#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r57 s SER 2 N 0.00 7.00 0.00 7.83 0.01 -1.26 -4.85 113.70 122.43 1r57 s SER 2 Ca 0.00 2.12 0.00 0.00 1.31 0.00 0.00 55.95 59.38 1r57 s SER 2 Cb 0.00 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.65 1r57 s SER 2 CO 0.00 -0.53 0.00 -0.46 0.41 0.00 0.00 173.24 172.66 1r57 n ASN 3 N 3.90 1.29 -4.50 2.44 0.23 -1.26 -4.95 115.26 112.41 1r57 n ASN 3 Ca 0.10 0.00 -0.43 0.00 -0.53 0.00 0.00 54.58 53.72 1r57 n ASN 3 Cb 0.45 0.15 -0.02 0.00 -2.08 0.00 0.00 39.78 38.28 1r57 n ASN 3 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 1r57 s LEU 4 N -1.63 4.43 0.10 -4.53 1.43 -1.26 -4.98 118.68 112.23 1r57 s LEU 4 Ca 0.00 -2.14 0.03 0.00 -1.03 0.00 0.00 54.13 50.99 1r57 s LEU 4 Cb 0.00 -2.48 -0.04 0.00 0.03 0.00 0.00 46.19 43.70 1r57 s LEU 4 CO 0.00 -1.14 0.14 -1.83 0.23 0.00 0.00 176.35 173.75 1r57 s GLU 5 N 3.35 3.06 -0.45 1.70 -1.05 -1.26 -5.08 118.70 118.97 1r57 s GLU 5 Ca 0.42 -0.66 -0.18 0.00 -0.15 0.00 0.00 54.97 54.40 1r57 s GLU 5 Cb -0.02 -2.80 0.04 0.00 -0.44 0.00 0.00 34.13 30.91 1r57 s GLU 5 CO -0.05 0.56 0.48 0.42 0.95 0.00 0.00 175.26 177.62 1r57 s ILE 6 N -1.51 5.05 0.01 1.83 1.01 -1.26 -4.40 121.20 121.93 1r57 s ILE 6 Ca 0.31 -0.48 -0.21 0.00 0.00 0.00 0.00 60.65 60.27 1r57 s ILE 6 Cb -0.12 -4.12 -0.05 0.00 0.01 0.00 0.00 42.46 38.18 1r57 s ILE 6 CO 0.24 -0.54 0.63 -0.54 0.00 0.00 0.00 174.94 174.72 1r57 s LYS 7 N 2.20 4.35 -0.07 2.79 1.02 -0.24 -4.88 119.74 124.91 1r57 s LYS 7 Ca 0.12 0.80 -0.10 0.00 0.02 0.00 0.00 55.97 56.80 1r57 s LYS 7 Cb -0.19 -3.34 -0.05 0.00 -0.52 0.00 0.00 37.83 33.74 1r57 s LYS 7 CO 0.12 0.37 0.26 1.14 -0.92 0.00 0.00 175.35 176.32 1r57 s GLN 8 N -0.22 3.65 0.00 1.68 0.00 -1.26 -0.66 119.66 122.85 1r57 s GLN 8 Ca 0.32 0.11 0.00 0.00 -0.00 0.00 0.00 55.36 55.79 1r57 s GLN 8 Cb -0.19 -3.20 0.00 0.00 0.00 0.00 0.00 33.01 29.62 1r57 s GLN 8 CO 0.18 0.74 0.00 0.41 0.00 0.00 0.00 175.29 176.62 1r57 n GLY 9 N 1.90 4.74 3.56 2.60 0.00 -0.12 -4.98 105.19 112.90 1r57 n GLY 9 Ca -0.17 -0.99 -0.16 0.00 0.00 0.00 0.00 46.02 44.70 1r57 n GLY 9 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1r57 s GLU 10 N 1.81 1.78 -1.47 1.61 2.02 -1.26 -2.85 118.70 120.33 1r57 s GLU 10 Ca 0.00 0.22 0.00 0.00 0.02 0.00 0.00 54.97 55.21 1r57 s GLU 10 Cb 0.00 -4.87 0.00 0.00 0.10 0.00 0.00 34.13 29.36 1r57 s GLU 10 CO 0.00 -4.31 0.00 0.09 0.02 0.00 0.00 175.26 171.06 1r57 n ASN 11 N 17.73 -4.55 -4.08 -0.19 5.03 -1.26 -4.91 115.26 123.03 1r57 n ASN 11 Ca 0.45 0.21 -0.11 0.00 0.87 0.00 0.00 54.58 55.99 1r57 n ASN 11 Cb 0.44 -3.93 -0.11 0.00 -1.02 0.00 0.00 39.78 35.17 1r57 n ASN 11 CO 0.00 0.00 0.00 -1.59 -1.83 0.00 0.00 177.26 173.84 1r57 s LYS 12 N -4.45 0.59 -0.18 3.52 -2.85 -1.13 -1.75 119.74 113.48 1r57 s LYS 12 Ca 0.00 -0.94 0.01 0.00 -1.00 0.00 0.00 55.97 54.04 1r57 s LYS 12 Cb 0.00 -0.17 0.03 0.00 -2.06 0.00 0.00 37.83 35.63 1r57 s LYS 12 CO 0.00 0.00 -0.14 -0.06 0.10 0.00 0.00 175.35 175.25 1r57 s PHE 13 N -2.23 2.50 -0.05 1.78 0.08 -0.39 -0.94 117.98 118.74 1r57 s PHE 13 Ca -0.03 -1.54 0.03 0.00 0.12 0.00 0.00 56.93 55.51 1r57 s PHE 13 Cb -0.04 -1.72 0.00 0.00 -0.57 0.00 0.00 43.02 40.68 1r57 s PHE 13 CO -0.02 -0.75 -0.15 1.52 -0.10 0.00 0.00 175.22 175.73 1r57 s TYR 14 N 1.38 1.51 -0.18 0.36 1.13 0.17 -1.21 117.35 120.51 1r57 s TYR 14 Ca 0.02 -0.46 -0.03 0.00 -1.41 0.00 0.00 57.07 