#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 -1.95 -0.99 0.00 2.03 -1.26 -4.20 116.55 110.18 1f22 n ASP 2 Ca 0.00 0.34 0.00 0.00 0.52 0.00 0.00 54.79 55.65 1f22 n ASP 2 Cb 0.00 -1.22 0.00 0.00 -0.72 0.00 0.00 41.12 39.18 1f22 n ASP 2 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 1f22 n VAL 3 N -3.63 0.00 -3.78 5.18 0.24 -1.26 -4.87 118.33 110.22 1f22 n VAL 3 Ca 0.07 0.00 -0.21 0.00 -2.04 0.00 0.00 64.34 62.16 1f22 n VAL 3 Cb 0.53 0.00 -0.03 0.00 -1.47 0.00 0.00 33.84 32.87 1f22 n VAL 3 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1f22 s VAL 4 N -0.02 3.68 0.01 3.34 0.11 -0.88 -4.95 120.40 121.70 1f22 s VAL 4 Ca 0.00 -1.31 0.01 0.00 -2.93 0.00 0.00 61.98 57.75 1f22 s VAL 4 Cb 0.00 -3.24 -0.01 0.00 -1.53 0.00 0.00 36.38 31.60 1f22 s VAL 4 CO 0.00 -0.18 -0.04 0.28 -3.33 0.00 0.00 175.10 171.83 1f22 s THR 5 N -2.27 0.31 -0.56 5.04 -1.32 -1.26 -0.94 115.64 114.64 1f22 s THR 5 Ca 0.41 -0.48 -0.22 0.00 -1.21 0.00 0.00 61.69 60.19 1f22 s THR 5 Cb -0.06 -0.32 0.06 0.00 -1.51 0.00 0.00 72.50 70.66 1f22 s THR 5 CO 0.27 -0.12 0.83 -0.31 -2.21 0.00 0.00 174.62 173.09 1f22 s TYR 6 N -0.59 2.86 -1.04 9.09 2.02 -0.19 -4.95 117.35 124.55 1f22 s TYR 6 Ca -0.04 -0.36 -0.20 0.00 -0.37 0.00 0.00 57.07 56.10 1f22 s TYR 6 Cb -0.05 -3.96 -0.08 0.00 -0.40 0.00 0.00 41.96 37.47 1f22 s TYR 6 CO -0.00 -1.32 1.97 -0.85 -1.57 0.00 0.00 175.55 173.78 1f22 n GLU 7 N 7.05 1.95 -1.90 -0.62 0.28 -1.26 -1.53 120.64 124.61 1f22 n GLU 7 Ca -0.03 -2.26 -0.29 0.00 -0.16 0.00 0.00 57.16 54.43 1f22 n GLU 7 Cb 0.46 -3.21 0.09 0.00 1.43 0.00 0.00 31.44 30.21 1f22 n GLU 7 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1f22 s ASN 8 N 4.87 4.44 -0.06 -1.84 2.20 -1.26 -5.00 114.94 118.28 1f22 s ASN 8 Ca 0.57 0.76 -0.24 0.00 -0.94 0.00 0.00 52.86 53.01 1f22 s ASN 8 Cb 0.10 -1.24 -0.19 0.00 -2.00 0.00 0.00 41.25 37.92 1f22 s ASN 8 CO 0.08 -1.95 0.98 0.50 -2.94 0.00 0.00 177.10 173.77 1f22 h LYS 9 N -1.09 -0.09 -0.35 3.55 3.11 -2.02 -3.35 116.57 116.33 1f22 h LYS 9 Ca -0.46 0.01 -0.03 0.00 -2.81 0.00 0.00 60.65 57.36 1f22 h LYS 9 Cb 1.33 0.02 -0.02 0.00 -1.00 0.00 0.00 32.23 32.56 1f22 h LYS 9 CO 0.65 0.48 0.11 1.57 -2.81 0.00 0.00 179.45 179.44 1f22 h LYS 10 N -0.76 0.50 0.00 1.90 5.09 -1.98 -3.44 116.57 117.88 1f22 h LYS 10 Ca -0.01 -0.07 0.00 0.00 0.09 0.00 0.00 60.65 60.66 1f22 h LYS 10 Cb 0.60 -0.09 0.00 0.00 0.10 0.00 0.00 32.23 32.84 1f22 h LYS 10 CO 0.02 0.44 0.00 0.41 -2.09 0.00 0.00 179.45 178.23 1f22 n GLY 11 N -1.15 1.88 3.73 0.07 0.00 -1.26 -4.83 105.19 103.64 1f22 n GLY 11 Ca 0.02 0.33 -0.65 0.00 0.00 0.00 