#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r57 n SER 2 N 0.00 0.00 -0.01 7.83 7.64 -1.26 -3.08 113.62 124.74 1r57 n SER 2 Ca 0.00 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 59.87 1r57 n SER 2 Cb 0.00 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.19 1r57 n SER 2 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1r57 n ASN 3 N 2.21 4.22 -4.26 6.43 4.13 -1.26 -4.92 115.26 121.81 1r57 n ASN 3 Ca 0.00 -0.01 -0.44 0.00 1.68 0.00 0.00 54.58 55.82 1r57 n ASN 3 Cb 0.00 0.25 -0.04 0.00 -1.54 0.00 0.00 39.78 38.44 1r57 n ASN 3 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 1r57 s LEU 4 N -4.63 6.27 0.00 3.41 0.20 -1.18 -3.78 118.68 118.98 1r57 s LEU 4 Ca -0.02 -2.70 -0.19 0.00 0.69 0.00 0.00 54.13 51.92 1r57 s LEU 4 Cb 0.01 -2.10 0.06 0.00 -0.43 0.00 0.00 46.19 43.73 1r57 s LEU 4 CO 0.05 -0.52 0.88 -1.84 -0.29 0.00 0.00 176.35 174.63 1r57 n GLU 5 N 3.89 0.36 -2.80 1.98 0.00 -1.26 -1.49 120.64 121.31 1r57 n GLU 5 Ca 0.11 -0.93 -0.43 0.00 0.00 0.00 0.00 57.16 55.91 1r57 n GLU 5 Cb 0.44 1.33 -0.03 0.00 0.00 0.00 0.00 31.44 33.18 1r57 n GLU 5 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 1r57 s ILE 6 N -2.12 4.31 0.56 3.84 1.01 -1.26 -4.25 121.20 123.29 1r57 s ILE 6 Ca 0.20 -0.68 -0.14 0.00 0.00 0.00 0.00 60.65 60.04 1r57 s ILE 6 Cb -0.02 -4.79 -0.06 0.00 0.01 0.00 0.00 42.46 37.60 1r57 s ILE 6 CO 0.02 -1.59 1.00 -0.54 0.00 0.00 0.00 174.94 173.84 1r57 s LYS 7 N 4.00 3.80 0.05 2.79 1.02 0.21 -4.87 119.74 126.75 1r57 s LYS 7 Ca 0.30 0.86 0.05 0.00 0.02 0.00 0.00 55.97 57.21 1r57 s LYS 7 Cb -0.10 -2.11 -0.04 0.00 -0.52 0.00 0.00 37.83 35.06 1r57 s LYS 7 CO 0.02 -0.40 -0.09 1.14 -0.92 0.00 0.00 175.35 175.10 1r57 s GLN 8 N -4.54 2.32 0.15 1.68 -2.07 -1.26 -0.57 119.66 115.36 1r57 s GLN 8 Ca 0.57 -0.88 0.03 0.00 -1.82 0.00 0.00 55.36 53.26 1r57 s GLN 8 Cb -0.10 -2.38 -0.01 0.00 -1.09 0.00 0.00 33.01 29.43 1r57 s GLN 8 CO 0.41 0.55 0.10 0.41 -1.32 0.00 0.00 175.29 175.44 1r57 n GLY 9 N 1.20 3.63 3.58 2.60 0.00 0.91 -4.92 105.19 112.19 1r57 n GLY 9 Ca -0.15 -1.86 -0.41 0.00 0.00 0.00 0.00 46.02 43.61 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 -2.61 3.05 -1.51 1.61 0.41 -1.26 -2.81 118.70 115.57 1r57 s GLU 10 Ca 0.14 0.98 -0.00 0.00 -0.41 0.00 0.00 54.97 55.67 1r57 s GLU 10 Cb 0.01 -4.26 0.00 0.00 -1.78 0.00 0.00 34.13 28.10 1r57 s GLU 10 CO 0.10 -2.22 0.02 0.09 -0.49 0.00 0.00 175.26 172.76 1r57 n ASN 11 N 11.19 -5.20 -3.67 -0.19 5.03 -1.26 -4.97 115.26 116.19 1r57 n ASN 11 Ca 0.21 -0.03 -0.09 0.00 0.87 0.00 0.00 54.58 55.54 1r57 n ASN 11 Cb 0.49 -4.27 -0.02 0.00 -1.02 0.00 0.00 39.78 34.96 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 -4.91 1.52 0.06 3.52 -2.85 -1.12 -0.86 119.74 115.10 1r57 s LYS 12 Ca 0.01 -0.77 0.05 0.00 -1.00 0.00 0.00 55.97 54.26 1r57 s LYS 12 Cb -0.00 0.59 -0.03 0.00 -2.06 0.00 0.00 37.83 36.33 1r57 s LYS 12 CO 0.01 -0.68 -0.14 -0.06 0.10 0.00 0.00 175.35 174.58 1r57 s PHE 13 N -3.85 1.17 -0.12 1.78 0.08 0.00 -0.06 117.98 116.99 1r57 s PHE 13 Ca 0.07 -0.45 -0.15 0.00 0.12 0.00 0.00 56.93 56.52 1r57 s PHE 13 Cb -0.03 -0.67 0.04 0.00 -0.57 0.00 0.00 43.02 41.79 1r57 s PHE 13 CO -0.02 0.04 0.39 1.52 -0.10 0.00 0.00 175.22 177.06 1r57 s TYR 14 N -1.22 -0.39 -0.20 0.36 1.13 0.26 -1.65 117.35 115.64 1r57 s TYR 14 Ca -0.02 0.90 -0.04 0.00 -1.41 0.00 0.00 57.07 56.50 