#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 -0.77 6.12 7.64 -1.26 -2.20 113.62 123.15 1r57 n SER 2 Ca 0.00 0.00 -0.04 0.00 1.01 0.00 0.00 58.87 59.84 1r57 n SER 2 Cb 0.00 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.16 1r57 n SER 2 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1r57 n ASN 3 N 2.81 -0.51 -0.19 6.43 0.23 -1.26 -4.93 115.26 117.84 1r57 n ASN 3 Ca 0.00 -1.54 0.14 0.00 -0.53 0.00 0.00 54.58 52.65 1r57 n ASN 3 Cb 0.00 0.15 0.61 0.00 -2.08 0.00 0.00 39.78 38.46 1r57 n ASN 3 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 1r57 n LEU 4 N 0.01 0.68 -4.62 -4.53 4.77 -0.94 -3.50 117.00 108.87 1r57 n LEU 4 Ca -0.14 -0.13 -0.43 0.00 -0.03 0.00 0.00 56.01 55.28 1r57 n LEU 4 Cb 0.61 -0.12 -0.02 0.00 -2.33 0.00 0.00 43.42 41.57 1r57 n LEU 4 CO -0.07 0.12 1.07 -1.61 -1.33 0.00 0.00 177.39 175.57 1r57 s GLU 5 N -2.33 3.84 -0.13 3.23 8.01 -1.26 -4.96 118.70 125.10 1r57 s GLU 5 Ca 0.32 0.93 -0.29 0.00 0.01 0.00 0.00 54.97 55.95 1r57 s GLU 5 Cb 0.20 -3.88 -0.06 0.00 -4.31 0.00 0.00 34.13 26.09 1r57 s GLU 5 CO 0.44 -1.22 2.08 0.42 0.01 0.00 0.00 175.26 176.99 1r57 s ILE 6 N 4.39 3.07 -0.01 -1.63 1.01 -1.26 -4.77 121.20 122.00 1r57 s ILE 6 Ca 0.52 0.08 -0.11 0.00 0.00 0.00 0.00 60.65 61.13 1r57 s ILE 6 Cb -0.12 -3.07 -0.05 0.00 0.01 0.00 0.00 42.46 39.23 1r57 s ILE 6 CO 0.26 -0.03 0.32 -0.54 0.00 0.00 0.00 174.94 174.95 1r57 s LYS 7 N 5.57 3.72 -0.05 2.79 -0.14 -0.77 -4.97 119.74 125.89 1r57 s LYS 7 Ca 0.94 0.16 -0.03 0.00 -1.36 0.00 0.00 55.97 55.68 1r57 s LYS 7 Cb -0.36 -3.15 -0.04 0.00 -1.68 0.00 0.00 37.83 32.61 1r57 s LYS 7 CO 0.37 0.68 0.10 1.14 -0.76 0.00 0.00 175.35 176.87 1r57 s GLN 8 N -1.35 3.20 0.00 1.68 0.00 -1.26 -1.26 119.66 120.67 1r57 s GLN 8 Ca 0.24 -0.35 0.00 0.00 -0.00 0.00 0.00 55.36 55.25 1r57 s GLN 8 Cb -0.15 -2.97 0.00 0.00 0.00 0.00 0.00 33.01 29.90 1r57 s GLN 8 CO 0.13 0.70 0.00 0.41 0.00 0.00 0.00 175.29 176.52 1r57 n GLY 9 N 1.54 4.02 3.55 2.60 0.00 0.60 -4.96 105.19 112.55 1r57 n GLY 9 Ca -0.16 -1.52 -0.36 0.00 0.00 0.00 0.00 46.02 43.99 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 -1.31 2.44 -1.71 1.61 2.02 -1.26 -2.84 118.70 117.66 1r57 s GLU 10 Ca 0.00 0.74 0.00 0.00 0.02 0.00 0.00 54.97 55.73 1r57 s GLU 10 Cb 0.00 -4.51 0.00 0.00 0.10 0.00 0.00 34.13 29.72 1r57 s GLU 10 CO 0.00 -2.99 0.00 0.09 0.02 0.00 0.00 175.26 172.38 1r57 n ASN 11 N 13.90 -5.40 -3.77 -0.19 4.13 -1.26 -4.92 115.26 117.75 1r57 n ASN 11 Ca 0.27 0.12 -0.13 0.00 1.68 0.00 0.00 54.58 56.52 1r57 n ASN 11 Cb 0.52 -4.57 -0.09 0.00 -1.54 0.00 0.00 39.78 34.10 1r57 n ASN 11 CO 0.00 0.00 0.00 -1.59 0.28 0.00 0.00 177.26 175.95 1r57 s LYS 12 N -4.75 0.62 -0.04 3.52 -2.85 -1.13 -0.13 119.74 114.97 1r57 s LYS 12 Ca 0.00 -0.11 0.06 0.00 -1.00 0.00 0.00 55.97 54.92 1r57 s LYS 12 Cb 0.00 0.27 -0.02 0.00 -2.06 0.00 0.00 37.83 36.03 1r57 s LYS 12 CO 0.00 -0.16 -0.23 -0.06 0.10 0.00 0.00 175.35 175.00 1r57 s PHE 13 N -1.12 2.45 -0.01 1.78 0.08 -0.48 -0.29 117.98 120.39 1r57 s PHE 13 Ca -0.12 -0.52 0.00 0.00 0.12 0.00 0.00 56.93 56.42 1r57 s PHE 13 Cb -0.05 -1.57 0.00 0.00 -0.57 0.00 0.00 43.02 40.83 1r57 s PHE 13 CO 0.04 -0.08 -0.01 1.52 -0.10 0.00 0.00 175.22 176.58 1r57 s TYR 14 N -0.41 0.16 -0.04 0.36 1.13 -0.39 -1.09 117.35 117.07 1r57 s TYR 14 Ca 0.04 -0.01 0.07 0.00 -1.41 0.00 0.00 57.07 55.76 1r57 s TYR 14 Cb -0.12 -0.14 -0.02 0.00 -1.10 0.00 0.00 41.96 40.58 1r57 s TYR 14 CO 0.01 -0.02 -0.25 0.42 -2.51 0.00 0.00 175.55 173.20 1r57 s ILE 15 N 0.16 2.11 -5.00 -3.49 1.01 0.29 -1.84 121.20 114.44 1r57 s ILE 15 Ca -0.01 -1.07 0.00 0.00 0.00 0.00 0.00 60.65 59.57 1r57 s ILE 15 Cb -0.03 -1.74 0.00 0.00 0.01 0.00 0.00 42.46 40.70 1r57 s ILE 15 CO -0.00 0.58 0.00 0.61 0.00 0.00 0.00 174.94 176.12 1r57 n GLY 16 N 2.66 0.42 0.10 6.18 0.00 -1.23 -1.44 105.19 111.88 1r57 n GLY 16 Ca -0.17 -1.45 -0.12 0.00 0.00 0.00 0.00 46.02 44.28 1r57 n GLY 16 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1r57 h ASP 17 N 0.00 -0.12 -2.49 1.61 3.58 -1.76 -3.44 116.42 113.80 1r57 h ASP 17 Ca 0.00 -0.39 -0.01 0.00 0.42 0.00 0.00 57.03 57.05 1r57 h ASP 17 Cb 0.00 0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.09 1r57 h ASP 17 CO 0.00 0.36 0.24 -0.67 -2.88 0.00 0.00 179.24 176.29 1r57 n ASP 18 N -4.93 -1.74 0.16 2.28 2.03 -1.15 -4.93 116.55 108.28 1r57 n ASP 18 Ca -0.08 -2.18 0.02 0.00 0.52 0.00 0.00 54.79 53.06 1r57 n ASP 18 Cb 0.26 2.89 0.27 0.00 -0.72 0.00 0.00 41.12 43.82 1r57 n ASP 18 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 1r57 h GLU 19 N 0.00 0.00 -0.03 -0.67 4.57 -1.97 -0.47 114.58 116.01 1r57 h GLU 19 Ca -0.26 0.00 -0.18 0.00 -1.18 0.00 0.00 59.36 57.74 1r57 h GLU 19 Cb 0.95 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.53 1r57 h GLU 19 CO 0.32 0.49 -0.77 -0.97 -1.18 0.00 0.00 179.01 176.90 1r57 h ASN 20 N 0.00 0.31 -1.90 1.04 -1.24 -2.02 -3.33 115.58 108.44 1r57 h ASN 20 Ca -0.00 -0.22 -0.57 0.00 0.71 0.00 0.00 56.30 56.21 1r57 h ASN 20 Cb 0.92 -0.09 -0.42 0.00 0.73 0.00 0.00 38.32 39.46 1r57 h ASN 20 CO 0.06 0.97 -0.74 0.59 -1.29 0.00 0.00 177.43 177.02 1r57 n ASN 21 N -3.76 4.20 -4.70 1.15 3.02 -1.04 -5.05 115.26 109.07 1r57 n ASN 21 Ca -0.03 -3.61 -0.42 0.00 -0.03 0.00 0.00 54.58 50.48 1r57 n ASN 21 Cb 0.73 -0.52 -0.03 0.00 -0.61 0.00 0.00 39.78 39.35 1r57 n ASN 21 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1r57 s ALA 22 N -3.42 3.53 -0.27 5.41 0.00 -0.21 -2.12 121.76 124.68 1r57 s ALA 22 Ca 0.47 0.95 0.23 0.00 0.00 0.00 0.00 51.96 53.61 1r57 s ALA 22 Cb 0.34 -3.53 -0.01 0.00 0.00 0.00 0.00 23.12 19.92 1r57 s ALA 22 CO -0.15 -0.67 0.99 1.28 0.00 0.00 0.00 175.76 177.22 1r57 n LEU 23 N 4.45 0.71 -3.15 0.00 4.77 -0.60 -4.81 117.00 118.37 1r57 n LEU 23 Ca 0.11 0.25 0.04 0.00 -0.03 0.00 0.00 56.01 56.38 1r57 n LEU 23 Cb 0.44 -0.06 -0.01 0.00 -2.33 0.00 0.00 43.42 41.45 1r57 n LEU 23 CO 0.58 -0.13 0.20 0.00 -1.33 0.00 0.00 177.39 176.70 1r57 s ALA 24 N -3.35 -2.41 -0.01 -1.18 0.00 -0.52 -1.56 121.76 112.72 1r57 s ALA 24 Ca -0.01 1.74 0.06 0.00 0.00 0.00 0.00 51.96 53.75 1r57 s ALA 24 Cb 0.11 -2.24 -0.01 0.00 0.00 0.00 0.00 23.12 20.97 1r57 s ALA 24 CO 0.80 -1.39 -0.19 -1.83 0.00 0.00 0.00 175.76 173.15 1r57 s GLU 25 N 2.87 1.52 -0.04 0.00 1.03 -1.04 -0.55 118.70 122.49 1r57 s GLU 25 Ca 0.18 -0.68 0.02 0.00 0.03 0.00 0.00 54.97 54.52 1r57 s GLU 25 Cb -0.14 -1.48 0.01 0.00 -0.80 0.00 0.00 34.13 31.72 1r57 s GLU 25 CO -0.20 0.40 -0.10 -1.50 -1.33 0.00 0.00 175.26 172.53 1r57 s ILE 26 N -0.46 0.93 -0.07 1.83 2.07 -0.25 -0.71 121.20 124.53 1r57 s ILE 26 Ca 0.07 -0.41 0.01 0.00 -1.41 0.00 0.00 60.65 58.91 1r57 s ILE 26 Cb -0.07 -0.84 -0.03 0.00 0.13 0.00 0.00 42.46 41.65 1r57 s ILE 26 CO -0.01 0.29 -0.07 0.42 -1.91 0.00 0.00 