0.00 46.02 45.72 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 1.54 -4.46 1.61 5.03 -1.26 -4.55 115.26 113.17 1f22 n ASN 12 Ca 0.00 1.15 -0.43 0.00 0.87 0.00 0.00 54.58 56.17 1f22 n ASN 12 Cb 0.00 -0.96 -0.03 0.00 -1.02 0.00 0.00 39.78 37.77 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 3.10 4.39 -0.15 2.41 1.01 -0.58 -3.18 120.40 127.39 1f22 s VAL 13 Ca 1.03 -0.73 -0.23 0.00 0.00 0.00 0.00 61.98 62.04 1f22 s VAL 13 Cb -1.37 -4.75 -0.03 0.00 0.00 0.00 0.00 36.38 30.24 1f22 s VAL 13 CO 0.77 -1.53 0.71 -0.89 0.00 0.00 0.00 175.10 174.16 1f22 s THR 14 N 3.78 4.99 -0.09 3.92 2.01 -1.11 -1.02 115.64 128.13 1f22 s THR 14 Ca 0.28 1.40 0.01 0.00 0.31 0.00 0.00 61.69 63.69 1f22 s THR 14 Cb -0.12 -4.03 0.02 0.00 0.01 0.00 0.00 72.50 68.38 1f22 s THR 14 CO 0.03 0.13 -0.09 0.72 -0.69 0.00 0.00 174.62 174.72 1f22 s PHE 15 N 1.61 1.39 0.43 4.92 -0.71 -0.11 -4.85 117.98 120.66 1f22 s PHE 15 Ca 0.34 -0.60 -0.23 0.00 -1.04 0.00 0.00 56.93 55.40 1f22 s PHE 15 Cb -0.17 -1.11 -0.08 0.00 -1.21 0.00 0.00 43.02 40.45 1f22 s PHE 15 CO 0.13 -0.39 1.08 -0.51 -1.34 0.00 0.00 175.22 174.19 1f22 s ASP 16 N 1.25 6.52 0.00 1.98 1.11 -1.26 -2.07 116.67 124.20 1f22 s ASP 16 Ca -0.04 2.09 0.00 0.00 0.18 0.00 0.00 52.55 54.78 1f22 s ASP 16 Cb -0.14 -2.59 0.00 0.00 1.07 0.00 0.00 42.92 41.27 1f22 s ASP 16 CO -0.03 -0.66 0.00 1.57 1.18 0.00 0.00 175.17 177.23 1f22 n HIS 17 N -0.35 0.00 -0.25 4.23 -0.00 -1.26 -4.26 115.22 113.33 1f22 n HIS 17 Ca 0.06 0.00 0.02 0.00 0.46 0.00 0.00 57.72 58.27 1f22 n HIS 17 Cb 0.50 0.15 0.10 0.00 -0.12 0.00 0.00 29.99 30.62 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 0.02 -0.39 1.57 3.11 -1.91 0.31 116.57 119.28 1f22 h LYS 18 Ca 0.00 -0.00 0.05 0.00 -2.81 0.00 0.00 60.65 57.89 1f22 h LYS 18 Cb 0.00 -0.00 -0.08 0.00 -1.00 0.00 0.00 32.23 31.15 1f22 h LYS 18 CO 0.00 0.01 -0.54 0.00 -2.81 0.00 0.00 179.45 176.11 1f22 h ALA 19 N 1.73 -0.78 -0.56 5.00 0.00 -1.96 0.11 119.26 122.80 1f22 h ALA 19 Ca 0.37 -0.00 0.06 0.00 0.00 0.00 0.00 54.91 55.33 1f22 h ALA 19 Cb 0.59 1.12 -0.03 0.00 0.00 0.00 0.00 17.79 19.46 1f22 h ALA 19 CO -0.73 -1.04 0.37 0.45 0.00 0.00 0.00 179.25 178.30 1f22 h HIS 20 N -0.40 0.53 0.66 0.00 3.86 -1.39 -0.68 115.15 117.74 1f22 h HIS 20 Ca 0.07 0.01 -0.03 0.00 -1.16 0.00 0.00 60.37 59.26 1f22 h HIS 20 Cb 0.58 -0.17 0.01 0.00 1.06 0.00 0.00 27.41 28.88 1f22 h HIS 20 CO -0.72 0.29 -0.32 0.00 0.86 0.00 0.00 177.93 178.04 1f22 h ALA 21 N 1.70 -0.89 -0.52 2.45 0.00 0.16 0.11 119.26 122.27 1f22 h ALA 21 Ca 0.24 -0.20 -0.11 0.00 0.00 0.00 0.00 54.91 54.84 1f22 h ALA 21 Cb 0.28 