55.19 1r57 s TYR 14 Cb -0.14 -1.05 -0.02 0.00 -1.10 0.00 0.00 41.96 39.65 1r57 s TYR 14 CO -0.10 -0.18 -0.04 0.42 -2.51 0.00 0.00 175.55 173.13 1r57 s ILE 15 N 0.21 3.63 -0.06 -3.49 1.01 0.82 -1.07 121.20 122.25 1r57 s ILE 15 Ca -0.06 -0.43 -0.31 0.00 0.00 0.00 0.00 60.65 59.84 1r57 s ILE 15 Cb -0.12 -2.61 0.13 0.00 0.01 0.00 0.00 42.46 39.87 1r57 s ILE 15 CO 0.02 0.46 1.36 -0.83 0.00 0.00 0.00 174.94 175.95 1r57 s GLY 16 N 0.83 -0.40 0.29 6.18 0.00 -1.26 -1.07 107.32 111.89 1r57 s GLY 16 Ca -0.01 0.67 0.15 0.00 0.00 0.00 0.00 44.72 45.53 1r57 s GLY 16 CO 0.02 1.46 1.54 -1.80 0.00 0.00 0.00 173.10 174.32 1r57 h ASP 17 N 2.00 0.00 -5.18 1.64 3.58 -1.94 -3.46 116.42 113.06 1r57 h ASP 17 Ca -0.30 0.00 -0.08 0.00 0.42 0.00 0.00 57.03 57.07 1r57 h ASP 17 Cb 1.19 0.00 -0.13 0.00 1.72 0.00 0.00 39.33 42.11 1r57 h ASP 17 CO 0.30 0.53 -0.29 -0.62 -2.88 0.00 0.00 179.24 176.27 1r57 s ASP 18 N -6.51 0.03 0.42 2.28 -1.08 -1.26 -4.96 116.67 105.59 1r57 s ASP 18 Ca 0.02 -0.67 0.08 0.00 -0.52 0.00 0.00 52.55 51.45 1r57 s ASP 18 Cb 0.10 0.40 0.88 0.00 -1.46 0.00 0.00 42.92 42.84 1r57 s ASP 18 CO 0.73 -0.82 2.06 -0.33 0.52 0.00 0.00 175.17 177.34 1r57 h GLU 19 N 2.60 0.51 0.00 4.34 5.08 -2.00 -0.28 114.58 124.84 1r57 h GLU 19 Ca -0.33 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 57.96 1r57 h GLU 19 Cb 1.22 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.35 1r57 h GLU 19 CO 0.51 0.34 -0.26 -0.91 -1.00 0.00 0.00 179.01 177.69 1r57 h ASN 20 N 0.52 0.00 -0.82 1.42 2.35 -1.99 -3.28 115.58 113.78 1r57 h ASN 20 Ca 0.14 0.00 -0.52 0.00 -0.55 0.00 0.00 56.30 55.38 1r57 h ASN 20 Cb -0.05 0.00 -0.28 0.00 0.05 0.00 0.00 38.32 38.04 1r57 h ASN 20 CO -0.03 0.18 0.33 0.59 -1.65 0.00 0.00 177.43 176.84 1r57 n ASN 21 N -3.11 5.21 -4.62 5.81 4.13 -0.18 -4.96 115.26 117.54 1r57 n ASN 21 Ca 0.03 -3.75 -0.43 0.00 1.68 0.00 0.00 54.58 52.11 1r57 n ASN 21 Cb 0.61 -0.76 -0.02 0.00 -1.54 0.00 0.00 39.78 38.06 1r57 n ASN 21 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1r57 s ALA 22 N -3.55 3.20 -1.72 5.41 0.00 -0.81 -2.99 121.76 121.29 1r57 s ALA 22 Ca 0.56 0.27 0.26 0.00 0.00 0.00 0.00 51.96 53.05 1r57 s ALA 22 Cb 0.46 -3.87 0.63 0.00 0.00 0.00 0.00 23.12 20.34 1r57 s ALA 22 CO 0.03 -2.08 1.49 1.28 0.00 0.00 0.00 175.76 176.48 1r57 n LEU 23 N 8.60 1.11 -3.15 0.00 4.77 -0.23 -4.74 117.00 123.36 1r57 n LEU 23 Ca 0.18 -0.31 0.04 0.00 -0.03 0.00 0.00 56.01 55.90 1r57 n LEU 23 Cb 0.46 -0.11 -0.01 0.00 -2.33 0.00 0.00 43.42 41.43 1r57 n LEU 23 CO 0.66 0.21 0.23 0.00 -1.33 0.00 0.00 177.39 177.15 1r57 s ALA 24 N -2.54 -2.47 0.06 -1.18 0.00 -0.98 -1.03 121.76 113.63 1r57 s ALA 24 Ca 0.22 1.74 0.03 0.00 0.00 0.00 0.00 51.96 53.95 1r57 s ALA 24 Cb 0.19 -2.25 -0.03 0.00 0.00 0.00 0.00 23.12 21.03 1r57 s ALA 24 CO 0.54 -1.39 -0.09 -1.83 0.00 0.00 0.00 175.76 173.00 1r57 s GLU 25 N 2.87 0.66 -0.04 0.00 4.04 -0.54 -0.13 118.70 125.57 1r57 s GLU 25 Ca 0.17 -0.95 0.02 0.00 0.04 0.00 0.00 54.97 54.25 1r57 s GLU 25 Cb -0.14 -0.37 0.02 0.00 0.02 0.00 0.00 34.13 33.66 1r57 s GLU 25 CO -0.20 0.06 -0.06 -1.50 -1.84 0.00 0.00 175.26 171.71 1r57 s ILE 26 N -1.96 0.66 -0.03 1.83 2.07 -0.35 -2.14 121.20 121.27 1r57 s ILE 26 Ca -0.03 -0.22 0.07 0.00 -1.41 0.00 0.00 60.65 59.06 1r57 s ILE 26 Cb -0.06 -0.64 -0.02 0.00 0.13 0.00 0.00 42.46 41.88 1r57 s ILE 26 CO -0.00 0.24 -0.24 0.42 -1.91 0.00 0.00 