#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 0.42 -3.80 0.00 5.75 -1.26 -4.77 116.55 112.89 1f22 n ASP 2 Ca 0.00 0.24 -0.13 0.00 -0.01 0.00 0.00 54.79 54.90 1f22 n ASP 2 Cb 0.00 -0.23 -0.10 0.00 -1.03 0.00 0.00 41.12 39.76 1f22 n ASP 2 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1f22 s VAL 3 N -3.05 0.05 0.13 2.12 0.11 -1.26 -0.27 120.40 118.23 1f22 s VAL 3 Ca 0.11 -0.41 -0.01 0.00 -2.93 0.00 0.00 61.98 58.74 1f22 s VAL 3 Cb 0.16 -0.50 -0.04 0.00 -1.53 0.00 0.00 36.38 34.47 1f22 s VAL 3 CO 0.62 -0.23 0.06 -0.69 -3.33 0.00 0.00 175.10 171.53 1f22 s VAL 4 N -0.95 0.11 0.01 2.04 1.01 -0.43 -4.87 120.40 117.31 1f22 s VAL 4 Ca -0.10 -1.92 0.05 0.00 0.00 0.00 0.00 61.98 60.01 1f22 s VAL 4 Cb -0.05 -2.06 -0.02 0.00 0.00 0.00 0.00 36.38 34.26 1f22 s VAL 4 CO 0.02 -0.45 -0.14 0.28 0.00 0.00 0.00 175.10 174.81 1f22 s THR 5 N -4.04 1.13 -0.45 3.92 -1.32 -1.26 -1.46 115.64 112.16 1f22 s THR 5 Ca 0.25 -0.77 -0.27 0.00 -1.21 0.00 0.00 61.69 59.69 1f22 s THR 5 Cb 0.07 -0.97 0.03 0.00 -1.51 0.00 0.00 72.50 70.12 1f22 s THR 5 CO 0.02 0.20 1.00 -0.31 -2.21 0.00 0.00 174.62 173.32 1f22 s TYR 6 N -0.53 2.91 0.16 9.09 2.02 -1.11 -4.93 117.35 124.96 1f22 s TYR 6 Ca 0.04 0.56 -0.30 0.00 -0.37 0.00 0.00 57.07 57.00 1f22 s TYR 6 Cb -0.06 -4.08 -0.08 0.00 -0.40 0.00 0.00 41.96 37.34 1f22 s TYR 6 CO 0.00 -1.11 1.22 -1.83 -1.57 0.00 0.00 175.55 172.26 1f22 s GLU 7 N 3.95 4.46 0.31 -0.62 -1.05 -1.26 -0.67 118.70 123.81 1f22 s GLU 7 Ca 0.41 1.89 0.02 0.00 -0.15 0.00 0.00 54.97 57.14 1f22 s GLU 7 Cb -0.09 -3.25 -0.02 0.00 -0.44 0.00 0.00 34.13 30.32 1f22 s GLU 7 CO 0.27 -0.16 0.32 -0.80 0.95 0.00 0.00 175.26 175.84 1f22 s ASN 8 N 0.38 1.07 0.21 0.83 0.01 -0.68 -4.96 114.94 111.80 1f22 s ASN 8 Ca 0.55 -1.56 0.00 0.00 -0.71 0.00 0.00 52.86 51.14 1f22 s ASN 8 Cb -0.33 0.56 0.19 0.00 0.41 0.00 0.00 41.25 42.08 1f22 s ASN 8 CO 0.35 -1.10 1.54 0.50 -1.51 0.00 0.00 177.10 176.89 1f22 h LYS 9 N 2.23 0.44 0.00 -0.60 3.64 -2.03 -3.33 116.57 116.91 1f22 h LYS 9 Ca -0.28 -0.27 0.00 0.00 -1.27 0.00 0.00 60.65 58.83 1f22 h LYS 9 Cb 1.24 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.09 1f22 h LYS 9 CO 0.40 0.87 0.00 1.63 -2.27 0.00 0.00 179.45 180.08 1f22 n LYS 10 N -3.94 0.00 0.00 1.90 4.76 -1.26 -5.05 118.16 114.57 1f22 n LYS 10 Ca -0.03 0.22 0.00 0.00 -2.87 0.00 0.00 58.31 55.63 1f22 n LYS 10 Cb 0.59 -1.15 0.00 0.00 -1.84 0.00 0.00 35.03 32.64 1f22 n LYS 10 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1f22 n GLY 11 N -0.28 4.11 2.97 0.72 0.00 -1.25 -4.86 105.19 106.60 1f22 n GLY 11 Ca 0.00 -0.81 -0.31 0.00 0.00 0.00 0.00 46.02 