#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f22 h ASP 2 N 0.00 0.10 -3.32 0.00 2.03 -1.97 -3.41 116.42 109.84 1f22 h ASP 2 Ca 0.00 -0.84 -0.65 0.00 -0.73 0.00 0.00 57.03 54.81 1f22 h ASP 2 Cb 0.00 -0.03 -0.15 0.00 -0.83 0.00 0.00 39.33 38.32 1f22 h ASP 2 CO 0.00 1.25 -0.73 -0.69 -1.03 0.00 0.00 179.24 178.04 1f22 s VAL 3 N -2.31 3.34 0.26 4.15 1.01 -1.26 -0.45 120.40 125.13 1f22 s VAL 3 Ca -0.21 -1.41 -0.05 0.00 0.00 0.00 0.00 61.98 60.31 1f22 s VAL 3 Cb 0.01 -2.60 0.02 0.00 0.00 0.00 0.00 36.38 33.81 1f22 s VAL 3 CO 0.69 0.02 0.43 0.55 0.00 0.00 0.00 175.10 176.78 1f22 n VAL 4 N 0.41 0.00 -3.73 2.92 3.14 -0.43 -4.91 118.33 115.73 1f22 n VAL 4 Ca -0.12 -1.01 -0.10 0.00 -2.96 0.00 0.00 64.34 60.15 1f22 n VAL 4 Cb 0.54 0.73 -0.03 0.00 -1.06 0.00 0.00 33.84 34.01 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 -2.57 0.02 -0.25 1.55 -1.32 -1.26 -0.69 115.64 111.12 1f22 s THR 5 Ca 0.16 -0.74 0.02 0.00 -1.21 0.00 0.00 61.69 59.92 1f22 s THR 5 Cb -0.02 -1.58 0.06 0.00 -1.51 0.00 0.00 72.50 69.45 1f22 s THR 5 CO 0.12 -0.09 -0.08 -0.31 -2.21 0.00 0.00 174.62 172.05 1f22 s TYR 6 N -3.87 2.90 -0.07 9.09 1.51 -1.21 -4.97 117.35 120.73 1f22 s TYR 6 Ca 0.09 -2.10 -0.30 0.00 -1.01 0.00 0.00 57.07 53.75 1f22 s TYR 6 Cb -0.01 -1.81 -0.03 0.00 -0.11 0.00 0.00 41.96 40.00 1f22 s TYR 6 CO -0.03 -0.84 1.18 -1.21 -1.11 0.00 0.00 175.55 173.54 1f22 s GLU 7 N 1.22 4.36 0.00 -0.62 8.01 -1.26 -1.08 118.70 129.33 1f22 s GLU 7 Ca -0.07 1.63 0.00 0.00 0.01 0.00 0.00 54.97 56.54 1f22 s GLU 7 Cb -0.19 -3.56 0.00 0.00 -4.31 0.00 0.00 34.13 26.06 1f22 s GLU 7 CO -0.06 -0.44 0.00 0.09 0.01 0.00 0.00 175.26 174.86 1f22 n ASN 8 N 5.23 0.00 -0.10 -0.19 3.02 -0.02 -4.98 115.26 118.22 1f22 n ASN 8 Ca 0.11 0.00 -0.22 0.00 -0.03 0.00 0.00 54.58 54.43 1f22 n ASN 8 Cb 0.46 0.00 -0.12 0.00 -0.61 0.00 0.00 39.78 39.52 1f22 n ASN 8 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 1f22 n LYS 9 N 0.00 0.59 0.14 3.52 3.00 -1.26 -4.42 118.16 119.72 1f22 n LYS 9 Ca 0.00 0.52 -0.13 0.00 -0.00 0.00 0.00 58.31 58.70 1f22 n LYS 9 Cb 0.00 -1.72 -0.06 0.00 0.00 0.00 0.00 35.03 33.24 1f22 n LYS 9 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.40 177.18 1f22 h LYS 10 N -0.88 -0.40 0.00 1.64 1.63 -1.98 -3.49 116.57 113.10 1f22 h LYS 10 Ca -0.39 0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.44 1f22 h LYS 10 Cb 1.41 0.09 0.00 0.00 -0.60 0.00 0.00 32.23 33.13 1f22 h LYS 10 CO -0.19 -0.26 0.00 0.41 -3.45 0.00 0.00 179.45 175.95 1f22 n GLY 11 N -1.32 -0.75 3.49 5.01 0.00 -1.26 -4.76 105.19 105.61 1f22 n GLY 11 Ca -0.08 -0.71 -0.36 0.00 