174.94 173.44 1r57 s THR 27 N 0.66 1.94 -0.03 4.00 -4.23 -0.10 -1.26 115.64 116.61 1r57 s THR 27 Ca -0.10 -1.04 -0.00 0.00 -1.18 0.00 0.00 61.69 59.38 1r57 s THR 27 Cb -0.13 -1.62 0.03 0.00 1.34 0.00 0.00 72.50 72.12 1r57 s THR 27 CO 0.01 0.55 0.02 -0.72 -0.54 0.00 0.00 174.62 173.93 1r57 s TYR 28 N -0.44 0.22 0.04 3.99 1.13 -0.72 -0.82 117.35 120.76 1r57 s TYR 28 Ca 0.05 0.06 0.06 0.00 -1.41 0.00 0.00 57.07 55.83 1r57 s TYR 28 Cb -0.11 -0.39 -0.03 0.00 -1.10 0.00 0.00 41.96 40.33 1r57 s TYR 28 CO 0.00 -0.14 -0.12 1.03 -2.51 0.00 0.00 175.55 173.82 1r57 s ARG 29 N 1.25 2.28 -0.66 -3.49 0.52 -0.01 -4.78 118.95 114.06 1r57 s ARG 29 Ca -0.07 -0.89 -0.27 0.00 -0.52 0.00 0.00 55.73 53.98 1r57 s ARG 29 Cb -0.13 -2.34 0.03 0.00 0.52 0.00 0.00 34.95 33.03 1r57 s ARG 29 CO -0.02 0.56 1.22 -0.06 0.02 0.00 0.00 175.30 177.01 1r57 s PHE 30 N -1.02 2.45 -0.11 -0.53 0.40 -1.26 -1.10 117.98 116.81 1r57 s PHE 30 Ca 0.17 0.14 0.15 0.00 -0.60 0.00 0.00 56.93 56.80 1r57 s PHE 30 Cb -0.11 -4.55 -0.08 0.00 0.51 0.00 0.00 43.02 38.79 1r57 s PHE 30 CO 0.08 -1.83 1.08 -0.39 0.70 0.00 0.00 175.22 174.87 1r57 h VAL 31 N 6.09 0.77 0.00 -0.44 -1.51 -1.80 -3.35 116.25 116.00 1r57 h VAL 31 Ca -0.27 -2.25 0.00 0.00 -1.23 0.00 0.00 66.70 62.95 1r57 h VAL 31 Cb 1.05 2.27 0.00 0.00 -2.13 0.00 0.00 31.29 32.49 1r57 h VAL 31 CO 1.23 0.44 0.00 -0.67 -1.23 0.00 0.00 177.57 177.34 1r57 n ASP 32 N -3.06 0.49 0.00 4.19 2.03 -0.88 -4.99 116.55 114.32 1r57 n ASP 32 Ca -0.05 -1.23 0.00 0.00 0.52 0.00 0.00 54.79 54.03 1r57 n ASP 32 Cb 0.82 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.22 1r57 n ASP 32 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1r57 n ASN 33 N -0.11 0.00 0.07 1.67 4.13 -1.26 -4.06 115.26 115.70 1r57 n ASN 33 Ca 0.00 0.00 -0.14 0.00 1.68 0.00 0.00 54.58 56.12 1r57 n ASN 33 Cb 0.40 0.00 -0.05 0.00 -1.54 0.00 0.00 39.78 38.59 1r57 n ASN 33 CO 0.00 0.00 0.00 -1.13 0.28 0.00 0.00 177.26 176.41 1r57 h ASN 34 N 0.00 0.57 -3.61 6.41 -0.73 -1.94 -3.42 115.58 112.86 1r57 h ASN 34 Ca 0.00 -0.46 -0.62 0.00 1.87 0.00 0.00 56.30 57.09 1r57 h ASN 34 Cb 0.00 -0.17 -0.13 0.00 0.27 0.00 0.00 38.32 38.28 1r57 h ASN 34 CO 0.00 1.26 -0.12 -1.61 -0.37 0.00 0.00 177.43 176.59 1r57 s GLU 35 N -3.25 4.07 -0.07 6.67 2.02 -1.26 -0.78 118.70 126.10 1r57 s GLU 35 Ca -0.06 0.22 0.01 0.00 0.02 0.00 0.00 54.97 55.15 1r57 s GLU 35 Cb 0.09 -3.63 -0.03 0.00 0.10 0.00 0.00 34.13 30.66 1r57 s GLU 35 CO 0.87 -0.27 -0.07 0.96 0.02 0.00 0.00 175.26 176.77 1r57 s ILE 36 N 2.04 3.66 -0.22 -1.63 -4.36 -0.11 -2.08 121.20 118.50 1r57 s ILE 36 Ca 0.19 -0.49 -0.02 0.00 -0.26 0.00 0.00 60.65 60.07 1r57 s ILE 36 Cb -0.16 -2.50 0.01 0.00 1.25 0.00 0.00 42.46 41.06 1r57 s ILE 36 CO 0.09 0.59 -0.08 0.21 0.24 0.00 0.00 174.94 175.99 1r57 s ASN 37 N -0.69 4.03 -0.58 4.36 2.47 -0.26 -1.61 114.94 122.67 1r57 s ASN 37 Ca 0.10 -0.55 -0.27 0.00 0.42 0.00 0.00 52.86 52.57 1r57 s ASN 37 Cb -0.11 -1.67 -0.01 0.00 -1.45 0.00 0.00 41.25 38.01 1r57 s ASN 37 CO 0.02 -0.04 1.76 -0.63 -3.72 0.00 0.00 177.10 174.49 1r57 s ILE 38 N 1.41 3.45 -0.11 -5.21 1.01 0.61 -0.83 121.20 121.52 1r57 s ILE 38 Ca 0.05 0.31 -0.05 0.00 0.00 0.00 0.00 60.65 60.96 1r57 s ILE 38 Cb -0.14 -4.02 -0.04 0.00 0.01 0.00 0.00 42.46 38.27 1r57 s ILE 38 CO -0.06 -0.93 0.06 -0.78 0.00 0.00 0.00 174.94 173.23 1r57 h ASP 39 N 13.92 0.00 -4.29 3.58 1.82 -1.31 