174.94 173.66 1r57 s THR 27 N 0.39 3.65 -0.27 4.00 -4.23 -0.23 -1.39 115.64 117.57 1r57 s THR 27 Ca -0.07 -0.49 -0.02 0.00 -1.18 0.00 0.00 61.69 59.92 1r57 s THR 27 Cb -0.12 -2.50 0.09 0.00 1.34 0.00 0.00 72.50 71.31 1r57 s THR 27 CO 0.02 0.59 0.07 -0.72 -0.54 0.00 0.00 174.62 174.04 1r57 s TYR 28 N -0.69 1.39 0.26 3.99 1.13 0.82 -2.79 117.35 121.44 1r57 s TYR 28 Ca 0.11 -1.37 0.10 0.00 -1.41 0.00 0.00 57.07 54.50 1r57 s TYR 28 Cb -0.11 -1.41 -0.04 0.00 -1.10 0.00 0.00 41.96 39.30 1r57 s TYR 28 CO 0.02 -0.78 -0.06 1.03 -2.51 0.00 0.00 175.55 173.25 1r57 s ARG 29 N 1.73 2.13 -0.07 -3.49 0.52 -0.28 -4.74 118.95 114.75 1r57 s ARG 29 Ca 0.05 -1.47 -0.26 0.00 -0.52 0.00 0.00 55.73 53.53 1r57 s ARG 29 Cb -0.17 -2.08 -0.03 0.00 0.52 0.00 0.00 34.95 33.19 1r57 s ARG 29 CO -0.20 0.37 0.84 -0.06 0.02 0.00 0.00 175.30 176.26 1r57 s PHE 30 N -2.28 3.56 -0.61 -0.53 0.40 -1.26 -0.15 117.98 117.11 1r57 s PHE 30 Ca 0.30 1.41 0.20 0.00 -0.60 0.00 0.00 56.93 58.24 1r57 s PHE 30 Cb -0.06 -2.97 -0.25 0.00 0.51 0.00 0.00 43.02 40.24 1r57 s PHE 30 CO 0.18 -0.04 0.70 1.33 0.70 0.00 0.00 175.22 178.10 1r57 n VAL 31 N 4.09 0.00 -3.92 -0.44 0.24 -0.49 -4.89 118.33 112.92 1r57 n VAL 31 Ca 0.03 -0.19 -0.10 0.00 -2.04 0.00 0.00 64.34 62.04 1r57 n VAL 31 Cb 0.50 0.65 -0.01 0.00 -1.47 0.00 0.00 33.84 33.52 1r57 n VAL 31 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1r57 s ASP 32 N -3.41 0.24 0.33 -1.34 2.15 -0.61 -4.97 116.67 109.06 1r57 s ASP 32 Ca 0.02 -1.17 0.08 0.00 0.43 0.00 0.00 52.55 51.92 1r57 s ASP 32 Cb 0.14 0.75 0.59 0.00 -0.30 0.00 0.00 42.92 44.11 1r57 s ASP 32 CO 0.83 -1.47 1.79 0.78 -0.17 0.00 0.00 175.17 176.93 1r57 h ASN 33 N 2.06 0.21 0.00 -0.34 2.35 -2.02 -3.17 115.58 114.67 1r57 h ASN 33 Ca -0.29 -0.07 0.00 0.00 -0.55 0.00 0.00 56.30 55.39 1r57 h ASN 33 Cb 1.25 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 39.56 1r57 h ASN 33 CO 0.37 0.52 -0.06 -0.46 -1.65 0.00 0.00 177.43 176.16 1r57 n ASN 34 N -4.11 1.68 -4.00 5.81 6.94 -1.26 -5.01 115.26 115.31 1r57 n ASN 34 Ca -0.01 -2.31 -0.23 0.00 -0.02 0.00 0.00 54.58 52.00 1r57 n ASN 34 Cb 0.40 -0.19 -0.16 0.00 -2.36 0.00 0.00 39.78 37.47 1r57 n ASN 34 CO 0.00 0.00 0.00 -1.61 -1.03 0.00 0.00 177.26 174.62 1r57 s GLU 35 N -1.50 1.46 0.17 -3.83 2.02 -1.20 -0.59 118.70 115.23 1r57 s GLU 35 Ca 0.12 -0.34 0.10 0.00 0.02 0.00 0.00 54.97 54.87 1r57 s GLU 35 Cb 0.11 -1.25 -0.04 0.00 0.10 0.00 0.00 34.13 33.05 1r57 s GLU 35 CO 0.01 0.01 -0.22 0.96 0.02 0.00 0.00 175.26 176.05 1r57 s ILE 36 N 0.67 2.09 0.09 -1.63 -4.36 0.17 -1.40 121.20 116.83 1r57 s ILE 36 Ca -0.13 -1.93 0.07 0.00 -0.26 0.00 0.00 60.65 58.41 1r57 s ILE 36 Cb -0.15 -1.96 -0.03 0.00 1.25 0.00 0.00 42.46 41.57 1r57 s ILE 36 CO 0.03 -0.18 -0.19 0.54 0.24 0.00 0.00 174.94 175.38 1r57 s ASN 37 N -2.56 2.35 -0.40 4.36 6.03 0.79 -1.70 114.94 123.81 1r57 s ASN 37 Ca 0.17 -0.66 -0.15 0.00 -1.03 0.00 0.00 52.86 51.19 1r57 s ASN 37 Cb -0.07 -0.12 0.02 0.00 -3.03 0.00 0.00 41.25 38.04 1r57 s ASN 37 CO 0.08 0.03 0.29 -0.63 -2.03 0.00 0.00 177.10 174.85 1r57 s ILE 38 N -1.17 5.24 -0.03 0.54 1.09 -0.76 -1.13 121.20 124.98 1r57 s ILE 38 Ca 0.05 -0.64 -0.03 0.00 -1.10 0.00 0.00 60.65 58.93 1r57 s ILE 38 Cb -0.10 -3.91 -0.02 0.00 -1.06 0.00 0.00 42.46 37.38 1r57 s ILE 38 CO 0.04 -0.29 0.23 0.44 -0.10 0.00 0.00 174.94 175.26 1r57 h ASP 39 N 8.62 -0.10 -4.02 3.58 3.32 -1.86 -0.69 116.42 125.26 1r57 h ASP 39 Ca -0.27 0.00 -0.69 0.00 0.02 0.00 0.00 57.03 56.09 1r57 h ASP 39 Cb 1.12 0.02 -0.26 0.00 0.22 0.00 0.00 39.33 40.43 1r57 h ASP 39 CO 0.72 0.12 -0.81 -2.28 -1.72 0.00 0.00 179.24 175.27 1r57 s HIS 40 N -1.82 2.61 -0.36 4.55 2.46 -1.26 -3.70 115.29 117.77 1r57 s HIS 40 Ca -0.02 -0.37 0.01 0.00 0.47 0.00 0.00 55.06 55.15 1r57 s HIS 40 Cb 0.00 -1.63 0.14 0.00 -0.13 0.00 0.00 32.58 30.96 1r57 s HIS 40 CO 0.05 0.02 0.23 0.99 -2.47 0.00 0.00 174.74 173.56 1r57 s THR 41 N -0.46 0.15 -0.98 0.89 2.01 -1.25 -1.06 115.64 114.94 1r57 s THR 41 Ca 0.05 -1.81 -0.03 0.00 0.31 0.00 0.00 61.69 60.21 1r57 s THR 41 Cb -0.12 -1.12 0.27 0.00 0.01 0.00 0.00 72.50 71.55 1r57 s THR 41 CO 0.02 -1.01 1.12 0.61 -0.69 0.00 0.00 174.62 174.66 1r57 n GLY 42 N 3.89 4.66 3.41 4.40 0.00 0.11 -4.84 105.19 116.82 1r57 n GLY 42 Ca 0.14 -2.65 -0.44 0.00 0.00 0.00 0.00 46.02 43.07 1r57 n GLY 42 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1r57 s VAL 43 N -2.09 4.87 0.11 1.61 1.01 -1.26 -2.51 120.40 122.14 1r57 s VAL 43 Ca 0.32 -0.77 -0.31 0.00 0.00 0.00 0.00 61.98 61.22 1r57 s VAL 43 Cb 0.00 -4.38 -0.09 0.00 0.00 0.00 0.00 36.38 31.91 1r57 s VAL 43 CO -0.01 -0.95 1.64 -0.44 0.00 0.00 0.00 175.10 175.35 1r57 s SER 44 N 3.14 6.57 0.00 3.32 0.01 -0.60 -4.87 113.70 121.27 1r57 s SER 44 Ca 0.13 2.57 0.28 0.00 1.31 0.00 0.00 55.95 60.23 1r57 s SER 44 Cb -0.22 -2.57 0.98 0.00 0.21 0.00 0.00 66.02 64.42 1r57 s SER 44 CO 0.09 -0.88 1.70 -0.90 0.41 0.00 0.00 173.24 173.66 1r57 n ASP 45 N 5.00 0.88 0.23 2.44 5.75 -1.26 -3.44 116.55 126.15 1r57 n ASP 45 Ca 0.15 -0.87 0.16 0.00 -0.01 0.00 0.00 54.79 54.22 1r57 n ASP 45 Cb 0.39 0.04 0.76 0.00 -1.03 0.00 0.00 41.12 41.29 1r57 n ASP 45 CO 0.00 0.00 0.00 -0.08 -0.11 0.00 0.00 177.20 177.01 1r57 h GLU 46 N 1.12 0.00 0.00 0.11 4.22 -1.97 -2.07 114.58 116.00 1r57 h GLU 46 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 1r57 h GLU 46 Cb 0.44 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.69 1r57 h GLU 46 CO 0.00 0.00 0.00 1.28 -2.18 0.00 0.00 179.01 178.11 1r57 n LEU 47 N -2.66 0.00 0.00 1.64 4.77 -1.22 -4.97 117.00 114.56 1r57 n LEU 47 Ca -0.01 0.49 0.00 0.00 -0.03 0.00 0.00 56.01 56.46 1r57 n LEU 47 Cb 0.15 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 40.75 1r57 n LEU 47 CO 0.19 -0.26 0.00 0.61 -1.33 0.00 0.00 177.39 176.60 1r57 n GLY 48 N -0.08 0.94 2.02 -0.72 0.00 -0.78 -4.21 105.19 102.36 1r57 n GLY 48 Ca 0.03 -1.30 -0.14 0.00 0.00 0.00 0.00 46.02 44.62 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 0.00 3.87 3.62 -0.02 0.00 -1.26 -4.90 105.19 106.50 1r57 n GLY 49 Ca 0.00 -0.94 -0.41 0.00 0.00 0.00 0.00 46.02 44.66 1r57 n GLY 49 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1r57 s GLN 50 N -2.87 4.02 -0.56 1.61 -0.21 -1.26 -4.95 119.66 115.44 1r57 s GLN 50 Ca 0.51 0.55 -0.07 0.00 0.02 0.00 0.00 55.36 56.37 1r57 s GLN 50 Cb 0.42 -3.69 -0.21 0.00 1.00 0.00 0.00 33.01 30.53 1r57 s GLN 50 CO 0.11 -0.55 3.40 0.41 -2.12 0.00 0.00 175.29 176.55 1r57 n GLY 51 N 4.18 3.43 0.31 3.09 0.00 -1.26 -4.56 105.19 110.39 1r57 n GLY 51 Ca 0.01 -1.31 -0.04 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 2.34 1.21 -0.58 1.61 2.07 -1.95 -2.03 116.25 118.92 1r57 h VAL 52 Ca 0.43 -0.39 0.00 0.00 0.82 0.00 0.00 66.70 67.56 1r57 h VAL 52 Cb 1.09 0.02 -0.03 