#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 6.40 0.01 7.83 0.01 -1.26 -4.93 113.70 121.75 1r57 s SER 2 Ca 0.00 0.39 -0.00 0.00 1.31 0.00 0.00 55.95 57.65 1r57 s SER 2 Cb 0.00 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.68 1r57 s SER 2 CO 0.00 -1.47 0.01 -3.20 0.41 0.00 0.00 173.24 168.99 1r57 n ASN 3 N 8.64 -0.03 -2.01 2.44 2.85 -1.26 -4.93 115.26 120.96 1r57 n ASN 3 Ca 0.12 -1.03 -0.21 0.00 -0.11 0.00 0.00 54.58 53.36 1r57 n ASN 3 Cb 0.49 0.05 -0.05 0.00 1.24 0.00 0.00 39.78 41.51 1r57 n ASN 3 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 1r57 n LEU 4 N 0.00 -1.73 0.00 1.20 4.32 -1.26 -4.97 117.00 114.56 1r57 n LEU 4 Ca -0.00 0.24 -0.14 0.00 -0.02 0.00 0.00 56.01 56.09 1r57 n LEU 4 Cb 0.01 -2.90 0.09 0.00 -1.62 0.00 0.00 43.42 39.01 1r57 n LEU 4 CO 0.00 -0.64 0.41 -0.62 -1.22 0.00 0.00 177.39 175.32 1r57 n GLU 5 N -2.70 -0.44 -2.51 3.23 1.02 -1.26 -4.97 120.64 113.00 1r57 n GLU 5 Ca -0.23 -1.11 -0.42 0.00 -0.02 0.00 0.00 57.16 55.38 1r57 n GLU 5 Cb 0.69 -0.61 -0.02 0.00 -0.02 0.00 0.00 31.44 31.47 1r57 n GLU 5 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1r57 s ILE 6 N -2.23 3.93 -0.33 -3.67 1.01 -1.26 -4.71 121.20 113.95 1r57 s ILE 6 Ca 0.37 0.82 -0.17 0.00 0.00 0.00 0.00 60.65 61.67 1r57 s ILE 6 Cb -0.01 -4.63 -0.01 0.00 0.01 0.00 0.00 42.46 37.82 1r57 s ILE 6 CO 0.26 -1.28 0.47 -0.54 0.00 0.00 0.00 174.94 173.84 1r57 s LYS 7 N 5.14 3.68 0.56 2.79 1.02 -1.00 -4.96 119.74 126.97 1r57 s LYS 7 Ca 0.46 -0.15 -0.14 0.00 0.02 0.00 0.00 55.97 56.15 1r57 s LYS 7 Cb -0.09 -3.78 -0.06 0.00 -0.52 0.00 0.00 37.83 33.38 1r57 s LYS 7 CO 0.25 -0.57 1.01 1.14 -0.92 0.00 0.00 175.35 176.26 1r57 s GLN 8 N 2.29 3.79 0.00 1.68 -2.07 -1.26 -0.52 119.66 123.56 1r57 s GLN 8 Ca 0.17 0.89 0.00 0.00 -1.82 0.00 0.00 55.36 54.60 1r57 s GLN 8 Cb -0.16 -2.11 0.00 0.00 -1.09 0.00 0.00 33.01 29.65 1r57 s GLN 8 CO 0.12 -0.41 0.00 0.41 -1.32 0.00 0.00 175.29 174.09 1r57 n GLY 9 N -1.97 2.64 3.56 2.60 0.00 0.36 -4.87 105.19 107.50 1r57 n GLY 9 Ca 0.06 -0.69 -0.15 0.00 0.00 0.00 0.00 46.02 45.25 1r57 n GLY 9 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1r57 n GLU 10 N 0.00 0.55 -1.84 1.61 0.28 -1.26 -2.91 120.64 117.06 1r57 n GLU 10 Ca 0.00 -0.75 -0.17 0.00 -0.16 0.00 0.00 57.16 56.08 1r57 n GLU 10 Cb 0.00 -3.51 -0.05 0.00 1.43 0.00 0.00 31.44 29.31 1r57 n GLU 10 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1r57 n ASN 11 N 17.76 -4.67 -3.62 -1.84 4.13 -1.26 -4.91 115.26 120.85 1r57 n ASN 11 Ca 0.48 0.29 -0.16 0.00 1.68 0.00 0.00 54.58 56.87 1r57 n ASN 11 Cb 0.42 -4.10 -0.07 0.00 -1.54 0.00 0.00 39.78 34.49 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 -4.05 0.88 -0.14 3.52 0.00 -1.15 -0.53 119.74 118.27 1r57 s LYS 12 Ca 0.00 0.25 -0.05 0.00 0.00 0.00 0.00 55.97 56.17 1r57 s LYS 12 Cb 0.00 0.41 -0.04 0.00 0.00 0.00 0.00 37.83 38.21 1r57 s LYS 12 CO 0.00 -0.24 0.03 -0.06 0.00 0.00 0.00 175.35 175.08 1r57 s PHE 13 N -0.93 3.22 0.05 1.78 0.08 -0.81 -0.49 117.98 120.89 1r57 s PHE 13 Ca -0.10 0.09 0.03 0.00 0.12 0.00 0.00 56.93 57.08 1r57 s PHE 13 Cb -0.02 -1.96 -0.03 0.00 -0.57 0.00 0.00 43.02 40.45 1r57 s PHE 13 CO 0.07 0.28 -0.09 1.52 -0.10 0.00 0.00 175.22 176.89 1r57 s TYR 14 N -0.15 0.81 -0.19 0.36 1.13 0.32 -0.39 117.35 119.23 1r57 s TYR 14 Ca 0.06 -0.52 0.01 0.00 -1.41 0.00 0.00 57.07 55.21 1r57 s TYR 14 Cb -0.12 -0.47 0.03 0.00 -1.10 0.00 0.00 41.96 40.30 1r57 s TYR 14 CO 0.02 -0.06 -0.13 0.42 -2.51 0.00 0.00 175.55 173.29 1r57 s ILE 15 N -1.54 1.74 0.00 -3.49 1.01 0.93 -2.39 121.20 117.47 1r57 s ILE 15 Ca -0.06 -0.94 0.00 0.00 0.00 0.00 0.00 60.65 59.64 1r57 s ILE 15 Cb -0.09 -1.72 0.00 0.00 0.01 0.00 0.00 42.46 40.66 1r57 s ILE 15 CO 0.00 0.30 0.00 0.61 0.00 0.00 0.00 174.94 175.86 1r57 n GLY 16 N 4.68 1.25 0.26 6.18 0.00 -1.26 -2.55 105.19 113.75 1r57 n GLY 16 Ca -0.16 -0.88 -0.03 0.00 0.00 0.00 0.00 46.02 44.95 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 0.57 -5.01 1.61 3.58 -2.00 -3.46 116.42 111.71 1r57 h ASP 17 Ca 0.00 -0.15 0.05 0.00 0.42 0.00 0.00 57.03 57.35 1r57 h ASP 17 Cb 0.00 -0.15 -0.06 0.00 1.72 0.00 0.00 39.33 40.83 1r57 h ASP 17 CO 0.00 0.71 0.20 -0.62 -2.88 0.00 0.00 179.24 176.65 1r57 s ASP 18 N -6.74 -0.30 0.48 2.28 2.15 -1.26 -5.00 116.67 108.28 1r57 s ASP 18 Ca -0.08 -0.53 0.27 0.00 0.43 0.00 0.00 52.55 52.64 1r57 s ASP 18 Cb 0.15 0.70 1.03 0.00 -0.30 0.00 0.00 42.92 44.49 1r57 s ASP 18 CO 0.79 -1.28 1.86 -0.33 -0.17 0.00 0.00 175.17 176.05 1r57 h GLU 19 N 2.02 0.00 -0.05 4.34 5.08 -1.97 0.97 114.58 124.97 1r57 h GLU 19 Ca -0.22 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.02 