44.90 1f22 n GLY 11 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1f22 s ASN 12 N 1.60 3.94 -0.63 1.61 0.02 0.12 -1.68 114.94 119.92 1f22 s ASN 12 Ca 0.00 -1.20 -0.26 0.00 -1.02 0.00 0.00 52.86 50.38 1f22 s ASN 12 Cb 0.00 -1.26 -0.07 0.00 0.02 0.00 0.00 41.25 39.94 1f22 s ASN 12 CO 0.00 -0.22 2.21 -0.69 0.02 0.00 0.00 177.10 178.42 1f22 s VAL 13 N 1.33 3.15 -0.81 1.60 1.01 0.15 -4.43 120.40 122.41 1f22 s VAL 13 Ca -0.06 0.01 -0.21 0.00 0.00 0.00 0.00 61.98 61.72 1f22 s VAL 13 Cb -0.19 -3.38 0.09 0.00 0.00 0.00 0.00 36.38 32.91 1f22 s VAL 13 CO -0.06 -0.36 1.09 -0.89 0.00 0.00 0.00 175.10 174.88 1f22 s THR 14 N 11.65 4.43 -0.23 3.92 2.01 -0.75 -2.77 115.64 133.92 1f22 s THR 14 Ca 0.85 -0.88 -0.05 0.00 0.31 0.00 0.00 61.69 61.92 1f22 s THR 14 Cb -0.14 -4.77 -0.02 0.00 0.01 0.00 0.00 72.50 67.58 1f22 s THR 14 CO 0.18 -1.54 0.01 0.72 -0.69 0.00 0.00 174.62 173.30 1f22 s PHE 15 N 3.63 3.02 0.22 4.92 -0.71 -0.54 -4.97 117.98 123.57 1f22 s PHE 15 Ca 0.29 -0.65 -0.30 0.00 -1.04 0.00 0.00 56.93 55.24 1f22 s PHE 15 Cb -0.10 -2.16 -0.09 0.00 -1.21 0.00 0.00 43.02 39.47 1f22 s PHE 15 CO 0.00 -0.42 1.24 0.34 -1.34 0.00 0.00 175.22 175.04 1f22 s ASP 16 N 1.46 7.01 0.00 1.98 -1.08 -1.26 -1.32 116.67 123.46 1f22 s ASP 16 Ca 0.05 2.36 0.06 0.00 -0.52 0.00 0.00 52.55 54.50 1f22 s ASP 16 Cb -0.15 -2.62 0.16 0.00 -1.46 0.00 0.00 42.92 38.86 1f22 s ASP 16 CO 0.00 -0.41 1.12 1.57 0.52 0.00 0.00 175.17 177.97 1f22 n HIS 17 N 2.12 0.24 0.00 -5.34 -0.00 0.62 -4.36 115.22 108.50 1f22 n HIS 17 Ca 0.04 -0.48 0.00 0.00 -0.00 0.00 0.00 57.72 57.27 1f22 n HIS 17 Cb 0.44 -0.04 0.00 0.00 -0.00 0.00 0.00 29.99 30.39 1f22 n HIS 17 CO 0.00 0.00 0.00 0.36 -0.00 0.00 0.00 176.34 176.70 1f22 n LYS 18 N 0.06 0.00 -0.16 1.57 0.00 -0.92 -4.44 118.16 114.27 1f22 n LYS 18 Ca 0.06 0.00 -0.04 0.00 -0.00 0.00 0.00 58.31 58.34 1f22 n LYS 18 Cb 0.34 -0.35 0.03 0.00 -0.00 0.00 0.00 35.03 35.05 1f22 n LYS 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1f22 h ALA 19 N 0.00 0.22 0.00 0.58 0.00 -1.85 0.33 119.26 118.54 1f22 h ALA 19 Ca 0.00 0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1f22 h ALA 19 Cb 0.39 0.49 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1f22 h ALA 19 CO 0.00 -0.51 0.00 0.45 0.00 0.00 0.00 179.25 179.19 1f22 h HIS 20 N -0.07 0.00 0.01 0.00 3.86 -1.85 -1.45 115.15 115.66 1f22 h HIS 20 Ca 0.24 0.00 -0.30 0.00 -1.16 0.00 0.00 60.37 59.15 1f22 h HIS 20 Cb 0.44 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 28.87 1f22 h HIS 20 CO -0.48 0.00 -1.64 0.00 0.86 0.00 0.00 177.93 176.67 1f22 n ALA 21 N -2.01 0.90 -0.12 2.45 