0.35 116.42 130.50 1r57 h ASP 39 Ca -0.27 -0.12 -0.52 0.00 -0.39 0.00 0.00 57.03 55.73 1r57 h ASP 39 Cb 1.15 0.00 -0.28 0.00 0.68 0.00 0.00 39.33 40.88 1r57 h ASP 39 CO 1.19 0.61 -0.82 -2.28 -1.61 0.00 0.00 179.24 176.33 1r57 s HIS 40 N -1.74 1.47 -0.27 0.28 5.04 -1.24 -3.93 115.29 114.90 1r57 s HIS 40 Ca -0.05 -0.30 -0.01 0.00 -1.54 0.00 0.00 55.06 53.16 1r57 s HIS 40 Cb 0.00 -0.93 0.13 0.00 0.04 0.00 0.00 32.58 31.83 1r57 s HIS 40 CO 0.12 -0.00 0.30 0.99 -2.34 0.00 0.00 174.74 173.81 1r57 s THR 41 N -0.50 -0.43 -0.37 0.89 2.01 -1.26 -0.93 115.64 115.04 1r57 s THR 41 Ca 0.06 -0.37 -0.06 0.00 0.31 0.00 0.00 61.69 61.63 1r57 s THR 41 Cb -0.07 -0.92 0.07 0.00 0.01 0.00 0.00 72.50 71.59 1r57 s THR 41 CO -0.00 -0.37 0.16 -0.83 -0.69 0.00 0.00 174.62 172.89 1r57 s GLY 42 N 2.39 1.90 -0.10 4.40 0.00 -0.91 -4.95 107.32 110.05 1r57 s GLY 42 Ca 0.09 -2.02 0.02 0.00 0.00 0.00 0.00 44.72 42.81 1r57 s GLY 42 CO -0.28 0.87 -0.15 0.14 0.00 0.00 0.00 173.10 173.68 1r57 s VAL 43 N 1.35 1.47 0.22 1.40 1.01 -1.26 -1.47 120.40 123.12 1r57 s VAL 43 Ca 0.01 -0.64 -0.30 0.00 0.00 0.00 0.00 61.98 61.05 1r57 s VAL 43 Cb -0.21 -1.34 -0.10 0.00 0.00 0.00 0.00 36.38 34.73 1r57 s VAL 43 CO 0.01 0.43 1.48 -0.94 0.00 0.00 0.00 175.10 176.08 1r57 s SER 44 N 0.88 6.63 -0.19 3.32 1.04 -0.20 -4.89 113.70 120.29 1r57 s SER 44 Ca -0.09 2.65 0.03 0.00 0.48 0.00 0.00 55.95 59.02 1r57 s SER 44 Cb -0.15 -2.61 0.31 0.00 0.10 0.00 0.00 66.02 63.67 1r57 s SER 44 CO 0.00 -0.74 1.35 -0.67 0.98 0.00 0.00 173.24 174.16 1r57 n ASP 45 N 2.83 3.30 0.22 7.02 2.03 -1.26 -4.44 116.55 126.25 1r57 n ASP 45 Ca 0.09 -2.67 -0.16 0.00 0.52 0.00 0.00 54.79 52.57 1r57 n ASP 45 Cb 0.40 -0.64 -0.09 0.00 -0.72 0.00 0.00 41.12 40.07 1r57 n ASP 45 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 1r57 h GLU 46 N 0.69 -0.80 0.12 -0.67 4.39 -1.98 -3.00 114.58 113.32 1r57 h GLU 46 Ca 0.24 0.05 -0.30 0.00 0.34 0.00 0.00 59.36 59.69 1r57 h GLU 46 Cb 1.72 0.18 -0.00 0.00 -0.10 0.00 0.00 28.75 30.55 1r57 h GLU 46 CO 0.45 -0.53 -1.46 -0.07 -1.16 0.00 0.00 179.01 176.24 1r57 h LEU 47 N -0.83 0.40 0.00 1.33 3.38 -1.99 -3.47 115.31 114.12 1r57 h LEU 47 Ca -0.04 -0.52 0.00 0.00 0.09 0.00 0.00 57.88 57.41 1r57 h LEU 47 Cb 0.74 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.36 1r57 h LEU 47 CO -0.10 1.42 0.00 0.61 0.09 0.00 0.00 178.44 180.46 1r57 n GLY 48 N 1.63 0.95 0.30 0.83 0.00 -1.14 -0.81 105.19 106.96 1r57 n GLY 48 Ca -0.14 0.62 0.17 0.00 0.00 0.00 0.00 46.02 46.67 1r57 n GLY 48 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1r57 h GLY 49 N 0.00 0.00 2.00 -0.02 0.00 -1.91 0.69 103.07 103.83 1r57 h GLY 49 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 1r57 h GLY 49 CO 0.00 0.00 -0.16 1.46 0.00 0.00 0.00 176.54 177.84 1r57 h GLN 50 N 0.00 0.00 0.00 4.80 4.20 -1.36 -3.47 115.11 119.28 1r57 h GLN 50 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1r57 h GLN 50 Cb 0.07 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.85 1r57 h GLN 50 CO 0.00 0.16 0.00 0.41 -0.67 0.00 0.00 178.83 178.73 1r57 n GLY 51 N -0.75 0.69 0.11 3.46 0.00 0.23 -4.97 105.19 103.96 1r57 n GLY 51 Ca -0.02 -0.71 -0.20 0.00 0.00 0.00 0.00 46.02 45.10 1r57 n GLY 51 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1r57 h VAL 52 N 0.00 1.32 0.00 1.61 2.07 -1.88 -3.29 116.25 116.09 1r57 h VAL 52 Ca 0.00 -2.41 -0.02 0.00 0.82 0.00 