#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 -0.27 0.10 0.00 -4.77 -1.26 -4.04 116.67 106.43 1f22 s ASP 2 Ca 0.00 -0.40 -0.32 0.00 -3.30 0.00 0.00 52.55 48.52 1f22 s ASP 2 Cb 0.00 0.59 -0.12 0.00 -1.09 0.00 0.00 42.92 42.30 1f22 s ASP 2 CO 0.00 -1.06 1.78 0.55 0.70 0.00 0.00 175.17 177.14 1f22 n VAL 3 N -0.44 0.30 -4.53 2.11 3.14 -1.26 -3.98 118.33 113.67 1f22 n VAL 3 Ca -0.07 -0.05 -0.25 0.00 -2.96 0.00 0.00 64.34 61.01 1f22 n VAL 3 Cb 0.61 -1.95 -0.11 0.00 -1.06 0.00 0.00 33.84 31.33 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 2.46 1.95 0.04 1.55 1.01 -0.99 -4.92 120.40 121.49 1f22 s VAL 4 Ca 0.83 -2.11 0.02 0.00 0.00 0.00 0.00 61.98 60.71 1f22 s VAL 4 Cb -0.56 -2.72 -0.02 0.00 0.00 0.00 0.00 36.38 33.08 1f22 s VAL 4 CO 0.39 -0.15 -0.07 0.28 0.00 0.00 0.00 175.10 175.56 1f22 s THR 5 N -2.79 0.49 0.08 3.92 -1.32 -1.26 -1.67 115.64 113.08 1f22 s THR 5 Ca 0.33 -0.99 0.15 0.00 -1.21 0.00 0.00 61.69 59.97 1f22 s THR 5 Cb 0.05 -0.55 0.04 0.00 -1.51 0.00 0.00 72.50 70.53 1f22 s THR 5 CO 0.16 -0.35 1.56 1.88 -2.21 0.00 0.00 174.62 175.66 1f22 h TYR 6 N 4.65 0.00 -5.78 9.09 0.05 -1.93 -3.48 116.97 119.56 1f22 h TYR 6 Ca -0.35 0.00 -0.22 0.00 0.05 0.00 0.00 58.73 58.21 1f22 h TYR 6 Cb 1.20 0.00 0.06 0.00 1.01 0.00 0.00 36.73 39.00 1f22 h TYR 6 CO 0.63 0.54 -0.54 0.39 -1.05 0.00 0.00 178.16 178.13 1f22 n GLU 7 N -3.44 -1.52 -1.81 4.88 -0.58 -1.26 -4.94 120.64 111.97 1f22 n GLU 7 Ca 0.00 1.04 -0.29 0.00 -0.42 0.00 0.00 57.16 57.49 1f22 n GLU 7 Cb 0.66 -4.90 0.12 0.00 -0.57 0.00 0.00 31.44 26.75 1f22 n GLU 7 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1f22 s ASN 8 N -3.18 3.98 0.19 1.62 2.20 -1.26 -4.90 114.94 113.60 1f22 s ASN 8 Ca 0.20 0.73 0.25 0.00 -0.94 0.00 0.00 52.86 53.10 1f22 s ASN 8 Cb -0.05 -1.16 0.90 0.00 -2.00 0.00 0.00 41.25 38.94 1f22 s ASN 8 CO 0.79 -2.23 1.76 0.29 -2.94 0.00 0.00 177.10 174.77 1f22 n LYS 9 N -3.52 0.20 0.02 3.55 4.01 -1.26 -3.00 118.16 118.16 1f22 n LYS 9 Ca 0.09 0.26 -0.12 0.00 -0.51 0.00 0.00 58.31 58.03 1f22 n LYS 9 Cb 0.60 -1.78 -0.09 0.00 -0.51 0.00 0.00 35.03 33.25 1f22 n LYS 9 CO 0.00 0.00 0.00 0.87 -1.11 0.00 0.00 177.40 177.16 1f22 h LYS 10 N 0.00 -0.13 0.00 1.97 1.79 -2.00 -3.45 116.57 114.75 1f22 h LYS 10 Ca 0.00 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.48 1f22 h LYS 10 Cb 0.58 0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.26 1f22 h LYS 10 CO 0.00 0.38 0.00 0.41 -1.08 0.00 0.00 179.45 179.16 1f22 n GLY 11 N 0.58 0.00 5.73 3.86 0.00 -1.26 -4.79 105.19 109.32 1f22 n GLY 11 Ca -0.08 