0.00 0.71 -3.95 120.51 118.49 1f22 n ALA 21 Ca -0.02 -0.64 -0.12 0.00 0.00 0.00 0.00 53.44 52.65 1f22 n ALA 21 Cb 0.08 -0.42 -0.02 0.00 0.00 0.00 0.00 19.45 19.09 1f22 n ALA 21 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1f22 h GLU 22 N -0.86 0.83 -0.04 0.00 4.11 -0.30 0.77 114.58 119.08 1f22 h GLU 22 Ca -0.44 -0.40 0.02 0.00 0.07 0.00 0.00 59.36 58.61 1f22 h GLU 22 Cb 1.46 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.68 1f22 h GLU 22 CO -0.22 1.03 -0.08 0.87 0.07 0.00 0.00 179.01 180.68 1f22 h LYS 23 N 0.63 -0.12 0.00 1.06 1.79 -1.50 -3.36 116.57 115.07 1f22 h LYS 23 Ca 0.07 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.55 1f22 h LYS 23 Cb 0.83 0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.50 1f22 h LYS 23 CO 0.07 -0.08 -0.33 -0.07 -1.08 0.00 0.00 179.45 177.95 1f22 h LEU 24 N -0.13 0.00 0.00 2.94 -0.00 -1.66 -3.51 115.31 112.96 1f22 h LEU 24 Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.93 1f22 h LEU 24 Cb 0.19 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.85 1f22 h LEU 24 CO -0.11 0.60 0.00 0.61 -0.00 0.00 0.00 178.44 179.54 1f22 n GLY 25 N 1.68 -0.41 0.00 0.83 0.00 0.27 -4.95 105.19 102.60 1f22 n GLY 25 Ca -0.05 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 -0.08 -0.31 0.00 5.75 -0.81 -0.62 116.55 120.47 1f22 n ASP 27 Ca 0.00 0.63 0.19 0.00 -0.01 0.00 0.00 54.79 55.59 1f22 n ASP 27 Cb 0.00 -0.21 0.36 0.00 -1.03 0.00 0.00 41.12 40.24 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 -3.64 0.62 0.00 2.12 0.00 -1.26 -3.39 120.51 114.96 1f22 n ALA 28 Ca 0.07 0.98 0.00 0.00 0.00 0.00 0.00 53.44 54.50 1f22 n ALA 28 Cb 0.24 -0.80 0.00 0.00 0.00 0.00 0.00 19.45 18.89 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 -1.87 0.56 0.00 0.00 3.76 0.07 -5.07 115.29 112.74 1f22 s HIS 30 Ca 0.00 -0.11 0.00 0.00 -0.15 0.00 0.00 55.06 54.80 1f22 s HIS 30 Cb 0.00 -0.41 0.00 0.00 1.11 0.00 0.00 32.58 33.28 1f22 s HIS 30 CO 0.00 -0.05 0.00 -0.85 -0.85 0.00 0.00 174.74 172.99 1f22 n GLU 31 N 3.19 0.00 -0.26 1.40 0.28 -1.26 -1.92 120.64 122.06 1f22 n GLU 31 Ca -0.16 0.00 -0.07 0.00 -0.16 0.00 0.00 57.16 56.77 1f22 n GLU 31 Cb 0.56 0.00 -0.06 0.00 1.43 0.00 0.00 31.44 33.37 1f22 n GLU 31 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1f22 n GLY 32 N 2.29 -2.07 3.64 -1.84 0.00 -1.26 -4.68 105.19 101.26 1f22 n GLY 32 Ca 0.00 0.83 -0.08 0.00 0.00 0.00 0.00 46.02 46.77 1f22 n GLY 32 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1f22 s THR 33 N -4.95 0.00 -0.02 2.61 -1.32 -1.26 -5.16 115.64 105.54 1f22 s THR 33 Ca -0.08 0.00 -0.22 0.00 -1.21 0.00 0.00 61.69 60.19 