#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 4.22 -0.46 0.00 9.92 -1.26 -1.15 116.55 127.81 1f22 n ASP 2 Ca 0.00 -3.59 0.00 0.00 -0.53 0.00 0.00 54.79 50.67 1f22 n ASP 2 Cb 0.00 -0.60 0.00 0.00 -0.64 0.00 0.00 41.12 39.88 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 0.18 -2.22 -3.65 2.53 0.31 -1.26 -4.83 118.33 109.39 1f22 n VAL 3 Ca 0.31 0.68 -0.07 0.00 -0.01 0.00 0.00 64.34 65.24 1f22 n VAL 3 Cb 0.40 -1.26 0.02 0.00 -0.91 0.00 0.00 33.84 32.08 1f22 n VAL 3 CO 0.00 0.00 0.00 0.55 -1.32 0.00 0.00 176.83 176.06 1f22 n VAL 4 N -0.62 0.00 -3.75 2.52 3.14 -1.05 -4.93 118.33 113.64 1f22 n VAL 4 Ca 0.00 -0.84 -0.13 0.00 -2.96 0.00 0.00 64.34 60.41 1f22 n VAL 4 Cb 0.00 0.77 -0.08 0.00 -1.06 0.00 0.00 33.84 33.47 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 -2.37 0.07 -0.36 1.55 -1.32 -1.26 -0.51 115.64 111.43 1f22 s THR 5 Ca 0.14 -0.54 -0.09 0.00 -1.21 0.00 0.00 61.69 59.99 1f22 s THR 5 Cb -0.03 -0.74 0.04 0.00 -1.51 0.00 0.00 72.50 70.26 1f22 s THR 5 CO 0.10 -0.30 0.17 -0.31 -2.21 0.00 0.00 174.62 172.07 1f22 s TYR 6 N -1.77 3.26 0.18 9.09 1.51 -0.85 -4.97 117.35 123.81 1f22 s TYR 6 Ca -0.10 -1.25 -0.32 0.00 -1.01 0.00 0.00 57.07 54.39 1f22 s TYR 6 Cb -0.04 -2.43 -0.11 0.00 -0.11 0.00 0.00 41.96 39.28 1f22 s TYR 6 CO 0.02 -0.71 1.66 -1.83 -1.11 0.00 0.00 175.55 173.57 1f22 s GLU 7 N 1.47 4.17 0.24 -0.62 -1.05 -1.26 -0.71 118.70 120.93 1f22 s GLU 7 Ca 0.00 2.49 -0.16 0.00 -0.15 0.00 0.00 54.97 57.16 1f22 s GLU 7 Cb -0.20 -3.14 0.01 0.00 -0.44 0.00 0.00 34.13 30.37 1f22 s GLU 7 CO 0.04 -0.69 0.55 -0.80 0.95 0.00 0.00 175.26 175.31 1f22 s ASN 8 N 1.24 -0.18 0.23 0.83 0.01 -1.26 -4.92 114.94 110.89 1f22 s ASN 8 Ca 0.73 -0.73 0.26 0.00 -0.71 0.00 0.00 52.86 52.41 1f22 s ASN 8 Cb -0.47 0.62 0.86 0.00 0.41 0.00 0.00 41.25 42.67 1f22 s ASN 8 CO 0.32 -1.16 1.76 1.17 -1.51 0.00 0.00 177.10 177.67 1f22 n LYS 9 N -0.39 0.25 -0.03 -0.60 3.00 -1.26 -1.55 118.16 117.58 1f22 n LYS 9 Ca -0.05 0.27 -0.12 0.00 -0.00 0.00 0.00 58.31 58.42 1f22 n LYS 9 Cb 0.61 -1.83 -0.10 0.00 0.00 0.00 0.00 35.03 33.72 1f22 n LYS 9 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.40 178.27 1f22 h LYS 10 N 0.00 -0.05 0.00 1.64 1.79 -1.98 -3.45 116.57 114.52 1f22 h LYS 10 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1f22 h LYS 10 Cb 0.64 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.30 1f22 h LYS 10 CO 0.00 0.63 0.00 0.41 -1.08 0.00 0.00 179.45 179.41 1f22 n GLY 11 N 1.10 0.00 5.99 3.86 0.00 -1.21 -4.58 105.19 110.34 1f22 n GLY 11 Ca -0.08 0.00 0.03 0.00 0.00 0.00 0.00 46.02 45.97 