1r57 s TYR 14 Cb -0.10 0.15 -0.02 0.00 -1.10 0.00 0.00 41.96 40.90 1r57 s TYR 14 CO 0.02 -0.27 -0.04 0.42 -2.51 0.00 0.00 175.55 173.17 1r57 s ILE 15 N -0.19 3.54 0.00 -3.49 1.01 0.50 -0.61 121.20 121.97 1r57 s ILE 15 Ca -0.03 -0.45 0.00 0.00 0.00 0.00 0.00 60.65 60.17 1r57 s ILE 15 Cb -0.03 -2.59 0.00 0.00 0.01 0.00 0.00 42.46 39.84 1r57 s ILE 15 CO 0.02 0.44 0.00 0.61 0.00 0.00 0.00 174.94 176.01 1r57 n GLY 16 N 4.41 0.46 0.08 6.18 0.00 -1.25 -2.22 105.19 112.85 1r57 n GLY 16 Ca -0.18 -1.08 -0.12 0.00 0.00 0.00 0.00 46.02 44.65 1r57 n GLY 16 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1r57 h ASP 17 N 0.00 0.15 -3.35 1.61 3.32 -1.69 -3.44 116.42 113.02 1r57 h ASP 17 Ca 0.00 -0.25 -0.23 0.00 0.02 0.00 0.00 57.03 56.58 1r57 h ASP 17 Cb 0.00 -0.04 -0.06 0.00 0.22 0.00 0.00 39.33 39.45 1r57 h ASP 17 CO 0.00 0.36 -0.20 0.47 -1.72 0.00 0.00 179.24 178.15 1r57 n ASP 18 N -4.87 -0.53 0.13 6.45 8.00 -1.25 -4.92 116.55 119.56 1r57 n ASP 18 Ca -0.06 -2.16 0.00 0.00 0.71 0.00 0.00 54.79 53.29 1r57 n ASP 18 Cb 0.16 1.10 0.30 0.00 -0.02 0.00 0.00 41.12 42.67 1r57 n ASP 18 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1r57 h GLU 19 N 0.00 0.16 0.00 -1.24 3.07 -2.01 -1.87 114.58 112.69 1r57 h GLU 19 Ca -0.14 -0.06 0.00 0.00 -0.50 0.00 0.00 59.36 58.66 1r57 h GLU 19 Cb 0.66 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.56 1r57 h GLU 19 CO 0.19 0.48 0.00 -0.91 -1.40 0.00 0.00 179.01 177.38 1r57 h ASN 20 N 0.14 0.00 -2.11 1.42 2.35 -2.00 -3.28 115.58 112.10 1r57 h ASN 20 Ca 0.02 0.00 -0.52 0.00 -0.55 0.00 0.00 56.30 55.24 1r57 h ASN 20 Cb 0.66 0.00 -0.41 0.00 0.05 0.00 0.00 38.32 38.63 1r57 h ASN 20 CO 0.05 0.00 -0.98 0.59 -1.65 0.00 0.00 177.43 175.44 1r57 n ASN 21 N -2.81 2.28 -4.41 5.81 4.13 -0.71 -5.01 115.26 114.53 1r57 n ASN 21 Ca 0.00 -3.28 -0.45 0.00 1.68 0.00 0.00 54.58 52.54 1r57 n ASN 21 Cb 0.23 -0.60 -0.03 0.00 -1.54 0.00 0.00 39.78 37.84 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 -2.84 3.52 -0.75 5.41 0.00 -1.17 -2.83 121.76 123.10 1r57 s ALA 22 Ca 0.44 -2.71 0.25 0.00 0.00 0.00 0.00 51.96 49.94 1r57 s ALA 22 Cb 0.32 -3.81 0.63 0.00 0.00 0.00 0.00 23.12 20.26 1r57 s ALA 22 CO -0.10 -2.68 1.56 1.28 0.00 0.00 0.00 175.76 175.82 1r57 n LEU 23 N 6.01 0.65 -3.71 0.00 4.32 -0.98 -4.48 117.00 118.81 1r57 n LEU 23 Ca 0.13 0.36 -0.30 0.00 -0.02 0.00 0.00 56.01 56.18 1r57 n LEU 23 Cb 0.47 -0.27 -0.15 0.00 -1.62 0.00 0.00 43.42 41.85 1r57 n LEU 23 CO 0.49 -0.08 -0.32 0.00 -1.22 0.00 0.00 177.39 176.27 1r57 s ALA 24 N -3.11 1.57 -0.09 -1.18 0.00 -0.94 -0.79 121.76 117.22 1r57 s ALA 24 Ca 0.09 -1.81 0.02 0.00 0.00 0.00 0.00 51.96 50.26 1r57 s ALA 24 Cb 0.14 -1.66 -0.02 0.00 0.00 0.00 0.00 23.12 21.58 1r57 s ALA 24 CO 0.65 -1.75 -0.13 -2.00 0.00 0.00 0.00 175.76 172.53 1r57 s GLU 25 N 1.41 2.91 -0.17 0.00 2.56 0.41 -0.37 118.70 125.45 1r57 s GLU 25 Ca 0.11 -0.68 -0.08 0.00 0.00 0.00 0.00 54.97 54.32 1r57 s GLU 25 Cb -0.19 -2.51 0.07 0.00 2.00 0.00 0.00 34.13 33.50 1r57 s GLU 25 CO -0.20 0.45 0.40 -1.50 -0.56 0.00 0.00 175.26 173.85 1r57 s ILE 26 N -0.26 -0.18 0.08 -3.70 2.07 -0.66 0.21 121.20 118.76 1r57 s ILE 26 Ca 0.02 0.12 0.07 0.00 -1.41 0.00 0.00 60.65 59.45 1r57 s ILE 26 Cb -0.13 -0.61 -0.04 0.00 0.13 0.00 0.00 42.46 41.81 1r57 s ILE 26 CO 0.03 0.05 -0.15 0.42 -1.91 0.00 0.00 174.94 173.38 1r57 s THR 27 N 