0.00 -1.52 0.00 0.00 31.29 30.86 1r57 h VAL 52 CO 0.77 0.20 0.37 1.23 0.02 0.00 0.00 177.57 180.16 1r57 h GLY 53 N 1.10 0.83 1.08 2.17 0.00 -1.94 -1.17 103.07 105.13 1r57 h GLY 53 Ca 0.30 -0.32 -0.09 0.00 0.00 0.00 0.00 47.33 47.21 1r57 h GLY 53 CO -0.06 0.31 0.04 1.70 0.00 0.00 0.00 176.54 178.53 1r57 h LYS 54 N 0.79 1.10 -0.44 4.80 3.64 -1.85 -0.58 116.57 124.02 1r57 h LYS 54 Ca 0.21 -0.33 -0.08 0.00 -1.27 0.00 0.00 60.65 59.18 1r57 h LYS 54 Cb -0.06 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.63 1r57 h LYS 54 CO -0.04 1.05 -0.02 0.87 -2.27 0.00 0.00 179.45 179.03 1r57 h LYS 55 N 1.01 0.80 -0.24 1.90 1.57 -1.07 0.22 116.57 120.75 1r57 h LYS 55 Ca 0.19 -0.26 -0.03 0.00 -1.87 0.00 0.00 60.65 58.67 1r57 h LYS 55 Cb 0.53 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.76 1r57 h LYS 55 CO 0.03 0.87 0.04 -0.07 -0.57 0.00 0.00 179.45 179.74 1r57 h LEU 56 N 0.64 0.39 -1.04 2.94 3.38 -1.12 -2.92 115.31 117.58 1r57 h LEU 56 Ca 0.12 -0.26 -0.07 0.00 0.09 0.00 0.00 57.88 57.76 1r57 h LEU 56 Cb 0.52 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 1r57 h LEU 56 CO 0.03 0.55 -0.08 0.25 0.09 0.00 0.00 178.44 179.28 1r57 h LEU 57 N 0.21 0.58 -0.25 1.67 5.85 -0.97 -2.86 115.31 119.54 1r57 h LEU 57 Ca 0.07 -0.14 0.04 0.00 0.84 0.00 0.00 57.88 58.69 1r57 h LEU 57 Cb 0.33 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.16 1r57 h LEU 57 CO 0.00 0.70 -0.01 0.50 -0.34 0.00 0.00 178.44 179.29 1r57 h LYS 58 N 0.56 0.06 -0.89 1.25 3.64 -0.42 0.15 116.57 120.92 1r57 h LYS 58 Ca 0.11 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 1r57 h LYS 58 Cb 0.47 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.24 1r57 h LYS 58 CO 0.03 0.04 0.56 0.00 -2.27 0.00 0.00 179.45 177.80 1r57 h ALA 59 N 1.23 1.31 -0.27 5.00 0.00 -1.33 0.27 119.26 125.46 1r57 h ALA 59 Ca 0.12 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1r57 h ALA 59 Cb 0.16 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1r57 h ALA 59 CO -0.22 0.61 0.10 0.28 0.00 0.00 0.00 179.25 180.03 1r57 h VAL 60 N 1.22 1.19 -0.71 0.00 2.07 -1.14 -0.42 116.25 118.45 1r57 h VAL 60 Ca 0.32 -0.58 -0.07 0.00 0.82 0.00 0.00 66.70 67.19 1r57 h VAL 60 Cb -0.09 1.06 -0.03 0.00 -1.52 0.00 0.00 31.29 30.71 1r57 h VAL 60 CO -0.06 0.19 0.17 0.58 0.02 0.00 0.00 177.57 178.47 1r57 h VAL 61 N 0.28 1.26 -0.63 2.57 2.07 -0.11 0.79 116.25 122.49 1r57 h VAL 61 Ca 0.09 -0.98 0.01 0.00 0.82 0.00 0.00 66.70 66.64 1r57 h VAL 61 Cb 0.21 0.54 -0.03 0.00 -1.52 0.00 0.00 31.29 30.48 1r57 h VAL 61 CO -0.01 0.38 0.41 -0.33 0.02 0.00 0.00 177.57 178.04 1r57 h GLU 62 N 1.07 0.81 -0.68 1.57 5.08 -0.33 0.30 114.58 122.41 1r57 h GLU 62 Ca 0.22 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.49 1r57 h GLU 62 Cb 0.38 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.41 1r57 h GLU 62 CO 0.00 0.54 0.24 1.25 -1.00 0.00 0.00 179.01 180.04 1r57 h HIS 63 N 0.84 1.08 -0.26 4.33 2.76 -0.57 -1.25 115.15 122.08 1r57 h HIS 63 Ca 0.23 -0.10 -0.05 0.00 -2.20 0.00 0.00 60.37 58.26 1r57 h HIS 63 Cb -0.08 -0.32 -0.01 0.00 1.55 0.00 0.00 27.41 28.56 1r57 h HIS 63 CO -0.03 0.85 -0.02 0.00 -1.30 0.00 0.00 177.93 177.43 1r57 h ALA 64 N 1.11 0.35 -0.31 5.26 0.00 -0.37 -0.53 119.26 124.77 1r57 h ALA 64 Ca 0.22 -0.24 0.05 0.00 0.00 0.00 0.00 54.91 54.94 1r57 h ALA 64 Cb 0.26 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 