#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 -0.38 0.20 0.00 -4.77 -1.26 -4.07 116.67 106.39 1f22 s ASP 2 Ca 0.00 0.09 -0.32 0.00 -3.30 0.00 0.00 52.55 49.01 1f22 s ASP 2 Cb 0.00 0.38 -0.14 0.00 -1.09 0.00 0.00 42.92 42.07 1f22 s ASP 2 CO 0.00 -0.59 1.41 0.55 0.70 0.00 0.00 175.17 177.24 1f22 n VAL 3 N -0.06 0.65 -4.50 2.11 3.14 -1.26 -4.52 118.33 113.89 1f22 n VAL 3 Ca -0.10 -0.16 -0.24 0.00 -2.96 0.00 0.00 64.34 60.88 1f22 n VAL 3 Cb 0.61 -1.36 -0.10 0.00 -1.06 0.00 0.00 33.84 31.93 1f22 n VAL 3 CO 0.00 0.00 0.00 -0.69 -6.46 0.00 0.00 176.83 169.68 1f22 s VAL 4 N 0.19 2.07 0.08 1.55 1.01 -1.10 -4.97 120.40 119.22 1f22 s VAL 4 Ca 0.72 -2.20 0.05 0.00 0.00 0.00 0.00 61.98 60.56 1f22 s VAL 4 Cb -0.71 -2.54 -0.03 0.00 0.00 0.00 0.00 36.38 33.10 1f22 s VAL 4 CO 0.47 -0.26 -0.14 0.28 0.00 0.00 0.00 175.10 175.45 1f22 s THR 5 N -2.73 1.12 0.32 3.92 -1.32 -1.26 -2.69 115.64 112.99 1f22 s THR 5 Ca 0.31 -1.35 0.14 0.00 -1.21 0.00 0.00 61.69 59.57 1f22 s THR 5 Cb 0.02 -1.12 0.08 0.00 -1.51 0.00 0.00 72.50 69.97 1f22 s THR 5 CO 0.15 -0.26 1.77 1.88 -2.21 0.00 0.00 174.62 175.95 1f22 h TYR 6 N 4.19 0.00 -3.00 9.09 0.05 -1.94 -3.49 116.97 121.88 1f22 h TYR 6 Ca -0.41 0.00 0.15 0.00 0.05 0.00 0.00 58.73 58.52 1f22 h TYR 6 Cb 1.19 0.00 -0.08 0.00 1.01 0.00 0.00 36.73 38.85 1f22 h TYR 6 CO 0.63 0.42 -0.94 -1.91 -1.05 0.00 0.00 178.16 175.32 1f22 n GLU 7 N -3.91 -3.09 -3.68 4.88 2.13 -1.26 -4.97 120.64 110.74 1f22 n GLU 7 Ca -0.01 2.46 -0.10 0.00 0.66 0.00 0.00 57.16 60.17 1f22 n GLU 7 Cb 0.47 -3.28 -0.03 0.00 0.27 0.00 0.00 31.44 28.87 1f22 n GLU 7 CO 0.00 0.00 0.00 -0.80 -0.41 0.00 0.00 177.13 175.92 1f22 s ASN 8 N -5.87 -0.33 0.40 4.31 0.01 -1.26 -4.66 114.94 107.54 1f22 s ASN 8 Ca 0.00 -0.38 0.22 0.00 -0.71 0.00 0.00 52.86 51.98 1f22 s ASN 8 Cb 0.00 0.61 0.67 0.00 0.41 0.00 0.00 41.25 42.94 1f22 s ASN 8 CO 0.00 -1.08 1.72 0.11 -1.51 0.00 0.00 177.10 176.34 1f22 h LYS 9 N 2.12 0.00 0.17 -0.60 1.79 -2.03 -3.35 116.57 114.67 1f22 h LYS 9 Ca -0.29 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.18 1f22 h LYS 9 Cb 1.27 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.92 1f22 h LYS 9 CO 0.35 0.28 -0.08 0.87 -1.08 0.00 0.00 179.45 179.79 1f22 h LYS 10 N 0.00 -0.22 -1.43 3.15 1.79 -1.97 -3.49 116.57 114.40 1f22 h LYS 10 Ca -0.00 0.02 0.10 0.00 -2.18 0.00 0.00 60.65 58.59 1f22 h LYS 10 Cb 0.92 0.05 -0.28 0.00 -1.58 0.00 0.00 32.23 31.34 1f22 h LYS 10 CO 0.04 -0.15 0.59 0.20 -1.08 0.00 0.00 179.45 179.05 1f22 s GLY 11 N -2.22 0.01 -0.10 3.86 0.00 -1.26 -4.69 107.32 102.93 1f22 s GLY 