0.00 66.70 65.09 1r57 h VAL 52 Cb 0.00 2.95 -0.00 0.00 -1.52 0.00 0.00 31.29 32.71 1r57 h VAL 52 CO 0.00 0.64 -0.09 1.23 0.02 0.00 0.00 177.57 179.37 1r57 h GLY 53 N -0.41 0.00 1.15 2.17 0.00 -1.93 -1.71 103.07 102.34 1r57 h GLY 53 Ca -0.20 0.00 0.04 0.00 0.00 0.00 0.00 47.33 47.17 1r57 h GLY 53 CO 0.04 0.00 0.47 1.70 0.00 0.00 0.00 176.54 178.76 1r57 h LYS 54 N 0.00 0.82 0.33 4.80 1.63 -1.91 0.28 116.57 122.52 1r57 h LYS 54 Ca -0.00 -0.05 -0.02 0.00 -0.85 0.00 0.00 60.65 59.73 1r57 h LYS 54 Cb 0.25 -0.19 0.00 0.00 -0.60 0.00 0.00 32.23 31.70 1r57 h LYS 54 CO 0.01 0.55 -0.16 -0.22 -3.45 0.00 0.00 179.45 176.18 1r57 h LYS 55 N 0.85 -0.43 -0.20 1.90 1.63 -1.38 -2.07 116.57 116.86 1r57 h LYS 55 Ca 0.29 0.03 -0.00 0.00 -0.85 0.00 0.00 60.65 60.12 1r57 h LYS 55 Cb 0.10 0.10 -0.01 0.00 -0.60 0.00 0.00 32.23 31.81 1r57 h LYS 55 CO -0.09 -0.14 0.12 -0.07 -3.45 0.00 0.00 179.45 175.82 1r57 h LEU 56 N -1.00 0.24 -0.97 5.20 3.38 -1.39 -2.75 115.31 118.02 1r57 h LEU 56 Ca -0.05 -0.06 -0.07 0.00 0.09 0.00 0.00 57.88 57.80 1r57 h LEU 56 Cb 0.49 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 1r57 h LEU 56 CO 0.07 0.23 -0.31 0.25 0.09 0.00 0.00 178.44 178.77 1r57 h LEU 57 N 0.23 0.00 0.06 1.67 5.85 -0.57 -2.80 115.31 119.76 1r57 h LEU 57 Ca 0.07 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.80 1r57 h LEU 57 Cb 0.03 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.05 1r57 h LEU 57 CO -0.01 0.31 -0.09 0.50 -0.34 0.00 0.00 178.44 178.81 1r57 h LYS 58 N 0.00 -0.18 -0.53 1.25 3.64 -1.07 0.12 116.57 119.81 1r57 h LYS 58 Ca -0.00 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1r57 h LYS 58 Cb 0.85 0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.69 1r57 h LYS 58 CO 0.04 -0.12 0.32 0.00 -2.27 0.00 0.00 179.45 177.42 1r57 h ALA 59 N 0.74 1.58 -0.04 5.00 0.00 -1.40 0.19 119.26 125.33 1r57 h ALA 59 Ca 0.02 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1r57 h ALA 59 Cb 0.20 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 1r57 h ALA 59 CO -0.05 0.37 0.01 0.28 0.00 0.00 0.00 179.25 179.86 1r57 h VAL 60 N 0.72 1.21 -0.59 0.00 2.07 -1.16 -0.31 116.25 118.20 1r57 h VAL 60 Ca 0.19 -0.64 -0.04 0.00 0.82 0.00 0.00 66.70 67.02 1r57 h VAL 60 Cb -0.04 1.58 -0.03 0.00 -1.52 0.00 0.00 31.29 31.29 1r57 h VAL 60 CO -0.04 0.17 0.20 0.58 0.02 0.00 0.00 177.57 178.51 1r57 h VAL 61 N -0.19 1.24 -0.26 2.57 2.07 -0.25 0.17 116.25 121.59 1r57 h VAL 61 Ca 0.01 -0.79 -0.00 0.00 0.82 0.00 0.00 66.70 66.74 1r57 h VAL 61 Cb 0.27 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 30.67 1r57 h VAL 61 CO 0.00 0.30 0.15 -0.33 0.02 0.00 0.00 177.57 177.71 1r57 h GLU 62 N 0.83 0.35 -0.06 1.57 5.08 -0.61 -0.80 114.58 120.94 1r57 h GLU 62 Ca 0.19 -0.04 -0.12 0.00 -1.00 0.00 0.00 59.36 58.40 1r57 h GLU 62 Cb 0.26 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 1r57 h GLU 62 CO -0.01 0.30 -0.51 1.25 -1.00 0.00 0.00 179.01 179.04 1r57 h HIS 63 N 0.31 0.19 -0.27 4.33 2.76 -0.87 -2.31 115.15 119.30 1r57 h HIS 63 Ca 0.09 -0.06 -0.00 0.00 -2.20 0.00 0.00 60.37 58.20 1r57 h HIS 63 Cb 0.04 -0.04 -0.01 0.00 1.55 0.00 0.00 27.41 28.95 1r57 h HIS 63 CO -0.04 0.64 0.16 0.00 -1.30 0.00 0.00 177.93 177.39 1r57 h ALA 64 N 1.35 0.35 -0.66 5.26 0.00 -0.33 -2.52 119.26 122.71 1r57 h ALA 64 Ca 0.00 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1r57 h ALA 64 Cb 0.94 