1r57 h ALA 64 CO -0.01 0.10 0.05 -0.09 0.00 0.00 0.00 179.25 179.30 1r57 h ARG 65 N 0.24 0.15 -0.27 0.00 9.65 -0.22 0.45 114.38 124.37 1r57 h ARG 65 Ca 0.07 -0.01 -0.04 0.00 -1.10 0.00 0.00 59.98 58.90 1r57 h ARG 65 Cb 0.45 -0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 28.99 1r57 h ARG 65 CO 0.02 0.10 -0.00 1.49 2.80 0.00 0.00 179.97 184.37 1r57 h GLU 66 N 0.15 0.48 -0.05 0.20 4.57 -1.16 -3.00 114.58 115.77 1r57 h GLU 66 Ca 0.14 -0.15 0.00 0.00 -1.18 0.00 0.00 59.36 58.17 1r57 h GLU 66 Cb 0.17 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 28.71 1r57 h GLU 66 CO -0.20 0.64 0.00 0.09 -1.18 0.00 0.00 179.01 178.36 1r57 n ASN 67 N -4.60 0.92 -2.19 1.04 5.03 -0.22 -4.89 115.26 110.35 1r57 n ASN 67 Ca -0.03 -1.41 -0.17 0.00 0.87 0.00 0.00 54.58 53.83 1r57 n ASN 67 Cb 0.25 -0.03 0.01 0.00 -1.02 0.00 0.00 39.78 39.00 1r57 n ASN 67 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 1r57 n ASN 68 N -0.24 -5.05 -4.82 6.41 5.03 0.79 -4.98 115.26 112.39 1r57 n ASN 68 Ca 0.19 -0.14 -0.35 0.00 0.87 0.00 0.00 54.58 55.14 1r57 n ASN 68 Cb 0.24 -4.01 -0.06 0.00 -1.02 0.00 0.00 39.78 34.93 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 -5.10 4.31 -0.07 3.41 1.43 0.12 -4.86 118.68 117.92 1r57 s LEU 69 Ca 0.14 1.33 -0.11 0.00 -1.03 0.00 0.00 54.13 54.46 1r57 s LEU 69 Cb -0.06 -3.58 -0.05 0.00 0.03 0.00 0.00 46.19 42.53 1r57 s LEU 69 CO 0.17 0.02 0.28 -0.54 0.23 0.00 0.00 176.35 176.51 1r57 s LYS 70 N -2.09 3.73 -0.22 1.70 3.01 0.24 -4.56 119.74 121.55 1r57 s LYS 70 Ca 0.43 0.14 -0.05 0.00 -1.01 0.00 0.00 55.97 55.48 1r57 s LYS 70 Cb -0.16 -3.22 -0.02 0.00 -1.01 0.00 0.00 37.83 33.42 1r57 s LYS 70 CO 0.20 0.70 0.01 0.42 0.51 0.00 0.00 175.35 177.18 1r57 s ILE 71 N -0.93 3.88 -0.26 2.17 1.01 -0.16 -0.66 121.20 126.25 1r57 s ILE 71 Ca 0.19 -0.33 0.02 0.00 0.00 0.00 0.00 60.65 60.53 1r57 s ILE 71 Cb -0.14 -2.78 0.07 0.00 0.01 0.00 0.00 42.46 39.62 1r57 s ILE 71 CO 0.08 0.40 -0.05 0.27 0.00 0.00 0.00 174.94 175.65 1r57 s ILE 72 N 1.30 1.76 -0.43 2.92 -4.36 -0.69 -3.79 121.20 117.92 1r57 s ILE 72 Ca 0.04 -1.47 -0.24 0.00 -0.26 0.00 0.00 60.65 58.72 1r57 s ILE 72 Cb -0.15 -2.02 0.02 0.00 1.25 0.00 0.00 42.46 41.56 1r57 s ILE 72 CO 0.01 -0.16 0.84 0.00 0.24 0.00 0.00 174.94 175.87 1r57 s ALA 73 N 1.27 3.31 0.09 2.27 0.00 -1.26 -1.83 121.76 125.61 1r57 s ALA 73 Ca -0.04 -0.82 -0.14 0.00 0.00 0.00 0.00 51.96 50.95 1r57 s ALA 73 Cb -0.19 -3.51 -0.14 0.00 0.00 0.00 0.00 23.12 19.28 1r57 s ALA 73 CO -0.07 -1.86 1.32 1.03 0.00 0.00 0.00 175.76 176.19 1r57 h SER 74 N 8.88 0.83 -2.45 0.00 0.87 -1.45 -3.40 113.55 116.81 1r57 h SER 74 Ca -0.24 -0.58 -0.55 0.00 -1.23 0.00 0.00 61.79 59.18 1r57 h SER 74 Cb 1.08 -0.24 -0.00 0.00 -0.44 0.00 0.00 62.40 62.80 1r57 h SER 74 CO 0.97 1.26 1.22 0.00 -0.53 0.00 0.00 176.83 179.76 1r57 h SER 76 N 11.15 0.00 0.00 0.00 0.02 -1.92 0.19 113.55 122.99 1r57 h SER 76 Ca -0.42 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.53 1r57 h SER 76 Cb 1.20 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.74 1r57 h SER 76 CO 0.96 0.00 -0.00 0.15 -1.14 0.00 0.00 176.83 176.80 1r57 h PHE 77 N 0.00 -0.00 -0.03 3.45 3.57 -1.89 -2.37 116.94 119.66 1r57 h PHE 77 Ca 0.00 -0.00 -0.19 0.00 3.53 0.00 0.00 57.97 61.31 1r57 h PHE 77 Cb 0.20 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.93 1r57 h PHE 77 CO 0.00 