0.00 0.00 0.00 46.02 44.88 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 -4.00 5.23 -0.52 1.61 0.02 -1.26 -0.84 114.94 115.18 1f22 s ASN 12 Ca 0.00 -0.14 -0.24 0.00 -1.02 0.00 0.00 52.86 51.46 1f22 s ASN 12 Cb 0.00 -1.93 0.04 0.00 0.02 0.00 0.00 41.25 39.38 1f22 s ASN 12 CO 0.00 0.02 0.89 -0.69 0.02 0.00 0.00 177.10 177.35 1f22 s VAL 13 N 1.28 4.47 -0.14 1.60 1.01 -0.24 -2.88 120.40 125.50 1f22 s VAL 13 Ca 0.05 0.33 -0.29 0.00 0.00 0.00 0.00 61.98 62.07 1f22 s VAL 13 Cb -0.15 -4.47 -0.06 0.00 0.00 0.00 0.00 36.38 31.70 1f22 s VAL 13 CO 0.03 -0.99 2.02 -0.89 0.00 0.00 0.00 175.10 175.28 1f22 s THR 14 N 3.73 3.15 -0.07 3.92 2.01 -0.38 -3.31 115.64 124.70 1f22 s THR 14 Ca 0.30 0.16 -0.15 0.00 0.31 0.00 0.00 61.69 62.32 1f22 s THR 14 Cb -0.12 -3.16 -0.05 0.00 0.01 0.00 0.00 72.50 69.18 1f22 s THR 14 CO 0.20 -0.07 0.39 -0.36 -0.69 0.00 0.00 174.62 174.10 1f22 s PHE 15 N 6.47 3.61 -0.72 4.92 0.40 0.13 -4.95 117.98 127.85 1f22 s PHE 15 Ca 0.91 0.87 0.04 0.00 -0.60 0.00 0.00 56.93 58.15 1f22 s PHE 15 Cb -0.34 -2.36 0.25 0.00 0.51 0.00 0.00 43.02 41.08 1f22 s PHE 15 CO 0.36 0.44 0.85 -0.25 0.70 0.00 0.00 175.22 177.32 1f22 n ASP 16 N 2.66 4.17 0.27 1.36 8.00 -1.26 -1.31 116.55 130.43 1f22 n ASP 16 Ca -0.12 -3.42 -0.10 0.00 0.71 0.00 0.00 54.79 51.85 1f22 n ASP 16 Cb 0.52 -0.78 -0.05 0.00 -0.02 0.00 0.00 41.12 40.79 1f22 n ASP 16 CO 0.00 0.00 0.00 -0.74 -0.39 0.00 0.00 177.20 176.07 1f22 h HIS 17 N 4.48 -0.63 -0.13 1.24 2.76 -1.15 0.42 115.15 122.14 1f22 h HIS 17 Ca 0.20 -0.01 0.05 0.00 -2.20 0.00 0.00 60.37 58.40 1f22 h HIS 17 Cb 0.66 0.21 -0.06 0.00 1.55 0.00 0.00 27.41 29.77 1f22 h HIS 17 CO 0.76 -0.39 -0.35 -0.22 -1.30 0.00 0.00 177.93 176.43 1f22 h LYS 18 N -0.77 -0.41 -0.35 5.26 3.11 -1.00 0.20 116.57 122.61 1f22 h LYS 18 Ca -0.07 0.03 0.04 0.00 -2.81 0.00 0.00 60.65 57.84 1f22 h LYS 18 Cb 0.52 0.09 -0.07 0.00 -1.00 0.00 0.00 32.23 31.78 1f22 h LYS 18 CO 0.11 -0.27 -0.44 0.00 -2.81 0.00 0.00 179.45 176.04 1f22 h ALA 19 N 0.34 -0.66 -0.34 5.00 0.00 -1.75 0.39 119.26 122.23 1f22 h ALA 19 Ca 0.09 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1f22 h ALA 19 Cb 0.57 1.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.40 1f22 h ALA 19 CO -0.36 -0.88 0.15 0.45 0.00 0.00 0.00 179.25 178.61 1f22 h HIS 20 N -0.29 0.45 -0.59 0.00 3.86 -0.73 0.43 115.15 118.27 1f22 h HIS 20 Ca 0.06 -0.01 -0.06 0.00 -1.16 0.00 0.00 60.37 59.20 1f22 h HIS 20 Cb 0.46 -0.15 -0.03 0.00 1.06 0.00 0.00 27.41 28.75 1f22 h HIS 20 CO -0.72 0.35 0.12 0.00 0.86 0.00 0.00 177.93 178.54 1f22 h ALA 21 N 1.70 1.10 0.19 2.45 0.00 0.11 0.15 