#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 2.23 -1.57 0.00 9.92 -1.26 -4.14 116.55 121.73 1f22 n ASP 2 Ca 0.00 0.64 0.00 0.00 -0.53 0.00 0.00 54.79 54.90 1f22 n ASP 2 Cb 0.00 -1.22 0.00 0.00 -0.64 0.00 0.00 41.12 39.26 1f22 n ASP 2 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 1f22 n VAL 3 N 6.35 -8.21 -4.49 2.53 0.31 -1.26 -4.93 118.33 108.63 1f22 n VAL 3 Ca 0.37 1.77 -0.25 0.00 -0.01 0.00 0.00 64.34 66.21 1f22 n VAL 3 Cb 0.19 -4.38 -0.10 0.00 -0.91 0.00 0.00 33.84 28.65 1f22 n VAL 3 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1f22 s VAL 4 N -0.30 2.39 0.08 2.52 1.01 -0.63 -4.90 120.40 120.56 1f22 s VAL 4 Ca 0.00 -2.23 0.07 0.00 0.00 0.00 0.00 61.98 59.82 1f22 s VAL 4 Cb 0.00 -2.57 -0.03 0.00 0.00 0.00 0.00 36.38 33.78 1f22 s VAL 4 CO 0.00 -0.26 -0.20 0.28 0.00 0.00 0.00 175.10 174.92 1f22 s THR 5 N -2.56 1.62 -0.10 3.92 -1.32 -1.26 -0.55 115.64 115.39 1f22 s THR 5 Ca 0.32 -1.37 0.30 0.00 -1.21 0.00 0.00 61.69 59.73 1f22 s THR 5 Cb -0.00 -1.45 0.36 0.00 -1.51 0.00 0.00 72.50 69.89 1f22 s THR 5 CO 0.16 0.03 1.88 1.88 -2.21 0.00 0.00 174.62 176.37 1f22 h TYR 6 N 4.43 0.00 -5.77 9.09 0.05 -1.71 -3.48 116.97 119.57 1f22 h TYR 6 Ca -0.44 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.34 1f22 h TYR 6 Cb 1.17 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.91 1f22 h TYR 6 CO 0.57 0.00 -0.99 0.39 -1.05 0.00 0.00 178.16 177.08 1f22 n GLU 7 N -2.93 -1.88 -3.98 4.88 1.02 -1.26 -4.94 120.64 111.56 1f22 n GLU 7 Ca 0.01 1.78 -0.09 0.00 -0.02 0.00 0.00 57.16 58.84 1f22 n GLU 7 Cb 0.33 -3.11 -0.10 0.00 -0.02 0.00 0.00 31.44 28.54 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 -1.27 0.26 0.36 1.62 4.22 -1.26 -4.92 114.94 113.93 1f22 s ASN 8 Ca -0.01 -0.60 0.19 0.00 -2.14 0.00 0.00 52.86 50.30 1f22 s ASN 8 Cb 0.00 0.18 0.51 0.00 1.28 0.00 0.00 41.25 43.22 1f22 s ASN 8 CO 0.38 -0.45 1.65 0.07 -2.04 0.00 0.00 177.10 176.70 1f22 h LYS 9 N 3.90 0.00 -0.69 3.55 2.10 -2.01 0.46 116.57 123.89 1f22 h LYS 9 Ca -0.33 0.00 0.15 0.00 -2.00 0.00 0.00 60.65 58.48 1f22 h LYS 9 Cb 1.18 0.00 -0.12 0.00 -0.90 0.00 0.00 32.23 32.40 1f22 h LYS 9 CO 0.50 0.38 0.02 0.87 -2.00 0.00 0.00 179.45 179.22 1f22 h LYS 10 N 0.00 0.12 0.00 0.07 1.79 -2.00 -3.43 116.57 113.12 1f22 h LYS 10 Ca -0.00 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.46 1f22 h LYS 10 Cb 1.05 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.67 1f22 h LYS 10 CO 0.05 0.08 0.00 0.41 -1.08 0.00 0.00 179.45 178.91 1f22 n GLY 11 N -1.39 0.00 3.10 3.86 0.00 -1.05 -4.55 105.19 105.16 1f22 n GLY 11 Ca 0.12 