11 Ca -0.03 2.96 -0.29 0.00 0.00 0.00 0.00 44.72 47.35 1f22 s GLY 11 CO 0.10 1.88 1.88 -1.31 0.00 0.00 0.00 173.10 175.66 1f22 s ASN 12 N 0.18 6.25 -0.77 1.64 0.02 -1.26 -4.16 114.94 116.85 1f22 s ASN 12 Ca 0.04 2.18 -0.25 0.00 -1.02 0.00 0.00 52.86 53.81 1f22 s ASN 12 Cb -0.05 -2.53 -0.04 0.00 0.02 0.00 0.00 41.25 38.66 1f22 s ASN 12 CO -0.09 -1.28 1.91 -0.69 0.02 0.00 0.00 177.10 176.97 1f22 s VAL 13 N 5.40 3.40 -1.34 1.60 1.01 -1.26 -4.09 120.40 125.12 1f22 s VAL 13 Ca 0.84 -0.10 -0.11 0.00 0.00 0.00 0.00 61.98 62.61 1f22 s VAL 13 Cb -0.35 -3.97 0.12 0.00 0.00 0.00 0.00 36.38 32.19 1f22 s VAL 13 CO 0.35 -0.93 1.98 0.41 0.00 0.00 0.00 175.10 176.91 1f22 n THR 14 N 7.57 4.04 -2.38 3.92 -1.04 -1.25 -3.57 114.28 121.57 1f22 n THR 14 Ca 0.31 -3.94 -0.43 0.00 -2.04 0.00 0.00 64.05 57.95 1f22 n THR 14 Cb 0.49 -2.44 -0.02 0.00 -1.82 0.00 0.00 70.33 66.54 1f22 n THR 14 CO 0.00 0.00 0.00 0.72 -0.64 0.00 0.00 175.07 175.15 1f22 s PHE 15 N 1.44 2.58 0.84 -1.42 -0.71 -1.10 -4.96 117.98 114.65 1f22 s PHE 15 Ca 0.42 0.81 -0.11 0.00 -1.04 0.00 0.00 56.93 57.01 1f22 s PHE 15 Cb 0.11 -3.98 0.10 0.00 -1.21 0.00 0.00 43.02 38.04 1f22 s PHE 15 CO -0.03 -1.88 1.13 0.34 -1.34 0.00 0.00 175.22 173.45 1f22 s ASP 16 N 3.11 3.70 0.25 1.98 -1.08 -1.26 -2.69 116.67 120.67 1f22 s ASP 16 Ca 0.58 2.06 0.00 0.00 -0.52 0.00 0.00 52.55 54.68 1f22 s ASP 16 Cb -0.17 -2.55 0.00 0.00 -1.46 0.00 0.00 42.92 38.74 1f22 s ASP 16 CO 0.25 -2.58 0.00 1.57 0.52 0.00 0.00 175.17 174.93 1f22 n HIS 17 N -3.77 -2.15 0.20 -5.34 -0.00 -1.26 -4.51 115.22 98.39 1f22 n HIS 17 Ca 0.11 0.38 -0.15 0.00 -0.00 0.00 0.00 57.72 58.06 1f22 n HIS 17 Cb 0.52 0.55 -0.08 0.00 -0.00 0.00 0.00 29.99 30.98 1f22 n HIS 17 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 176.34 176.12 1f22 h LYS 18 N 0.00 -0.44 -0.02 1.57 3.64 -1.80 0.30 116.57 119.83 1f22 h LYS 18 Ca 0.00 0.03 0.03 0.00 -1.27 0.00 0.00 60.65 59.44 1f22 h LYS 18 Cb 0.01 0.10 -0.05 0.00 -0.41 0.00 0.00 32.23 31.88 1f22 h LYS 18 CO 0.00 -0.27 -0.32 0.00 -2.27 0.00 0.00 179.45 176.59 1f22 h ALA 19 N 0.15 -0.46 -0.91 5.00 0.00 -1.91 0.16 119.26 121.30 1f22 h ALA 19 Ca -0.05 -0.01 0.13 0.00 0.00 0.00 0.00 54.91 54.98 1f22 h ALA 19 Cb 0.38 0.57 -0.09 0.00 0.00 0.00 0.00 17.79 18.65 1f22 h ALA 19 CO 0.08 -0.83 0.53 0.45 0.00 0.00 0.00 179.25 179.47 1f22 h HIS 20 N -0.46 0.94 0.66 0.00 3.86 -1.77 0.12 115.15 118.49 1f22 h HIS 20 Ca 0.06 0.03 -0.03 0.00 -1.16 0.00 0.00 60.37 59.27 1f22 h HIS 20 Cb 0.56 -0.28 0.01 0.00 1.06 0.00 0.00 27.41 28.75 1f22 h HIS 20 CO -0.35 0.32 -0.32 0.00 0.86 