#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f22 s ASP 2 N 0.00 3.43 0.01 0.00 -4.77 -1.26 -2.22 116.67 111.86 1f22 s ASP 2 Ca 0.00 -0.01 -0.30 0.00 -3.30 0.00 0.00 52.55 48.94 1f22 s ASP 2 Cb 0.00 -0.11 -0.08 0.00 -1.09 0.00 0.00 42.92 41.64 1f22 s ASP 2 CO 0.00 -2.50 1.92 -0.69 0.70 0.00 0.00 175.17 174.60 1f22 s VAL 3 N -3.66 3.12 0.30 2.11 1.01 -1.26 -4.53 120.40 117.49 1f22 s VAL 3 Ca 0.72 0.15 0.08 0.00 0.00 0.00 0.00 61.98 62.93 1f22 s VAL 3 Cb -0.04 -3.10 -0.04 0.00 0.00 0.00 0.00 36.38 33.21 1f22 s VAL 3 CO 0.50 -0.02 0.13 -0.69 0.00 0.00 0.00 175.10 175.03 1f22 s VAL 4 N 4.56 3.56 -0.02 2.92 1.01 -1.24 -4.95 120.40 126.24 1f22 s VAL 4 Ca 0.86 -1.65 0.06 0.00 0.00 0.00 0.00 61.98 61.26 1f22 s VAL 4 Cb -0.40 -3.07 -0.01 0.00 0.00 0.00 0.00 36.38 32.89 1f22 s VAL 4 CO 0.39 -0.28 -0.20 0.28 0.00 0.00 0.00 175.10 175.29 1f22 s THR 5 N -2.31 1.59 -0.80 3.92 -1.32 -1.26 -2.25 115.64 113.21 1f22 s THR 5 Ca 0.35 -0.86 -0.26 0.00 -1.21 0.00 0.00 61.69 59.72 1f22 s THR 5 Cb -0.05 -1.32 0.01 0.00 -1.51 0.00 0.00 72.50 69.63 1f22 s THR 5 CO 0.23 0.45 1.57 -0.31 -2.21 0.00 0.00 174.62 174.34 1f22 s TYR 6 N -0.44 2.11 0.25 9.09 2.02 0.42 -4.91 117.35 125.89 1f22 s TYR 6 Ca 0.07 0.07 -0.30 0.00 -0.37 0.00 0.00 57.07 56.54 1f22 s TYR 6 Cb -0.08 -4.42 -0.10 0.00 -0.40 0.00 0.00 41.96 36.96 1f22 s TYR 6 CO -0.01 -2.05 1.41 -2.00 -1.57 0.00 0.00 175.55 171.34 1f22 s GLU 7 N 6.08 4.29 0.19 -0.62 -6.30 -1.26 -0.43 118.70 120.64 1f22 s GLU 7 Ca 0.51 2.26 -0.23 0.00 -2.50 0.00 0.00 54.97 55.01 1f22 s GLU 7 Cb -0.07 -3.12 0.05 0.00 0.00 0.00 0.00 34.13 31.00 1f22 s GLU 7 CO 0.08 -0.38 0.77 0.54 0.02 0.00 0.00 175.26 176.29 1f22 s ASN 8 N 0.29 -0.33 -0.02 -1.70 2.20 -1.26 -4.92 114.94 109.20 1f22 s ASN 8 Ca 0.58 -0.35 0.02 0.00 -0.94 0.00 0.00 52.86 52.18 1f22 s ASN 8 Cb -0.41 0.60 -0.25 0.00 -2.00 0.00 0.00 41.25 39.19 1f22 s ASN 8 CO 0.44 -1.07 0.76 0.50 -2.94 0.00 0.00 177.10 174.79 1f22 h LYS 9 N 2.00 0.15 -0.81 3.55 3.64 -2.01 -3.12 116.57 119.97 1f22 h LYS 9 Ca -0.24 -0.26 0.15 0.00 -1.27 0.00 0.00 60.65 59.04 1f22 h LYS 9 Cb 1.26 0.10 -0.10 0.00 -0.41 0.00 0.00 32.23 33.08 1f22 h LYS 9 CO 0.28 0.93 0.37 -0.22 -2.27 0.00 0.00 179.45 178.54 1f22 h LYS 10 N 0.04 0.50 0.00 1.90 1.63 -2.00 -3.46 116.57 115.19 1f22 h LYS 10 Ca -0.26 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.51 1f22 h LYS 10 Cb 1.99 -0.11 0.00 0.00 -0.60 0.00 0.00 32.23 33.51 1f22 h LYS 10 CO 0.12 0.33 0.00 0.41 -3.45 0.00 0.00 179.45 176.86 1f22 n GLY 11 N -1.33 2.07 3.11 5.01 0.00 -1.21 -4.88 105.19 107.96 1f22 n GLY 11 Ca 0.16 0.21 -0.56 0.00 