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.98 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 -5.62 -3.47 1.61 5.03 -1.16 -1.09 115.26 110.56 1f22 n ASN 12 Ca 0.00 0.30 -0.20 0.00 0.87 0.00 0.00 54.58 55.55 1f22 n ASN 12 Cb 0.00 -0.85 -0.12 0.00 -1.02 0.00 0.00 39.78 37.79 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 -0.45 -0.31 -0.05 2.41 1.01 -1.26 -4.19 120.40 117.55 1f22 s VAL 13 Ca 0.00 -0.33 -0.30 0.00 0.00 0.00 0.00 61.98 61.35 1f22 s VAL 13 Cb 0.00 -0.82 -0.03 0.00 0.00 0.00 0.00 36.38 35.53 1f22 s VAL 13 CO 0.00 -0.37 1.11 0.28 0.00 0.00 0.00 175.10 176.12 1f22 s THR 14 N 2.30 4.49 -0.15 3.92 -1.32 -1.25 -3.19 115.64 120.44 1f22 s THR 14 Ca 0.08 1.78 -0.01 0.00 -1.21 0.00 0.00 61.69 62.33 1f22 s THR 14 Cb -0.15 -4.15 0.04 0.00 -1.51 0.00 0.00 72.50 66.73 1f22 s THR 14 CO -0.22 0.03 -0.02 0.72 -2.21 0.00 0.00 174.62 172.92 1f22 s PHE 15 N 1.89 1.28 -0.41 9.09 -0.71 -0.67 -4.96 117.98 123.49 1f22 s PHE 15 Ca 0.53 -0.79 -0.29 0.00 -1.04 0.00 0.00 56.93 55.34 1f22 s PHE 15 Cb -0.23 -1.12 0.00 0.00 -1.21 0.00 0.00 43.02 40.47 1f22 s PHE 15 CO 0.22 -0.54 1.52 0.34 -1.34 0.00 0.00 175.22 175.42 1f22 s ASP 16 N 1.77 6.18 -0.03 1.98 -1.08 -1.26 -2.34 116.67 121.89 1f22 s ASP 16 Ca 0.02 0.89 -0.22 0.00 -0.52 0.00 0.00 52.55 52.71 1f22 s ASP 16 Cb -0.15 -2.54 -0.16 0.00 -1.46 0.00 0.00 42.92 38.61 1f22 s ASP 16 CO -0.07 -1.55 0.99 -0.74 0.52 0.00 0.00 175.17 174.32 1f22 h HIS 17 N 11.37 -0.24 -0.42 -5.34 -0.00 -1.92 -2.22 115.15 116.38 1f22 h HIS 17 Ca -0.29 -0.01 -0.01 0.00 -0.00 0.00 0.00 60.37 60.07 1f22 h HIS 17 Cb 1.12 0.08 -0.02 0.00 -0.00 0.00 0.00 27.41 28.59 1f22 h HIS 17 CO 0.97 0.17 0.23 -0.22 -0.00 0.00 0.00 177.93 179.08 1f22 h LYS 18 N -0.81 0.59 -0.28 5.26 3.11 -1.78 0.29 116.57 122.95 1f22 h LYS 18 Ca -0.03 -0.07 0.03 0.00 -2.81 0.00 0.00 60.65 57.77 1f22 h LYS 18 Cb 0.52 -0.12 -0.05 0.00 -1.00 0.00 0.00 32.23 31.58 1f22 h LYS 18 CO 0.04 0.48 -0.31 0.00 -2.81 0.00 0.00 179.45 176.85 1f22 h ALA 19 N 1.08 -0.52 -0.90 5.00 0.00 -1.92 0.29 119.26 122.29 1f22 h ALA 19 Ca 0.15 0.01 0.10 0.00 0.00 0.00 0.00 54.91 55.17 1f22 h ALA 19 Cb 0.06 0.99 -0.07 0.00 0.00 0.00 0.00 17.79 18.77 1f22 h ALA 19 CO -0.02 -0.68 0.58 0.45 0.00 0.00 0.00 179.25 179.58 1f22 h HIS 20 N -0.18 0.98 0.60 0.00 3.86 -1.09 0.75 115.15 120.07 1f22 h HIS 20 Ca 0.05 0.03 -0.03 0.00 -1.16 0.00 0.00 60.37 59.26 1f22 h HIS 20 Cb 0.31 -0.32 0.00 0.00 1.06 0.00 0.00 27.41 28.46 1f22 h HIS 20 CO -0.72 0.45 -0.33 0.00 0.86 0.00 0.00 177.93 178.18 1f22 h ALA 21 N 1.55 -0.88 -0.26 2.45 0.00 0.02 0.33 119.26 122.46 1f22 