1.70 3.04 -0.09 4.00 -4.23 -1.00 -0.82 115.64 118.24 1r57 s THR 27 Ca -0.07 -1.28 -0.08 0.00 -1.18 0.00 0.00 61.69 59.08 1r57 s THR 27 Cb -0.09 -2.36 0.03 0.00 1.34 0.00 0.00 72.50 71.41 1r57 s THR 27 CO -0.13 0.20 0.24 -0.72 -0.54 0.00 0.00 174.62 173.68 1r57 s TYR 28 N -1.08 -0.28 0.01 3.99 1.13 -0.04 -1.36 117.35 119.72 1r57 s TYR 28 Ca 0.18 0.68 -0.03 0.00 -1.41 0.00 0.00 57.07 56.48 1r57 s TYR 28 Cb -0.11 0.08 -0.01 0.00 -1.10 0.00 0.00 41.96 40.83 1r57 s TYR 28 CO 0.09 -0.15 0.05 0.50 -2.51 0.00 0.00 175.55 173.54 1r57 s ARG 29 N 0.34 0.39 -0.21 -3.49 3.52 0.33 -4.48 118.95 115.35 1r57 s ARG 29 Ca -0.02 -0.49 -0.29 0.00 -0.13 0.00 0.00 55.73 54.80 1r57 s ARG 29 Cb -0.03 0.15 -0.01 0.00 -1.56 0.00 0.00 34.95 33.50 1r57 s ARG 29 CO -0.01 -0.08 1.22 -0.06 -0.81 0.00 0.00 175.30 175.56 1r57 s PHE 30 N -1.39 2.92 -0.11 5.12 0.40 -1.26 0.00 117.98 123.67 1r57 s PHE 30 Ca -0.15 1.08 -0.10 0.00 -0.60 0.00 0.00 56.93 57.16 1r57 s PHE 30 Cb -0.09 -3.54 -0.27 0.00 0.51 0.00 0.00 43.02 39.63 1r57 s PHE 30 CO 0.00 -1.44 0.45 -0.39 0.70 0.00 0.00 175.22 174.54 1r57 h VAL 31 N 5.58 0.76 -0.92 -0.44 -1.51 -1.65 -3.47 116.25 114.59 1r57 h VAL 31 Ca -0.25 -2.38 0.03 0.00 -1.23 0.00 0.00 66.70 62.88 1r57 h VAL 31 Cb 1.09 2.57 -0.20 0.00 -2.13 0.00 0.00 31.29 32.62 1r57 h VAL 31 CO 0.99 0.83 -0.36 -0.62 -1.23 0.00 0.00 177.57 177.18 1r57 s ASP 32 N -7.09 -1.50 0.00 4.19 2.15 -1.22 -5.05 116.67 108.15 1r57 s ASP 32 Ca -0.21 -0.00 0.00 0.00 0.43 0.00 0.00 52.55 52.77 1r57 s ASP 32 Cb 0.06 1.93 0.00 0.00 -0.30 0.00 0.00 42.92 44.61 1r57 s ASP 32 CO 0.78 -0.25 0.00 -3.20 -0.17 0.00 0.00 175.17 172.32 1r57 n ASN 33 N 5.18 0.00 -0.01 -0.34 5.15 -1.26 -2.32 115.26 121.67 1r57 n ASN 33 Ca 0.06 0.00 0.01 0.00 -0.60 0.00 0.00 54.58 54.05 1r57 n ASN 33 Cb 0.55 0.00 -0.03 0.00 -0.53 0.00 0.00 39.78 39.77 1r57 n ASN 33 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 1r57 n ASN 34 N 2.15 4.17 -4.67 1.20 2.85 -1.26 -4.96 115.26 114.73 1r57 n ASN 34 Ca 0.00 0.00 -0.43 0.00 -0.11 0.00 0.00 54.58 54.04 1r57 n ASN 34 Cb 0.00 0.97 -0.02 0.00 1.24 0.00 0.00 39.78 41.96 1r57 n ASN 34 CO 0.00 0.00 0.00 -1.61 -2.11 0.00 0.00 177.26 173.54 1r57 s GLU 35 N -2.19 4.27 -0.15 1.20 8.01 -0.98 -1.65 118.70 127.20 1r57 s GLU 35 Ca -0.01 1.64 -0.02 0.00 0.01 0.00 0.00 54.97 56.59 1r57 s GLU 35 Cb 0.02 -3.70 -0.02 0.00 -4.31 0.00 0.00 34.13 26.12 1r57 s GLU 35 CO 0.15 -0.63 -0.09 0.96 0.01 0.00 0.00 175.26 175.66 1r57 s ILE 36 N 3.12 3.34 -0.15 -1.63 -4.36 0.58 -1.54 121.20 120.57 1r57 s ILE 36 Ca 0.54 -0.55 -0.07 0.00 -0.26 0.00 0.00 60.65 60.31 1r57 s ILE 36 Cb -0.22 -2.45 -0.04 0.00 1.25 0.00 0.00 42.46 41.00 1r57 s ILE 36 CO 0.16 0.50 0.11 0.54 0.24 0.00 0.00 174.94 176.49 1r57 s ASN 37 N 0.56 6.08 -0.48 4.36 4.22 0.10 -1.56 114.94 128.22 1r57 s ASN 37 Ca -0.06 0.31 -0.27 0.00 -2.14 0.00 0.00 52.86 50.70 1r57 s ASN 37 Cb -0.15 -1.98 0.03 0.00 1.28 0.00 0.00 41.25 40.43 1r57 s ASN 37 CO 0.03 0.31 1.01 -0.63 -2.04 0.00 0.00 177.10 175.78 1r57 s ILE 38 N -0.45 4.35 -0.01 0.54 1.09 -0.00 -0.51 121.20 126.21 1r57 s ILE 38 Ca 0.11 0.85 -0.23 0.00 -1.10 0.00 0.00 60.65 60.29 1r57 s ILE 38 Cb -0.12 -4.52 -0.14 0.00 -1.06 0.00 0.00 42.46 36.63 1r57 s ILE 38 CO 0.02 -0.95 0.99 -0.78 -0.10 0.00 0.00 174.94 174.12 1r57 h ASP 39 N 9.18 -0.52 -5.00 3.58 1.82 -1.55 -0.01 116.42 