1r57 h GLU 19 Cb 1.26 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.50 1r57 h GLU 19 CO 0.26 0.14 -0.51 -0.97 -1.00 0.00 0.00 179.01 176.93 1r57 h ASN 20 N 0.00 0.13 -0.54 1.42 -0.73 -2.00 -3.03 115.58 110.83 1r57 h ASN 20 Ca -0.00 -0.07 -0.30 0.00 1.87 0.00 0.00 56.30 57.80 1r57 h ASN 20 Cb 0.69 -0.04 -0.18 0.00 0.27 0.00 0.00 38.32 39.06 1r57 h ASN 20 CO 0.02 0.62 0.07 0.59 -0.37 0.00 0.00 177.43 178.37 1r57 n ASN 21 N -3.93 3.16 -4.58 1.15 3.02 -0.66 -4.99 115.26 108.42 1r57 n ASN 21 Ca -0.02 -3.76 -0.41 0.00 -0.03 0.00 0.00 54.58 50.36 1r57 n ASN 21 Cb 0.54 -0.68 -0.03 0.00 -0.61 0.00 0.00 39.78 39.00 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 -3.32 2.59 0.16 5.41 0.00 0.25 -4.10 121.76 122.75 1r57 s ALA 22 Ca 0.49 0.06 -0.05 0.00 0.00 0.00 0.00 51.96 52.45 1r57 s ALA 22 Cb 0.43 -4.11 0.03 0.00 0.00 0.00 0.00 23.12 19.47 1r57 s ALA 22 CO 0.02 -3.09 1.45 -0.07 0.00 0.00 0.00 175.76 174.07 1r57 h LEU 23 N 14.90 0.69 -7.11 0.00 3.38 -1.77 -3.44 115.31 121.96 1r57 h LEU 23 Ca -0.32 -0.40 -0.05 0.00 0.09 0.00 0.00 57.88 57.21 1r57 h LEU 23 Cb 1.18 -0.20 -0.24 0.00 0.09 0.00 0.00 40.66 41.49 1r57 h LEU 23 CO 1.08 1.15 -0.16 0.00 0.09 0.00 0.00 178.44 180.60 1r57 s ALA 24 N -3.90 -1.47 0.01 1.53 0.00 -1.09 -0.28 121.76 116.55 1r57 s ALA 24 Ca -0.08 1.96 0.01 0.00 0.00 0.00 0.00 51.96 53.85 1r57 s ALA 24 Cb 0.11 -1.22 -0.01 0.00 0.00 0.00 0.00 23.12 22.00 1r57 s ALA 24 CO 0.86 -0.38 -0.03 -1.83 0.00 0.00 0.00 175.76 174.38 1r57 s GLU 25 N 1.67 0.22 -0.22 0.00 -1.05 -0.91 -0.05 118.70 118.35 1r57 s GLU 25 Ca -0.09 -0.25 0.01 0.00 -0.15 0.00 0.00 54.97 54.50 1r57 s GLU 25 Cb -0.07 -0.11 0.05 0.00 -0.44 0.00 0.00 34.13 33.56 1r57 s GLU 25 CO -0.16 0.02 -0.11 -1.50 0.95 0.00 0.00 175.26 174.46 1r57 s ILE 26 N -0.46 1.81 0.09 1.83 2.07 0.47 0.02 121.20 127.02 1r57 s ILE 26 Ca -0.04 -1.21 -0.19 0.00 -1.41 0.00 0.00 60.65 57.80 1r57 s ILE 26 Cb -0.04 -1.90 -0.07 0.00 0.13 0.00 0.00 42.46 40.59 1r57 s ILE 26 CO -0.00 0.11 0.58 0.42 -1.91 0.00 0.00 174.94 174.13 1r57 s THR 27 N 1.31 4.73 -0.04 4.00 -4.23 -1.05 -1.92 115.64 118.43 1r57 s THR 27 Ca -0.03 1.19 0.01 0.00 -1.18 0.00 0.00 61.69 61.68 1r57 s THR 27 Cb -0.17 -3.89 0.02 0.00 1.34 0.00 0.00 72.50 69.80 1r57 s THR 27 CO -0.07 0.51 -0.03 -0.72 -0.54 0.00 0.00 174.62 173.76 1r57 s TYR 28 N -1.16 0.68 0.36 3.99 1.13 0.31 -2.46 117.35 120.20 1r57 s TYR 28 Ca 0.30 -0.18 0.09 0.00 -1.41 0.00 0.00 57.07 55.87 1r57 s TYR 28 Cb -0.19 -0.64 -0.06 0.00 -1.10 0.00 0.00 41.96 39.97 1r57 s TYR 28 CO 0.19 -0.19 0.00 0.50 -2.51 0.00 0.00 175.55 173.54 1r57 s ARG 29 N 1.02 2.00 -0.45 -3.49 6.06 0.95 -4.77 118.95 120.27 1r57 s ARG 29 Ca -0.10 -1.89 -0.14 0.00 -2.50 0.00 0.00 55.73 51.11 1r57 s ARG 29 Cb -0.14 -1.81 0.06 0.00 0.06 0.00 0.00 34.95 33.12 1r57 s ARG 29 CO -0.01 0.07 0.35 -0.06 -2.50 0.00 0.00 175.30 173.16 1r57 s PHE 30 N -2.59 3.26 0.08 5.12 0.40 -1.26 -0.11 117.98 122.88 1r57 s PHE 30 Ca 0.35 -0.98 0.16 0.00 -0.60 0.00 0.00 56.93 55.86 1r57 s PHE 30 Cb 0.03 -3.03 0.41 0.00 0.51 0.00 0.00 43.02 40.94 1r57 s PHE 30 CO 0.19 -0.77 1.61 -0.39 0.70 0.00 0.00 175.22 176.55 1r57 h VAL 31 N 5.79 0.99 0.00 -0.44 -1.51 -1.79 -3.44 116.25 115.86 1r57 h VAL 31 Ca -0.27 -1.92 0.00 0.00 -1.23 0.00 0.00 66.70 63.28 1r57 h VAL 31 Cb 1.11 2.16 0.00 0.00 -2.13 0.00 0.00 31.29 32.43 1r57 h VAL 31 CO 0.83 0.47 0.00 -0.67 -1.23 0.00 0.00 177.57 176.97 1r57 n ASP 32 N -3.45 0.00 0.16 4.19 -0.08 -1.24 -5.06 116.55 111.07 1r57 n ASP 32 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1r57 n ASP 32 Cb 0.62 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.08 1r57 n ASP 32 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 1r57 n ASN 33 N -1.66 -2.82 -0.15 1.67 2.85 -1.26 -4.91 115.26 108.98 1r57 n ASN 33 Ca 0.00 0.71 0.13 0.00 -0.11 0.00 0.00 54.58 55.31 1r57 n ASN 33 Cb 0.00 2.76 0.36 0.00 1.24 0.00 0.00 39.78 44.15 1r57 n ASN 33 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 1r57 n ASN 34 N -3.22 0.80 -4.37 1.20 5.15 -1.26 -4.75 115.26 108.81 1r57 n ASN 34 Ca 0.00 -0.64 -0.37 0.00 -0.60 0.00 0.00 54.58 52.97 1r57 n ASN 34 Cb 0.00 0.14 -0.12 0.00 -0.53 0.00 0.00 39.78 39.26 1r57 n ASN 34 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 1r57 s GLU 35 N -2.66 3.18 -0.09 1.20 2.02 -1.26 -0.68 118.70 120.40 1r57 s GLU 35 Ca 0.21 -0.80 0.01 0.00 0.02 0.00 0.00 54.97 54.40 1r57 s GLU 35 Cb 0.19 -3.41 -0.02 0.00 0.10 0.00 0.00 34.13 30.99 1r57 s GLU 35 CO 0.57 -0.42 -0.11 0.96 0.02 0.00 0.00 175.26 176.28 1r57 s ILE 36 N 1.53 3.32 -0.08 -1.63 -4.36 -0.59 -2.07 121.20 