0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 1f22 h ALA 21 CO -0.07 -0.98 -0.12 1.05 0.00 0.00 0.00 179.25 179.13 1f22 h GLU 22 N -0.94 0.98 0.60 0.00 4.11 -0.54 0.78 114.58 119.57 1f22 h GLU 22 Ca -0.09 -0.36 -0.03 0.00 0.07 0.00 0.00 59.36 58.95 1f22 h GLU 22 Cb 0.70 -0.06 0.01 0.00 0.50 0.00 0.00 28.75 29.89 1f22 h GLU 22 CO 0.15 1.04 -0.29 0.87 0.07 0.00 0.00 179.01 180.85 1f22 h LYS 23 N 0.87 -0.78 0.00 1.06 1.79 -1.13 -3.39 116.57 115.00 1f22 h LYS 23 Ca 0.13 0.05 -0.02 0.00 -2.18 0.00 0.00 60.65 58.64 1f22 h LYS 23 Cb 0.68 0.18 -0.00 0.00 -1.58 0.00 0.00 32.23 31.50 1f22 h LYS 23 CO 0.05 -0.49 -0.35 -0.07 -1.08 0.00 0.00 179.45 177.51 1f22 h LEU 24 N -0.89 0.00 0.00 2.94 -0.00 -0.69 -3.51 115.31 113.16 1f22 h LEU 24 Ca -0.08 -0.08 0.00 0.00 -0.00 0.00 0.00 57.88 57.72 1f22 h LEU 24 Cb 0.65 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.31 1f22 h LEU 24 CO 0.14 0.72 0.00 0.61 -0.00 0.00 0.00 178.44 179.90 1f22 n GLY 25 N 1.67 -1.12 0.00 0.83 0.00 0.27 -4.94 105.19 101.90 1f22 n GLY 25 Ca -0.06 0.38 0.00 0.00 0.00 0.00 0.00 46.02 46.34 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 -0.07 -0.27 0.00 5.75 -1.20 -0.40 116.55 120.37 1f22 n ASP 27 Ca 0.00 0.68 0.22 0.00 -0.01 0.00 0.00 54.79 55.69 1f22 n ASP 27 Cb 0.00 -0.24 0.41 0.00 -1.03 0.00 0.00 41.12 40.26 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 -3.54 0.72 0.00 2.12 0.00 -1.26 -3.24 120.51 115.31 1f22 n ALA 28 Ca 0.09 0.86 0.00 0.00 0.00 0.00 0.00 53.44 54.39 1f22 n ALA 28 Cb 0.29 -0.79 0.00 0.00 0.00 0.00 0.00 19.45 18.95 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 3.88 0.10 0.00 3.76 0.46 -4.87 115.29 116.76 1f22 s HIS 30 Ca 0.00 -2.41 -0.24 0.00 -0.15 0.00 0.00 55.06 52.27 1f22 s HIS 30 Cb 0.00 -3.68 -0.12 0.00 1.11 0.00 0.00 32.58 29.89 1f22 s HIS 30 CO 0.00 -0.93 1.71 0.93 -0.85 0.00 0.00 174.74 175.60 1f22 h GLU 31 N 7.16 -0.12 0.00 1.40 5.08 -1.78 -3.16 114.58 123.16 1f22 h GLU 31 Ca 0.12 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 1f22 h GLU 31 Cb 0.96 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.23 1f22 h GLU 31 CO 0.83 -0.08 0.00 0.41 -1.00 0.00 0.00 179.01 179.18 1f22 n GLY 32 N -1.17 3.42 3.72 -3.84 0.00 -1.26 -4.85 105.19 101.21 1f22 n GLY 32 Ca -0.07 -1.85 -0.42 0.00 0.00 0.00 0.00 46.02 43.68 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 2.55 2.75 -0.02 2.61 -1.32 -1.26 -4.98 115.64 115.97 1f22 s THR 33 Ca 0.00 0.54 -0.30 0.00 -1.21 0.00 0.00 61.69 60.72 1f22 s THR 33 Cb 0.00 -3.35 -0.03 0.00 -1.51 0.00 0.00 72.50 67.61 1f22 s THR 33 CO 0.00 0.04 1.05 -2.16 -2.21 