123.92 1r57 h ASP 39 Ca -0.24 -0.08 -0.10 0.00 -0.39 0.00 0.00 57.03 56.22 1r57 h ASP 39 Cb 1.07 0.13 -0.19 0.00 0.68 0.00 0.00 39.33 41.02 1r57 h ASP 39 CO 1.07 -0.11 -0.19 -1.38 -1.61 0.00 0.00 179.24 177.02 1r57 s HIS 40 N -4.18 -0.25 -0.28 0.28 -3.43 -1.26 -3.90 115.29 102.26 1r57 s HIS 40 Ca -0.12 0.34 -0.01 0.00 -0.80 0.00 0.00 55.06 54.47 1r57 s HIS 40 Cb 0.01 0.15 0.05 0.00 -1.43 0.00 0.00 32.58 31.37 1r57 s HIS 40 CO 0.42 -0.46 -0.04 0.99 -2.00 0.00 0.00 174.74 173.65 1r57 s THR 41 N -1.60 2.77 -0.96 -5.38 2.01 -1.26 -2.38 115.64 108.83 1r57 s THR 41 Ca -0.11 -1.39 -0.05 0.00 0.31 0.00 0.00 61.69 60.44 1r57 s THR 41 Cb -0.03 -2.57 0.24 0.00 0.01 0.00 0.00 72.50 70.14 1r57 s THR 41 CO 0.03 -0.04 0.89 -0.83 -0.69 0.00 0.00 174.62 173.98 1r57 s GLY 42 N 1.23 3.09 -0.19 4.40 0.00 0.13 -4.98 107.32 110.99 1r57 s GLY 42 Ca -0.05 -3.79 -0.17 0.00 0.00 0.00 0.00 44.72 40.71 1r57 s GLY 42 CO -0.03 1.25 0.44 0.14 0.00 0.00 0.00 173.10 174.90 1r57 s VAL 43 N -1.18 5.17 0.58 1.40 1.01 -1.26 -0.44 120.40 125.68 1r57 s VAL 43 Ca 0.28 0.81 -0.19 0.00 0.00 0.00 0.00 61.98 62.88 1r57 s VAL 43 Cb -0.09 -3.77 -0.04 0.00 0.00 0.00 0.00 36.38 32.47 1r57 s VAL 43 CO -0.10 0.24 1.17 -0.94 0.00 0.00 0.00 175.10 175.47 1r57 s SER 44 N 1.02 5.36 0.28 3.32 1.04 0.03 -4.92 113.70 119.82 1r57 s SER 44 Ca 0.21 2.29 0.25 0.00 0.48 0.00 0.00 55.95 59.18 1r57 s SER 44 Cb -0.15 -2.59 0.52 0.00 0.10 0.00 0.00 66.02 63.90 1r57 s SER 44 CO 0.09 -1.47 1.60 0.44 0.98 0.00 0.00 173.24 174.88 1r57 h ASP 45 N 0.94 0.00 1.14 7.02 5.19 -1.97 -3.29 116.42 125.45 1r57 h ASP 45 Ca -0.50 -0.03 -0.05 0.00 -0.62 0.00 0.00 57.03 55.83 1r57 h ASP 45 Cb 1.28 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.78 1r57 h ASP 45 CO 0.56 0.01 -0.89 -0.33 -3.12 0.00 0.00 179.24 175.48 1r57 h GLU 46 N 0.00 0.00 -1.71 3.56 5.08 -1.96 -3.41 114.58 116.15 1r57 h GLU 46 Ca 0.00 0.00 -0.51 0.00 -1.00 0.00 0.00 59.36 57.85 1r57 h GLU 46 Cb 0.85 0.00 -0.35 0.00 0.50 0.00 0.00 28.75 29.75 1r57 h GLU 46 CO 0.00 0.13 -1.01 -0.11 -1.00 0.00 0.00 179.01 177.02 1r57 n LEU 47 N -2.86 -0.35 0.00 1.33 7.94 -1.24 -4.96 117.00 116.85 1r57 n LEU 47 Ca -0.02 -4.45 0.00 0.00 -1.11 0.00 0.00 56.01 50.43 1r57 n LEU 47 Cb 0.64 0.67 0.00 0.00 0.53 0.00 0.00 43.42 45.26 1r57 n LEU 47 CO 0.40 2.05 0.00 0.61 -1.11 0.00 0.00 177.39 179.34 1r57 n GLY 48 N 1.53 0.44 7.00 -3.96 0.00 -1.25 -4.60 105.19 104.35 1r57 n GLY 48 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 1r57 n GLY 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1r57 n GLY 49 N 2.34 1.08 0.43 -0.02 0.00 -1.26 -4.55 105.19 103.22 1r57 n GLY 49 Ca 0.00 0.32 -0.02 0.00 0.00 0.00 0.00 46.02 46.32 1r57 n GLY 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1r57 n GLN 50 N 0.00 0.58 -1.16 1.61 0.00 -1.26 -4.94 117.38 112.21 1r57 n GLN 50 Ca 0.00 -0.30 -0.34 0.00 0.00 0.00 0.00 57.00 56.35 1r57 n GLN 50 Cb 0.00 -0.07 -0.03 0.00 0.00 0.00 0.00 30.24 30.15 1r57 n GLN 50 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1r57 n GLY 51 N 4.16 3.93 0.35 2.61 0.00 -1.26 -4.54 105.19 110.43 1r57 n GLY 51 Ca 0.02 -1.32 -0.03 0.00 0.00 0.00 0.00 46.02 44.68 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 3.15 1.25 -0.26 1.61 2.07 -1.92 -1.70 116.25 120.44 1r57 h VAL 52 Ca 0.77 -0.67 -0.06 0.00 0.82 0.00 0.00 66.70 67.55 1r57 h VAL 52 Cb 