASN 8 N -0.41 -0.04 0.21 -1.84 2.20 0.32 -4.96 114.94 110.41 1f22 s ASN 8 Ca 0.59 -0.43 -0.10 0.00 -0.94 0.00 0.00 52.86 51.97 1f22 s ASN 8 Cb -0.50 0.38 0.17 0.00 -2.00 0.00 0.00 41.25 39.30 1f22 s ASN 8 CO 0.60 -0.73 1.86 0.50 -2.94 0.00 0.00 177.10 176.39 1f22 h LYS 9 N 2.79 0.89 0.00 3.55 3.64 -2.04 -1.84 116.57 123.56 1f22 h LYS 9 Ca -0.33 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 58.99 1f22 h LYS 9 Cb 1.21 -0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 32.83 1f22 h LYS 9 CO 0.51 0.59 -0.04 -0.22 -2.27 0.00 0.00 179.45 178.01 1f22 h LYS 10 N 0.91 -0.05 0.00 1.90 1.63 -2.01 -3.49 116.57 115.46 1f22 h LYS 10 Ca 0.27 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.08 1f22 h LYS 10 Cb -0.04 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 31.60 1f22 h LYS 10 CO -0.08 -0.03 0.00 0.41 -3.45 0.00 0.00 179.45 176.29 1f22 n GLY 11 N -1.04 2.20 2.81 5.01 0.00 -0.69 -4.99 105.19 108.49 1f22 n GLY 11 Ca -0.01 0.19 -0.25 0.00 0.00 0.00 0.00 46.02 45.96 1f22 n GLY 11 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1f22 s ASN 12 N 2.00 2.00 -0.58 1.61 0.02 -1.26 -0.52 114.94 118.21 1f22 s ASN 12 Ca 0.00 -0.27 -0.26 0.00 -1.02 0.00 0.00 52.86 51.30 1f22 s ASN 12 Cb 0.00 -0.61 0.04 0.00 0.02 0.00 0.00 41.25 40.70 1f22 s ASN 12 CO 0.00 -0.18 1.10 -0.69 0.02 0.00 0.00 177.10 177.34 1f22 s VAL 13 N 1.86 4.14 -0.25 1.60 1.01 -1.19 -1.31 120.40 126.26 1f22 s VAL 13 Ca 0.04 0.60 -0.29 0.00 0.00 0.00 0.00 61.98 62.33 1f22 s VAL 13 Cb -0.13 -4.67 -0.02 0.00 0.00 0.00 0.00 36.38 31.56 1f22 s VAL 13 CO -0.07 -1.30 1.66 -0.89 0.00 0.00 0.00 175.10 174.50 1f22 s THR 14 N 4.61 3.64 -0.65 3.92 2.01 -0.03 -3.36 115.64 125.79 1f22 s THR 14 Ca 0.37 0.70 -0.25 0.00 0.31 0.00 0.00 61.69 62.83 1f22 s THR 14 Cb -0.10 -3.70 0.05 0.00 0.01 0.00 0.00 72.50 68.76 1f22 s THR 14 CO 0.22 -0.34 1.06 -0.36 -0.69 0.00 0.00 174.62 174.51 1f22 s PHE 15 N 5.61 2.60 -1.33 4.92 0.40 0.22 -4.94 117.98 125.45 1f22 s PHE 15 Ca 0.73 -0.21 -0.17 0.00 -0.60 0.00 0.00 56.93 56.68 1f22 s PHE 15 Cb -0.24 -4.34 0.06 0.00 0.51 0.00 0.00 43.02 39.01 1f22 s PHE 15 CO 0.31 -1.68 1.85 -0.25 0.70 0.00 0.00 175.22 176.15 1f22 n ASP 16 N 8.12 4.67 0.00 1.36 8.00 -1.26 -2.26 116.55 135.18 1f22 n ASP 16 Ca 0.00 -2.90 0.00 0.00 0.71 0.00 0.00 54.79 52.60 1f22 n ASP 16 Cb 0.47 -1.73 0.00 0.00 -0.02 0.00 0.00 41.12 39.84 1f22 