0.00 0.00 0.00 46.02 45.83 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 0.77 -4.57 1.61 5.03 -1.18 -4.16 115.26 112.76 1f22 n ASN 12 Ca 0.00 1.00 -0.41 0.00 0.87 0.00 0.00 54.58 56.04 1f22 n ASN 12 Cb 0.00 -0.75 -0.08 0.00 -1.02 0.00 0.00 39.78 37.92 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 1.91 5.08 0.15 2.41 1.01 0.43 -1.00 120.40 130.39 1f22 s VAL 13 Ca 0.86 0.34 -0.23 0.00 0.00 0.00 0.00 61.98 62.95 1f22 s VAL 13 Cb -1.22 -3.88 -0.08 0.00 0.00 0.00 0.00 36.38 31.21 1f22 s VAL 13 CO 0.64 -0.10 0.71 -0.89 0.00 0.00 0.00 175.10 175.46 1f22 s THR 14 N 2.24 4.49 -0.08 3.92 2.01 -1.14 -0.44 115.64 126.64 1f22 s THR 14 Ca 0.17 1.52 -0.00 0.00 0.31 0.00 0.00 61.69 63.68 1f22 s THR 14 Cb -0.16 -4.04 0.03 0.00 0.01 0.00 0.00 72.50 68.34 1f22 s THR 14 CO 0.12 0.49 -0.04 0.72 -0.69 0.00 0.00 174.62 175.22 1f22 s PHE 15 N -1.19 1.03 -1.24 4.92 -0.71 -0.95 -4.88 117.98 114.96 1f22 s PHE 15 Ca 0.35 -0.41 -0.19 0.00 -1.04 0.00 0.00 56.93 55.64 1f22 s PHE 15 Cb -0.21 -0.96 -0.00 0.00 -1.21 0.00 0.00 43.02 40.63 1f22 s PHE 15 CO 0.24 -0.38 1.90 -3.47 -1.34 0.00 0.00 175.22 172.17 1f22 n ASP 16 N 4.85 3.98 -0.04 1.98 -0.08 -1.26 -3.60 116.55 122.38 1f22 n ASP 16 Ca -0.12 -2.82 -0.15 0.00 -1.51 0.00 0.00 54.79 50.19 1f22 n ASP 16 Cb 0.50 -1.66 -0.10 0.00 2.34 0.00 0.00 41.12 42.21 1f22 n ASP 16 CO 0.00 0.00 0.00 -0.74 0.12 0.00 0.00 177.20 176.58 1f22 h HIS 17 N 7.87 -1.63 0.26 -0.67 -0.00 -1.83 0.90 115.15 120.06 1f22 h HIS 17 Ca 0.41 0.07 -0.01 0.00 -0.00 0.00 0.00 60.37 60.83 1f22 h HIS 17 Cb 0.82 0.74 0.00 0.00 -0.00 0.00 0.00 27.41 28.97 1f22 h HIS 17 CO 1.36 -0.53 -0.12 -0.22 -0.00 0.00 0.00 177.93 178.41 1f22 h LYS 18 N -0.54 -0.33 -0.33 5.26 3.64 -1.68 0.11 116.57 122.70 1f22 h LYS 18 Ca 0.04 0.02 0.07 0.00 -1.27 0.00 0.00 60.65 59.52 1f22 h LYS 18 Cb 0.66 0.08 -0.08 0.00 -0.41 0.00 0.00 32.23 32.47 1f22 h LYS 18 CO -0.47 -0.16 -0.26 0.00 -2.27 0.00 0.00 179.45 176.29 1f22 h ALA 19 N 0.28 -0.10 -0.97 5.00 0.00 -1.85 0.23 119.26 121.85 1f22 h ALA 19 Ca -0.04 0.10 0.13 0.00 0.00 0.00 0.00 54.91 55.10 1f22 h ALA 19 Cb 0.33 0.57 -0.08 0.00 0.00 0.00 0.00 17.79 18.61 1f22 h ALA 19 CO 0.06 -0.66 0.62 0.45 0.00 0.00 0.00 179.25 179.71 1f22 h HIS 20 N -0.23 1.06 0.59 0.00 3.86 -0.63 0.15 115.15 119.95 1f22 h HIS 20 Ca 0.16 0.03 -0.03 0.00 -1.16 0.00 0.00 60.37 59.37 1f22 h HIS 20 Cb 0.48 -0.34 0.01 0.00 1.06 0.00 0.00 27.41 28.62 1f22 h HIS 20 CO -0.45 0.41 -0.28 0.00 0.86 0.00 0.00 177.93 178.47 1f22 h ALA 21 N 1.56 -0.79 -0.24 2.45 0.00 0.20 0.12 119.26 122.55 1f22 h ALA 21 Ca 0.48 -0.18 -0.19 0.00 0.00 0.00 