0.26 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 30.22 1r57 h VAL 52 CO 1.70 0.29 -0.11 1.23 0.02 0.00 0.00 177.57 180.70 1r57 h GLY 53 N 1.16 0.45 1.41 2.17 0.00 -1.93 -1.19 103.07 105.14 1r57 h GLY 53 Ca 0.28 -0.29 -0.11 0.00 0.00 0.00 0.00 47.33 47.20 1r57 h GLY 53 CO -0.04 0.27 -0.25 1.70 0.00 0.00 0.00 176.54 178.23 1r57 h LYS 54 N 0.39 0.68 -0.00 4.80 3.64 -1.70 -0.56 116.57 123.82 1r57 h LYS 54 Ca 0.08 -0.27 -0.15 0.00 -1.27 0.00 0.00 60.65 59.04 1r57 h LYS 54 Cb 0.43 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.20 1r57 h LYS 54 CO 0.02 0.86 -0.70 0.87 -2.27 0.00 0.00 179.45 178.23 1r57 h LYS 55 N 0.59 0.01 0.07 1.90 1.57 -0.89 0.42 116.57 120.23 1r57 h LYS 55 Ca 0.08 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1r57 h LYS 55 Cb 0.73 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.04 1r57 h LYS 55 CO 0.06 0.70 -0.03 -0.07 -0.57 0.00 0.00 179.45 179.54 1r57 h LEU 56 N 0.00 -0.08 -1.41 2.94 3.38 -0.95 -2.74 115.31 116.46 1r57 h LEU 56 Ca -0.01 -0.21 -0.05 0.00 0.09 0.00 0.00 57.88 57.70 1r57 h LEU 56 Cb 1.24 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 42.00 1r57 h LEU 56 CO 0.09 0.17 -0.14 0.25 0.09 0.00 0.00 178.44 178.90 1r57 h LEU 57 N -0.32 0.21 -0.37 1.67 5.85 -0.94 -2.54 115.31 118.86 1r57 h LEU 57 Ca -0.01 -0.04 0.06 0.00 0.84 0.00 0.00 57.88 58.73 1r57 h LEU 57 Cb 0.28 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.20 1r57 h LEU 57 CO 0.01 0.37 0.04 0.50 -0.34 0.00 0.00 178.44 179.02 1r57 h LYS 58 N 0.21 0.14 -0.71 1.25 3.64 -0.02 0.34 116.57 121.42 1r57 h LYS 58 Ca 0.04 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.40 1r57 h LYS 58 Cb 0.38 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.13 1r57 h LYS 58 CO 0.02 0.09 0.41 0.00 -2.27 0.00 0.00 179.45 177.70 1r57 h ALA 59 N 1.30 0.91 -0.16 5.00 0.00 -1.16 0.14 119.26 125.29 1r57 h ALA 59 Ca 0.18 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1r57 h ALA 59 Cb 0.23 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1r57 h ALA 59 CO -0.27 0.41 0.02 0.28 0.00 0.00 0.00 179.25 179.70 1r57 h VAL 60 N 0.98 1.23 -0.48 0.00 2.07 -1.21 -1.51 116.25 117.33 1r57 h VAL 60 Ca 0.25 -0.73 -0.02 0.00 0.82 0.00 0.00 66.70 67.02 1r57 h VAL 60 Cb 0.01 1.40 -0.02 0.00 -1.52 0.00 0.00 31.29 31.16 1r57 h VAL 60 CO -0.04 0.22 0.23 0.58 0.02 0.00 0.00 177.57 178.57 1r57 h VAL 61 N 0.05 1.19 -0.44 2.57 2.07 -0.06 0.26 116.25 121.89 1r57 h VAL 61 Ca 0.05 -0.55 -0.07 0.00 0.82 0.00 0.00 66.70 66.96 1r57 h VAL 61 Cb 0.32 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 30.74 1r57 h VAL 61 CO 0.00 0.21 0.01 -0.08 0.02 0.00 0.00 177.57 177.74 1r57 h GLU 62 N 0.63 0.77 0.00 1.57 4.81 -0.71 0.25 114.58 121.90 1r57 h GLU 62 Ca 0.16 -0.24 -0.07 0.00 -0.13 0.00 0.00 59.36 59.09 1r57 h GLU 62 Cb 0.13 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 1r57 h GLU 62 CO -0.02 0.83 -0.31 1.25 -0.73 0.00 0.00 179.01 180.03 1r57 h HIS 63 N 0.62 0.00 -0.03 0.92 2.76 -1.10 0.82 115.15 119.14 1r57 h HIS 63 Ca 0.13 0.00 -0.17 0.00 -2.20 0.00 0.00 60.37 58.12 1r57 h HIS 63 Cb 0.47 0.00 0.01 0.00 1.55 0.00 0.00 27.41 29.44 1r57 h HIS 63 CO 0.04 0.31 -0.66 0.00 -1.30 0.00 0.00 177.93 176.32 1r57 h ALA 64 N 1.69 0.12 -0.77 5.26 0.00 -0.05 -2.67 119.26 122.84 1r57 h ALA 64 Ca -0.00 -0.58 0.01 0.00 0.00 0.00 0.00 54.91 54.34 1r57 h ALA 64 Cb 