119.26 124.95 1f22 h ALA 21 Ca 0.12 -0.23 -0.25 0.00 0.00 0.00 0.00 54.91 54.55 1f22 h ALA 21 Cb 0.07 -0.23 0.03 0.00 0.00 0.00 0.00 17.79 17.65 1f22 h ALA 21 CO -0.02 0.60 -1.09 1.05 0.00 0.00 0.00 179.25 179.79 1f22 h GLU 22 N 0.89 0.41 0.05 0.00 4.11 0.39 -0.05 114.58 120.38 1f22 h GLU 22 Ca 0.19 -0.69 -0.00 0.00 0.07 0.00 0.00 59.36 58.92 1f22 h GLU 22 Cb 0.36 0.26 0.00 0.00 0.50 0.00 0.00 28.75 29.86 1f22 h GLU 22 CO 0.00 1.33 -0.02 0.87 0.07 0.00 0.00 179.01 181.26 1f22 h LYS 23 N -0.14 -0.06 0.00 1.06 1.79 -0.91 -3.40 116.57 114.91 1f22 h LYS 23 Ca -0.19 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.28 1f22 h LYS 23 Cb 1.86 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 32.52 1f22 h LYS 23 CO 0.21 0.32 -0.21 1.28 -1.08 0.00 0.00 179.45 179.97 1f22 n LEU 24 N -4.93 0.67 0.00 2.94 7.99 0.49 -5.08 117.00 119.08 1f22 n LEU 24 Ca -0.08 0.36 0.00 0.00 -0.01 0.00 0.00 56.01 56.28 1f22 n LEU 24 Cb 0.22 -0.63 0.00 0.00 -0.11 0.00 0.00 43.42 42.89 1f22 n LEU 24 CO 0.33 -0.48 0.00 0.61 -1.51 0.00 0.00 177.39 176.33 1f22 n GLY 25 N 1.68 -0.49 0.00 -0.72 0.00 -0.03 -4.96 105.19 100.67 1f22 n GLY 25 Ca -0.03 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 -0.28 0.00 5.75 -1.12 -0.72 116.55 120.11 1f22 n ASP 27 Ca 0.00 0.73 0.15 0.00 -0.01 0.00 0.00 54.79 55.65 1f22 n ASP 27 Cb 0.00 -0.26 0.29 0.00 -1.03 0.00 0.00 41.12 40.12 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 -3.53 0.50 0.00 2.12 0.00 -1.26 -3.40 120.51 114.94 1f22 n ALA 28 Ca 0.09 0.88 0.00 0.00 0.00 0.00 0.00 53.44 54.41 1f22 n ALA 28 Cb 0.30 -0.68 0.00 0.00 0.00 0.00 0.00 19.45 19.07 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 -1.84 2.80 0.00 0.00 3.76 0.10 -5.04 115.29 115.06 1f22 s HIS 30 Ca 0.00 -1.68 0.00 0.00 -0.15 0.00 0.00 55.06 53.23 1f22 s HIS 30 Cb 0.00 -1.92 0.00 0.00 1.11 0.00 0.00 32.58 31.77 1f22 s HIS 30 CO 0.00 -0.81 0.00 0.39 -0.85 0.00 0.00 174.74 173.47 1f22 n GLU 31 N 4.61 0.00 -0.29 1.40 1.02 -1.26 -2.78 120.64 123.34 1f22 n GLU 31 Ca -0.21 0.00 0.09 0.00 -0.02 0.00 0.00 57.16 57.02 1f22 n GLU 31 Cb 0.50 0.00 0.24 0.00 -0.02 0.00 0.00 31.44 32.16 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 1.40 -4.14 0.62 0.00 -1.98 -3.44 103.07 95.53 1f22 h GLY 32 Ca 0.00 -0.22 -0.05 0.00 0.00 0.00 0.00 47.33 47.06 1f22 h GLY 32 CO 0.00 -0.11 0.20 -1.08 0.00 0.00 0.00 176.54 175.56 1f22 s THR 33 N -5.95 0.00 0.35 4.70 -1.32 -1.26 -5.16 115.64 107.00 1f22 s THR 33 Ca -0.12 0.00 -0.26 0.00 -1.21 0.00 0.00 61.69 60.10 1f22 s THR 33 Cb 0.23 -1.00 -0.09 0.00 -1.51 0.00 0.00 72.50 70.12 1f22 s THR 33 CO 0.78 