n ASP 16 CO 0.00 0.00 0.00 1.57 -0.39 0.00 0.00 177.20 178.38 1f22 n HIS 17 N 7.91 0.00 -0.18 1.24 -0.00 -0.23 -0.20 115.22 123.76 1f22 n HIS 17 Ca 0.50 0.00 -0.01 0.00 0.46 0.00 0.00 57.72 58.67 1f22 n HIS 17 Cb 0.44 -0.42 0.08 0.00 -0.12 0.00 0.00 29.99 29.97 1f22 n HIS 17 CO 0.00 0.00 0.00 -0.22 0.46 0.00 0.00 176.34 176.58 1f22 h LYS 18 N 0.00 0.15 -0.47 1.57 3.11 -1.10 0.30 116.57 120.13 1f22 h LYS 18 Ca 0.00 -0.01 0.06 0.00 -2.81 0.00 0.00 60.65 57.89 1f22 h LYS 18 Cb 0.00 -0.03 -0.09 0.00 -1.00 0.00 0.00 32.23 31.11 1f22 h LYS 18 CO 0.00 0.10 -0.54 0.00 -2.81 0.00 0.00 179.45 176.20 1f22 h ALA 19 N 1.47 -0.71 -0.61 5.00 0.00 -1.72 0.35 119.26 123.05 1f22 h ALA 19 Ca 0.28 0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.22 1f22 h ALA 19 Cb 0.43 1.12 -0.03 0.00 0.00 0.00 0.00 17.79 19.30 1f22 h ALA 19 CO -0.43 -1.02 0.40 0.45 0.00 0.00 0.00 179.25 178.66 1f22 h HIS 20 N -0.35 0.76 -0.01 0.00 3.86 0.10 0.25 115.15 119.76 1f22 h HIS 20 Ca 0.09 0.02 0.01 0.00 -1.16 0.00 0.00 60.37 59.33 1f22 h HIS 20 Cb 0.58 -0.26 -0.01 0.00 1.06 0.00 0.00 27.41 28.78 1f22 h HIS 20 CO -0.74 0.48 -0.05 0.00 0.86 0.00 0.00 177.93 178.48 1f22 h ALA 21 N 1.62 -0.04 -0.15 2.45 0.00 0.11 0.18 119.26 123.42 1f22 h ALA 21 Ca 0.22 0.01 -0.22 0.00 0.00 0.00 0.00 54.91 54.92 1f22 h ALA 21 Cb -0.09 0.09 0.01 0.00 0.00 0.00 0.00 17.79 17.80 1f22 h ALA 21 CO -0.05 -0.54 -0.78 1.05 0.00 0.00 0.00 179.25 178.93 1f22 h GLU 22 N -0.08 0.80 -0.42 0.00 4.11 -0.07 0.57 114.58 119.49 1f22 h GLU 22 Ca 0.02 -0.65 -0.12 0.00 0.07 0.00 0.00 59.36 58.68 1f22 h GLU 22 Cb 0.11 0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 1f22 h GLU 22 CO -0.06 1.26 -0.20 0.87 0.07 0.00 0.00 179.01 180.95 1f22 h LYS 23 N 0.54 0.83 0.00 1.06 1.79 -0.90 -3.40 116.57 116.48 1f22 h LYS 23 Ca -0.05 -0.33 -0.07 0.00 -2.18 0.00 0.00 60.65 58.02 1f22 h LYS 23 Cb 1.41 -0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 32.01 1f22 h LYS 23 CO 0.16 0.96 -0.86 1.28 -1.08 0.00 0.00 179.45 179.91 1f22 n LEU 24 N -4.12 1.28 0.00 2.94 4.77 0.63 -5.07 117.00 117.43 1f22 n LEU 24 Ca 0.00 0.20 0.00 0.00 -0.03 0.00 0.00 56.01 56.18 1f22 n LEU 24 Cb 0.43 -0.47 0.00 0.00 -2.33 0.00 0.00 43.42 41.05 1f22 n LEU 24 CO 0.45 -0.28 0.00 0.61 -1.33 0.00 0.00 177.39 176.84 1f22 n GLY 25 N 2.47 -0.57 0.00 -0.72 0.00 0.20 -4.91 105.19 101.66 1f22 n GLY 25 Ca -0.12 