h ALA 21 Ca 0.42 -0.18 -0.16 0.00 0.00 0.00 0.00 54.91 54.99 1f22 h ALA 21 Cb 0.40 0.39 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 1f22 h ALA 21 CO -0.18 -1.00 -0.44 1.05 0.00 0.00 0.00 179.25 178.67 1f22 h GLU 22 N -0.87 0.77 0.24 0.00 4.11 0.12 0.61 114.58 119.56 1f22 h GLU 22 Ca -0.08 -0.47 -0.01 0.00 0.07 0.00 0.00 59.36 58.87 1f22 h GLU 22 Cb 0.69 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.99 1f22 h GLU 22 CO 0.10 1.10 -0.12 0.87 0.07 0.00 0.00 179.01 181.03 1f22 h LYS 23 N 0.51 -0.32 0.01 1.06 1.79 -0.93 -3.39 116.57 115.30 1f22 h LYS 23 Ca 0.02 0.02 -0.40 0.00 -2.18 0.00 0.00 60.65 58.11 1f22 h LYS 23 Cb 1.04 0.07 -0.06 0.00 -1.58 0.00 0.00 32.23 31.71 1f22 h LYS 23 CO 0.10 -0.22 -2.30 1.28 -1.08 0.00 0.00 179.45 177.23 1f22 n LEU 24 N -5.24 2.28 0.00 2.94 4.77 0.10 -5.07 117.00 116.78 1f22 n LEU 24 Ca -0.09 0.21 0.00 0.00 -0.03 0.00 0.00 56.01 56.10 1f22 n LEU 24 Cb 0.16 -0.89 0.00 0.00 -2.33 0.00 0.00 43.42 40.36 1f22 n LEU 24 CO 0.35 0.66 0.00 0.61 -1.33 0.00 0.00 177.39 177.67 1f22 n GLY 25 N 1.62 0.78 0.00 -0.72 0.00 0.21 -4.82 105.19 102.25 1f22 n GLY 25 Ca -0.47 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.44 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 0.27 -1.50 0.00 5.19 -1.90 0.17 116.42 118.65 1f22 h ASP 27 Ca 0.00 0.16 0.49 0.00 -0.62 0.00 0.00 57.03 57.06 1f22 h ASP 27 Cb 0.00 0.15 -0.13 0.00 0.18 0.00 0.00 39.33 39.53 1f22 h ASP 27 CO 0.00 -0.01 0.99 0.00 -3.12 0.00 0.00 179.24 177.10 1f22 h ALA 28 N 1.70 3.04 0.00 3.45 0.00 -1.93 -2.93 119.26 122.59 1f22 h ALA 28 Ca 0.54 0.09 -0.06 0.00 0.00 0.00 0.00 54.91 55.48 1f22 h ALA 28 Cb 1.01 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 1f22 h ALA 28 CO -0.53 -1.70 -1.19 0.00 0.00 0.00 0.00 179.25 175.83 1f22 n HIS 30 N -3.11 3.86 0.05 0.00 8.25 0.40 -4.89 115.22 119.79 1f22 n HIS 30 Ca -0.07 -3.24 -0.05 0.00 -0.26 0.00 0.00 57.72 54.10 1f22 n HIS 30 Cb 0.55 -1.60 -0.03 0.00 1.12 0.00 0.00 29.99 30.02 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 6.14 -0.25 0.05 -0.41 5.08 -1.78 -3.36 114.58 120.04 1f22 h GLU 31 Ca 0.22 0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.60 1f22 h GLU 31 Cb 0.75 0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.05 1f22 h GLU 31 CO 1.22 -0.16 -0.02 0.78 -1.00 0.00 0.00 179.01 179.82 1f22 h GLY 32 N -0.26 -0.07 -4.94 -3.84 0.00 -1.90 -3.47 103.07 88.59 1f22 h GLY 32 Ca -0.01 0.03 0.06 0.00 0.00 0.00 0.00 47.33 47.41 1f22 h GLY 32 CO -0.08 -0.03 0.47 -1.08 0.00 0.00 0.00 176.54 175.83 1f22 s THR 33 N -1.70 0.00 -0.07 4.70 -1.32 -1.26 -5.15 115.64 110.84 1f22 s THR 33 Ca -0.01 0.00 -0.30 0.00 -1.21 0.00 0.00 61.69 60.17 1f22 s THR 33 Cb 0.00 -1.00 -0.02 0.00 -1.51 0.00 0.00 72.50 69.97 1f22 s THR 33 CO 0.03 0.00 1.08 -2.16 -2.21 0.00 0.00 174.62 171.36 1f22 s PRO 34 N -0.37 4.41 -0.39 7.08 0.04 -1.26 -4.91 135.00 139.59 1f22 s PRO 34 Ca 0.00 1.51 0.11 0.00 0.04 0.00 0.00 61.00 62.66 1f22 s PRO 34 Cb -0.03 -3.53 0.39 0.00 0.04 0.00 0.00 34.50 31.37 1f22 s PRO 34 CO -0.02 -0.33 1.17 0.00 0.04 0.00 0.00 177.00 177.86 1f22 n ALA 35 N 4.91 1.34 -1.36 8.56 0.00 -1.26 -5.09 120.51 127.60 1f22 n ALA 35 Ca 0.09 -1.89 0.00 0.00 0.00 0.00 0.00 53.44 51.65 1f22 n ALA 35 Cb 0.48 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.92 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 -0.22 -3.90 -0.04 0.00 5.02 -1.26 -4.95 118.16 112.81 1f22 n LYS 36 Ca 0.04 2.92 -0.18 0.00 -2.02 0.00 0.00 58.31 59.07 1f22 n LYS 36 Cb 0.80 -3.30 -0.14 0.00 -0.02 0.00 0.00 35.03 32.37 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 -0.99 1.67 -2.53 -0.18 5.41 -1.26 -5.05 119.36 116.43 1f22 n ILE 37 Ca 0.00 -0.68 -0.02 0.00 1.00 0.00 0.00 62.75 63.05 1f22 n ILE 37 Cb 0.02 -1.46 0.00 0.00 -0.71 0.00 0.00 39.64 37.49 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 -2.96 -2.51 -2.59 -1.39 0.00 -1.26 -4.96 120.51 104.84 1f22 n ALA 38 Ca -0.32 0.32 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 1f22 n ALA 38 Cb 1.04 -1.66 -0.02 0.00 0.00 0.00 0.00 19.45 18.81 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 -2.66 4.11 0.41 0.00 -1.09 -1.26 -4.88 121.20 115.83 1f22 s ILE 39 Ca 0.07 1.07 0.07 0.00 -2.23 0.00 0.00 60.65 59.63 1f22 s ILE 39 Cb -0.02 -4.66 -0.07 0.00 -1.58 0.00 0.00 42.46 36.13 1f22 s ILE 39 CO 0.53 -1.16 0.07 -1.81 -1.23 0.00 0.00 174.94 171.33 1f22 s ASP 40 N 2.73 4.07 0.14 3.58 1.11 -1.26 -4.92 116.67 122.11 1f22 s ASP 40 Ca 0.46 -1.27 -0.31 0.00 0.18 0.00 0.00 52.55 51.61 1f22 s ASP 40 Cb -0.07 -0.42 -0.09 0.00 1.07 0.00 0.00 42.92 43.41 1f22 s ASP 40 CO 0.29 -0.49 1.53 0.07 1.18 0.00 0.00 175.17 177.75 1f22 h LYS 41 N 1.65 -0.21 0.00 8.23 5.09 -1.98 0.31 116.57 129.67 1f22 h LYS 41 Ca -0.44 0.01 0.00 0.00 0.09 0.00 0.00 60.65 60.32 1f22 h LYS 41 Cb 1.24 0.05 0.00 0.00 0.10 0.00 0.00 32.23 33.62 1f22 h LYS 41 CO 0.77 -0.14 0.00 1.17 -2.09 0.00 0.00 179.45 179.16 1f22 n LYS 42 N -5.24 0.14 -0.31 0.07 4.81 -1.26 -0.45 118.16 115.92 1f22 n LYS 42 Ca -0.01 0.53 0.08 0.00 -0.87 0.00 0.00 58.31 58.04 1f22 n LYS 42 Cb 0.30 -1.86 0.15 0.00 0.02 0.00 0.00 35.03 33.63 1f22 n LYS 42 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 