0.89 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.66 1r57 h ALA 64 CO 0.04 0.43 0.50 -0.09 0.00 0.00 0.00 179.25 180.13 1r57 h ARG 65 N 0.06 0.99 -0.60 0.00 2.43 -0.30 0.61 114.38 117.56 1r57 h ARG 65 Ca -0.07 -0.06 0.12 0.00 -0.81 0.00 0.00 59.98 59.16 1r57 h ARG 65 Cb 1.34 -0.22 -0.10 0.00 -0.42 0.00 0.00 29.97 30.57 1r57 h ARG 65 CO 0.13 0.66 0.03 1.49 -1.51 0.00 0.00 179.97 180.77 1r57 h GLU 66 N 1.02 0.14 -0.35 0.20 4.81 -0.81 -2.58 114.58 117.02 1r57 h GLU 66 Ca 0.29 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.51 1r57 h GLU 66 Cb -0.09 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.26 1r57 h GLU 66 CO -0.07 0.09 0.00 0.09 -0.73 0.00 0.00 179.01 178.39 1r57 n ASN 67 N -5.24 3.00 -3.36 1.04 3.02 -1.01 -4.99 115.26 107.71 1r57 n ASN 67 Ca 0.09 -1.90 -0.18 0.00 -0.03 0.00 0.00 54.58 52.56 1r57 n ASN 67 Cb 0.34 -0.23 0.05 0.00 -0.61 0.00 0.00 39.78 39.33 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 0.89 -6.40 -4.78 6.41 5.03 0.18 -5.01 115.26 111.58 1r57 n ASN 68 Ca 0.14 -0.72 -0.24 0.00 0.87 0.00 0.00 54.58 54.64 1r57 n ASN 68 Cb 0.46 -4.61 -0.05 0.00 -1.02 0.00 0.00 39.78 34.56 1r57 n ASN 68 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1r57 s LEU 69 N -5.49 3.68 -0.32 3.41 1.43 0.53 -5.01 118.68 116.92 1r57 s LEU 69 Ca 0.39 -0.28 -0.19 0.00 -1.03 0.00 0.00 54.13 53.02 1r57 s LEU 69 Cb -0.08 -2.25 -0.01 0.00 0.03 0.00 0.00 46.19 43.88 1r57 s LEU 69 CO 0.78 0.01 0.55 -0.54 0.23 0.00 0.00 176.35 177.38 1r57 s LYS 70 N -3.53 3.79 -0.39 1.70 -0.14 -0.66 -4.76 119.74 115.76 1r57 s LYS 70 Ca 0.32 0.07 -0.20 0.00 -1.36 0.00 0.00 55.97 54.79 1r57 s LYS 70 Cb -0.08 -3.75 0.01 0.00 -1.68 0.00 0.00 37.83 32.32 1r57 s LYS 70 CO 0.23 -0.57 0.60 0.42 -0.76 0.00 0.00 175.35 175.27 1r57 s ILE 71 N 2.45 4.91 -0.15 2.17 1.01 -0.76 -0.31 121.20 130.53 1r57 s ILE 71 Ca 0.21 0.30 0.00 0.00 0.00 0.00 0.00 60.65 61.16 1r57 s ILE 71 Cb -0.15 -4.10 0.03 0.00 0.01 0.00 0.00 42.46 38.25 1r57 s ILE 71 CO 0.12 -0.40 -0.12 0.27 0.00 0.00 0.00 174.94 174.81 1r57 s ILE 72 N 2.65 1.42 -0.22 2.92 -4.36 -0.60 -4.55 121.20 118.46 1r57 s ILE 72 Ca 0.22 -0.59 -0.18 0.00 -0.26 0.00 0.00 60.65 59.84 1r57 s ILE 72 Cb -0.15 -1.38 -0.03 0.00 1.25 0.00 0.00 42.46 42.15 1r57 s ILE 72 CO 0.16 0.39 0.50 0.00 0.24 0.00 0.00 174.94 176.23 1r57 s ALA 73 N 1.54 3.56 0.12 2.27 0.00 -1.26 -0.82 121.76 127.17 1r57 s ALA 73 Ca 0.04 -0.49 -0.08 0.00 0.00 0.00 0.00 51.96 51.44 1r57 s ALA 73 Cb -0.13 -2.81 -0.10 0.00 0.00 0.00 0.00 23.12 20.07 1r57 s ALA 73 CO -0.10 -0.52 1.31 0.77 0.00 0.00 0.00 175.76 177.22 1r57 h SER 74 N 7.63 0.70 -3.44 0.00 0.02 -1.26 -3.44 113.55 113.76 1r57 h SER 74 Ca -0.32 -0.51 -0.53 0.00 -0.84 0.00 0.00 61.79 59.58 1r57 h SER 74 Cb 1.15 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 63.46 1r57 h SER 74 CO 0.73 1.30 0.39 0.00 -1.14 0.00 0.00 176.83 178.11 1r57 h SER 76 N 6.34 0.00 -0.13 0.00 4.64 -1.96 -2.32 113.55 120.13 1r57 h SER 76 Ca -0.42 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 60.90 1r57 h SER 76 Cb 1.22 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.30 1r57 h SER 76 CO 0.74 0.36 0.07 0.15 -0.87 0.00 0.00 176.83 177.29 1r57 h PHE 77 N 0.00 0.18 -0.47 4.77 3.57 -1.97 0.15 116.94 123.17 1r57 h PHE 77 Ca -0.00 -0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.38 1r57 h PHE 77 