0.00 54.91 55.02 1f22 h ALA 21 Cb 0.54 0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1f22 h ALA 21 CO -0.25 -0.92 -0.60 1.05 0.00 0.00 0.00 179.25 178.53 1f22 h GLU 22 N -0.84 0.81 0.08 0.00 4.11 -0.32 0.63 114.58 119.05 1f22 h GLU 22 Ca -0.08 -0.54 -0.00 0.00 0.07 0.00 0.00 59.36 58.80 1f22 h GLU 22 Cb 0.63 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.95 1f22 h GLU 22 CO 0.13 1.17 -0.04 0.87 0.07 0.00 0.00 179.01 181.21 1f22 h LYS 23 N 0.60 -0.11 0.03 1.06 1.79 -0.77 -3.38 116.57 115.79 1f22 h LYS 23 Ca -0.00 0.01 -0.34 0.00 -2.18 0.00 0.00 60.65 58.14 1f22 h LYS 23 Cb 1.20 0.02 -0.04 0.00 -1.58 0.00 0.00 32.23 31.83 1f22 h LYS 23 CO 0.13 0.07 -1.90 1.28 -1.08 0.00 0.00 179.45 177.94 1f22 n LEU 24 N -5.07 2.23 0.00 2.94 4.77 0.41 -5.07 117.00 117.22 1f22 n LEU 24 Ca -0.08 0.28 0.00 0.00 -0.03 0.00 0.00 56.01 56.17 1f22 n LEU 24 Cb 0.13 -0.97 0.00 0.00 -2.33 0.00 0.00 43.42 40.26 1f22 n LEU 24 CO 0.33 0.58 0.00 0.61 -1.33 0.00 0.00 177.39 177.58 1f22 n GLY 25 N 1.65 1.20 0.00 -0.72 0.00 0.22 -4.81 105.19 102.72 1f22 n GLY 25 Ca -0.39 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.42 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 0.67 -1.15 0.00 5.19 -1.88 0.16 116.42 119.42 1f22 h ASP 27 Ca 0.00 0.08 0.42 0.00 -0.62 0.00 0.00 57.03 56.91 1f22 h ASP 27 Cb 0.00 -0.04 -0.16 0.00 0.18 0.00 0.00 39.33 39.31 1f22 h ASP 27 CO 0.00 0.25 0.68 0.00 -3.12 0.00 0.00 179.24 177.05 1f22 h ALA 28 N 1.63 2.39 0.00 3.45 0.00 -1.94 -3.29 119.26 121.50 1f22 h ALA 28 Ca 0.54 0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.65 1f22 h ALA 28 Cb 0.99 0.27 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1f22 h ALA 28 CO -0.31 -1.11 -0.79 0.00 0.00 0.00 0.00 179.25 177.05 1f22 n HIS 30 N -2.83 2.72 0.31 0.00 8.25 0.38 -4.69 115.22 119.35 1f22 n HIS 30 Ca 0.00 -2.76 -0.12 0.00 -0.26 0.00 0.00 57.72 54.57 1f22 n HIS 30 Cb 0.39 -1.80 -0.06 0.00 1.12 0.00 0.00 29.99 29.64 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 5.21 -0.79 0.15 -0.41 5.08 -1.81 -3.41 114.58 118.61 1f22 h GLU 31 Ca 0.50 0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.90 1f22 h GLU 31 Cb 0.49 0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.92 1f22 h GLU 31 CO 1.52 -0.52 -0.07 0.78 -1.00 0.00 0.00 179.01 179.72 1f22 h GLY 32 N -1.01 -0.21 -5.18 -3.84 0.00 -1.94 -3.49 103.07 87.40 1f22 h GLY 32 Ca -0.08 0.08 0.09 0.00 0.00 0.00 0.00 47.33 47.42 1f22 h GLY 32 CO 0.14 -0.08 0.56 -1.08 0.00 0.00 0.00 176.54 176.08 1f22 s THR 33 N -2.33 0.00 -0.19 4.70 -1.32 -1.26 -5.05 115.64 110.19 1f22 s THR 33 Ca -0.03 0.00 -0.06 