1f22 n SER 43 N -2.14 1.97 0.05 3.14 7.64 0.82 -3.89 113.62 121.22 1f22 n SER 43 Ca 0.00 -3.27 0.00 0.00 1.01 0.00 0.00 58.87 56.61 1f22 n SER 43 Cb 0.10 -0.45 0.00 0.00 -1.01 0.00 0.00 64.21 62.86 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 -1.20 3.00 1.14 -0.43 0.00 0.40 -4.25 120.51 119.18 1f22 n ALA 44 Ca 0.16 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.72 1f22 n ALA 44 Cb 0.67 0.16 0.35 0.00 0.00 0.00 0.00 19.45 20.64 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 -3.12 0.00 0.00 0.00 -0.00 0.40 -2.29 115.22 110.21 1f22 n HIS 45 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 1f22 n HIS 45 Cb 0.11 -0.20 0.00 0.00 -0.00 0.00 0.00 29.99 29.90 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 -1.10 0.00 -2.64 -0.41 0.00 -1.25 -4.91 118.16 107.84 1f22 n LYS 46 Ca 0.09 0.11 -0.01 0.00 0.00 0.00 0.00 58.31 58.50 1f22 n LYS 46 Cb 0.34 -0.58 0.09 0.00 0.00 0.00 0.00 35.03 34.88 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 -0.93 -0.33 0.00 3.14 5.75 -1.26 -4.82 116.55 118.11 1f22 n ASP 47 Ca 0.00 -2.14 0.00 0.00 -0.01 0.00 0.00 54.79 52.64 1f22 n ASP 47 Cb 0.00 0.24 0.00 0.00 -1.03 0.00 0.00 41.12 40.33 1f22 n ASP 47 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1f22 n ALA 48 N -1.12 0.50 0.13 2.12 0.00 -1.23 -4.73 120.51 116.18 1f22 n ALA 48 Ca -0.09 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.27 1f22 n ALA 48 Cb 0.85 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.26 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 -5.05 2.64 0.09 0.00 2.85 -1.20 -3.15 118.16 114.34 1f22 n LYS 50 Ca -0.06 -1.46 0.00 0.00 -1.05 0.00 0.00 58.31 55.74 1f22 n LYS 50 Cb 0.19 -2.30 0.00 0.00 -0.65 0.00 0.00 35.03 32.27 1f22 n LYS 50 CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 177.40 174.98 1f22 n THR 51 N 2.89 0.42 -0.25 0.58 5.66 -1.25 -4.77 114.28 117.56 1f22 n THR 51 Ca 0.56 0.14 -0.11 0.00 -3.05 0.00 0.00 64.05 61.59 1f22 n THR 51 Cb 0.66 -0.96 -0.08 0.00 -1.55 0.00 0.00 70.33 68.41 1f22 n THR 51 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1f22 h HIS 53 N -0.22 0.00 -0.05 0.00 3.86 -1.90 -0.29 115.15 116.56 1f22 h HIS 53 Ca 0.14 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.34 1f22 h HIS 53 Cb 0.53 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.00 1f22 h HIS 53 CO -0.83 0.00 0.01 0.87 0.86 0.00 0.00 177.93 178.84 1f22 h LYS 54 N 0.00 0.08 -2.07 2.45 1.57 -1.31 0.50 116.57 117.79 1f22 h LYS 54 Ca 0.00 -0.02 -0.08 0.00 -1.87 0.00 0.00 60.65 58.68 1f22 h LYS 54 Cb 0.30 