117.32 1r57 s ILE 36 Ca 0.03 -0.60 -0.00 0.00 -0.26 0.00 0.00 60.65 59.82 1r57 s ILE 36 Cb -0.17 -2.37 -0.03 0.00 1.25 0.00 0.00 42.46 41.14 1r57 s ILE 36 CO 0.03 0.56 -0.05 0.54 0.24 0.00 0.00 174.94 176.26 1r57 s ASN 37 N -0.25 4.81 -0.64 4.36 4.22 0.84 -2.32 114.94 125.97 1r57 s ASN 37 Ca 0.02 0.01 -0.24 0.00 -2.14 0.00 0.00 52.86 50.50 1r57 s ASN 37 Cb -0.13 -1.33 0.05 0.00 1.28 0.00 0.00 41.25 41.12 1r57 s ASN 37 CO 0.03 0.34 1.04 -0.63 -2.04 0.00 0.00 177.10 175.84 1r57 s ILE 38 N -0.66 4.19 0.01 0.54 1.09 0.85 -0.03 121.20 127.19 1r57 s ILE 38 Ca 0.10 0.09 -0.07 0.00 -1.10 0.00 0.00 60.65 59.68 1r57 s ILE 38 Cb -0.12 -4.69 -0.04 0.00 -1.06 0.00 0.00 42.46 36.56 1r57 s ILE 38 CO 0.02 -1.43 1.10 0.44 -0.10 0.00 0.00 174.94 174.97 1r57 h ASP 39 N 9.58 -0.21 -4.55 3.58 3.32 -1.81 0.38 116.42 126.71 1r57 h ASP 39 Ca -0.28 0.01 -0.37 0.00 0.02 0.00 0.00 57.03 56.42 1r57 h ASP 39 Cb 1.07 0.06 -0.22 0.00 0.22 0.00 0.00 39.33 40.46 1r57 h ASP 39 CO 1.17 -0.14 -0.76 -1.38 -1.72 0.00 0.00 179.24 176.41 1r57 s HIS 40 N -3.51 1.01 -0.53 4.55 -3.43 -1.26 -2.51 115.29 109.61 1r57 s HIS 40 Ca -0.03 -0.46 -0.02 0.00 -0.80 0.00 0.00 55.06 53.75 1r57 s HIS 40 Cb 0.00 -0.58 0.14 0.00 -1.43 0.00 0.00 32.58 30.71 1r57 s HIS 40 CO 0.10 0.01 0.33 0.99 -2.00 0.00 0.00 174.74 174.17 1r57 s THR 41 N -1.25 3.45 -1.56 -5.38 2.01 -1.26 -2.54 115.64 109.11 1r57 s THR 41 Ca -0.04 -2.61 -0.11 0.00 0.31 0.00 0.00 61.69 59.24 1r57 s THR 41 Cb -0.10 -3.31 -0.04 0.00 0.01 0.00 0.00 72.50 69.07 1r57 s THR 41 CO 0.01 -0.79 2.70 0.61 -0.69 0.00 0.00 174.62 176.46 1r57 n GLY 42 N 3.92 4.36 3.60 4.40 0.00 0.10 -4.88 105.19 116.69 1r57 n GLY 42 Ca 0.04 -1.57 -0.39 0.00 0.00 0.00 0.00 46.02 44.09 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 2.25 5.18 0.51 1.61 1.01 -1.26 -2.15 120.40 127.55 1r57 s VAL 43 Ca 0.62 0.48 -0.20 0.00 0.00 0.00 0.00 61.98 62.87 1r57 s VAL 43 Cb 0.17 -3.70 -0.07 0.00 0.00 0.00 0.00 36.38 32.78 1r57 s VAL 43 CO -0.07 0.13 1.13 -0.55 0.00 0.00 0.00 175.10 175.74 1r57 s SER 44 N 1.66 5.90 0.50 3.32 0.15 0.61 -4.92 113.70 120.94 1r57 s SER 44 Ca 0.14 2.19 0.33 0.00 0.70 0.00 0.00 55.95 59.31 1r57 s SER 44 Cb -0.16 -2.59 1.39 0.00 -1.71 0.00 0.00 66.02 62.96 1r57 s SER 44 CO 0.10 -1.09 1.96 0.44 1.20 0.00 0.00 173.24 175.85 