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.96 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 -7.00 -4.61 1.61 5.03 0.13 -4.13 115.26 106.28 1f22 n ASN 12 Ca 0.00 0.37 -0.44 0.00 0.87 0.00 0.00 54.58 55.38 1f22 n ASN 12 Cb 0.00 -3.79 -0.04 0.00 -1.02 0.00 0.00 39.78 34.93 1f22 n ASN 12 CO 0.00 0.00 0.00 0.52 -1.83 0.00 0.00 177.26 175.95 1f22 n VAL 13 N -0.04 0.48 -2.79 2.41 0.31 -1.26 -4.77 118.33 112.67 1f22 n VAL 13 Ca 0.03 -0.31 -0.37 0.00 -0.01 0.00 0.00 64.34 63.67 1f22 n VAL 13 Cb 0.50 -2.34 -0.06 0.00 -0.91 0.00 0.00 33.84 31.03 1f22 n VAL 13 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1f22 s THR 14 N 6.66 4.21 -0.13 2.52 2.01 -1.26 -1.96 115.64 127.69 1f22 s THR 14 Ca 0.97 1.83 -0.04 0.00 0.31 0.00 0.00 61.69 64.76 1f22 s THR 14 Cb -0.45 -4.03 0.06 0.00 0.01 0.00 0.00 72.50 68.09 1f22 s THR 14 CO 0.40 0.17 0.25 0.72 -0.69 0.00 0.00 174.62 175.47 1f22 s PHE 15 N -1.58 -0.38 -1.14 4.92 -0.71 0.28 -4.97 117.98 114.40 1f22 s PHE 15 Ca 0.49 0.87 -0.23 0.00 -1.04 0.00 0.00 56.93 57.03 1f22 s PHE 15 Cb -0.19 -0.09 -0.07 0.00 -1.21 0.00 0.00 43.02 41.46 1f22 s PHE 15 CO 0.24 -0.36 1.91 -0.51 -1.34 0.00 0.00 175.22 175.16 1f22 s ASP 16 N 2.40 5.22 0.02 1.98 1.11 -1.26 -1.60 116.67 124.54 1f22 s ASP 16 Ca 0.02 -1.54 -0.06 0.00 0.18 0.00 0.00 52.55 51.14 1f22 s ASP 16 Cb -0.12 -2.58 -0.02 0.00 1.07 0.00 0.00 42.92 41.26 1f22 s ASP 16 CO -0.08 -2.84 1.11 -0.74 1.18 0.00 0.00 175.17 173.79 1f22 h HIS 17 N 9.85 -0.33 -0.31 4.23 2.76 -1.90 0.47 115.15 129.91 1f22 h HIS 17 Ca 0.21 0.02 0.07 0.00 -2.20 0.00 0.00 60.37 58.47 1f22 h HIS 17 Cb 0.95 0.15 -0.07 0.00 1.55 0.00 0.00 27.41 29.99 1f22 h HIS 17 CO 1.23 -0.10 -0.17 -0.22 -1.30 0.00 0.00 177.93 177.37 1f22 h LYS 18 N -0.09 -0.13 -0.01 5.26 3.64 -1.88 0.96 116.57 124.33 1f22 h LYS 18 Ca 0.01 0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.43 1f22 h LYS 18 Cb 0.12 0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 31.91 1f22 h LYS 18 CO -0.11 -0.09 -0.48 0.00 -2.27 0.00 0.00 179.45 176.51 1f22 h ALA 19 N 1.08 -0.80 -0.86 5.00 0.00 -1.92 0.14 119.26 121.90 1f22 h ALA 19 Ca 0.16 -0.06 0.16 0.00 0.00 0.00 0.00 54.91 55.17 1f22 h ALA 19 Cb 0.38 0.85 -0.10 0.00 0.00 0.00 0.00 17.79 18.92 1f22 h ALA 19 CO -0.39 -1.03 0.44 0.45 0.00 0.00 0.00 179.25 178.71 1f22 h HIS 20 N -0.62 0.76 0.77 0.00 3.86 -0.45 0.24 115.15 119.71 1f22 h HIS 20 Ca 0.03 0.04 -0.03 0.00 -1.16 0.00 0.00 60.37 59.24 1f22 h HIS 20 Cb 0.69 -0.21 0.00 0.00 1.06 0.00 0.00 27.41 28.96 1f22 h HIS 20 CO -0.47 0.15 -0.42 0.00 0.86 0.00 0.00 177.93 178.05 1f22 h ALA 21 N 1.58 -1.11 -0.30 2.45 