0.00 1.01 -2.16 -2.21 0.00 0.00 174.62 172.04 1f22 s PRO 34 N -1.00 4.42 -0.40 7.08 0.05 -1.26 -4.94 135.00 138.94 1f22 s PRO 34 Ca -0.09 1.48 0.07 0.00 0.05 0.00 0.00 61.00 62.52 1f22 s PRO 34 Cb -0.01 -2.76 0.33 0.00 0.05 0.00 0.00 34.50 32.12 1f22 s PRO 34 CO 0.08 0.09 1.28 0.00 0.05 0.00 0.00 177.00 178.50 1f22 n ALA 35 N 0.41 0.22 -1.09 8.56 0.00 -1.26 -5.12 120.51 122.22 1f22 n ALA 35 Ca 0.03 -1.17 0.14 0.00 0.00 0.00 0.00 53.44 52.43 1f22 n ALA 35 Cb 0.49 -1.11 -0.05 0.00 0.00 0.00 0.00 19.45 18.78 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 -0.37 -2.36 0.00 0.00 5.02 -1.26 -4.98 118.16 114.21 1f22 n LYS 36 Ca -0.05 1.74 0.00 0.00 -2.02 0.00 0.00 58.31 57.98 1f22 n LYS 36 Cb 0.79 -2.82 0.00 0.00 -0.02 0.00 0.00 35.03 32.99 1f22 n LYS 36 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 1f22 n ILE 37 N -3.83 0.00 -1.70 -0.18 -5.35 -1.26 -5.09 119.36 101.95 1f22 n ILE 37 Ca -0.03 -0.02 -0.01 0.00 -0.27 0.00 0.00 62.75 62.43 1f22 n ILE 37 Cb 0.51 1.03 0.00 0.00 -1.74 0.00 0.00 39.64 39.44 1f22 n ILE 37 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1f22 n ALA 38 N -0.04 -1.25 -2.37 -1.28 0.00 -1.26 -4.95 120.51 109.36 1f22 n ALA 38 Ca 0.00 0.01 -0.38 0.00 0.00 0.00 0.00 53.44 53.07 1f22 n ALA 38 Cb 0.01 -0.58 -0.03 0.00 0.00 0.00 0.00 19.45 18.84 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 -3.02 3.68 0.30 0.00 -1.09 -1.26 -4.80 121.20 115.01 1f22 s ILE 39 Ca 0.02 -0.18 0.09 0.00 -2.23 0.00 0.00 60.65 58.35 1f22 s ILE 39 Cb -0.00 -4.63 -0.04 0.00 -1.58 0.00 0.00 42.46 36.20 1f22 s ILE 39 CO 0.09 -1.56 0.08 -1.81 -1.23 0.00 0.00 174.94 170.51 1f22 s ASP 40 N 5.72 4.66 0.24 3.58 1.01 -1.26 -4.94 116.67 125.68 1f22 s ASP 40 Ca 0.51 -0.69 -0.05 0.00 0.71 0.00 0.00 52.55 53.03 1f22 s ASP 40 Cb -0.06 -0.82 0.44 0.00 1.01 0.00 0.00 42.92 43.49 1f22 s ASP 40 CO 0.04 -0.14 1.70 0.50 0.21 0.00 0.00 175.17 177.48 1f22 h LYS 41 N 1.70 0.32 -0.99 8.23 3.11 -1.97 0.26 116.57 127.25 1f22 h LYS 41 Ca -0.44 -0.02 0.26 0.00 -2.81 0.00 0.00 60.65 57.64 1f22 h LYS 41 Cb 1.25 -0.07 -0.06 0.00 -1.00 0.00 0.00 32.23 32.35 1f22 h LYS 41 CO 0.62 0.21 0.67 1.57 -2.81 0.00 0.00 179.45 179.72 1f22 h LYS 42 N 0.33 0.20 0.00 1.90 2.10 -1.96 0.47 116.57 119.62 1f22 h LYS 42 Ca 0.40 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 59.04 1f22 h LYS 42 Cb 0.65 -0.05 0.00 0.00 -0.90 0.00 0.00 32.23 31.94 1f22 h LYS 42 CO -0.45 0.14 -0.15 0.77 -2.00 0.00 0.00 179.45 177.75 1f22 h SER 43 N 0.21 0.00 -0.59 7.07 0.02 -0.96 -3.37 113.55 115.94 1f22 h SER 43 Ca 0.51 0.00 0.08 0.00 -0.84 0.00 0.00 61.79 61.54 1f22 