1r57 h ASP 45 N 1.47 0.00 -0.90 5.45 3.32 -1.97 -3.11 116.42 120.68 1r57 h ASP 45 Ca -0.50 0.00 -0.51 0.00 0.02 0.00 0.00 57.03 56.05 1r57 h ASP 45 Cb 1.25 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 40.73 1r57 h ASP 45 CO 0.58 0.00 1.38 -1.83 -1.72 0.00 0.00 179.24 177.65 1r57 s GLU 46 N -3.64 3.28 0.00 3.56 -1.05 -1.26 -4.07 118.70 115.51 1r57 s GLU 46 Ca 0.01 -1.06 0.00 0.00 -0.15 0.00 0.00 54.97 53.77 1r57 s GLU 46 Cb 0.09 -5.30 0.00 0.00 -0.44 0.00 0.00 34.13 28.48 1r57 s GLU 46 CO 0.49 -2.70 0.00 -0.11 0.95 0.00 0.00 175.26 173.90 1r57 n LEU 47 N 10.67 0.18 0.31 1.83 7.94 -1.26 -4.80 117.00 131.88 1r57 n LEU 47 Ca 0.39 0.00 0.20 0.00 -1.11 0.00 0.00 56.01 55.49 1r57 n LEU 47 Cb 0.49 -0.37 1.01 0.00 0.53 0.00 0.00 43.42 45.08 1r57 n LEU 47 CO 0.66 -0.09 1.11 1.23 -1.11 0.00 0.00 177.39 179.20 1r57 h GLY 48 N 0.00 0.00 1.45 -3.96 0.00 -1.68 -1.31 103.07 97.56 1r57 h GLY 48 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1r57 h GLY 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 1r57 n GLY 49 N -0.74 -1.22 3.39 4.60 0.00 -1.26 -2.18 105.19 107.77 1r57 n GLY 49 Ca -0.02 -0.15 -0.45 0.00 0.00 0.00 0.00 46.02 45.39 1r57 n GLY 49 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1r57 s GLN 50 N -2.45 3.70 0.00 1.61 0.74 -0.50 -4.72 119.66 118.05 1r57 s GLN 50 Ca 0.33 -2.25 0.00 0.00 0.05 0.00 0.00 55.36 53.48 1r57 s GLN 50 Cb 0.21 -4.70 0.00 0.00 1.10 0.00 0.00 33.01 29.61 1r57 s GLN 50 CO 0.44 -1.53 0.00 0.41 -0.55 0.00 0.00 175.29 174.06 1r57 n GLY 51 N 4.50 1.25 0.23 2.59 0.00 -1.26 -4.69 105.19 107.81 1r57 n GLY 51 Ca 0.21 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.24 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 0.52 -0.89 1.61 2.07 -1.85 0.02 116.25 117.73 1r57 h VAL 52 Ca 0.00 -0.05 0.08 0.00 0.82 0.00 0.00 66.70 67.56 1r57 h VAL 52 Cb 0.00 0.38 -0.06 0.00 -1.52 0.00 0.00 31.29 30.08 1r57 h VAL 52 CO 0.00 0.02 0.58 1.23 0.02 0.00 0.00 177.57 179.42 1r57 h GLY 53 N 0.13 1.30 2.00 2.17 0.00 -1.71 -1.58 103.07 105.37 1r57 h GLY 53 Ca 0.32 -0.38 -0.04 0.00 0.00 0.00 0.00 47.33 47.22 1r57 h GLY 53 CO -0.50 0.24 -0.18 1.70 0.00 0.00 0.00 176.54 177.80 1r57 h LYS 54 N 0.94 0.00 -0.35 4.80 3.64 -1.35 -2.88 116.57 121.36 1r57 h LYS 54 Ca 0.40 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.69 