0.00 0.91 0.43 119.26 123.22 1f22 h ALA 21 Ca 0.48 -0.23 -0.12 0.00 0.00 0.00 0.00 54.91 55.04 1f22 h ALA 21 Cb 0.72 0.49 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 1f22 h ALA 21 CO -0.39 -1.13 -0.29 1.05 0.00 0.00 0.00 179.25 178.49 1f22 h GLU 22 N -1.10 0.72 0.10 0.00 4.11 -0.31 0.64 114.58 118.74 1f22 h GLU 22 Ca -0.10 -0.38 0.01 0.00 0.07 0.00 0.00 59.36 58.96 1f22 h GLU 22 Cb 0.86 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.11 1f22 h GLU 22 CO 0.14 1.00 -0.13 0.87 0.07 0.00 0.00 179.01 180.95 1f22 h LYS 23 N 0.47 -0.26 0.00 1.06 1.79 -1.00 -3.37 116.57 115.25 1f22 h LYS 23 Ca 0.05 0.02 -0.30 0.00 -2.18 0.00 0.00 60.65 58.24 1f22 h LYS 23 Cb 0.86 0.06 -0.04 0.00 -1.58 0.00 0.00 32.23 31.53 1f22 h LYS 23 CO 0.07 -0.17 -1.71 1.28 -1.08 0.00 0.00 179.45 177.84 1f22 n LEU 24 N -5.25 1.90 0.00 2.94 4.77 0.14 -5.07 117.00 116.42 1f22 n LEU 24 Ca -0.07 0.40 0.00 0.00 -0.03 0.00 0.00 56.01 56.31 1f22 n LEU 24 Cb 0.17 -0.89 0.00 0.00 -2.33 0.00 0.00 43.42 40.37 1f22 n LEU 24 CO 0.30 0.32 0.00 0.61 -1.33 0.00 0.00 177.39 177.29 1f22 n GLY 25 N 1.37 0.10 0.00 -0.72 0.00 0.22 -4.82 105.19 101.35 1f22 n GLY 25 Ca -0.39 0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.03 -0.16 0.00 5.75 -1.17 -0.38 116.55 120.55 1f22 n ASP 27 Ca 0.00 0.88 0.05 0.00 -0.01 0.00 0.00 54.79 55.70 1f22 n ASP 27 Cb 0.00 -0.33 0.10 0.00 -1.03 0.00 0.00 41.12 39.85 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 -3.31 0.17 0.00 2.12 0.00 -1.26 -3.59 120.51 114.63 1f22 n ALA 28 Ca 0.13 0.49 0.00 0.00 0.00 0.00 0.00 53.44 54.06 1f22 n ALA 28 Cb 0.43 -0.32 0.00 0.00 0.00 0.00 0.00 19.45 19.55 1f22 n ALA 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1f22 s HIS 30 N -1.47 3.28 0.00 0.00 3.76 0.49 -5.04 115.29 116.31 1f22 s HIS 30 Ca 0.00 -1.65 0.00 0.00 -0.15 0.00 0.00 55.06 53.26 1f22 s HIS 30 Cb 0.00 -2.32 0.00 0.00 1.11 0.00 0.00 32.58 31.37 1f22 s HIS 30 CO 0.00 -0.78 0.00 0.39 -0.85 0.00 0.00 174.74 173.50 1f22 n GLU 31 N 4.74 0.00 -1.28 1.40 1.02 -1.26 -3.07 120.64 122.19 1f22 n GLU 31 Ca -0.12 0.00 -0.43 0.00 -0.02 0.00 0.00 57.16 56.59 1f22 n GLU 31 Cb 0.44 0.00 -0.05 0.00 -0.02 0.00 0.00 31.44 31.81 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 4.13 2.83 0.23 0.62 0.00 -1.26 -4.62 105.19 107.12 1f22 n GLY 32 Ca 0.00 -1.31 0.00 0.00 0.00 0.00 0.00 46.02 44.71 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 5.91 -1.56 -2.42 2.61 -1.04 -1.26 -4.96 114.28 111.56 1f22 n THR 33 Ca 0.50 0.06 -0.41 0.00 -2.04 0.00 0.00 64.05 62.16 1f22 n THR 33 Cb 0.40 -1.46 -0.04 0.00 -1.82 0.00 0.00 70.33 