0.00 0.00 177.93 178.44 1f22 h ALA 21 N 1.53 -0.88 -0.08 2.45 0.00 0.14 0.95 119.26 123.37 1f22 h ALA 21 Ca 0.47 -0.20 -0.22 0.00 0.00 0.00 0.00 54.91 54.95 1f22 h ALA 21 Cb 0.55 0.34 0.01 0.00 0.00 0.00 0.00 17.79 18.69 1f22 h ALA 21 CO -0.30 -0.98 -0.85 1.05 0.00 0.00 0.00 179.25 178.17 1f22 h GLU 22 N -0.91 0.62 0.15 0.00 4.11 -0.36 0.74 114.58 118.93 1f22 h GLU 22 Ca -0.09 -0.56 -0.00 0.00 0.07 0.00 0.00 59.36 58.77 1f22 h GLU 22 Cb 0.69 0.13 -0.00 0.00 0.50 0.00 0.00 28.75 30.07 1f22 h GLU 22 CO 0.15 1.18 -0.10 0.87 0.07 0.00 0.00 179.01 181.18 1f22 h LYS 23 N 0.40 -0.23 0.00 1.06 1.79 -0.84 -3.39 116.57 115.36 1f22 h LYS 23 Ca -0.07 0.02 -0.06 0.00 -2.18 0.00 0.00 60.65 58.36 1f22 h LYS 23 Cb 1.47 0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 32.17 1f22 h LYS 23 CO 0.16 -0.16 -0.90 1.28 -1.08 0.00 0.00 179.45 178.76 1f22 n LEU 24 N -5.21 1.87 0.00 2.94 4.77 0.33 -5.07 117.00 116.62 1f22 n LEU 24 Ca -0.08 0.49 0.00 0.00 -0.03 0.00 0.00 56.01 56.39 1f22 n LEU 24 Cb 0.13 -0.83 0.00 0.00 -2.33 0.00 0.00 43.42 40.39 1f22 n LEU 24 CO 0.33 -0.25 0.00 0.61 -1.33 0.00 0.00 177.39 176.75 1f22 n GLY 25 N 1.52 -0.75 0.00 -0.72 0.00 0.26 -4.91 105.19 100.59 1f22 n GLY 25 Ca -0.15 0.27 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 -0.00 -0.28 0.00 5.75 -1.26 -0.42 116.55 120.33 1f22 n ASP 27 Ca 0.00 0.84 0.24 0.00 -0.01 0.00 0.00 54.79 55.86 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 -3.22 0.78 0.00 2.12 0.00 -1.26 -3.65 120.51 115.28 1f22 n ALA 28 Ca 0.14 0.89 0.00 0.00 0.00 0.00 0.00 53.44 54.47 1f22 n ALA 28 Cb 0.45 -0.83 0.00 0.00 0.00 0.00 0.00 19.45 19.07 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 -2.49 2.66 0.38 0.00 8.25 0.43 -4.71 115.22 119.75 1f22 n HIS 30 Ca 0.00 -2.72 -0.15 0.00 -0.26 0.00 0.00 57.72 54.59 1f22 n HIS 30 Cb 0.28 -1.68 -0.07 0.00 1.12 0.00 0.00 29.99 29.63 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 5.29 -0.95 0.07 -0.41 5.08 -1.81 -3.40 114.58 118.45 1f22 h GLU 31 Ca 0.42 0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.84 1f22 h GLU 31 Cb 0.53 0.22 0.00 0.00 0.50 0.00 0.00 28.75 30.00 1f22 h GLU 31 CO 1.49 -0.63 -0.03 0.78 -1.00 0.00 0.00 179.01 179.61 1f22 h GLY 32 N -1.20 -0.10 -5.23 -3.84 0.00 -1.95 -3.49 103.07 87.26 1f22 h GLY 32 Ca -0.10 0.04 0.14 0.00 0.00 0.00 0.00 47.33 47.40 1f22 h GLY 32 CO 0.17 -0.04 0.70 -1.08 0.00 0.00 0.00 176.54 176.29 1f22 s THR 33 N -2.42 0.00 0.00 4.70 -1.32 -1.26 -5.04 115.64 110.30 1f22 s THR 33 Ca -0.01 0.00 -0.04 0.00 -1.21 0.00 0.00 61.69 60.43 1f22 s THR 33 Cb 0.00 -1.00 -0.16 0.00 -1.51 0.00 0.00 72.50 69.83 1f22 s THR 33 CO 0.04 0.00 2.77 -0.81 -2.21 0.00 0.00 174.62 174.41 1f22 n PRO 34 N 1.35 1.47 -1.44 7.08 -0.04 -1.26 -4.64 135.00 137.52 1f22 n PRO 34 Ca -0.09 -0.60 -0.39 0.00 -0.04 0.00 0.00 63.50 62.38 1f22 n PRO 34 Cb 0.57 -1.67 -0.02 0.00 -0.04 0.00 0.00 33.50 32.34 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 2.26 7.37 -1.39 0.55 0.00 -1.26 -4.87 120.51 123.17 1f22 n ALA 35 Ca 0.26 -3.64 0.17 0.00 0.00 0.00 0.00 53.44 50.24 1f22 n ALA 35 Cb 0.69 -3.29 -0.04 0.00 0.00 0.00 0.00 19.45 16.81 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 3.39 -2.57 0.00 0.00 4.76 -1.26 -4.96 118.16 117.52 1f22 n LYS 36 Ca 0.75 1.70 0.00 0.00 -2.87 0.00 0.00 58.31 57.89 1f22 n LYS 36 Cb 0.24 -3.14 0.00 0.00 -1.84 0.00 0.00 35.03 30.29 1f22 n LYS 36 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 1f22 n ILE 37 N -3.97 0.00 -2.94 -0.18 5.41 -1.26 -4.97 119.36 111.46 1f22 n ILE 37 Ca 0.01 0.00 -0.04 0.00 1.00 0.00 0.00 62.75 63.71 1f22 n ILE 37 Cb 0.58 -0.89 0.02 0.00 -0.71 0.00 0.00 39.64 38.65 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 -2.67 -2.35 -2.43 -1.39 0.00 -1.26 -4.96 120.51 105.46 1f22 n ALA 38 Ca 0.00 0.04 -0.42 0.00 0.00 0.00 0.00 53.44 53.06 1f22 n ALA 38 Cb 0.22 -2.61 -0.03 0.00 0.00 0.00 0.00 19.45 17.03 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 -3.11 3.85 0.41 0.00 -1.09 -1.26 -5.01 121.20 114.99 1f22 s ILE 39 Ca 0.13 0.75 0.08 0.00 -2.23 0.00 0.00 60.65 59.38 1f22 s ILE 39 Cb -0.02 -4.49 -0.01 0.00 -1.58 0.00 0.00 42.46 36.36 1f22 s ILE 39 CO 0.66 -1.17 0.42 -1.81 -1.23 0.00 0.00 174.94 171.81 1f22 s ASP 40 N 4.04 5.21 0.26 3.58 1.01 -1.26 -4.81 116.67 124.70 1f22 s ASP 40 Ca 0.51 -0.66 0.05 0.00 0.71 0.00 0.00 52.55 53.16 1f22 s ASP 40 Cb -0.10 -0.62 0.73 0.00 1.01 0.00 0.00 42.92 43.94 1f22 s ASP 40 CO 0.26 -0.66 1.29 2.29 0.21 0.00 0.00 175.17 178.55 1f22 n LYS 41 N -1.61 -0.06 -0.36 8.23 -0.00 -1.26 -0.60 118.16 122.50 1f22 n LYS 41 Ca 0.04 1.21 0.29 0.00 -0.00 0.00 0.00 58.31 59.85 1f22 n LYS 41 Cb 0.61 -1.97 0.55 0.00 -0.00 0.00 0.00 35.03 34.22 1f22 n LYS 41 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.40 178.97 1f22 h LYS 42 N 0.00 0.20 0.00 -1.58 2.10 -1.94 0.30 116.57 115.65 1f22 h LYS 42 Ca 0.54 -0.01 -0.25 0.00 -2.00 0.00 0.00 60.65 58.93 1f22 h LYS 42 Cb 1.19 -0.04 -0.04 0.00 -0.90 0.00 0.00 32.23 32.44 1f22 h LYS 42 CO -0.74 0.13 -1.87 0.43 -2.00 0.00 0.00 179.45 175.40 1f22 n SER 43 N -4.97 2.06 -0.15 7.07 7.64 0.16 -4.44 113.62 120.98 1f22 n SER 43 Ca 0.34 0.05 -0.04 0.00 