0.39 -0.79 0.00 -2.23 0.00 0.00 178.31 175.68 1r57 h ALA 78 N 0.60 0.59 0.07 2.41 0.00 -1.72 -3.28 119.26 117.94 1r57 h ALA 78 Ca -0.00 -0.66 0.02 0.00 0.00 0.00 0.00 54.91 54.28 1r57 h ALA 78 Cb 0.39 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.07 1r57 h ALA 78 CO 0.00 0.83 -0.42 -0.22 0.00 0.00 0.00 179.25 179.45 1r57 h LYS 79 N 0.17 -0.59 0.00 0.00 3.64 -0.62 -1.91 116.57 117.26 1r57 h LYS 79 Ca -0.04 0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 1r57 h LYS 79 Cb 1.38 0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 33.34 1r57 h LYS 79 CO 0.13 -0.40 -0.07 0.45 -2.27 0.00 0.00 179.45 177.29 1r57 h HIS 80 N -0.62 0.00 -0.12 1.91 3.86 -1.53 -2.09 115.15 116.56 1r57 h HIS 80 Ca 0.03 0.00 -0.19 0.00 -1.16 0.00 0.00 60.37 59.05 1r57 h HIS 80 Cb 0.67 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.14 1r57 h HIS 80 CO -0.39 0.07 -0.71 1.98 0.86 0.00 0.00 177.93 179.74 1r57 h MET 81 N 0.00 0.56 0.00 2.45 1.85 -1.46 -3.14 114.93 115.19 1r57 h MET 81 Ca -0.00 -0.44 -0.12 0.00 -0.61 0.00 0.00 59.70 58.53 1r57 h MET 81 Cb 0.50 0.08 -0.02 0.00 0.43 0.00 0.00 31.60 32.60 1r57 h MET 81 CO 0.01 1.06 -0.57 -0.07 -0.40 0.00 0.00 176.91 176.94 1r57 h LEU 82 N 0.39 0.00 -0.43 3.39 3.38 -0.68 -3.08 115.31 118.28 1r57 h LEU 82 Ca -0.03 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.81 1r57 h LEU 82 Cb 1.30 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.04 1r57 h LEU 82 CO 0.13 0.57 -0.24 -0.33 0.09 0.00 0.00 178.44 178.66 1r57 h GLU 83 N 0.00 0.92 0.10 1.13 5.08 -1.43 -3.34 114.58 117.04 1r57 h GLU 83 Ca -0.01 -0.42 -0.26 0.00 -1.00 0.00 0.00 59.36 57.68 1r57 h GLU 83 Cb 1.04 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.27 1r57 h GLU 83 CO 0.07 1.08 -1.32 0.87 -1.00 0.00 0.00 179.01 178.71 1r57 h LYS 84 N 0.75 0.21 -5.67 2.33 1.79 -1.57 -3.45 116.57 110.96 1r57 h LYS 84 Ca 0.09 -0.36 -0.60 0.00 -2.18 0.00 0.00 60.65 57.59 1r57 h LYS 84 Cb 0.82 0.13 -0.10 0.00 -1.58 0.00 0.00 32.23 31.50 1r57 h LYS 84 CO 0.07 1.17 0.32 -2.00 -1.08 0.00 0.00 179.45 177.93 1r57 s GLU 85 N -2.45 4.06 0.51 3.15 2.12 -1.17 -4.92 118.70 120.00 1r57 s GLU 85 Ca -0.20 0.64 0.24 0.00 0.36 0.00 0.00 54.97 56.01 1r57 s GLU 85 Cb 0.04 -3.68 1.37 0.00 0.26 0.00 0.00 34.13 32.12 1r57 s GLU 85 CO 0.75 -0.55 2.07 0.38 -0.54 0.00 0.00 175.26 177.37 1r57 h ASP 86 N 7.94 0.00 0.03 -1.70 2.03 -1.87 -1.49 116.42 121.37 1r57 h ASP 86 Ca -0.25 0.00 -0.00 0.00 -0.73 0.00 0.00 57.03 56.05 1r57 h ASP 86 Cb 1.11 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 39.61 1r57 h ASP 86 CO 0.84 0.13 -0.01 -1.28 -1.03 0.00 0.00 179.24 177.88 1r57 h SER 87 N 0.00 0.00 0.00 4.15 0.87 -1.93 -1.79 113.55 114.84 1r57 h SER 87 Ca -0.00 0.00 -0.10 0.00 -1.23 0.00 0.00 61.79 60.46 1r57 h SER 87 Cb 0.30 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.24 1r57 h SER 87 CO 0.02 0.01 -2.08 -1.22 -0.53 0.00 0.00 176.83 173.02 1r57 n TYR 88 N -3.77 0.00 0.39 2.24 4.01 -0.59 -4.40 117.16 115.04 1r57 n TYR 88 Ca -0.03 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 57.83 1r57 n TYR 88 Cb 0.09 -0.63 0.49 0.00 -0.31 0.00 0.00 39.34 38.98 1r57 n TYR 88 CO 0.00 0.00 0.00 0.94 -0.46 0.00 0.00 176.86 177.34 1r57 n GLN 89 N -2.38 0.18 -0.34 -0.72 7.27 -0.68 -2.36 117.38 118.36 1r57 n GLN 89 Ca -0.12 0.43 -0.03 0.00 0.07 0.00 0.00 57.00 57.34 1r57 n GLN 89 Cb 0.72 -1.86 0.09 0.00 2.41 0.00 0.00 30.24 31.60 1r57 n GLN 89 CO 0.00 0.00 0.00 0.22 0.07 0.00 0.00 177.06 177.35 1r57 h ASP 90 N 0.00 1.08 -0.38 1.69 3.58 -1.75 -2.61 116.42 118.02 1r57 h ASP 90 Ca 0.00 -0.06 0.00 0.00 0.42 0.00 0.00 57.03 57.39 1r57 h ASP 90 Cb 0.34 -0.27 0.00 0.00 1.72 0.00 0.00 39.33 41.12 1r57 h ASP 90 CO 0.00 0.82 0.00 1.33 -2.88 0.00 0.00 179.24 178.51 1r57 n VAL 91 N -4.40 0.76 -3.86 2.25 0.24 -1.00 -4.95 118.33 107.36 1r57 n VAL 91 Ca 0.10 -0.88 -0.36 0.00 -2.04 0.00 0.00 64.34 61.16 1r57 n VAL 91 Cb 0.05 0.70 -0.07 0.00 -1.47 0.00 0.00 33.84 33.05 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 -1.08 3.50 -0.01 6.34 5.04 -0.98 -0.99 117.35 129.18 1r57 s TYR 92 Ca 0.30 0.43 -0.00 0.00 -2.44 0.00 0.00 57.07 55.36 1r57 s TYR 92 Cb 0.16 -2.01 -0.00 0.00 0.35 0.00 0.00 41.96 40.47 1r57 s TYR 92 CO 0.22 0.56 -0.00 -0.07 -1.34 0.00 0.00 175.55 174.92 1r57 h LEU 93 N 5.59 0.00 0.00 6.97 4.07 -1.83 -3.46 115.31 126.65 1r57 h LEU 93 Ca -0.50 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.46 1r57 h LEU 93 Cb 1.20 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.94 1r57 h LEU 93 CO 0.64 0.03 0.00 0.61 -1.08 0.00 0.00 178.44 178.64 1r57 n GLY 94 N 1.96 2.69 1.55 0.83 0.00 -1.26 -4.97 105.19 105.99 1r57 n GLY 94 Ca -0.00 -0.12 -0.09 0.00 0.00 0.00 0.00 46.02 45.82 1r57 n GLY 94 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1r57 n LEU 95 N 0.00 5.11 0.00 0.99 4.77 -1.26 -4.71 117.00 121.90 1r57 n LEU 95 Ca 0.00 -3.57 0.00 0.00 -0.03 0.00 0.00 56.01 52.41 1r57 n LEU 95 Cb 0.00 -0.70 0.00 0.00 -2.33 0.00 0.00 43.42 40.39 1r57 n LEU 95 CO 0.00 1.07 0.00 1.21 -1.33 0.00 0.00 177.39 178.34 1r57 n GLU 96 N -0.93 0.00 -3.52 3.23 2.13 -1.26 -5.10 120.64 115.19 1r57 n GLU 96 Ca 0.40 0.00 -0.22 0.00 0.66 0.00 0.00 57.16 58.00 1r57 n GLU 96 Cb 1.25 0.00 -0.14 0.00 0.27 0.00 0.00 31.44 32.82 1r57 n GLU 96 CO 0.00 0.00 0.00 -1.01 -0.41 0.00 0.00 177.13 175.71 1r57 s HIS 97 N -0.11 -0.07 -1.50 4.31 3.76 -1.26 -4.91 115.29 115.50 1r57 s HIS 97 Ca 0.00 -0.16 0.13 0.00 -0.15 0.00 0.00 55.06 54.88 1r57 s HIS 97 Cb 0.00 -0.56 0.13 0.00 1.11 0.00 0.00 32.58 33.27 1r57 s HIS 97 CO 0.00 -0.65 0.95 1.58 -0.85 0.00 0.00 174.74 175.77 1r57 n HIS 98 N 5.30 0.07 -3.56 1.40 -0.00 -1.26 -5.00 115.22 112.17 1r57 n HIS 98 Ca -0.06 -0.07 -0.06 0.00 0.46 0.00 0.00 57.72 57.99 1r57 n HIS 98 Cb 0.48 -0.00 -0.02 0.00 -0.12 0.00 0.00 29.99 30.32 1r57 n HIS 98 CO 0.00 0.00 0.00 -3.38 0.46 0.00 0.00 176.34 173.42 1r57 s HIS 99 N -1.04 -0.23 0.00 1.57 -3.43 -1.26 -5.11 115.29 105.79 1r57 s HIS 99 Ca 0.16 0.15 0.00 0.00 -0.80 0.00 0.00 55.06 54.57 1r57 s HIS 99 Cb 0.11 0.52 0.00 0.00 -1.43 0.00 0.00 32.58 31.78 1r57 s HIS 99 CO 0.16 -0.35 0.00 1.58 -2.00 0.00 0.00 174.74 174.13 1r57 n HIS 100 N -0.13 0.00 0.00 0.38 -0.00 -1.26 -4.94 115.22 109.27 1r57 n HIS 100 Ca -0.04 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.14 1r57 n HIS 100 Cb 0.60 -0.04 0.00 0.00 -0.12 0.00 0.00 29.99 30.43 1r57 n HIS 100 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 1r57 n HIS 101 N -0.85 0.00 -0.26 1.57 -0.00 -1.26 -5.15 115.22 109.26 1r57 n HIS 101 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 1r57 n HIS 101 Cb 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 29.87 1r57 n HIS 101 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52