1f22 s THR 33 Cb 0.07 -1.00 -0.05 0.00 -1.51 0.00 0.00 72.50 70.01 1f22 s THR 33 CO 0.39 0.00 0.65 -2.16 -2.21 0.00 0.00 174.62 171.29 1f22 s PRO 34 N 0.60 4.39 -0.44 7.08 0.04 -1.26 -4.98 135.00 140.43 1f22 s PRO 34 Ca -0.01 0.81 0.08 0.00 0.04 0.00 0.00 61.00 61.92 1f22 s PRO 34 Cb -0.05 -3.39 0.32 0.00 0.04 0.00 0.00 34.50 31.43 1f22 s PRO 34 CO -0.09 0.24 0.99 0.00 0.04 0.00 0.00 177.00 178.18 1f22 n ALA 35 N 3.14 0.02 -1.42 8.56 0.00 -1.26 -5.10 120.51 124.45 1f22 n ALA 35 Ca -0.04 -2.03 0.18 0.00 0.00 0.00 0.00 53.44 51.55 1f22 n ALA 35 Cb 0.51 -1.10 -0.06 0.00 0.00 0.00 0.00 19.45 18.80 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 0.43 -2.99 0.00 0.00 5.02 -1.26 -5.03 118.16 114.33 1f22 n LYS 36 Ca 0.12 2.17 0.00 0.00 -2.02 0.00 0.00 58.31 58.58 1f22 n LYS 36 Cb 0.68 -3.61 0.00 0.00 -0.02 0.00 0.00 35.03 32.09 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 -4.21 0.00 0.00 -0.18 2.08 -1.26 -5.12 119.36 110.67 1f22 n ILE 37 Ca -0.03 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.28 1f22 n ILE 37 Cb 0.68 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.57 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 -3.00 0.00 -2.28 -1.39 0.00 -1.26 -5.12 120.51 107.46 1f22 n ALA 38 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 1f22 n ALA 38 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 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 0.00 3.81 0.44 0.00 -1.09 -1.26 -4.93 121.20 118.17 1f22 s ILE 39 Ca 0.00 0.83 0.08 0.00 -2.23 0.00 0.00 60.65 59.32 1f22 s ILE 39 Cb 0.00 -4.10 0.00 0.00 -1.58 0.00 0.00 42.46 36.78 1f22 s ILE 39 CO 0.00 -0.70 0.47 -0.62 -1.23 0.00 0.00 174.94 172.86 1f22 s ASP 40 N 4.38 5.20 0.26 3.58 2.15 -1.26 -4.88 116.67 126.10 1f22 s ASP 40 Ca 0.65 -0.70 -0.08 0.00 0.43 0.00 0.00 52.55 52.85 1f22 s ASP 40 Cb -0.15 -0.45 0.44 0.00 -0.30 0.00 0.00 42.92 42.45 1f22 s ASP 40 CO 0.33 -0.77 1.59 0.50 -0.17 0.00 0.00 175.17 176.64 1f22 h LYS 41 N 0.83 0.02 0.00 4.34 3.64 -1.98 0.72 116.57 124.14 1f22 h LYS 41 Ca -0.40 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.98 1f22 h LYS 41 Cb 1.27 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.09 1f22 h LYS 41 CO 0.52 0.01 0.00 1.63 -2.27 0.00 0.00 179.45 179.34 1f22 n LYS 42 N -5.52 0.00 -0.10 1.90 5.02 -1.26 -0.81 118.16 117.39 1f22 n LYS 42 Ca 0.14 0.57 -0.07 0.00 -2.02 0.00 0.00 58.31 56.93 1f22 n LYS 42 Cb 0.49 -1.49 -0.01 0.00 -0.02 0.00 0.00 35.03 34.00 1f22 n LYS 42 CO 0.00 0.00 0.00 0.77 -0.52 0.00 0.00 177.40 177.65 1f22 h SER 43 N 0.00 -0.90 -0.62 4.39 0.02 -1.85 -0.98 113.55 113.61 1f22 h SER 