h SER 43 Cb 1.61 0.00 -0.10 0.00 0.14 0.00 0.00 62.40 64.05 1f22 h SER 43 CO -0.13 0.31 -0.49 0.00 -1.14 0.00 0.00 176.83 175.38 1f22 h ALA 44 N -1.54 -0.47 0.00 3.77 0.00 -0.38 0.49 119.26 121.13 1f22 h ALA 44 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1f22 h ALA 44 Cb 0.15 1.06 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1f22 h ALA 44 CO 0.00 -0.90 0.00 0.45 0.00 0.00 0.00 179.25 178.80 1f22 h HIS 45 N -0.24 0.00 0.00 0.00 3.86 -1.14 0.82 115.15 118.45 1f22 h HIS 45 Ca 0.15 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.36 1f22 h HIS 45 Cb 0.56 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.03 1f22 h HIS 45 CO -0.76 0.00 0.00 1.17 0.86 0.00 0.00 177.93 179.20 1f22 n LYS 46 N -2.43 0.00 -2.95 2.45 0.00 -0.55 -4.77 118.16 109.91 1f22 n LYS 46 Ca 0.05 0.12 -0.15 0.00 0.00 0.00 0.00 58.31 58.33 1f22 n LYS 46 Cb 0.45 -0.50 -0.01 0.00 0.00 0.00 0.00 35.03 34.97 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 -1.60 -1.57 0.00 3.14 8.00 0.05 -4.62 116.55 119.95 1f22 n ASP 47 Ca 0.00 -3.02 0.00 0.00 0.71 0.00 0.00 54.79 52.48 1f22 n ASP 47 Cb 0.00 0.74 0.00 0.00 -0.02 0.00 0.00 41.12 41.84 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 1.61 1.37 0.26 2.24 0.00 -0.99 -4.84 120.51 120.17 1f22 n ALA 48 Ca 0.15 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.47 1f22 n ALA 48 Cb 0.58 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.97 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 -5.26 1.17 0.00 0.00 0.00 0.24 -3.38 118.16 110.94 1f22 n LYS 50 Ca -0.09 -0.33 0.00 0.00 0.00 0.00 0.00 58.31 57.88 1f22 n LYS 50 Cb 0.30 -1.13 0.00 0.00 0.00 0.00 0.00 35.03 34.20 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 1.23 0.00 -0.10 3.15 5.66 -1.25 -4.82 114.28 118.16 1f22 n THR 51 Ca 0.06 0.00 -0.06 0.00 -3.05 0.00 0.00 64.05 61.00 1f22 n THR 51 Cb 0.52 -0.32 0.01 0.00 -1.55 0.00 0.00 70.33 68.99 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 -5.11 0.00 -2.29 0.00 8.25 -1.24 -4.11 115.22 110.73 1f22 n HIS 53 Ca 0.01 -1.26 -0.32 0.00 -0.26 0.00 0.00 57.72 55.89 1f22 n HIS 53 Cb 0.16 -1.32 0.01 0.00 1.12 0.00 0.00 29.99 29.96 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 2.42 3.20 0.12 -0.41 4.01 -1.22 -4.75 118.16 121.53 1f22 n LYS 54 Ca 0.33 -4.16 0.00 0.00 -0.51 0.00 0.00 58.31 53.96 1f22 n LYS 54 Cb 0.76 -2.26 0.00 0.00 -0.51 0.00 0.00 35.03 33.02 1f22 n LYS 54 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 1f22 n SER 55 N -0.50 -2.09 -0.18 4.39 2.88 -1.26 -5.01 113.62 111.86 1f22 n SER 55 Ca 0.44 0.68 -0.01 0.00 -1.33 0.00 0.00 58.87 