0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1f22 n GLY 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1f22 h ASP 27 N 0.00 0.49 -0.58 0.00 5.19 -1.91 0.11 116.42 119.73 1f22 h ASP 27 Ca 0.00 0.01 0.21 0.00 -0.62 0.00 0.00 57.03 56.63 1f22 h ASP 27 Cb 0.00 -0.10 -0.11 0.00 0.18 0.00 0.00 39.33 39.31 1f22 h ASP 27 CO 0.00 0.30 0.21 0.00 -3.12 0.00 0.00 179.24 176.63 1f22 n ALA 28 N -2.49 0.49 0.00 3.45 0.00 -1.26 -2.64 120.51 118.07 1f22 n ALA 28 Ca 0.10 0.60 0.00 0.00 0.00 0.00 0.00 53.44 54.14 1f22 n ALA 28 Cb 0.32 -0.54 0.00 0.00 0.00 0.00 0.00 19.45 19.22 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 -2.03 3.48 -0.20 0.00 8.25 0.18 -4.84 115.22 120.06 1f22 n HIS 30 Ca 0.00 -3.18 -0.05 0.00 -0.26 0.00 0.00 57.72 54.23 1f22 n HIS 30 Cb 0.39 -0.36 0.05 0.00 1.12 0.00 0.00 29.99 31.19 1f22 n HIS 30 CO 0.00 0.00 0.00 1.05 0.64 0.00 0.00 176.34 178.03 1f22 h GLU 31 N 2.79 0.70 -0.87 -0.41 4.11 -1.71 -2.89 114.58 116.29 1f22 h GLU 31 Ca 0.31 -0.04 -0.56 0.00 0.07 0.00 0.00 59.36 59.13 1f22 h GLU 31 Cb 0.69 -0.16 -0.30 0.00 0.50 0.00 0.00 28.75 29.49 1f22 h GLU 31 CO 0.93 0.46 0.40 0.41 0.07 0.00 0.00 179.01 181.28 1f22 n GLY 32 N -1.26 5.61 0.00 1.06 0.00 -1.26 -4.97 105.19 104.37 1f22 n GLY 32 Ca 0.05 -2.02 0.00 0.00 0.00 0.00 0.00 46.02 44.05 1f22 n GLY 32 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1f22 n THR 33 N -0.95 -0.56 -2.13 2.61 -1.04 -1.09 -4.95 114.28 106.17 1f22 n THR 33 Ca 0.55 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 62.14 1f22 n THR 33 Cb 0.95 -0.17 -0.03 0.00 -1.82 0.00 0.00 70.33 69.26 1f22 n THR 33 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1f22 s PRO 34 N -5.22 4.30 -0.39 -2.82 0.04 -1.26 -4.88 135.00 124.76 1f22 s PRO 34 Ca 0.00 2.12 0.11 0.00 0.04 0.00 0.00 61.00 63.26 1f22 s PRO 34 Cb 0.00 -3.27 0.39 0.00 0.04 0.00 0.00 34.50 31.66 1f22 s PRO 34 CO 0.00 -0.48 1.17 0.00 0.04 0.00 0.00 177.00 177.73 1f22 n ALA 35 N 4.09 1.34 -0.70 8.56 0.00 -1.26 -5.11 120.51 127.43 1f22 n ALA 35 Ca 0.12 -1.90 0.09 0.00 0.00 0.00 0.00 53.44 51.74 1f22 n ALA 35 Cb 0.42 -1.01 -0.04 0.00 0.00 0.00 0.00 19.45 18.81 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 -0.21 -1.58 0.00 0.00 5.02 -1.26 -5.02 118.16 115.12 1f22 n LYS 36 Ca 0.04 1.25 0.00 0.00 -2.02 0.00 0.00 58.31 57.58 1f22 n LYS 36 Cb 0.80 -1.86 0.00 0.00 -0.02 0.00 0.00 35.03 