0.00 0.00 174.62 171.35 1f22 s PRO 34 N 1.05 4.48 -0.40 7.08 0.04 -1.26 -4.94 135.00 141.05 1f22 s PRO 34 Ca 0.68 1.51 0.10 0.00 0.04 0.00 0.00 61.00 63.33 1f22 s PRO 34 Cb -0.42 -3.47 0.38 0.00 0.04 0.00 0.00 34.50 31.03 1f22 s PRO 34 CO 0.32 -0.19 1.10 0.00 0.04 0.00 0.00 177.00 178.27 1f22 n ALA 35 N 4.28 1.17 -1.39 8.56 0.00 -1.26 -5.11 120.51 126.77 1f22 n ALA 35 Ca 0.08 -2.05 0.17 0.00 0.00 0.00 0.00 53.44 51.64 1f22 n ALA 35 Cb 0.49 -1.02 -0.09 0.00 0.00 0.00 0.00 19.45 18.83 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 -0.06 -3.17 0.00 0.00 5.02 -1.26 -5.00 118.16 113.69 1f22 n LYS 36 Ca 0.07 2.54 0.00 0.00 -2.02 0.00 0.00 58.31 58.90 1f22 n LYS 36 Cb 0.77 -3.72 0.00 0.00 -0.02 0.00 0.00 35.03 32.06 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 -4.25 0.00 -2.12 -0.18 5.41 -1.26 -5.11 119.36 111.85 1f22 n ILE 37 Ca -0.08 0.00 -0.03 0.00 1.00 0.00 0.00 62.75 63.64 1f22 n ILE 37 Cb 0.66 -1.27 0.00 0.00 -0.71 0.00 0.00 39.64 38.33 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 -2.87 -2.76 -2.94 -1.39 0.00 -1.26 -4.94 120.51 104.34 1f22 n ALA 38 Ca 0.00 0.40 -0.44 0.00 0.00 0.00 0.00 53.44 53.41 1f22 n ALA 38 Cb 0.43 -1.45 -0.01 0.00 0.00 0.00 0.00 19.45 18.41 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 -2.01 4.89 0.61 0.00 -1.09 -1.26 -4.95 121.20 117.40 1f22 s ILE 39 Ca 0.08 -2.12 -0.10 0.00 -2.23 0.00 0.00 60.65 56.28 1f22 s ILE 39 Cb -0.02 -4.85 -0.03 0.00 -1.58 0.00 0.00 42.46 35.99 1f22 s ILE 39 CO 0.34 -1.56 1.00 -1.81 -1.23 0.00 0.00 174.94 171.67 1f22 s ASP 40 N 3.22 6.04 0.28 3.58 1.01 -1.26 -4.59 116.67 124.95 1f22 s ASP 40 Ca 0.38 1.25 -0.01 0.00 0.71 0.00 0.00 52.55 54.87 1f22 s ASP 40 Cb -0.04 -2.28 0.61 0.00 1.01 0.00 0.00 42.92 42.22 1f22 s ASP 40 CO -0.05 -0.93 1.44 2.29 0.21 0.00 0.00 175.17 178.14 1f22 n LYS 41 N -2.71 -0.08 -0.30 8.23 2.85 -1.26 -0.09 118.16 124.80 1f22 n LYS 41 Ca 0.05 1.40 0.14 0.00 -1.05 0.00 0.00 58.31 58.85 1f22 n LYS 41 Cb 0.55 -2.18 0.31 0.00 -0.65 0.00 0.00 35.03 33.06 1f22 n LYS 41 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 177.40 177.13 1f22 h LYS 42 N 0.00 0.21 0.00 -1.58 3.64 -1.98 0.56 116.57 117.42 1f22 h LYS 42 Ca 0.52 -0.01 -0.12 0.00 -1.27 0.00 0.00 60.65 59.77 1f22 h LYS 42 Cb 1.00 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.75 1f22 h LYS 42 CO -0.89 0.14 -0.97 0.43 -2.27 0.00 0.00 179.45 175.89 1f22 n SER 43 N -5.21 1.85 -0.32 4.20 7.64 0.56 -4.24 113.62 118.10 1f22 n SER 43 Ca 0.22 0.51 -0.00 0.00 1.01 0.00 0.00 58.87 60.61 1f22 n SER 43 Cb 0.71 -0.89 0.06 0.00 -1.01 0.00 0.00 64.21 63.08 