58.66 1f22 n SER 55 Cb 0.50 2.18 0.08 0.00 -0.75 0.00 0.00 64.21 66.22 1f22 n SER 55 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1f22 h ASN 56 N 0.00 -0.10 -4.25 -3.46 -1.07 -1.85 -3.42 115.58 101.43 1f22 h ASN 56 Ca 0.00 0.11 -0.38 0.00 0.07 0.00 0.00 56.30 56.10 1f22 h ASN 56 Cb 0.00 0.18 -0.19 0.00 -2.07 0.00 0.00 38.32 36.24 1f22 h ASN 56 CO 0.00 -0.03 -0.75 0.21 0.07 0.00 0.00 177.43 176.93 1f22 s ASN 57 N -5.28 1.74 0.23 6.14 2.47 -1.26 -5.13 114.94 113.85 1f22 s ASN 57 Ca -0.13 -0.77 -0.30 0.00 0.42 0.00 0.00 52.86 52.08 1f22 s ASN 57 Cb 0.17 -0.04 -0.09 0.00 -1.45 0.00 0.00 41.25 39.84 1f22 s ASN 57 CO 0.73 -0.17 1.27 -0.83 -3.72 0.00 0.00 177.10 174.38 1f22 s GLY 58 N -2.30 2.66 0.74 1.21 0.00 -1.26 -4.75 107.32 103.62 1f22 s GLY 58 Ca 0.05 1.10 -0.13 0.00 0.00 0.00 0.00 44.72 45.74 1f22 s GLY 58 CO 0.02 1.95 1.14 2.56 0.00 0.00 0.00 173.10 178.77 1f22 s PRO 59 N -0.61 2.22 -0.29 2.90 0.04 -1.26 -4.97 135.00 133.02 1f22 s PRO 59 Ca 0.53 1.47 0.14 0.00 0.04 0.00 0.00 61.00 63.18 1f22 s PRO 59 Cb -0.36 -1.87 0.39 0.00 0.04 0.00 0.00 34.50 32.69 1f22 s PRO 59 CO 0.41 -1.71 1.43 2.41 0.04 0.00 0.00 177.00 179.58 1f22 n THR 60 N -3.02 0.19 0.00 1.26 -1.04 -1.26 -5.05 114.28 105.36 1f22 n THR 60 Ca 0.11 -1.20 0.00 0.00 -2.04 0.00 0.00 64.05 60.93 1f22 n THR 60 Cb 0.52 1.00 0.00 0.00 -1.82 0.00 0.00 70.33 70.03 1f22 n THR 60 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1f22 n LYS 61 N -1.25 0.00 0.00 -2.82 5.02 -1.26 -4.63 118.16 113.22 1f22 n LYS 61 Ca -0.15 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.14 1f22 n LYS 61 Cb 0.86 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.87 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 3.82 1.59 0.31 0.00 0.00 -1.26 -4.75 105.19 104.90 1f22 n GLY 63 Ca 0.00 -0.11 0.19 0.00 0.00 0.00 0.00 46.02 46.10 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 -1.07 0.73 -0.02 0.00 -1.26 -3.86 105.19 99.71 1f22 n GLY 64 Ca 0.00 0.85 0.00 0.00 0.00 0.00 0.00 46.02 46.87 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 -1.90 3.43 -0.38 0.00 4.02 -1.25 -1.24 115.29 117.97 1f22 s HIS 66 Ca 0.00 1.28 -0.02 0.00 1.02 0.00 0.00 55.06 57.33 1f22 s HIS 66 Cb 0.00 -3.02 0.14 0.00 -1.02 0.00 0.00 32.58 28.68 1f22 s HIS 66 CO 0.00 -0.24 2.39 -0.89 1.02 0.00 0.00 174.74 177.02 1f22 n ILE 67 N 4.72 3.04 -0.07 0.60 -0.00 -1.14 -4.19 119.36 122.32 1f22 n ILE 67 Ca 0.05 -2.25 0.00 0.00 -0.00 0.00 0.00 62.75 60.54 1f22 n ILE 67 Cb 0.49 -1.46 0.00 0.00 -0.00 0.00 0.00 39.64 38.67 1f22 n ILE 67 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.55 177.72