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 -5.31 -3.69 1.61 5.03 -0.59 0.10 115.26 112.41 1f22 n ASN 12 Ca 0.00 0.23 -0.26 0.00 0.87 0.00 0.00 54.58 55.42 1f22 n ASN 12 Cb 0.00 -0.63 -0.17 0.00 -1.02 0.00 0.00 39.78 37.96 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 -0.35 0.24 -0.03 2.41 1.01 0.11 -4.08 120.40 119.71 1f22 s VAL 13 Ca 0.00 -0.24 -0.30 0.00 0.00 0.00 0.00 61.98 61.44 1f22 s VAL 13 Cb 0.00 -0.73 -0.03 0.00 0.00 0.00 0.00 36.38 35.62 1f22 s VAL 13 CO 0.00 -0.14 1.09 0.28 0.00 0.00 0.00 175.10 176.33 1f22 s THR 14 N 2.00 4.53 -0.52 3.92 -1.32 -0.49 -2.01 115.64 121.75 1f22 s THR 14 Ca 0.01 1.82 -0.17 0.00 -1.21 0.00 0.00 61.69 62.14 1f22 s THR 14 Cb -0.16 -4.17 0.08 0.00 -1.51 0.00 0.00 72.50 66.75 1f22 s THR 14 CO -0.08 0.07 0.54 -0.36 -2.21 0.00 0.00 174.62 172.58 1f22 s PHE 15 N 1.62 3.14 -0.64 9.09 0.40 0.33 -4.94 117.98 126.98 1f22 s PHE 15 Ca 0.53 -0.87 -0.18 0.00 -0.60 0.00 0.00 56.93 55.82 1f22 s PHE 15 Cb -0.23 -3.55 -0.15 0.00 0.51 0.00 0.00 43.02 39.60 1f22 s PHE 15 CO 0.24 -1.00 1.85 -0.25 0.70 0.00 0.00 175.22 176.76 1f22 n ASP 16 N 5.73 2.66 0.00 1.36 9.92 -1.26 -2.54 116.55 132.42 1f22 n ASP 16 Ca -0.10 -2.52 0.00 0.00 -0.53 0.00 0.00 54.79 51.64 1f22 n ASP 16 Cb 0.43 -0.98 0.00 0.00 -0.64 0.00 0.00 41.12 39.94 1f22 n ASP 16 CO 0.00 0.00 0.00 1.57 0.13 0.00 0.00 177.20 178.90 1f22 n HIS 17 N 6.75 0.00 -0.04 1.24 -0.00 -1.26 -0.34 115.22 121.57 1f22 n HIS 17 Ca 0.44 0.00 -0.10 0.00 0.46 0.00 0.00 57.72 58.53 1f22 n HIS 17 Cb 0.31 -0.39 -0.03 0.00 -0.12 0.00 0.00 29.99 29.77 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 0.22 -0.52 1.57 3.64 -1.43 0.44 116.57 120.48 1f22 h LYS 18 Ca 0.00 -0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.41 1f22 h LYS 18 Cb 0.00 -0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 31.71 1f22 h LYS 18 CO 0.00 0.14 -0.31 0.00 -2.27 0.00 0.00 179.45 177.02 1f22 n ALA 19 N -2.19 -0.33 0.19 5.00 0.00 -1.25 0.23 120.51 122.16 1f22 n ALA 19 Ca -0.03 0.44 0.04 0.00 0.00 0.00 0.00 53.44 53.90 1f22 n ALA 19 Cb 0.05 0.13 0.46 0.00 0.00 0.00 0.00 19.45 20.08 1f22 n ALA 19 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1f22 h HIS 20 N 0.00 0.07 -0.77 0.00 3.86 -0.33 0.81 115.15 118.79 1f22 h HIS 20 Ca 0.08 -0.01 -0.05 0.00 -1.16 0.00 0.00 60.37 59.24 1f22 h HIS 20 Cb 0.21 -0.02 -0.03 0.00 1.06 0.00 0.00 27.41 28.63 1f22 h HIS 20 CO -0.91 0.25 0.29 0.00 0.86 0.00 0.00 177.93 178.42 1f22 h ALA 21 N 1.75 1.05 0.16 2.45 0.00 0.15 0.25 119.26 125.06 1f22 h ALA 21 Ca 0.01 -0.20 -0.28 0.00 0.00 0.00 0.00 54.91 54.44 1f22 h ALA 21 