67.42 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 -3.56 4.53 -0.46 -2.82 0.04 -1.26 -4.95 135.00 126.52 1f22 s PRO 34 Ca 0.00 1.83 0.07 0.00 0.04 0.00 0.00 61.00 62.94 1f22 s PRO 34 Cb 0.00 -3.24 0.28 0.00 0.04 0.00 0.00 34.50 31.58 1f22 s PRO 34 CO 0.00 -0.01 0.92 0.00 0.04 0.00 0.00 177.00 177.95 1f22 n ALA 35 N 2.29 -0.42 -1.27 8.56 0.00 -1.26 -5.12 120.51 123.29 1f22 n ALA 35 Ca 0.03 -1.84 0.14 0.00 0.00 0.00 0.00 53.44 51.77 1f22 n ALA 35 Cb 0.45 -1.17 -0.07 0.00 0.00 0.00 0.00 19.45 18.66 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 1.00 -2.65 0.00 0.00 2.85 -1.26 -5.01 118.16 113.09 1f22 n LYS 36 Ca 0.11 2.12 0.00 0.00 -1.05 0.00 0.00 58.31 59.49 1f22 n LYS 36 Cb 0.65 -3.23 0.00 0.00 -0.65 0.00 0.00 35.03 31.80 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 -4.03 0.00 0.00 0.58 5.41 -1.26 -5.07 119.36 114.99 1f22 n ILE 37 Ca -0.06 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.69 1f22 n ILE 37 Cb 0.59 -0.82 0.00 0.00 -0.71 0.00 0.00 39.64 38.69 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 -2.56 0.00 -2.32 -1.39 0.00 -1.26 -4.91 120.51 108.07 1f22 n ALA 38 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.44 1f22 n ALA 38 Cb 0.36 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.81 1f22 n ALA 38 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1f22 n ILE 39 N 0.00 -2.72 -3.71 0.00 2.08 -1.26 -5.01 119.36 108.74 1f22 n ILE 39 Ca 0.00 0.58 -0.21 0.00 0.56 0.00 0.00 62.75 63.68 1f22 n ILE 39 Cb 0.00 -2.61 0.01 0.00 -0.75 0.00 0.00 39.64 36.29 1f22 n ILE 39 CO 0.00 0.00 0.00 -0.90 0.56 0.00 0.00 176.55 176.21 1f22 n ASP 40 N 2.09 2.38 -0.24 4.38 5.75 -1.26 -4.86 116.55 124.80 1f22 n ASP 40 Ca -0.02 -2.55 0.00 0.00 -0.01 0.00 0.00 54.79 52.21 1f22 n ASP 40 Cb 0.03 -0.08 0.07 0.00 -1.03 0.00 0.00 41.12 40.12 1f22 n ASP 40 CO 0.00 0.00 0.00 0.50 -0.11 0.00 0.00 177.20 177.59 1f22 h LYS 41 N 0.00 -0.01 0.38 0.11 3.11 -1.97 0.16 116.57 118.34 1f22 h LYS 41 Ca -0.28 0.00 -0.01 0.00 -2.81 0.00 0.00 60.65 57.54 1f22 h LYS 41 Cb 1.07 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 32.29 1f22 h LYS 41 CO 0.44 -0.01 -0.30 -0.22 -2.81 0.00 0.00 179.45 176.56 1f22 h LYS 42 N -0.01 -0.63 0.10 1.90 3.64 -1.96 0.46 116.57 120.07 1f22 h LYS 42 Ca 0.33 0.04 0.02 0.00 -1.27 0.00 0.00 60.65 59.77 1f22 h LYS 42 Cb 0.51 0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 32.44 1f22 h LYS 42 CO -0.71 -0.42 -0.21 0.77 -2.27 0.00 0.00 179.45 176.60 1f22 h SER 43 N -0.65 -0.60 -0.44 4.20 0.02 -1.81 0.41 113.55 114.68 1f22 h SER 43 Ca -0.05 0.07 0.04 0.00 -0.84 0.00 0.00 