1r57 h LYS 54 Cb 0.33 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.13 1r57 h LYS 54 CO -0.16 0.18 -0.15 0.87 -2.27 0.00 0.00 179.45 177.92 1r57 h LYS 55 N 0.00 0.64 -0.37 1.90 1.57 -0.35 -0.24 116.57 119.71 1r57 h LYS 55 Ca -0.00 -0.21 -0.13 0.00 -1.87 0.00 0.00 60.65 58.43 1r57 h LYS 55 Cb 1.12 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.37 1r57 h LYS 55 CO 0.02 0.76 -0.29 -0.07 -0.57 0.00 0.00 179.45 179.30 1r57 h LEU 56 N 0.58 0.91 -0.76 2.94 3.38 -1.35 -2.63 115.31 118.38 1r57 h LEU 56 Ca 0.10 -0.44 0.02 0.00 0.09 0.00 0.00 57.88 57.64 1r57 h LEU 56 Cb 0.59 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 41.04 1r57 h LEU 56 CO 0.04 1.16 0.49 -0.07 0.09 0.00 0.00 178.44 180.15 1r57 h LEU 57 N 0.66 0.84 -0.52 1.67 4.07 -1.28 -2.43 115.31 118.33 1r57 h LEU 57 Ca 0.07 -0.01 0.06 0.00 0.08 0.00 0.00 57.88 58.08 1r57 h LEU 57 Cb 0.87 -0.20 -0.05 0.00 1.08 0.00 0.00 40.66 42.36 1r57 h LEU 57 CO 0.08 0.60 0.22 0.50 -1.08 0.00 0.00 178.44 178.75 1r57 h LYS 58 N 0.99 0.41 -0.36 1.13 3.64 -0.90 -0.47 116.57 121.01 1r57 h LYS 58 Ca 0.29 -0.02 0.07 0.00 -1.27 0.00 0.00 60.65 59.71 1r57 h LYS 58 Cb -0.07 -0.09 -0.06 0.00 -0.41 0.00 0.00 32.23 31.60 1r57 h LYS 58 CO -0.08 0.27 -0.04 0.00 -2.27 0.00 0.00 179.45 177.33 1r57 h ALA 59 N 1.32 0.29 -0.10 5.00 0.00 -1.07 0.36 119.26 125.06 1r57 h ALA 59 Ca 0.24 0.12 -0.08 0.00 0.00 0.00 0.00 54.91 55.19 1r57 h ALA 59 Cb 0.22 0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1r57 h ALA 59 CO -0.22 -0.43 -0.27 0.28 0.00 0.00 0.00 179.25 178.62 1r57 h VAL 60 N 0.05 1.39 -0.37 0.00 2.07 -1.27 -2.91 116.25 115.22 1r57 h VAL 60 Ca 0.18 -1.58 -0.08 0.00 0.82 0.00 0.00 66.70 66.04 1r57 h VAL 60 Cb 0.26 2.15 -0.02 0.00 -1.52 0.00 0.00 31.29 32.16 1r57 h VAL 60 CO -0.33 0.46 -0.09 0.58 0.02 0.00 0.00 177.57 178.21 1r57 h VAL 61 N -0.08 1.24 0.12 2.57 2.07 -0.85 0.96 116.25 122.29 1r57 h VAL 61 Ca -0.00 -1.03 0.00 0.00 0.82 0.00 0.00 66.70 66.49 1r57 h VAL 61 Cb 0.88 1.05 -0.01 0.00 -1.52 0.00 0.00 31.29 31.69 1r57 h VAL 61 CO 0.06 0.35 -0.12 -0.08 0.02 0.00 0.00 177.57 177.79 1r57 h GLU 62 N 0.58 -0.26 0.00 1.57 4.81 -0.31 0.21 114.58 121.18 1r57 h GLU 62 Ca 0.11 0.02 -0.08 0.00 -0.13 0.00 0.00 59.36 59.28 1r57 h GLU 62 Cb 0.49 