0.00 -1.21 0.00 0.00 61.69 60.39 1f22 s THR 33 Cb 0.00 -1.00 -0.24 0.00 -1.51 0.00 0.00 72.50 69.76 1f22 s THR 33 CO 0.09 0.00 3.42 -0.81 -2.21 0.00 0.00 174.62 175.11 1f22 n PRO 34 N 1.64 2.11 -1.26 7.08 -0.04 -1.26 -4.64 135.00 138.63 1f22 n PRO 34 Ca -0.11 -1.10 -0.28 0.00 -0.04 0.00 0.00 63.50 61.97 1f22 n PRO 34 Cb 0.57 -2.07 -0.08 0.00 -0.04 0.00 0.00 33.50 31.87 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 2.66 6.99 -0.79 0.55 0.00 -1.26 -4.89 120.51 123.77 1f22 n ALA 35 Ca 0.45 -2.90 0.00 0.00 0.00 0.00 0.00 53.44 50.99 1f22 n ALA 35 Cb 0.80 -2.85 0.00 0.00 0.00 0.00 0.00 19.45 17.41 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 2.83 0.00 0.03 0.00 5.02 -1.26 -4.86 118.16 119.92 1f22 n LYS 36 Ca 0.62 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.91 1f22 n LYS 36 Cb 0.51 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.52 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 -0.89 0.53 -1.62 -0.18 2.08 -1.26 -4.96 119.36 113.06 1f22 n ILE 37 Ca 0.00 0.17 -0.00 0.00 0.56 0.00 0.00 62.75 63.48 1f22 n ILE 37 Cb 0.00 -1.43 0.00 0.00 -0.75 0.00 0.00 39.64 37.47 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 -3.21 -1.29 -2.07 -1.39 0.00 -1.26 -5.03 120.51 106.27 1f22 n ALA 38 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 1f22 n ALA 38 Cb 0.23 -0.35 -0.03 0.00 0.00 0.00 0.00 19.45 19.30 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 3.69 0.60 0.00 -1.09 -1.26 -4.98 121.20 115.15 1f22 s ILE 39 Ca 0.01 0.83 0.09 0.00 -2.23 0.00 0.00 60.65 59.35 1f22 s ILE 39 Cb -0.00 -3.53 0.10 0.00 -1.58 0.00 0.00 42.46 37.44 1f22 s ILE 39 CO 0.05 -0.07 0.82 -0.62 -1.23 0.00 0.00 174.94 173.89 1f22 s ASP 40 N 3.14 5.01 0.08 3.58 -1.08 -1.26 -4.94 116.67 121.20 1f22 s ASP 40 Ca 0.71 -0.84 -0.32 0.00 -0.52 0.00 0.00 52.55 51.57 1f22 s ASP 40 Cb -0.32 0.34 -0.16 0.00 -1.46 0.00 0.00 42.92 41.32 1f22 s ASP 40 CO 0.27 -1.42 1.62 0.07 0.52 0.00 0.00 175.17 176.23 1f22 h LYS 41 N 0.09 -0.81 0.21 4.34 2.10 -1.98 -0.95 116.57 119.56 1f22 h LYS 41 Ca -0.30 0.06 0.01 0.00 -2.00 0.00 0.00 60.65 58.42 1f22 h LYS 41 Cb 1.29 0.18 -0.04 0.00 -0.90 0.00 0.00 32.23 32.76 1f22 h LYS 41 CO 0.40 -0.54 -0.51 -0.22 -2.00 0.00 0.00 179.45 176.58 1f22 h LYS 42 N -0.84 -0.77 -1.20 0.07 3.64 -1.97 0.10 116.57 115.60 1f22 h LYS 42 Ca -0.06 0.05 -0.08 0.00 -1.27 0.00 0.00 60.65 59.29 1f22 h LYS 42 Cb 0.70 0.17 -0.04 0.00 -0.41 0.00 0.00 32.23 32.65 1f22 h LYS 42 CO 0.05 -0.51 0.10 0.43 -2.27 0.00 0.00 179.45 177.25 1f22 n SER 43 N -5.50 3.73 0.00 4.20 7.64 -1.09 -0.48 113.62 122.12 1f22 n SER 43 Ca -0.09 -2.33 0.00 