Cb 0.37 -0.30 0.01 0.00 0.00 0.00 0.00 17.79 17.87 1f22 h ALA 21 CO 0.03 0.66 -1.34 1.05 0.00 0.00 0.00 179.25 179.65 1f22 h GLU 22 N 1.14 0.33 -0.26 0.00 4.11 0.30 -0.76 114.58 119.44 1f22 h GLU 22 Ca 0.26 -0.57 -0.17 0.00 0.07 0.00 0.00 59.36 58.95 1f22 h GLU 22 Cb 0.24 0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.71 1f22 h GLU 22 CO -0.02 1.27 -0.49 0.87 0.07 0.00 0.00 179.01 180.72 1f22 h LYS 23 N -0.17 0.79 0.00 1.06 1.79 -0.89 -3.40 116.57 115.74 1f22 h LYS 23 Ca -0.26 -0.50 0.00 0.00 -2.18 0.00 0.00 60.65 57.70 1f22 h LYS 23 Cb 1.86 0.06 0.00 0.00 -1.58 0.00 0.00 32.23 32.57 1f22 h LYS 23 CO 0.14 1.13 -0.27 1.28 -1.08 0.00 0.00 179.45 180.65 1f22 n LEU 24 N -4.10 0.54 0.00 2.94 4.77 0.83 -5.06 117.00 116.93 1f22 n LEU 24 Ca -0.05 0.09 0.00 0.00 -0.03 0.00 0.00 56.01 56.02 1f22 n LEU 24 Cb 0.59 -0.55 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 1f22 n LEU 24 CO 0.49 -0.44 0.00 0.61 -1.33 0.00 0.00 177.39 176.72 1f22 n GLY 25 N 1.57 -0.99 0.00 -0.72 0.00 -0.29 -4.94 105.19 99.82 1f22 n GLY 25 Ca -0.04 0.35 0.00 0.00 0.00 0.00 0.00 46.02 46.33 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 -0.02 -0.31 0.00 5.75 -1.19 -0.56 116.55 120.23 1f22 n ASP 27 Ca 0.00 0.90 0.29 0.00 -0.01 0.00 0.00 54.79 55.96 1f22 n ASP 27 Cb 0.00 -0.35 0.53 0.00 -1.03 0.00 0.00 41.12 40.27 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 -3.26 0.93 0.00 2.12 0.00 -1.26 -3.60 120.51 115.43 1f22 n ALA 28 Ca 0.14 0.98 0.00 0.00 0.00 0.00 0.00 53.44 54.56 1f22 n ALA 28 Cb 0.46 -0.95 0.00 0.00 0.00 0.00 0.00 19.45 18.96 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 -1.62 3.04 0.00 0.00 3.76 0.28 -5.03 115.29 115.71 1f22 s HIS 30 Ca 0.00 -1.53 0.00 0.00 -0.15 0.00 0.00 55.06 53.38 1f22 s HIS 30 Cb 0.00 -2.05 0.00 0.00 1.11 0.00 0.00 32.58 31.64 1f22 s HIS 30 CO 0.00 -0.73 0.00 0.39 -0.85 0.00 0.00 174.74 173.55 1f22 n GLU 31 N 4.67 0.00 -0.17 1.40 1.02 -1.26 -3.15 120.64 123.15 1f22 n GLU 31 Ca -0.17 0.00 -0.02 0.00 -0.02 0.00 0.00 57.16 56.96 1f22 n GLU 31 Cb 0.47 0.00 0.07 0.00 -0.02 0.00 0.00 31.44 31.96 1f22 n GLU 31 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 1f22 h GLY 32 N 0.00 0.53 -6.08 0.62 0.00 -1.98 -3.42 103.07 92.75 1f22 h GLY 32 Ca 0.00 0.07 -0.31 0.00 0.00 0.00 0.00 47.33 47.09 1f22 h GLY 32 CO 0.00 -0.15 -0.74 -1.59 0.00 0.00 0.00 176.54 174.06 1f22 s THR 33 N -6.17 0.13 -0.02 4.70 2.01 -1.26 -5.08 115.64 109.96 1f22 s THR 33 Ca -0.14 0.04 -0.23 0.00 0.31 0.00 0.00 61.69 61.68 1f22 s THR 33 Cb 0.17 -0.19 -0.20 0.00 0.01 0.00 0.00 72.50 72.28 1f22 s THR 33 