61.79 61.01 1f22 h SER 43 Cb 0.54 0.23 -0.05 0.00 0.14 0.00 0.00 62.40 63.26 1f22 h SER 43 CO 0.01 -0.30 -0.28 0.00 -1.14 0.00 0.00 176.83 175.13 1f22 h ALA 44 N 0.40 -0.29 -0.00 3.77 0.00 -0.74 -1.66 119.26 120.74 1f22 h ALA 44 Ca 0.03 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1f22 h ALA 44 Cb 0.42 1.15 0.00 0.00 0.00 0.00 0.00 17.79 19.36 1f22 h ALA 44 CO -0.12 -0.48 -0.04 0.72 0.00 0.00 0.00 179.25 179.32 1f22 n HIS 45 N -4.05 0.00 0.00 0.00 8.25 0.15 -3.46 115.22 116.10 1f22 n HIS 45 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.47 1f22 n HIS 45 Cb 0.13 -0.27 0.00 0.00 1.12 0.00 0.00 29.99 30.97 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 -1.22 0.00 -2.34 -0.41 3.00 0.14 -4.93 118.16 112.40 1f22 n LYS 46 Ca 0.14 0.00 -0.03 0.00 -0.00 0.00 0.00 58.31 58.42 1f22 n LYS 46 Cb 0.26 -0.68 0.06 0.00 0.00 0.00 0.00 35.03 34.66 1f22 n LYS 46 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1f22 n ASP 47 N -0.51 -1.06 0.00 3.14 2.03 -0.90 -5.00 116.55 114.26 1f22 n ASP 47 Ca 0.00 -1.78 0.00 0.00 0.52 0.00 0.00 54.79 53.53 1f22 n ASP 47 Cb 0.00 0.63 0.00 0.00 -0.72 0.00 0.00 41.12 41.03 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 -0.69 0.00 -0.02 -1.67 0.00 -0.99 -4.77 120.51 112.38 1f22 n ALA 48 Ca -0.13 -0.01 -0.11 0.00 0.00 0.00 0.00 53.44 53.19 1f22 n ALA 48 Cb 0.71 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 20.07 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 -4.77 1.06 0.00 0.00 2.85 -1.26 -2.62 118.16 113.42 1f22 n LYS 50 Ca -0.08 -0.43 0.00 0.00 -1.05 0.00 0.00 58.31 56.75 1f22 n LYS 50 Cb 0.32 -1.62 0.00 0.00 -0.65 0.00 0.00 35.03 33.08 1f22 n LYS 50 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 177.40 179.76 1f22 n THR 51 N 2.38 0.00 -0.16 0.58 -1.04 -1.25 -4.63 114.28 110.16 1f22 n THR 51 Ca 0.19 0.00 -0.04 0.00 -2.04 0.00 0.00 64.05 62.15 1f22 n THR 51 Cb 0.50 -0.22 0.02 0.00 -1.82 0.00 0.00 70.33 68.80 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 -0.13 0.00 -0.36 0.00 3.86 -1.82 0.09 115.15 116.80 1f22 h HIS 53 Ca 0.23 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.40 1f22 h HIS 53 Cb 0.49 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.95 1f22 h HIS 53 CO -0.52 0.03 0.08 0.87 0.86 0.00 0.00 177.93 179.24 1f22 h LYS 54 N 0.00 0.58 -0.34 2.45 1.57 -1.53 0.18 116.57 119.47 1f22 h LYS 54 Ca -0.00 -0.15 -0.01 0.00 -1.87 0.00 0.00 60.65 58.62 1f22 h LYS 54 Cb 0.21 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.43 1f22 h LYS 54 CO 0.00 0.64 0.18 1.03 -0.57 0.00 0.00 179.45 180.73 1f22 h SER 55 N 0.43 0.44 -0.91 