0.00 1.01 0.00 0.00 58.87 57.46 1f22 n SER 43 Cb 0.42 -0.68 0.00 0.00 -1.01 0.00 0.00 64.21 62.94 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 0.47 2.97 0.24 -0.43 0.00 -0.38 -4.18 120.51 119.20 1f22 n ALA 44 Ca 0.09 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.66 1f22 n ALA 44 Cb 0.64 0.28 0.45 0.00 0.00 0.00 0.00 19.45 20.82 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 -2.58 0.00 3.86 0.33 0.06 115.15 116.82 1f22 h HIS 45 Ca 0.00 0.00 -0.10 0.00 -1.16 0.00 0.00 60.37 59.11 1f22 h HIS 45 Cb 0.56 0.00 -0.26 0.00 1.06 0.00 0.00 27.41 28.77 1f22 h HIS 45 CO 0.00 0.11 -0.29 0.21 0.86 0.00 0.00 177.93 178.81 1f22 s LYS 46 N -3.51 0.40 0.00 2.45 2.47 0.37 -4.55 119.74 117.37 1f22 s LYS 46 Ca 0.02 0.86 0.00 0.00 -1.56 0.00 0.00 55.97 55.30 1f22 s LYS 46 Cb 0.08 0.05 0.00 0.00 -1.46 0.00 0.00 37.83 36.51 1f22 s LYS 46 CO 0.62 -0.18 0.00 -3.47 0.16 0.00 0.00 175.35 172.48 1f22 n ASP 47 N 4.49 -1.27 0.00 1.43 2.03 -1.26 -4.11 116.55 117.85 1f22 n ASP 47 Ca -0.20 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.11 1f22 n ASP 47 Cb 0.54 -0.36 0.00 0.00 -0.72 0.00 0.00 41.12 40.58 1f22 n ASP 47 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1f22 n ALA 48 N -0.56 0.00 0.34 -1.67 0.00 -1.26 -4.90 120.51 112.46 1f22 n ALA 48 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 1f22 n ALA 48 Cb 0.22 0.00 -0.06 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 n LYS 50 N -4.83 2.54 0.19 0.00 4.81 -0.03 -0.54 118.16 120.30 1f22 n LYS 50 Ca -0.11 -1.62 0.00 0.00 -0.87 0.00 0.00 58.31 55.71 1f22 n LYS 50 Cb 0.35 -2.21 0.00 0.00 0.02 0.00 0.00 35.03 33.19 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 2.34 0.00 -0.32 3.15 -1.04 -1.14 -4.27 114.28 113.00 1f22 n THR 51 Ca 0.52 0.00 0.05 0.00 -2.04 0.00 0.00 64.05 62.57 1f22 n THR 51 Cb 0.69 -0.29 0.24 0.00 -1.82 0.00 0.00 70.33 69.15 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 1.03 0.00 0.00 0.00 -0.00 -1.02 -3.46 115.15 111.69 1f22 h HIS 53 Ca 0.41 0.00 -0.04 0.00 -0.00 0.00 0.00 60.37 60.74 1f22 h HIS 53 Cb 0.27 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 27.67 1f22 h HIS 53 CO -0.00 0.00 0.19 1.63 -0.00 0.00 0.00 177.93 179.75 1f22 n LYS 54 N -2.72 0.00 -2.70 2.45 5.02 -0.90 0.30 118.16 119.61 1f22 n LYS 54 Ca -0.02 0.00 -0.06 0.00 -2.02 0.00 0.00 58.31 56.21 1f22 n LYS 54 Cb 0.05 -0.13 0.02 0.00 -0.02 0.00 0.00 35.03 34.96 1f22 n LYS 54 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1f22 n SER 55 N 0.82 -2.91 0.00 4.39 7.64 -1.26 -4.99 113.62 117.31 1f22 n SER 55 Ca 0.07 -0.13 0.00 0.00 1.01 0.00 0.00 58.87 