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.59 1r57 h ALA 64 CO 0.07 -0.14 0.41 0.00 0.00 0.00 0.00 179.25 179.59 1r57 h ARG 65 N 0.34 0.88 -0.98 0.00 3.08 -0.88 0.32 114.38 117.14 1r57 h ARG 65 Ca 0.10 -0.07 0.05 0.00 0.07 0.00 0.00 59.98 60.13 1r57 h ARG 65 Cb 0.03 -0.19 -0.06 0.00 0.08 0.00 0.00 29.97 29.83 1r57 h ARG 65 CO -0.02 0.61 0.64 0.93 -1.07 0.00 0.00 179.97 181.06 1r57 h GLU 66 N 0.90 1.15 -0.34 0.04 5.08 -1.00 -2.89 114.58 117.52 1r57 h GLU 66 Ca 0.24 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 1r57 h GLU 66 Cb -0.06 -0.26 0.00 0.00 0.50 0.00 0.00 28.75 28.93 1r57 h GLU 66 CO -0.05 0.76 0.00 0.09 -1.00 0.00 0.00 179.01 178.82 1r57 n ASN 67 N -4.47 3.01 -3.80 1.42 3.02 -0.82 -4.97 115.26 108.65 1r57 n ASN 67 Ca 0.14 -2.09 -0.27 0.00 -0.03 0.00 0.00 54.58 52.34 1r57 n ASN 67 Cb 0.14 -0.26 0.04 0.00 -0.61 0.00 0.00 39.78 39.09 1r57 n ASN 67 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1r57 n ASN 68 N 0.42 -3.98 -4.79 6.41 3.02 0.68 -4.94 115.26 112.08 1r57 n ASN 68 Ca 0.12 -0.75 -0.38 0.00 -0.03 0.00 0.00 54.58 53.54 1r57 n ASN 68 Cb 0.47 -4.12 -0.06 0.00 -0.61 0.00 0.00 39.78 35.45 1r57 n ASN 68 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1r57 s LEU 69 N -7.10 4.46 -0.25 3.41 1.43 0.78 -4.94 118.68 116.48 1r57 s LEU 69 Ca 0.46 1.63 -0.19 0.00 -1.03 0.00 0.00 54.13 55.00 1r57 s LEU 69 Cb -0.23 -3.55 -0.02 0.00 0.03 0.00 0.00 46.19 42.42 1r57 s LEU 69 CO 0.81 0.09 0.57 -0.54 0.23 0.00 0.00 176.35 177.51 1r57 s LYS 70 N -1.61 4.10 -0.26 1.70 -0.14 0.04 -4.73 119.74 118.85 1r57 s LYS 70 Ca 0.41 0.44 -0.16 0.00 -1.36 0.00 0.00 55.97 55.30 1r57 s LYS 70 Cb -0.20 -3.64 -0.03 0.00 -1.68 0.00 0.00 37.83 32.27 1r57 s LYS 70 CO 0.24 -0.36 0.44 0.42 -0.76 0.00 0.00 175.35 175.34 1r57 s ILE 71 N 2.33 5.12 0.19 2.17 1.01 -0.65 -0.93 121.20 130.44 1r57 s ILE 71 Ca 0.24 0.72 0.08 0.00 0.00 0.00 0.00 60.65 61.69 1r57 s ILE 71 Cb -0.16 -3.76 -0.05 0.00 0.01 0.00 0.00 42.46 38.51 1r57 s ILE 71 CO 0.09 0.12 -0.15 0.27 0.00 0.00 0.00 174.94 175.28 1r57 s ILE 72 N 2.17 1.71 -0.01 2.92 -4.36 -0.64 -3.40 121.20 119.60 1r57 s ILE 72 Ca 0.18 -2.14 0.01 0.00 -0.26 0.00 0.00 60.65 58.44 1r57 s ILE 72 Cb -0.16 -1.98 0.01 0.00 1.25 0.00 0.00 42.46 41.58 1r57 s ILE 72 CO 0.09 -0.55 -0.02 0.00 0.24 0.00 0.00 174.94 174.70 1r57 s ALA 73 N -2.80 0.27 -0.05 2.27 0.00 -1.26 -0.28 121.76 119.91 1r57 s ALA 73 Ca 0.21 -0.03 0.10 0.00 0.00 0.00 0.00 51.96 52.23 1r57 s ALA 73 Cb -0.02 -0.15 -0.23 0.00 0.00 0.00 0.00 23.12 22.72 1r57 s ALA 73 CO 0.06 0.02 0.62 0.43 0.00 0.00 0.00 175.76 176.90 1r57 n SER 74 N 3.37 1.03 -4.68 0.00 7.64 0.12 -4.69 113.62 116.41 1r57 n SER 74 Ca -0.17 0.39 -0.42 0.00 1.01 0.00 0.00 58.87 59.67 1r57 n SER 74 Cb 0.56 -0.16 -0.03 0.00 -1.01 0.00 0.00 64.21 63.57 1r57 n SER 74 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1r57 h SER 76 N 7.69 0.92 -0.39 0.00 0.02 -1.96 0.11 113.55 119.93 1r57 h SER 76 Ca -0.32 0.01 0.05 0.00 -0.84 0.00 0.00 61.79 60.70 1r57 h SER 76 Cb 1.14 -0.19 -0.05 0.00 0.14 0.00 0.00 62.40 63.45 1r57 h SER 76 CO 0.91 0.58 0.11 0.15 -1.14 0.00 0.00 176.83 177.44 1r57 h PHE 77 N 1.03 0.19 0.16 3.45 3.57 -1.94 0.80 116.94 124.21 1r57 h PHE 77 Ca 0.40 0.02 -0.28 0.00 3.53 0.00 0.00 57.97 61.65 1r57 h PHE 77 Cb 0.22 -0.03 0.03 0.00 2.79 0.00 0.00 35.95 38.97 1r57 h PHE 77 CO -0.00 0.05 -1.18 0.00 -2.23 