1.01 0.00 0.00 58.87 60.23 1f22 n SER 43 Cb 1.15 -0.34 0.05 0.00 -1.01 0.00 0.00 64.21 64.06 1f22 n SER 43 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1f22 h ALA 44 N -0.26 0.58 0.00 -0.43 0.00 -0.55 0.79 119.26 119.39 1f22 h ALA 44 Ca -0.37 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1f22 h ALA 44 Cb 1.44 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.24 1f22 h ALA 44 CO -0.14 -0.19 0.00 0.45 0.00 0.00 0.00 179.25 179.37 1f22 h HIS 45 N 0.38 0.00 -0.47 0.00 3.86 -1.17 -2.25 115.15 115.50 1f22 h HIS 45 Ca 0.22 0.00 0.22 0.00 -1.16 0.00 0.00 60.37 59.65 1f22 h HIS 45 Cb 0.20 0.00 -0.22 0.00 1.06 0.00 0.00 27.41 28.45 1f22 h HIS 45 CO -0.14 0.00 0.15 0.21 0.86 0.00 0.00 177.93 179.01 1f22 s LYS 46 N -3.40 0.22 0.00 2.45 2.36 0.17 -4.68 119.74 116.86 1f22 s LYS 46 Ca 0.04 0.42 0.00 0.00 -2.55 0.00 0.00 55.97 53.88 1f22 s LYS 46 Cb 0.09 0.24 0.00 0.00 -1.05 0.00 0.00 37.83 37.11 1f22 s LYS 46 CO 0.51 -0.20 0.00 -3.47 1.55 0.00 0.00 175.35 173.74 1f22 n ASP 47 N 5.33 0.00 0.00 1.43 2.03 -0.64 -4.11 116.55 120.58 1f22 n ASP 47 Ca -0.07 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.24 1f22 n ASP 47 Cb 0.53 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.93 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 -0.44 0.00 0.33 -1.67 0.00 -0.63 -4.75 120.51 113.35 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 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 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 -4.61 1.38 0.12 0.00 4.81 -0.85 -2.35 118.16 116.66 1f22 n LYS 50 Ca -0.11 -0.56 0.00 0.00 -0.87 0.00 0.00 58.31 56.78 1f22 n LYS 50 Cb 0.34 -1.65 0.00 0.00 0.02 0.00 0.00 35.03 33.74 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 2.27 0.00 0.22 3.15 -1.04 -1.15 -4.57 114.28 113.16 1f22 n THR 51 Ca 0.24 0.00 0.07 0.00 -2.04 0.00 0.00 64.05 62.32 1f22 n THR 51 Cb 0.64 -0.05 0.51 0.00 -1.82 0.00 0.00 70.33 69.62 1f22 n THR 51 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1f22 n HIS 53 N -3.99 0.00 -1.54 0.00 -0.00 -0.99 -4.84 115.22 103.87 1f22 n HIS 53 Ca -0.02 -0.22 -0.21 0.00 -0.00 0.00 0.00 57.72 57.27 1f22 n HIS 53 Cb 0.31 -0.22 -0.11 0.00 -0.00 0.00 0.00 29.99 29.97 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 1.24 0.45 -2.21 -0.41 4.76 -1.23 -1.47 118.16 119.29 1f22 n LYS 54 Ca 0.00 -0.46 -0.17 0.00 -2.87 0.00 0.00 58.31 54.81 1f22 n LYS 54 Cb 0.16 -2.82 -0.02 0.00 -1.84 0.00 0.00 35.03 30.51 1f22 n LYS 54 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1f22 n SER 55 N 14.41 -5.13 0.00 4.39 2.88 -1.26 -4.94 113.62 123.97 1f22 n SER 55 Ca 0.52 0.05 0.00 0.00 -1.33 0.00 0.00 58.87 58.11 1f22 n SER 55 Cb 0.34 -4.20 0.00 0.00 -0.75 0.00 0.00 64.21 59.60 1f22 n SER 55 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1f22 n ASN 56 N -1.27 0.00 -3.67 -3.46 3.02 -0.54 -5.00 115.26 104.34 1f22 n ASN 56 Ca -0.20 0.03 -0.15 0.00 -0.03 0.00 0.00 54.58 54.22 1f22 n ASN 56 Cb 0.65 -0.10 -0.14 0.00 -0.61 0.00 0.00 39.78 39.58 1f22 n ASN 56 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1f22 s ASN 57 N -1.52 0.51 0.00 6.41 3.84 -1.25 -5.14 114.94 117.78 1f22 s ASN 57 Ca 0.00 0.45 0.00 0.00 0.21 0.00 0.00 52.86 53.52 1f22 s ASN 57 Cb 0.00 0.46 0.00 0.00 -0.55 0.00 0.00 41.25 41.16 1f22 s ASN 57 CO 0.00 -0.24 0.00 0.61 -2.79 0.00 0.00 177.10 174.68 1f22 n GLY 58 N 5.24 -1.32 0.30 1.21 0.00 -1.26 -4.83 105.19 104.54 1f22 n GLY 58 Ca -0.07 -1.41 0.12 0.00 0.00 0.00 0.00 46.02 44.66 1f22 n GLY 58 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1f22 n PRO 59 N 0.00 1.41 -0.55 1.61 -0.04 -1.26 -4.91 135.00 131.26 1f22 n PRO 59 Ca 0.00 -0.60 0.00 0.00 -0.04 0.00 0.00 63.50 62.86 1f22 n PRO 59 Cb 0.00 -1.41 0.00 0.00 -0.04 0.00 0.00 33.50 32.05 1f22 n PRO 59 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1f22 n THR 60 N -0.22 0.00 -2.11 0.52 -2.24 -1.26 0.03 114.28 109.00 1f22 n THR 60 Ca 0.18 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.94 1f22 n THR 60 Cb 0.23 -0.48 0.01 0.00 -2.10 0.00 0.00 70.33 67.99 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 -1.93 -0.47 0.00 -0.78 4.76 -1.26 -4.92 118.16 113.56 1f22 n LYS 61 Ca 0.00 0.06 0.00 0.00 -2.87 0.00 0.00 58.31 55.50 1f22 n LYS 61 Cb 0.01 -2.74 0.00 0.00 -1.84 0.00 0.00 35.03 30.46 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 1.34 0.10 0.00 0.00 -1.26 -4.77 105.19 100.59 1f22 n GLY 63 Ca 0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.58 0.00 -0.02 0.00 -1.26 -3.49 105.19 99.84 1f22 n GLY 64 Ca 0.00 0.29 0.00 0.00 0.00 0.00 0.00 46.02 46.31 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 -1.94 2.54 -0.48 0.00 3.76 -1.23 -3.79 115.29 114.15 1f22 s HIS 66 Ca 0.00 0.15 -0.27 0.00 -0.15 0.00 0.00 55.06 54.79 1f22 s HIS 66 Cb 0.00 -4.47 -0.05 0.00 1.11 0.00 0.00 32.58 29.17 1f22 s HIS 66 CO 0.00 -1.71 2.17 0.42 -0.85 0.00 0.00 174.74 174.77 1f22 s ILE 67 N 4.99 3.15 0.00 0.60 1.09 -1.26 -4.56 121.20 125.21 1f22 s ILE 67 Ca 0.37 0.11 0.00 0.00 -1.10 0.00 0.00 60.65 60.03 1f22 s ILE 67 Cb -0.09 -3.35 0.00 0.00 -1.06 0.00 0.00 42.46 37.96 1f22 s ILE 67 CO 0.20 -0.32 0.00 1.17 -0.10 0.00 0.00 174.94 175.90