CO 0.73 0.10 1.17 1.55 -0.69 0.00 0.00 174.62 177.48 1f22 h PRO 34 N 6.83 0.21 -3.66 4.92 0.13 -1.91 -3.47 132.00 135.05 1f22 h PRO 34 Ca -0.37 -0.16 -0.12 0.00 -0.87 0.00 0.00 66.00 64.48 1f22 h PRO 34 Cb 1.16 0.03 -0.08 0.00 0.13 0.00 0.00 31.00 32.24 1f22 h PRO 34 CO 0.49 0.79 -0.18 0.00 -0.23 0.00 0.00 178.00 178.88 1f22 n ALA 35 N -2.47 -0.27 -1.15 -0.56 0.00 -1.26 -4.19 120.51 110.61 1f22 n ALA 35 Ca -0.08 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1f22 n ALA 35 Cb 0.42 -0.50 0.00 0.00 0.00 0.00 0.00 19.45 19.36 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 -1.20 -3.28 -0.05 0.00 5.02 -1.26 -4.95 118.16 112.44 1f22 n LYS 36 Ca 0.02 2.45 -0.22 0.00 -2.02 0.00 0.00 58.31 58.55 1f22 n LYS 36 Cb 0.10 -2.80 -0.13 0.00 -0.02 0.00 0.00 35.03 32.18 1f22 n LYS 36 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 1f22 h ILE 37 N 1.05 0.80 -0.26 -0.18 2.04 -1.97 -3.49 117.51 115.50 1f22 h ILE 37 Ca 0.00 -2.25 0.00 0.00 1.00 0.00 0.00 64.86 63.61 1f22 h ILE 37 Cb 0.10 2.36 0.00 0.00 -0.74 0.00 0.00 36.82 38.53 1f22 h ILE 37 CO 0.00 0.56 0.00 0.00 0.00 0.00 0.00 178.15 178.71 1f22 n ALA 38 N -3.23 -0.03 -2.02 1.87 0.00 -1.26 -5.02 120.51 110.82 1f22 n ALA 38 Ca -0.32 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 52.86 1f22 n ALA 38 Cb 0.84 -0.05 -0.07 0.00 0.00 0.00 0.00 19.45 20.18 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 -1.84 3.49 0.50 0.00 -1.09 -1.26 -4.60 121.20 116.41 1f22 s ILE 39 Ca 0.00 -0.81 -0.01 0.00 -2.23 0.00 0.00 60.65 57.59 1f22 s ILE 39 Cb 0.00 -4.48 0.00 0.00 -1.58 0.00 0.00 42.46 36.40 1f22 s ILE 39 CO 0.00 -0.90 0.75 -0.62 -1.23 0.00 0.00 174.94 172.94 1f22 s ASP 40 N 6.78 5.72 0.23 3.58 2.15 -1.26 -4.88 116.67 128.98 1f22 s ASP 40 Ca 0.70 0.39 -0.11 0.00 0.43 0.00 0.00 52.55 53.96 1f22 s ASP 40 Cb -0.01 -1.53 0.31 0.00 -0.30 0.00 0.00 42.92 41.38 1f22 s ASP 40 CO 0.13 -0.85 1.61 0.07 -0.17 0.00 0.00 175.17 175.97 1f22 h LYS 41 N 0.20 0.01 0.00 4.34 5.09 -1.98 0.67 116.57 124.90 1f22 h LYS 41 Ca -0.46 -0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.28 1f22 h LYS 41 Cb 1.26 -0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.58 1f22 h LYS 41 CO 0.58 0.01 0.00 1.17 -2.09 0.00 0.00 179.45 179.12 1f22 n LYS 42 N -5.46 0.00 -0.16 0.07 4.81 -1.26 -1.07 118.16 115.08 1f22 n LYS 42 Ca 0.10 0.47 -0.12 0.00 -0.87 0.00 0.00 58.31 57.90 1f22 n LYS 42 Cb 0.39 -1.28 -0.08 0.00 0.02 0.00 0.00 35.03 34.08 1f22 n LYS 42 CO 0.00 0.00 0.00 0.77 1.17 0.00 0.00 177.40 179.34 1f22 h SER 43 N 0.00 -1.72 -0.53 3.14 0.02 -1.71 0.31 113.55 113.07 1f22 h