43 Ca 0.00 0.17 0.10 0.00 -0.84 0.00 0.00 61.79 61.22 1f22 h SER 43 Cb 0.00 0.43 -0.11 0.00 0.14 0.00 0.00 62.40 62.86 1f22 h SER 43 CO 0.00 -0.29 -0.41 0.00 -1.14 0.00 0.00 176.83 174.99 1f22 h ALA 44 N 0.87 -0.22 -0.69 3.77 0.00 -0.87 0.29 119.26 122.41 1f22 h ALA 44 Ca 0.17 0.14 -0.39 0.00 0.00 0.00 0.00 54.91 54.83 1f22 h ALA 44 Cb 0.50 0.93 -0.21 0.00 0.00 0.00 0.00 17.79 19.00 1f22 h ALA 44 CO -0.49 -0.78 0.50 0.72 0.00 0.00 0.00 179.25 179.21 1f22 n HIS 45 N -5.42 2.17 0.02 0.00 -0.00 0.01 -0.71 115.22 111.29 1f22 n HIS 45 Ca 0.03 -1.69 0.00 0.00 -0.00 0.00 0.00 57.72 56.06 1f22 n HIS 45 Cb 0.35 -0.85 0.00 0.00 -0.00 0.00 0.00 29.99 29.49 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 -0.52 0.00 -2.99 -0.41 0.00 -0.13 -4.95 118.16 109.16 1f22 n LYS 46 Ca 0.42 0.00 -0.14 0.00 0.00 0.00 0.00 58.31 58.59 1f22 n LYS 46 Cb 1.13 0.00 0.02 0.00 0.00 0.00 0.00 35.03 36.18 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 -2.63 -0.05 0.00 3.14 5.75 0.84 -4.75 116.55 118.84 1f22 n ASP 47 Ca 0.00 -3.13 0.00 0.00 -0.01 0.00 0.00 54.79 51.65 1f22 n ASP 47 Cb 0.00 0.13 0.00 0.00 -1.03 0.00 0.00 41.12 40.22 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 0.22 0.21 0.01 2.12 0.00 -0.70 -4.83 120.51 117.53 1f22 n ALA 48 Ca 0.17 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.49 1f22 n ALA 48 Cb 0.70 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 20.05 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 -4.84 2.74 0.14 0.00 4.76 0.11 -3.63 118.16 117.44 1f22 n LYS 50 Ca -0.08 -1.58 0.00 0.00 -2.87 0.00 0.00 58.31 53.77 1f22 n LYS 50 Cb 0.29 -2.41 0.00 0.00 -1.84 0.00 0.00 35.03 31.07 1f22 n LYS 50 CO 0.00 0.00 0.00 2.41 -1.37 0.00 0.00 177.40 178.44 1f22 n THR 51 N 3.25 0.00 -0.17 -0.18 -1.04 -1.19 -4.61 114.28 110.34 1f22 n THR 51 Ca 0.58 0.00 -0.02 0.00 -2.04 0.00 0.00 64.05 62.58 1f22 n THR 51 Cb 0.46 -0.18 0.08 0.00 -1.82 0.00 0.00 70.33 68.87 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 -5.07 1.03 0.36 0.00 8.25 -1.25 -4.58 115.22 113.95 1f22 n HIS 53 Ca 0.06 -2.03 -0.18 0.00 -0.26 0.00 0.00 57.72 55.32 1f22 n HIS 53 Cb 0.25 -1.85 -0.09 0.00 1.12 0.00 0.00 29.99 29.42 1f22 n HIS 53 CO 0.00 0.00 0.00 0.87 0.64 0.00 0.00 176.34 177.85 1f22 h LYS 54 N 4.32 -0.87 -0.74 -0.41 6.56 -1.90 -3.34 116.57 120.19 1f22 h LYS 54 Ca 0.46 0.06 -0.43 0.00 -1.06 0.00 0.00 60.65 59.67 1f22 h LYS 54 Cb 0.81 0.20 -0.42 0.00 -0.57 0.00 0.00 32.23 32.26 1f22 h LYS 54 CO 0.95 -0.58 -0.94 0.43 -2.06 0.00 0.00 179.45 177.25 1f22 n SER 55 N -5.49 3.51 -4.44 0.86 7.64 -1.26 -5.04 113.62 109.41 1f22 n SER 55 Ca -0.13 -3.08 -0.32 0.00 1.01 0.00 0.00 58.87 56.34 1f22 n SER 55 Cb 0.38 -0.41 -0.14 0.00 -1.01 0.00 0.00 64.21 63.02 1f22 n SER 55 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 1f22 s ASN 56 N -3.63 3.81 0.19 6.43 -0.87 -1.25 -5.05 114.94 114.57 1f22 s ASN 56 Ca 0.41 -0.26 0.00 0.00 -1.57 0.00 0.00 52.86 51.44 1f22 s ASN 56 Cb 0.38 -0.74 0.00 0.00 -0.02 0.00 0.00 41.25 40.87 1f22 s ASN 56 CO -0.01 0.34 0.00 -3.20 -2.57 0.00 0.00 177.10 171.66 1f22 n ASN 57 N 2.35 -4.46 -4.73 -1.22 2.85 -1.26 -4.96 115.26 103.82 1f22 n ASN 57 Ca -0.17 0.36 -0.23 0.00 -0.11 0.00 0.00 54.58 54.43 1f22 n ASN 57 Cb 0.52 -2.31 0.09 0.00 1.24 0.00 0.00 39.78 39.33 1f22 n ASN 57 CO 0.00 0.00 0.00 -0.83 -2.11 0.00 0.00 177.26 174.32 1f22 s GLY 58 N -5.07 1.77 0.24 8.20 0.00 -1.26 -5.04 107.32 106.15 1f22 s GLY 58 Ca 0.00 -1.64 -0.31 0.00 0.00 0.00 0.00 44.72 42.77 1f22 s GLY 58 CO 0.00 -1.13 1.68 2.56 0.00 0.00 0.00 173.10 176.21 1f22 s PRO 59 N -5.08 4.12 0.37 2.90 0.04 -1.26 -4.71 135.00 131.38 1f22 s PRO 59 Ca 0.65 2.60 0.00 0.00 0.04 0.00 0.00 61.00 64.28 1f22 s PRO 59 Cb -0.06 -3.06 0.00 0.00 0.04 0.00 0.00 34.50 31.42 1f22 s PRO 59 CO 0.43 -0.71 0.00 0.25 0.04 0.00 0.00 177.00 177.01 1f22 n THR 60 N 3.39 0.00 0.00 1.26 -2.24 -1.26 -5.06 114.28 110.37 1f22 n THR 60 Ca 0.13 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.91 1f22 n THR 60 Cb 0.36 -0.08 0.00 0.00 -2.10 0.00 0.00 70.33 68.51 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 -3.30 0.00 -1.29 -0.78 5.02 -1.26 -4.66 118.16 111.89 1f22 n LYS 61 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1f22 n LYS 61 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1f22 n LYS 61 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1f22 n GLY 63 N 5.00 1.76 0.00 0.00 0.00 -1.26 -4.80 105.19 105.89 1f22 n GLY 63 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 0.00 0.18 -0.02 0.00 -1.26 -0.23 105.19 103.86 1f22 n GLY 64 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 1f22 n GLY 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1f22 h HIS 66 N -0.51 1.11 -5.55 0.00 3.86 -1.65 -1.98 115.15 110.43 1f22 h HIS 66 Ca -0.59 -0.25 -0.08 0.00 -1.16 0.00 0.00 60.37 58.30 1f22 h HIS 66 Cb 1.66 -0.27 0.00 0.00 1.06 0.00 0.00 27.41 29.87 1f22 h HIS 66 CO -0.03 1.06 -0.62 -0.89 0.86 0.00 0.00 177.93 178.30 1f22 n ILE 67 N -4.13 -9.62 -1.37 2.45 2.08 0.69 0.13 119.36 109.59 1f22 n ILE 67 Ca 0.01 0.68 0.00 0.00 0.56 0.00 0.00 62.75 64.00 1f22 n ILE 67 Cb 0.43 -6.53 0.00 0.00 -0.75 0.00 0.00 39.64 32.79 1f22 n ILE 67 CO 0.00 0.00 0.00 1.17 0.56 0.00 0.00 176.55 178.28