59.82 1f22 n SER 55 Cb 0.01 -1.59 0.00 0.00 -1.01 0.00 0.00 64.21 61.62 1f22 n SER 55 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1f22 n ASN 56 N 0.14 0.00 -4.65 6.43 3.02 0.15 -5.07 115.26 115.28 1f22 n ASN 56 Ca -0.01 0.00 -0.57 0.00 -0.03 0.00 0.00 54.58 53.98 1f22 n ASN 56 Cb 0.52 -0.00 -0.07 0.00 -0.61 0.00 0.00 39.78 39.62 1f22 n ASN 56 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1f22 n ASN 57 N -2.26 1.80 0.00 6.41 5.15 -1.26 -4.95 115.26 120.15 1f22 n ASN 57 Ca 0.00 1.11 0.00 0.00 -0.60 0.00 0.00 54.58 55.09 1f22 n ASN 57 Cb 0.00 -1.12 0.00 0.00 -0.53 0.00 0.00 39.78 38.13 1f22 n ASN 57 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1f22 n GLY 58 N 3.32 -1.44 3.77 8.20 0.00 -1.26 -4.89 105.19 112.90 1f22 n GLY 58 Ca 0.23 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.87 1f22 n GLY 58 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1f22 s PRO 59 N -1.57 4.21 -0.17 1.61 0.04 -1.26 -4.96 135.00 132.88 1f22 s PRO 59 Ca 0.00 1.77 0.10 0.00 0.04 0.00 0.00 61.00 62.91 1f22 s PRO 59 Cb 0.00 -2.76 -0.18 0.00 0.04 0.00 0.00 34.50 31.60 1f22 s PRO 59 CO 0.00 -0.17 -0.02 0.25 0.04 0.00 0.00 177.00 177.11 1f22 n THR 60 N 0.29 1.13 -1.52 1.26 -2.24 -1.26 -4.55 114.28 107.39 1f22 n THR 60 Ca 0.03 -0.61 -0.34 0.00 -2.27 0.00 0.00 64.05 60.86 1f22 n THR 60 Cb 0.47 -0.78 -0.04 0.00 -2.10 0.00 0.00 70.33 67.88 1f22 n THR 60 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1f22 n LYS 61 N -2.76 3.63 0.00 -0.78 4.01 -1.26 -4.91 118.16 116.09 1f22 n LYS 61 Ca -0.30 -2.48 0.00 0.00 -0.51 0.00 0.00 58.31 55.02 1f22 n LYS 61 Cb 0.98 -2.55 0.00 0.00 -0.51 0.00 0.00 35.03 32.95 1f22 n LYS 61 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1f22 n GLY 63 N 0.00 1.37 0.26 0.00 0.00 -1.26 -4.74 105.19 100.82 1f22 n GLY 63 Ca 0.00 -0.08 0.10 0.00 0.00 0.00 0.00 46.02 46.04 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 0.00 -1.08 0.93 -0.02 0.00 -1.26 -3.66 105.19 100.10 1f22 n GLY 64 Ca 0.00 0.76 0.00 0.00 0.00 0.00 0.00 46.02 46.78 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 1.51 -1.15 0.00 3.76 -1.24 -2.88 115.29 113.29 1f22 s HIS 66 Ca 0.00 0.52 -0.21 0.00 -0.15 0.00 0.00 55.06 55.21 1f22 s HIS 66 Cb 0.00 -4.03 -0.00 0.00 1.11 0.00 0.00 32.58 29.66 1f22 s HIS 66 CO 0.00 -3.62 1.78 0.42 -0.85 0.00 0.00 174.74 172.47 1f22 s ILE 67 N 7.26 3.79 0.00 0.60 -1.09 -0.17 -4.52 121.20 127.07 1f22 s ILE 67 Ca 0.89 -1.14 0.00 0.00 -2.23 0.00 0.00 60.65 58.17 1f22 s ILE 67 Cb -0.29 -4.78 0.00 0.00 -1.58 0.00 0.00 42.46 35.81 1f22 s ILE 67 CO 0.34 -1.50 0.16 1.17 -1.23 0.00 0.00 174.94 173.88