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 -0.81 0.25 -0.00 -0.43 0.00 -0.24 0.17 119.26 118.20 1f22 h ALA 44 Ca -0.18 0.27 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1f22 h ALA 44 Cb 0.92 0.85 0.00 0.00 0.00 0.00 0.00 17.79 19.56 1f22 h ALA 44 CO -0.11 -0.56 -0.26 0.72 0.00 0.00 0.00 179.25 179.04 1f22 n HIS 45 N -5.50 0.00 -0.04 0.00 -0.00 0.16 -1.17 115.22 108.67 1f22 n HIS 45 Ca 0.10 0.00 -0.04 0.00 -0.00 0.00 0.00 57.72 57.78 1f22 n HIS 45 Cb 0.41 -0.31 -0.01 0.00 -0.00 0.00 0.00 29.99 30.07 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 -1.36 0.26 -2.87 -0.41 0.00 0.26 -4.80 118.16 109.24 1f22 n LYS 46 Ca 0.08 0.25 -0.06 0.00 0.00 0.00 0.00 58.31 58.58 1f22 n LYS 46 Cb 0.33 -1.12 -0.00 0.00 0.00 0.00 0.00 35.03 34.23 1f22 n LYS 46 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1f22 s ASP 47 N -4.85 -1.15 0.00 3.14 1.01 0.35 -4.83 116.67 110.34 1f22 s ASP 47 Ca -0.12 -1.77 0.00 0.00 0.71 0.00 0.00 52.55 51.37 1f22 s ASP 47 Cb 0.02 1.67 0.00 0.00 1.01 0.00 0.00 42.92 45.61 1f22 s ASP 47 CO 0.17 -0.08 0.00 0.00 0.21 0.00 0.00 175.17 175.48 1f22 n ALA 48 N 3.09 0.73 0.01 5.23 0.00 -1.16 -4.78 120.51 123.62 1f22 n ALA 48 Ca 0.18 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.55 1f22 n ALA 48 Cb 0.55 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.94 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 -4.83 2.86 0.00 0.00 3.00 -0.32 -3.26 118.16 115.62 1f22 n LYS 50 Ca -0.05 -1.64 0.00 0.00 -0.00 0.00 0.00 58.31 56.62 1f22 n LYS 50 Cb 0.22 -2.44 0.00 0.00 0.00 0.00 0.00 35.03 32.81 1f22 n LYS 50 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.40 175.03 1f22 n THR 51 N 3.18 0.00 -0.19 3.15 5.66 -1.25 -4.68 114.28 120.15 1f22 n THR 51 Ca 0.61 0.00 -0.02 0.00 -3.05 0.00 0.00 64.05 61.59 1f22 n THR 51 Cb 0.49 -0.07 0.08 0.00 -1.55 0.00 0.00 70.33 69.28 1f22 n THR 51 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1f22 n HIS 53 N -4.93 2.83 0.00 0.00 8.25 -1.23 -4.24 115.22 115.89 1f22 n HIS 53 Ca 0.07 -2.69 0.00 0.00 -0.26 0.00 0.00 57.72 54.84 1f22 n HIS 53 Cb 0.21 -2.31 0.00 0.00 1.12 0.00 0.00 29.99 29.01 1f22 n HIS 53 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1f22 n LYS 54 N 5.67 0.00 -0.27 -0.41 5.02 -1.04 -3.93 118.16 123.19 1f22 n LYS 54 Ca 0.56 0.00 0.05 0.00 -2.02 0.00 0.00 58.31 56.90 1f22 n LYS 54 Cb 0.34 0.00 0.19 0.00 -0.02 0.00 0.00 35.03 35.55 1f22 n LYS 54 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1f22 h SER 55 N 0.00 0.46 -0.86 4.39 0.87 -1.86 -0.15 113.55 116.40 1f22 h SER 55 Ca 0.00 0.09 0.17 0.00 -1.23 0.00 