0.86 0.87 -0.93 -2.13 113.55 112.18 1f22 h SER 55 Ca 0.11 -0.10 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 1f22 h SER 55 Cb 0.32 -0.11 -0.04 0.00 -0.44 0.00 0.00 62.40 62.13 1f22 h SER 55 CO 0.00 0.42 0.57 0.78 -0.53 0.00 0.00 176.83 178.07 1f22 h ASN 56 N 0.43 1.07 -4.01 6.23 2.35 -1.27 -3.48 115.58 116.90 1f22 h ASN 56 Ca 0.12 -0.05 0.00 0.00 -0.55 0.00 0.00 56.30 55.82 1f22 h ASN 56 Cb 0.09 -0.27 0.00 0.00 0.05 0.00 0.00 38.32 38.19 1f22 h ASN 56 CO -0.02 0.81 -0.36 -3.20 -1.65 0.00 0.00 177.43 173.01 1f22 n ASN 57 N -4.41 -4.78 0.00 5.81 2.85 0.61 -5.08 115.26 110.27 1f22 n ASN 57 Ca 0.10 0.49 0.00 0.00 -0.11 0.00 0.00 54.58 55.06 1f22 n ASN 57 Cb 0.04 -3.02 0.00 0.00 1.24 0.00 0.00 39.78 38.04 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 0.01 0.13 3.76 8.20 0.00 -1.25 -5.07 105.19 110.98 1f22 n GLY 58 Ca 0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 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 0.00 2.50 0.00 1.61 0.04 -1.26 -4.99 135.00 132.90 1f22 s PRO 59 Ca 0.00 1.36 0.00 0.00 0.04 0.00 0.00 61.00 62.40 1f22 s PRO 59 Cb 0.00 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.63 1f22 s PRO 59 CO 0.00 -1.48 0.00 -2.37 0.04 0.00 0.00 177.00 173.19 1f22 n THR 60 N -2.86 0.00 0.00 1.26 5.66 -1.26 -5.00 114.28 112.08 1f22 n THR 60 Ca 0.10 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.10 1f22 n THR 60 Cb 0.52 -0.35 0.00 0.00 -1.55 0.00 0.00 70.33 68.96 1f22 n THR 60 CO 0.00 0.00 0.00 2.29 -3.05 0.00 0.00 175.07 174.31 1f22 n LYS 61 N -1.91 0.00 -0.27 1.09 2.85 -1.26 -5.13 118.16 113.54 1f22 n LYS 61 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1f22 n LYS 61 Cb 0.28 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.66 1f22 n LYS 61 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1f22 n GLY 63 N 5.00 0.45 1.81 0.00 0.00 -1.26 -4.91 105.19 106.28 1f22 n GLY 63 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.11 -0.09 0.31 -0.02 0.00 -1.26 -4.71 105.19 98.31 1f22 n GLY 64 Ca -0.02 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.03 2.55 -1.28 0.00 4.02 -1.26 -4.35 115.29 112.94 1f22 s HIS 66 Ca -0.02 0.67 -0.18 0.00 1.02 0.00 0.00 55.06 56.55 1f22 s HIS 66 Cb 0.01 -4.37 0.01 0.00 -1.02 0.00 0.00 32.58 27.20 1f22 s HIS 66 CO 0.04 -1.71 1.95 -0.89 1.02 0.00 0.00 174.74 175.14 1f22 n ILE 67 N 6.98 3.27 -1.77 0.60 2.08 -1.26 -4.69 119.36 124.57 1f22 n ILE 67 Ca 0.14 -3.18 0.00 0.00 0.56 0.00 0.00 62.75 60.28 1f22 n ILE 67 Cb 0.48 -2.41 0.00 0.00 -0.75 0.00 0.00 39.64 36.97 1f22 n ILE 67 CO 0.00 0.00 0.00 1.17 0.56 0.00 0.00 176.55 178.28