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.57 1f22 h LYS 54 CO 0.00 0.32 -0.12 0.45 -0.57 0.00 0.00 179.45 179.52 1f22 n SER 55 N -4.91 4.56 0.05 0.86 2.88 -0.12 -3.12 113.62 113.81 1f22 n SER 55 Ca -0.07 -2.27 0.00 0.00 -1.33 0.00 0.00 58.87 55.20 1f22 n SER 55 Cb 0.16 -1.09 0.00 0.00 -0.75 0.00 0.00 64.21 62.53 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 2.04 -0.82 0.13 -3.46 3.02 -1.20 -5.01 115.26 109.95 1f22 n ASN 56 Ca 0.17 0.21 0.00 0.00 -0.03 0.00 0.00 54.58 54.93 1f22 n ASN 56 Cb 0.60 1.07 0.00 0.00 -0.61 0.00 0.00 39.78 40.84 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 -2.62 -1.80 -0.03 6.41 2.85 0.51 -5.11 115.26 115.48 1f22 n ASN 57 Ca 0.00 0.48 0.00 0.00 -0.11 0.00 0.00 54.58 54.95 1f22 n ASN 57 Cb 0.00 1.84 0.00 0.00 1.24 0.00 0.00 39.78 42.86 1f22 n ASN 57 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1f22 n GLY 58 N -0.50 0.98 3.80 8.20 0.00 0.14 -4.88 105.19 112.94 1f22 n GLY 58 Ca 0.00 -1.23 -0.32 0.00 0.00 0.00 0.00 46.02 44.47 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 -3.71 3.09 0.07 1.61 0.04 -1.26 -4.99 135.00 129.84 1f22 s PRO 59 Ca 0.00 1.17 0.00 0.00 0.04 0.00 0.00 61.00 62.21 1f22 s PRO 59 Cb 0.00 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.54 1f22 s PRO 59 CO 0.00 -0.99 0.00 0.25 0.04 0.00 0.00 177.00 176.30 1f22 n THR 60 N -2.44 0.55 -2.91 1.26 -2.24 -1.26 -4.91 114.28 102.33 1f22 n THR 60 Ca 0.09 0.18 -0.34 0.00 -2.27 0.00 0.00 64.05 61.71 1f22 n THR 60 Cb 0.53 -1.15 -0.02 0.00 -2.10 0.00 0.00 70.33 67.59 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 -3.02 4.05 0.00 -0.78 4.76 -1.26 -5.04 118.16 116.87 1f22 n LYS 61 Ca 0.00 -4.74 0.00 0.00 -2.87 0.00 0.00 58.31 50.70 1f22 n LYS 61 Cb 0.00 -2.35 0.00 0.00 -1.84 0.00 0.00 35.03 30.84 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 1.56 0.00 0.00 0.00 -1.26 -4.76 105.19 100.73 1f22 n GLY 63 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.21 2.01 -0.02 0.00 -1.26 -3.23 105.19 102.48 1f22 n GLY 64 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 3.03 -1.38 0.00 4.02 -1.20 -3.82 115.29 113.94 1f22 s HIS 66 Ca 0.00 1.13 -0.16 0.00 1.02 0.00 0.00 55.06 57.05 1f22 s HIS 66 Cb 0.00 -3.45 0.06 0.00 -1.02 0.00 0.00 32.58 28.17 1f22 s HIS 66 CO 0.00 -1.44 1.98 -0.89 1.02 0.00 0.00 174.74 175.41 1f22 n ILE 67 N 5.06 3.71 1.50 0.60 2.08 -0.25 -4.59 119.36 127.47 1f22 n ILE 67 Ca 0.12 -3.58 0.12 0.00 0.56 0.00 0.00 62.75 59.97 1f22 n ILE 67 Cb 0.46 -2.48 0.71 0.00 -0.75 0.00 0.00 39.64 37.58 1f22 n ILE 67 CO 0.00 0.00 0.00 0.29 0.56 0.00 0.00 176.55 177.40