0.00 0.00 178.31 174.96 1r57 h ALA 78 N 1.28 -0.08 0.10 2.41 0.00 -1.78 -3.15 119.26 118.04 1r57 h ALA 78 Ca 0.19 -0.77 -0.00 0.00 0.00 0.00 0.00 54.91 54.33 1r57 h ALA 78 Cb 0.20 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 1r57 h ALA 78 CO -0.22 0.59 -0.07 -0.22 0.00 0.00 0.00 179.25 179.33 1r57 h LYS 79 N 0.05 -0.17 0.00 0.00 3.64 -0.61 -2.29 116.57 117.20 1r57 h LYS 79 Ca -0.19 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.20 1r57 h LYS 79 Cb 1.89 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.75 1r57 h LYS 79 CO 0.22 -0.11 0.00 1.25 -2.27 0.00 0.00 179.45 178.54 1r57 h HIS 80 N -0.17 0.00 -0.27 1.91 2.76 -0.98 -1.87 115.15 116.53 1r57 h HIS 80 Ca -0.01 0.00 -0.14 0.00 -2.20 0.00 0.00 60.37 58.03 1r57 h HIS 80 Cb 0.15 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.11 1r57 h HIS 80 CO -0.09 0.00 -0.36 1.98 -1.30 0.00 0.00 177.93 178.16 1r57 h MET 81 N 0.00 0.72 -0.88 5.26 1.85 -1.43 -2.41 114.93 118.05 1r57 h MET 81 Ca 0.00 -0.41 0.04 0.00 -0.61 0.00 0.00 59.70 58.71 1r57 h MET 81 Cb 0.60 0.03 -0.05 0.00 0.43 0.00 0.00 31.60 32.61 1r57 h MET 81 CO 0.00 1.04 0.58 -0.07 -0.40 0.00 0.00 176.91 178.05 1r57 h LEU 82 N 0.46 0.94 -0.79 3.39 3.38 -0.79 -1.60 115.31 120.30 1r57 h LEU 82 Ca 0.03 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 1r57 h LEU 82 Cb 0.95 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.47 1r57 h LEU 82 CO 0.08 0.65 -0.17 -0.33 0.09 0.00 0.00 178.44 178.76 1r57 h GLU 83 N 1.09 0.00 0.13 1.13 5.08 -1.37 -3.27 114.58 117.37 1r57 h GLU 83 Ca 0.35 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.54 1r57 h GLU 83 Cb 0.03 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.30 1r57 h GLU 83 CO -0.11 0.17 -0.76 -0.22 -1.00 0.00 0.00 179.01 177.10 1r57 h LYS 84 N 0.00 0.27 -6.24 2.33 3.64 -0.77 -3.47 116.57 112.34 1r57 h LYS 84 Ca -0.00 -0.47 -0.67 0.00 -1.27 0.00 0.00 60.65 58.24 1r57 h LYS 84 Cb 0.84 0.17 -0.16 0.00 -0.41 0.00 0.00 32.23 32.68 1r57 h LYS 84 CO 0.02 1.22 -0.68 -2.00 -2.27 0.00 0.00 179.45 175.75 1r57 s GLU 85 N -2.41 2.64 0.35 1.90 2.12 -1.12 -5.01 118.70 117.18 1r57 s GLU 85 Ca -0.14 -0.68 0.03 0.00 0.36 0.00 0.00 54.97 54.54 1r57 s GLU 85 Cb 0.01 -2.57 0.67 0.00 0.26 0.00 0.00 34.13 32.49 1r57 s GLU 85 CO 0.82 0.61 1.99 0.22 -0.54 0.00 0.00 175.26 178.35 1r57 h ASP 86 N 4.41 0.72 -0.86 -1.70 1.82 -1.90 -2.79 116.42 116.11 1r57 h ASP 86 Ca -0.49 -0.01 0.06 0.00 -0.39 0.00 0.00 57.03 56.21 1r57 h ASP 86 Cb 1.17 -0.17 -0.06 0.00 0.68 0.00 0.00 39.33 40.95 1r57 h ASP 86 CO 0.55 0.50 0.54 0.77 -1.61 0.00 0.00 179.24 179.98 1r57 h SER 87 N 0.83 0.84 0.86 2.28 4.64 -1.95 -2.31 113.55 118.75 1r57 h SER 87 Ca 0.27 0.02 -0.23 0.00 -0.47 0.00 0.00 61.79 61.38 1r57 h SER 87 Cb 0.05 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 61.96 1r57 h SER 87 CO -0.08 0.53 -1.13 1.88 -0.87 0.00 0.00 176.83 177.17 1r57 h TYR 88 N 0.97 0.11 -0.13 4.77 0.05 -1.74 -3.26 116.97 117.74 1r57 h TYR 88 Ca 0.38 -0.08 0.04 0.00 0.05 0.00 0.00 58.73 59.12 1r57 h TYR 88 Cb 0.18 -0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.91 1r57 h TYR 88 CO -0.03 1.07 0.15 0.37 -1.05 0.00 0.00 178.16 178.67 1r57 h GLN 89 N 0.02 0.00 -0.86 4.88 4.15 -1.21 -2.07 115.11 120.01 1r57 h GLN 89 Ca -0.07 0.00 0.11 0.00 0.77 0.00 0.00 58.65 59.46 1r57 h GLN 89 Cb 1.84 0.00 -0.06 0.00 0.21 0.00 0.00 27.48 29.47 1r57 h