SER 43 Ca 0.00 0.24 0.09 0.00 -0.84 0.00 0.00 61.79 61.28 1f22 h SER 43 Cb 0.00 0.73 -0.10 0.00 0.14 0.00 0.00 62.40 63.16 1f22 h SER 43 CO 0.00 -0.38 -0.40 0.00 -1.14 0.00 0.00 176.83 174.91 1f22 h ALA 44 N 0.20 -0.28 0.00 3.77 0.00 -0.93 0.16 119.26 122.18 1f22 h ALA 44 Ca 0.11 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1f22 h ALA 44 Cb 0.58 0.89 0.00 0.00 0.00 0.00 0.00 17.79 19.26 1f22 h ALA 44 CO -0.62 -0.79 -0.06 0.72 0.00 0.00 0.00 179.25 178.49 1f22 n HIS 45 N -5.42 0.57 0.00 0.00 8.25 -0.24 -0.65 115.22 117.74 1f22 n HIS 45 Ca 0.02 0.17 0.00 0.00 -0.26 0.00 0.00 57.72 57.64 1f22 n HIS 45 Cb 0.35 -0.75 0.00 0.00 1.12 0.00 0.00 29.99 30.71 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 -1.97 0.00 -3.28 -0.41 0.00 0.10 -4.78 118.16 107.82 1f22 n LYS 46 Ca 0.06 0.02 -0.25 0.00 0.00 0.00 0.00 58.31 58.14 1f22 n LYS 46 Cb 0.40 -0.21 -0.08 0.00 0.00 0.00 0.00 35.03 35.14 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 -1.67 0.50 0.00 3.14 8.00 0.45 -4.68 116.55 122.29 1f22 n ASP 47 Ca 0.00 -2.72 0.00 0.00 0.71 0.00 0.00 54.79 52.78 1f22 n ASP 47 Cb 0.00 -0.63 0.00 0.00 -0.02 0.00 0.00 41.12 40.47 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 1.67 0.00 0.16 2.24 0.00 -0.92 -4.77 120.51 118.89 1f22 n ALA 48 Ca 0.24 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.60 1f22 n ALA 48 Cb 0.50 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.91 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 -5.09 2.26 0.09 0.00 4.81 0.18 -2.85 118.16 117.55 1f22 n LYS 50 Ca -0.06 -1.49 0.00 0.00 -0.87 0.00 0.00 58.31 55.89 1f22 n LYS 50 Cb 0.20 -2.10 0.00 0.00 0.02 0.00 0.00 35.03 33.15 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 2.09 0.00 0.40 3.15 -1.04 -1.24 -4.72 114.28 112.92 1f22 n THR 51 Ca 0.47 0.00 -0.18 0.00 -2.04 0.00 0.00 64.05 62.29 1f22 n THR 51 Cb 0.77 -0.40 -0.09 0.00 -1.82 0.00 0.00 70.33 68.79 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 -1.00 0.00 0.17 0.00 3.86 -1.87 0.25 115.15 116.57 1f22 h HIS 53 Ca -0.10 -0.00 0.01 0.00 -1.16 0.00 0.00 60.37 59.12 1f22 h HIS 53 Cb 0.76 -0.00 -0.04 0.00 1.06 0.00 0.00 27.41 29.19 1f22 h HIS 53 CO -0.02 0.19 -0.33 0.87 0.86 0.00 0.00 177.93 179.50 1f22 h LYS 54 N 0.00 -0.56 -1.00 2.45 1.57 -1.81 0.53 116.57 117.76 1f22 h LYS 54 Ca -0.00 0.04 0.02 0.00 -1.87 0.00 0.00 60.65 58.83 1f22 h LYS 54 Cb 0.34 0.13 -0.05 0.00 0.08 0.00 0.00 32.23 32.73 1f22 h LYS 54 CO 0.02 -0.38 0.66 0.77 -0.57 0.00 0.00 179.45 179.96 1f22 h SER 55 N -0.59 1.13 -0.47 0.86 0.02 -0.05 -2.30 113.55 112.15 1f22 h SER 55 Ca 0.02 -0.02 -0.07 0.00 -0.84 0.00 0.00 61.79 60.88 1f22 h SER 55 Cb 0.59 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.84 1f22 h SER 55 CO -0.16 0.81 0.04 0.78 -1.14 0.00 0.00 176.83 177.15 1f22 h ASN 56 N 1.33 0.78 0.00 3.07 2.35 -0.49 -3.46 115.58 119.16 1f22 h ASN 56 Ca 0.37 -0.29 0.00 0.00 -0.55 0.00 0.00 56.30 55.84 1f22 h ASN 56 Cb -0.11 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.05 1f22 h ASN 56 CO -0.09 0.87 0.00 -3.20 -1.65 0.00 0.00 177.43 173.36 1f22 n ASN 57 N -4.40 0.00 0.00 5.81 2.85 0.14 -5.08 115.26 114.58 1f22 n ASN 57 Ca 0.01 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.48 1f22 n ASN 57 Cb 0.28 0.08 0.00 0.00 1.24 0.00 0.00 39.78 41.38 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 0.55 3.08 3.79 8.20 0.00 -0.93 -4.87 105.19 115.01 1f22 n GLY 58 Ca 0.00 -0.83 -0.35 0.00 0.00 0.00 0.00 46.02 44.83 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 -2.00 4.14 0.00 1.61 0.04 -1.26 -4.66 135.00 132.87 1f22 s PRO 59 Ca 0.00 1.40 0.00 0.00 0.04 0.00 0.00 61.00 62.44 1f22 s PRO 59 Cb 0.00 -2.42 0.00 0.00 0.04 0.00 0.00 34.50 32.12 1f22 s PRO 59 CO 0.00 -0.15 0.00 0.25 0.04 0.00 0.00 177.00 177.14 1f22 n THR 60 N -0.29 0.00 -3.06 1.26 -2.24 -1.26 -5.06 114.28 103.63 1f22 n THR 60 Ca 0.06 0.00 -0.31 0.00 -2.27 0.00 0.00 64.05 61.53 1f22 n THR 60 Cb 0.51 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.69 1f22 n THR 60 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 1f22 s LYS 61 N -0.84 3.85 0.00 -0.78 -2.85 -1.26 -5.11 119.74 112.75 1f22 s LYS 61 Ca 0.00 0.48 0.00 0.00 -1.00 0.00 0.00 55.97 55.45 1f22 s LYS 61 Cb 0.00 -2.45 0.00 0.00 -2.06 0.00 0.00 37.83 33.32 1f22 s LYS 61 CO 0.00 0.09 0.00 0.00 0.10 0.00 0.00 175.35 175.54 1f22 n GLY 63 N 1.05 1.34 0.18 0.00 0.00 -1.26 -4.77 105.19 101.73 1f22 n GLY 63 Ca 0.00 -0.06 -0.05 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.75 0.11 -0.02 0.00 -1.26 -3.34 105.19 98.93 1f22 n GLY 64 Ca 0.00 0.63 -0.14 0.00 0.00 0.00 0.00 46.02 46.51 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 -2.46 3.04 -1.38 0.00 3.76 -1.21 -1.39 115.29 115.64 1f22 s HIS 66 Ca -0.24 0.09 -0.14 0.00 -0.15 0.00 0.00 55.06 54.62 1f22 s HIS 66 Cb 0.07 -3.49 -0.01 0.00 1.11 0.00 0.00 32.58 30.26 1f22 s HIS 66 CO 0.61 -0.91 2.31 -0.89 -0.85 0.00 0.00 174.74 175.01 1f22 n ILE 67 N 5.98 3.35 -0.67 0.60 2.08 0.11 -4.24 119.36 126.57 1f22 n ILE 67 Ca 0.00 -2.70 0.00 0.00 0.56 0.00 0.00 62.75 60.62 1f22 n ILE 67 Cb 0.48 -2.56 0.00 0.00 -0.75 0.00 0.00 39.64 36.81 1f22 n ILE 67 CO 0.00 0.00 0.00 1.17 0.56 0.00 0.00 176.55 178.28