0.00 61.79 60.81 1f22 h SER 55 Cb 0.00 0.02 -0.10 0.00 -0.44 0.00 0.00 62.40 61.87 1f22 h SER 55 CO 0.00 0.21 0.42 0.78 -0.53 0.00 0.00 176.83 177.72 1f22 h ASN 56 N 0.59 0.47 -1.72 6.23 2.35 -1.90 -3.46 115.58 118.13 1f22 h ASN 56 Ca 0.42 0.11 0.00 0.00 -0.55 0.00 0.00 56.30 56.28 1f22 h ASN 56 Cb 0.57 0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.98 1f22 h ASN 56 CO -0.34 0.15 0.00 0.59 -1.65 0.00 0.00 177.43 176.18 1f22 n ASN 57 N -4.92 0.00 -3.84 5.81 3.02 -0.07 -5.12 115.26 110.14 1f22 n ASN 57 Ca 0.19 0.00 -0.23 0.00 -0.03 0.00 0.00 54.58 54.50 1f22 n ASN 57 Cb 0.50 0.00 -0.17 0.00 -0.61 0.00 0.00 39.78 39.50 1f22 n ASN 57 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1f22 s GLY 58 N 0.00 0.58 0.20 7.41 0.00 -1.24 -3.34 107.32 110.92 1f22 s GLY 58 Ca 0.00 -0.24 -0.31 0.00 0.00 0.00 0.00 44.72 44.18 1f22 s GLY 58 CO 0.00 0.88 1.44 2.56 0.00 0.00 0.00 173.10 177.98 1f22 s PRO 59 N 1.65 4.28 -0.01 2.90 0.04 -1.26 -4.94 135.00 137.66 1f22 s PRO 59 Ca 0.01 2.24 -0.00 0.00 0.04 0.00 0.00 61.00 63.29 1f22 s PRO 59 Cb -0.13 -3.16 -0.00 0.00 0.04 0.00 0.00 34.50 31.25 1f22 s PRO 59 CO -0.05 -0.44 0.07 1.79 0.04 0.00 0.00 177.00 178.41 1f22 h THR 60 N 3.80 0.00 0.00 1.26 1.35 -1.99 -3.45 112.91 113.88 1f22 h THR 60 Ca -0.44 -0.15 0.00 0.00 -0.55 0.00 0.00 66.41 65.27 1f22 h THR 60 Cb 1.21 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.63 1f22 h THR 60 CO 0.82 0.00 0.00 0.29 -0.25 0.00 0.00 175.52 176.38 1f22 n LYS 61 N -2.45 0.00 0.00 4.72 4.76 -1.26 -5.14 118.16 118.79 1f22 n LYS 61 Ca -0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1f22 n LYS 61 Cb 0.01 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.20 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 2.81 1.73 0.30 0.00 0.00 -1.26 -4.78 105.19 103.99 1f22 n GLY 63 Ca 0.00 -0.21 0.08 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.33 0.25 -0.02 0.00 -1.26 -3.90 105.19 98.93 1f22 n GLY 64 Ca 0.00 0.88 0.00 0.00 0.00 0.00 0.00 46.02 46.90 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 -1.84 3.41 -0.54 0.00 4.02 -1.25 -2.73 115.29 116.36 1f22 s HIS 66 Ca 0.00 1.28 -0.05 0.00 1.02 0.00 0.00 55.06 57.31 1f22 s HIS 66 Cb 0.00 -3.04 -0.05 0.00 -1.02 0.00 0.00 32.58 28.47 1f22 s HIS 66 CO 0.00 -0.27 3.01 -0.89 1.02 0.00 0.00 174.74 177.61 1f22 n ILE 67 N 4.80 3.58 0.00 0.60 -0.00 -1.19 -4.22 119.36 122.93 1f22 n ILE 67 Ca 0.05 -2.67 0.00 0.00 -0.00 0.00 0.00 62.75 60.13 1f22 n ILE 67 Cb 0.48 -1.88 0.00 0.00 -0.00 0.00 0.00 39.64 38.24 1f22 n ILE 67 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.55 177.72