GLN 89 CO 0.14 0.00 0.56 0.22 -1.93 0.00 0.00 178.83 177.82 1r57 h ASP 90 N 0.00 0.71 0.00 -0.69 3.58 -1.59 -2.75 116.42 115.68 1r57 h ASP 90 Ca 0.06 0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.54 1r57 h ASP 90 Cb 0.37 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 41.30 1r57 h ASP 90 CO -0.00 0.41 -0.00 1.33 -2.88 0.00 0.00 179.24 178.09 1r57 n VAL 91 N -4.53 1.01 -3.55 2.25 0.24 -0.83 -5.01 118.33 107.89 1r57 n VAL 91 Ca 0.15 -1.04 -0.37 0.00 -2.04 0.00 0.00 64.34 61.04 1r57 n VAL 91 Cb 0.36 0.46 -0.06 0.00 -1.47 0.00 0.00 33.84 33.13 1r57 n VAL 91 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 1r57 s TYR 92 N -1.10 3.58 0.00 6.34 5.04 -0.87 -1.64 117.35 128.69 1r57 s TYR 92 Ca 0.03 0.75 0.00 0.00 -2.44 0.00 0.00 57.07 55.42 1r57 s TYR 92 Cb 0.03 -2.28 0.00 0.00 0.35 0.00 0.00 41.96 40.05 1r57 s TYR 92 CO 0.00 0.45 0.17 1.28 -1.34 0.00 0.00 175.55 176.11 1r57 n LEU 93 N 2.73 0.33 0.00 6.97 4.77 -1.22 -4.89 117.00 125.69 1r57 n LEU 93 Ca -0.13 0.52 0.00 0.00 -0.03 0.00 0.00 56.01 56.37 1r57 n LEU 93 Cb 0.52 -0.43 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 1r57 n LEU 93 CO 0.38 -0.43 0.00 0.61 -1.33 0.00 0.00 177.39 176.62 1r57 n GLY 94 N 1.54 1.57 3.81 -0.72 0.00 -1.26 -4.93 105.19 105.20 1r57 n GLY 94 Ca 0.00 -0.04 -0.33 0.00 0.00 0.00 0.00 46.02 45.64 1r57 n GLY 94 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1r57 s LEU 95 N 0.00 3.75 0.10 0.99 1.43 -1.26 -5.05 118.68 118.64 1r57 s LEU 95 Ca 0.00 1.80 -0.07 0.00 -1.03 0.00 0.00 54.13 54.83 1r57 s LEU 95 Cb 0.00 -4.54 -0.06 0.00 0.03 0.00 0.00 46.19 41.62 1r57 s LEU 95 CO 0.00 -0.75 0.37 -1.61 0.23 0.00 0.00 176.35 174.59 1r57 s GLU 96 N -3.53 3.67 0.05 1.70 2.02 -1.26 -5.05 118.70 116.29 1r57 s GLU 96 Ca 0.64 0.03 -0.30 0.00 0.02 0.00 0.00 54.97 55.35 1r57 s GLU 96 Cb -0.14 -2.94 -0.08 0.00 0.10 0.00 0.00 34.13 31.08 1r57 s GLU 96 CO 0.24 0.53 1.61 -1.58 0.02 0.00 0.00 175.26 176.08 1r57 s HIS 97 N -1.50 2.46 0.24 1.61 5.65 -1.26 -4.91 115.29 117.58 1r57 s HIS 97 Ca 0.36 0.40 -0.31 0.00 0.25 0.00 0.00 55.06 55.76 1r57 s HIS 97 Cb -0.13 -3.90 -0.12 0.00 -1.18 0.00 0.00 32.58 27.25 1r57 s HIS 97 CO 0.21 -3.60 1.66 -1.01 -0.65 0.00 0.00 174.74 171.34 1r57 s HIS 98 N 2.72 2.85 -0.04 3.88 0.09 -1.26 -4.90 115.29 118.63 1r57 s HIS 98 Ca 0.72 0.55 0.05 0.00 -0.00 0.00 0.00 55.06 56.38 1r57 s HIS 98 Cb -0.38 -4.10 -0.24 0.00 -0.00 0.00 0.00 32.58 27.86 1r57 s HIS 98 CO 0.31 -3.95 0.67 1.25 -0.00 0.00 0.00 174.74 173.02 1r57 h HIS 99 N 5.95 0.18 0.00 1.40 6.17 -2.01 -3.48 115.15 123.37 1r57 h HIS 99 Ca -0.45 -0.13 0.00 0.00 0.71 0.00 0.00 60.37 60.50 1r57 h HIS 99 Cb 1.21 -0.01 0.00 0.00 2.52 0.00 0.00 27.41 31.13 1r57 h HIS 99 CO 0.62 1.24 0.00 0.72 0.71 0.00 0.00 177.93 181.22 1r57 n HIS 100 N -3.23 0.00 -1.64 5.26 8.25 -1.26 -4.75 115.22 117.85 1r57 n HIS 100 Ca -0.19 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.27 1r57 n HIS 100 Cb 1.04 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.15 1r57 n HIS 100 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1r57 n HIS 101 N 0.00 -0.63 0.32 4.41 8.25 -1.26 -5.34 115.22 120.96 1r57 n HIS 101 Ca 0.00 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.50 1r57 n HIS 101 Cb 0.00 0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.14 1r57 n HIS 101 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70