33.95 1f22 n LYS 36 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 1f22 n ILE 37 N -3.24 0.00 -1.79 -0.18 5.41 -1.26 -5.09 119.36 113.20 1f22 n ILE 37 Ca -0.03 0.00 -0.00 0.00 1.00 0.00 0.00 62.75 63.71 1f22 n ILE 37 Cb 0.33 -1.25 0.00 0.00 -0.71 0.00 0.00 39.64 38.01 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 -2.87 -1.56 -2.63 -1.39 0.00 -1.26 -4.97 120.51 105.83 1f22 n ALA 38 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.03 1f22 n ALA 38 Cb 0.40 -0.46 -0.03 0.00 0.00 0.00 0.00 19.45 19.36 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 -3.01 3.91 0.43 0.00 -1.09 -1.26 -4.73 121.20 115.45 1f22 s ILE 39 Ca 0.01 0.02 0.07 0.00 -2.23 0.00 0.00 60.65 58.52 1f22 s ILE 39 Cb -0.00 -4.89 -0.02 0.00 -1.58 0.00 0.00 42.46 35.97 1f22 s ILE 39 CO 0.14 -1.78 0.34 -1.81 -1.23 0.00 0.00 174.94 170.61 1f22 s ASP 40 N 3.89 4.86 0.26 3.58 1.01 -1.26 -4.85 116.67 124.16 1f22 s ASP 40 Ca 0.34 -0.88 -0.02 0.00 0.71 0.00 0.00 52.55 52.69 1f22 s ASP 40 Cb -0.09 -0.42 0.55 0.00 1.01 0.00 0.00 42.92 43.97 1f22 s ASP 40 CO 0.10 -0.69 1.67 0.07 0.21 0.00 0.00 175.17 176.53 1f22 h LYS 41 N 1.07 0.25 -0.59 8.23 2.10 -1.97 0.30 116.57 125.96 1f22 h LYS 41 Ca -0.41 -0.01 0.10 0.00 -2.00 0.00 0.00 60.65 58.32 1f22 h LYS 41 Cb 1.27 -0.06 -0.11 0.00 -0.90 0.00 0.00 32.23 32.43 1f22 h LYS 41 CO 0.60 0.16 -0.38 -0.22 -2.00 0.00 0.00 179.45 177.61 1f22 h LYS 42 N 0.26 -0.18 0.16 0.07 1.63 -1.95 0.14 116.57 116.70 1f22 h LYS 42 Ca 0.47 0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 60.27 1f22 h LYS 42 Cb 0.85 0.04 0.00 0.00 -0.60 0.00 0.00 32.23 32.52 1f22 h LYS 42 CO -0.56 -0.12 -0.08 0.77 -3.45 0.00 0.00 179.45 176.01 1f22 h SER 43 N -0.19 -0.19 -0.92 4.20 0.02 -1.06 -2.37 113.55 113.04 1f22 h SER 43 Ca 0.21 0.00 0.12 0.00 -0.84 0.00 0.00 61.79 61.28 1f22 h SER 43 Cb 0.56 0.05 -0.13 0.00 0.14 0.00 0.00 62.40 63.01 1f22 h SER 43 CO -0.69 0.29 -0.44 0.00 -1.14 0.00 0.00 176.83 174.85 1f22 n ALA 44 N -2.76 -0.31 -0.49 3.77 0.00 0.79 -0.75 120.51 120.75 1f22 n ALA 44 Ca -0.03 0.86 0.07 0.00 0.00 0.00 0.00 53.44 54.35 1f22 n ALA 44 Cb 0.09 -0.29 0.34 0.00 0.00 0.00 0.00 19.45 19.58 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 -5.27 1.55 0.00 0.00 8.25 0.49 -3.20 115.22 117.04 1f22 n HIS 45 Ca 0.06 -0.58 0.00 0.00 -0.26 0.00 0.00 57.72 56.95 1f22 n HIS 45 Cb 0.32 -0.33 0.00 0.00 1.12 