Cb 0.66 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.33 1r57 h PHE 77 CO 0.00 0.18 -0.15 0.00 -2.23 0.00 0.00 178.31 176.11 1r57 h ALA 78 N 0.98 0.86 -0.65 2.41 0.00 -1.92 -2.18 119.26 118.76 1r57 h ALA 78 Ca 0.05 -0.35 -0.06 0.00 0.00 0.00 0.00 54.91 54.54 1r57 h ALA 78 Cb 0.06 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 1r57 h ALA 78 CO -0.01 0.64 0.15 -0.22 0.00 0.00 0.00 179.25 179.81 1r57 h LYS 79 N 0.78 1.03 -0.15 0.00 3.64 -1.19 -1.22 116.57 119.47 1r57 h LYS 79 Ca 0.12 -0.24 -0.05 0.00 -1.27 0.00 0.00 60.65 59.21 1r57 h LYS 79 Cb 0.68 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.35 1r57 h LYS 79 CO 0.05 0.92 -0.15 1.25 -2.27 0.00 0.00 179.45 179.25 1r57 h HIS 80 N 0.98 0.25 -0.02 1.91 2.76 -0.41 -1.57 115.15 119.05 1r57 h HIS 80 Ca 0.21 -0.03 -0.15 0.00 -2.20 0.00 0.00 60.37 58.19 1r57 h HIS 80 Cb 0.36 -0.07 -0.02 0.00 1.55 0.00 0.00 27.41 29.23 1r57 h HIS 80 CO 0.03 0.39 -0.70 1.98 -1.30 0.00 0.00 177.93 178.32 1r57 h MET 81 N 0.23 0.10 -0.40 5.26 1.85 -0.75 -0.74 114.93 120.49 1r57 h MET 81 Ca 0.04 -0.09 -0.10 0.00 -0.61 0.00 0.00 59.70 58.95 1r57 h MET 81 Cb 0.40 0.02 -0.02 0.00 0.43 0.00 0.00 31.60 32.44 1r57 h MET 81 CO 0.02 0.76 -0.15 -0.07 -0.40 0.00 0.00 176.91 177.08 1r57 h LEU 82 N 0.07 0.72 0.00 3.39 3.38 -0.54 -2.77 115.31 119.56 1r57 h LEU 82 Ca -0.01 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.73 1r57 h LEU 82 Cb 1.24 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.80 1r57 h LEU 82 CO 0.10 0.88 -0.17 -0.33 0.09 0.00 0.00 178.44 179.01 1r57 h GLU 83 N 0.65 0.00 -0.98 1.13 5.08 -1.13 -3.35 114.58 115.98 1r57 h GLU 83 Ca 0.11 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.49 1r57 h GLU 83 Cb 0.62 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.82 1r57 h GLU 83 CO 0.04 0.00 0.64 -0.22 -1.00 0.00 0.00 179.01 178.47 1r57 h LYS 84 N 0.00 1.22 -4.70 2.33 3.64 -0.83 -3.44 116.57 114.79 1r57 h LYS 84 Ca 0.00 -0.07 -0.28 0.00 -1.27 0.00 0.00 60.65 59.03 1r57 h LYS 84 Cb 0.81 -0.28 -0.15 0.00 -0.41 0.00 0.00 32.23 32.21 1r57 h LYS 84 CO 0.00 0.81 -0.62 -1.83 -2.27 0.00 0.00 179.45 175.54 1r57 s GLU 85 N -6.05 1.26 0.19 1.90 -1.05 -1.26 -5.06 118.70 108.63 1r57 s GLU 85 Ca -0.13 -1.67 0.17 0.00 -0.15 0.00 0.00 54.97 53.20 1r57 s GLU 85 Cb 0.19 0.05 -0.01 0.00 -0.44 0.00 0.00 34.13 33.93 1r57 s GLU 85 CO 0.81 -0.34 1.16 0.22 0.95 0.00 0.00 175.26 178.06 1r57 h ASP 86 N 2.55 0.00 0.14 0.83 3.58 -1.86 -3.29 116.42 118.36 1r57 h ASP 86 Ca -0.37 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.08 1r57 h ASP 86 Cb 1.25 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.30 1r57 h ASP 86 CO 0.56 0.44 0.00 -0.24 -2.88 0.00 0.00 179.24 177.13 1r57 n SER 87 N -3.02 0.00 -0.21 2.28 2.88 -1.26 -1.23 113.62 113.06 1r57 n SER 87 Ca -0.03 0.04 0.11 0.00 -1.33 0.00 0.00 58.87 57.66 1r57 n SER 87 Cb 0.74 -0.22 0.06 0.00 -0.75 0.00 0.00 64.21 64.04 1r57 n SER 87 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 1r57 n TYR 88 N -1.22 0.00 0.37 0.66 4.01 -1.24 -4.17 117.16 115.57 1r57 n TYR 88 Ca 0.05 0.00 0.13 0.00 -0.16 0.00 0.00 57.90 57.92 1r57 n TYR 88 Cb 0.07 -0.06 0.52 0.00 -0.31 0.00 0.00 39.34 39.56 1r57 n TYR 88 CO 0.00 0.00 0.00 0.37 -0.46 0.00 0.00 176.86 176.77 1r57 h GLN 89 N 1.03 0.00 -0.61 -0.72 4.15 -1.41 -2.07 115.11 115.48 1r57 h GLN 89 Ca 0.00 0.00 0.04 0.00 0.77 0.00 0.00 58.65 59.46 1r57 h GLN 89 Cb 0.59 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.24 1r57 h GLN 89 CO 0.00 0.00 0.41 -0.44 -1.93 0.00 0.00 178.83 176.87 1r57 h ASP 90 N 0.00 0.59 -0.02 -0.69 5.19 -1.78 -2.94 116.42 116.78 1r57 h ASP 90 Ca 0.00 -0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1r57 h ASP 90 Cb 0.36 -0.13 0.00 0.00 0.18 0.00 0.00 39.33 39.74 1r57 h ASP 90 CO 0.00 0.40 0.00 1.33 -3.12 0.00 0.00 179.24 177.85 1r57 n VAL 91 N -4.47 0.46 -4.20 -1.35 0.24 -0.97 -4.99 118.33 103.05 1r57 n VAL 91 Ca 0.08 -0.73 -0.36 0.00 -2.04 0.00 0.00 64.34 61.29 1r57 n VAL 91 Cb 0.16 0.79 -0.08 0.00 -1.47 0.00 0.00 33.84 33.24 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 -0.52 3.31 0.23 6.34 5.04 -0.82 -1.82 117.35 129.11 1r57 s TYR 92 Ca 0.02 0.29 -0.08 0.00 -2.44 0.00 0.00 57.07 54.87 1r57 s TYR 92 Cb 0.01 -1.85 0.21 0.00 0.35 0.00 0.00 41.96 40.69 1r57 s TYR 92 CO 0.02 0.54 1.91 -0.07 -1.34 0.00 0.00 175.55 176.60 1r57 h LEU 93 N 5.18 1.04 0.00 6.97 -0.00 -1.84 -3.45 115.31 123.20 1r57 h LEU 93 Ca -0.51 -0.03 0.00 0.00 -0.00 0.00 0.00 57.88 57.34 1r57 h LEU 93 Cb 1.20 -0.26 0.00 0.00 -0.00 0.00 0.00 40.66 41.60 1r57 h LEU 93 CO 0.56 0.75 0.00 0.61 -0.00 0.00 0.00 178.44 180.37 1r57 n GLY 94 N -1.34 -0.33 3.67 0.83 0.00 -1.26 -4.77 105.19 101.98 1r57 n GLY 94 Ca 0.10 -1.19 -0.37 0.00 0.00 0.00 0.00 46.02 44.56 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 4.13 -1.04 0.99 1.43 -1.26 -4.99 118.68 117.94 1r57 s LEU 95 Ca 0.00 0.20 -0.21 0.00 -1.03 0.00 0.00 54.13 53.09 1r57 s LEU 95 Cb 0.00 -2.19 -0.09 0.00 0.03 0.00 0.00 46.19 43.94 1r57 s LEU 95 CO 0.00 0.04 1.94 1.21 0.23 0.00 0.00 176.35 179.77 1r57 n GLU 96 N 4.29 1.85 0.00 1.70 2.13 -1.26 -3.98 120.64 125.38 1r57 n GLU 96 Ca -0.14 -2.29 0.00 0.00 0.66 0.00 0.00 57.16 55.39 1r57 n GLU 96 Cb 0.52 -3.30 0.00 0.00 0.27 0.00 0.00 31.44 28.93 1r57 n GLU 96 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 1r57 n HIS 97 N 9.85 -0.76 -1.69 4.31 8.25 -1.26 -4.97 115.22 128.96 1r57 n HIS 97 Ca 0.48 0.01 -0.42 0.00 -0.26 0.00 0.00 57.72 57.54 1r57 n HIS 97 Cb 0.43 0.51 -0.00 0.00 1.12 0.00 0.00 29.99 32.05 1r57 n HIS 97 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 1r57 n HIS 98 N -2.51 3.37 -1.49 4.41 1.44 -1.26 -3.51 115.22 115.67 1r57 n HIS 98 Ca 0.00 -2.99 0.00 0.00 -2.01 0.00 0.00 57.72 52.72 1r57 n HIS 98 Cb 0.00 -2.54 0.00 0.00 0.12 0.00 0.00 29.99 27.57 1r57 n HIS 98 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 1r57 n HIS 99 N 5.69 0.00 0.00 -1.40 -0.00 -1.26 -5.05 115.22 113.19 1r57 n HIS 99 Ca 0.55 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 58.27 1r57 n HIS 99 Cb 0.37 0.06 0.00 0.00 -0.00 0.00 0.00 29.99 30.42 1r57 n HIS 99 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 1r57 n HIS 100 N 0.00 0.00 -2.23 4.41 8.25 -1.23 -1.73 115.22 122.69 1r57 n HIS 100 Ca 0.00 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.45 1r57 n HIS 100 Cb 0.52 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.62 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 0.00 -0.40 4.41 -0.00 -1.26 -4.98 115.22 112.99 1r57 n HIS 101 Ca 0.00 -0.39 0.00 0.00 -0.00 0.00 0.00 57.72 57.33 1r57 n HIS 101 Cb 0.00 0.11 0.00 0.00 -0.00 0.00 0.00 29.99 30.10 1r57 n HIS 101 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06