0.00 0.00 29.99 31.10 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 0.81 0.00 -0.41 -0.41 3.00 0.07 -4.96 118.16 116.25 1f22 n LYS 46 Ca 0.24 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.55 1f22 n LYS 46 Cb 0.93 -0.01 0.00 0.00 0.00 0.00 0.00 35.03 35.95 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 -0.02 0.00 0.00 3.14 8.00 -1.07 -4.94 116.55 121.65 1f22 n ASP 47 Ca 0.00 -1.73 0.00 0.00 0.71 0.00 0.00 54.79 53.77 1f22 n ASP 47 Cb 0.00 -0.15 0.00 0.00 -0.02 0.00 0.00 41.12 40.95 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 0.00 0.00 0.43 2.24 0.00 -1.12 -4.56 120.51 117.50 1f22 n ALA 48 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.25 1f22 n ALA 48 Cb 0.65 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 20.00 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 -5.55 0.83 0.17 0.00 -0.00 -1.23 -1.88 118.16 110.50 1f22 n LYS 50 Ca -0.15 -0.12 0.00 0.00 -0.00 0.00 0.00 58.31 58.04 1f22 n LYS 50 Cb 0.43 -1.27 0.00 0.00 -0.00 0.00 0.00 35.03 34.18 1f22 n LYS 50 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.40 179.81 1f22 n THR 51 N 1.83 0.00 -0.01 0.58 -1.04 -1.01 -4.65 114.28 109.97 1f22 n THR 51 Ca 0.05 0.00 -0.09 0.00 -2.04 0.00 0.00 64.05 61.97 1f22 n THR 51 Cb 0.40 -0.28 -0.03 0.00 -1.82 0.00 0.00 70.33 68.60 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 -0.19 0.41 -0.94 0.00 -0.00 -1.64 -1.99 115.15 110.80 1f22 h HIS 53 Ca 0.10 0.03 0.10 0.00 -0.00 0.00 0.00 60.37 60.60 1f22 h HIS 53 Cb 0.34 -0.09 -0.07 0.00 -0.00 0.00 0.00 27.41 27.59 1f22 h HIS 53 CO -0.28 0.11 0.60 0.87 -0.00 0.00 0.00 177.93 179.23 1f22 h LYS 54 N 0.42 0.92 0.00 2.45 1.57 -1.48 0.21 116.57 120.66 1f22 h LYS 54 Ca 0.31 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 59.00 1f22 h LYS 54 Cb 0.38 -0.21 -0.00 0.00 0.08 0.00 0.00 32.23 32.48 1f22 h LYS 54 CO -0.30 0.61 -0.14 0.66 -0.57 0.00 0.00 179.45 179.70 1f22 h SER 55 N 0.95 0.00 0.00 0.86 4.64 -1.04 -3.21 113.55 115.75 1f22 h SER 55 Ca 0.45 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.64 1f22 h SER 55 Cb 0.42 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.49 1f22 h SER 55 CO -0.21 0.14 -0.66 0.78 -0.87 0.00 0.00 176.83 176.01 1f22 h ASN 56 N 0.00 0.00 -5.00 4.97 2.35 -0.58 -3.49 115.58 113.83 1f22 h ASN 56 Ca -0.00 -0.72 -0.03 0.00 -0.55 0.00 0.00 56.30 55.00 1f22 h ASN 56 Cb 0.50 0.00 -0.14 0.00 0.05 0.00 0.00 38.32 38.73 1f22 h ASN 56 CO 0.02 1.25 0.20 0.21 -1.65 0.00 0.00 177.43 177.45 1f22 s ASN 57 N -6.54 -0.59 0.74 5.81 2.47 0.14 -5.12 114.94 111.85 1f22 s ASN 57 Ca -0.24 0.20 -0.13 0.00 0.42 0.00 0.00 52.86 53.11 1f22 s ASN 57 Cb 0.02 0.58 0.04 0.00 -1.45 0.00 0.00 41.25 40.44 1f22 s ASN 57 CO 0.62 -0.86 1.12 -0.83 -3.72 0.00 0.00 177.10 173.43 1f22 s GLY 58 N -2.30 1.92 0.38 1.21 0.00 -1.26 -3.74 107.32 103.54 1f22 s GLY 58 Ca -0.02 0.47 -0.06 0.00 0.00 0.00 0.00 44.72 45.10 1f22 s GLY 58 CO -0.06 0.84 0.34 -1.55 0.00 0.00 0.00 173.10 172.66 1f22 n PRO 59 N -3.12 -1.71 0.07 2.90 -0.04 -1.26 -5.00 135.00 126.85 1f22 n PRO 59 Ca 0.10 -0.54 0.00 0.00 -0.04 0.00 0.00 63.50 63.02 1f22 n PRO 59 Cb 0.52 -0.51 0.00 0.00 -0.04 0.00 0.00 33.50 33.47 1f22 n PRO 59 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1f22 n THR 60 N -3.26 0.00 -2.68 0.52 -1.04 -1.26 -5.05 114.28 101.51 1f22 n THR 60 Ca 0.05 0.00 -0.05 0.00 -2.04 0.00 0.00 64.05 62.01 1f22 n THR 60 Cb 0.18 -0.10 0.09 0.00 -1.82 0.00 0.00 70.33 68.69 1f22 n THR 60 CO 0.00 0.00 0.00 2.29 -0.64 0.00 0.00 175.07 176.72 1f22 n LYS 61 N -2.82 0.36 0.00 -2.82 -0.00 -1.26 -5.12 118.16 106.50 1f22 n LYS 61 Ca 0.00 -1.02 0.00 0.00 -0.00 0.00 0.00 58.31 57.29 1f22 n LYS 61 Cb 0.00 -0.45 0.00 0.00 -0.00 0.00 0.00 35.03 34.58 1f22 n LYS 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1f22 n GLY 63 N 0.00 -0.46 0.49 0.00 0.00 -1.23 -4.90 105.19 99.09 1f22 n GLY 63 Ca 0.00 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1f22 n GLY 63 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1f22 n GLY 64 N -1.33 0.48 0.82 -0.02 0.00 -1.26 -4.90 105.19 98.97 1f22 n GLY 64 Ca -0.26 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.76 1f22 n GLY 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1f22 s HIS 66 N -2.00 3.11 -1.24 0.00 4.02 -1.26 -0.85 115.29 117.07 1f22 s HIS 66 Ca 0.00 0.99 -0.18 0.00 1.02 0.00 0.00 55.06 56.89 1f22 s HIS 66 Cb 0.00 -3.60 -0.01 0.00 -1.02 0.00 0.00 32.58 27.95 1f22 s HIS 66 CO 0.00 -2.08 2.00 -0.89 1.02 0.00 0.00 174.74 174.79 1f22 n ILE 67 N 4.32 3.04 0.00 0.60 2.08 -0.43 -4.42 119.36 124.55 1f22 n ILE 67 Ca 0.12 -2.86 0.00 0.00 0.56 0.00 0.00 62.75 60.56 1f22 n ILE 67 Cb 0.44 -2.42 0.00 0.00 -0.75 0.00 0.00 39.64 36.91 1f22 n ILE 67 CO 0.00 0.00 0.00 0.29 0.56 0.00 0.00 176.55 177.40