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.92 1r57 h GLU 62 CO 0.03 -0.17 -0.36 1.25 -0.73 0.00 0.00 179.01 179.03 1r57 h HIS 63 N -0.27 0.00 -0.57 0.92 2.76 -1.28 -2.16 115.15 114.54 1r57 h HIS 63 Ca 0.00 0.00 -0.11 0.00 -2.20 0.00 0.00 60.37 58.07 1r57 h HIS 63 Cb 0.26 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.20 1r57 h HIS 63 CO -0.12 0.36 -0.07 0.00 -1.30 0.00 0.00 177.93 176.80 1r57 h ALA 64 N 1.64 0.79 -0.91 5.26 0.00 -0.31 -1.04 119.26 124.70 1r57 h ALA 64 Ca -0.00 -0.34 0.05 0.00 0.00 0.00 0.00 54.91 54.62 1r57 h ALA 64 Cb 0.78 -0.21 -0.06 0.00 0.00 0.00 0.00 17.79 18.31 1r57 h ALA 64 CO 0.05 0.67 0.58 0.00 0.00 0.00 0.00 179.25 180.55 1r57 h ARG 65 N 0.95 1.05 0.43 0.00 2.47 0.04 0.26 114.38 119.58 1r57 h ARG 65 Ca 0.15 -0.06 -0.02 0.00 -1.26 0.00 0.00 59.98 58.79 1r57 h ARG 65 Cb 0.64 -0.24 0.00 0.00 -1.65 0.00 0.00 29.97 28.72 1r57 h ARG 65 CO 0.04 0.70 -0.20 0.93 0.56 0.00 0.00 179.97 181.99 1r57 h GLU 66 N 1.08 -0.55 -0.01 0.04 5.08 -1.12 -3.30 114.58 115.81 1r57 h GLU 66 Ca 0.38 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.78 1r57 h GLU 66 Cb 0.10 0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.48 1r57 h GLU 66 CO -0.15 -0.24 -0.18 0.09 -1.00 0.00 0.00 179.01 177.53 1r57 n ASN 67 N -5.20 0.84 -2.00 1.42 5.03 -0.42 -4.91 115.26 110.03 1r57 n ASN 67 Ca -0.10 -0.82 -0.15 0.00 0.87 0.00 0.00 54.58 54.38 1r57 n ASN 67 Cb 0.29 0.04 0.02 0.00 -1.02 0.00 0.00 39.78 39.12 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 -0.70 -4.53 -4.79 6.41 5.03 0.83 -4.98 115.26 112.53 1r57 n ASN 68 Ca 0.14 -0.17 -0.34 0.00 0.87 0.00 0.00 54.58 55.08 1r57 n ASN 68 Cb 0.32 -3.44 -0.01 0.00 -1.02 0.00 0.00 39.78 35.63 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 -4.48 3.70 -0.06 3.41 1.43 -0.71 -5.01 118.68 116.96 1r57 s LEU 69 Ca 0.17 1.94 -0.16 0.00 -1.03 0.00 0.00 54.13 55.05 1r57 s LEU 69 Cb -0.08 -4.55 -0.05 0.00 0.03 0.00 0.00 46.19 41.54 1r57 s LEU 69 CO 0.21 -1.01 0.43 -0.54 0.23 0.00 0.00 176.35 175.67 1r57 s LYS 70 N -3.54 4.14 -0.29 1.70 1.02 0.14 -4.82 119.74 118.08 1r57 s LYS 70 Ca 0.67 0.42 -0.06 0.00 0.02 0.00 0.00 55.97 57.01 1r57 s LYS 70 Cb -0.18 -3.33 0.01 0.00 -0.52 0.00 0.00 37.83 33.81 1r57 s LYS 70 CO 0.27 0.43 0.07 0.42 -0.92 0.00 0.00 175.35 175.63 1r57 s ILE 71 N -0.26 3.91 0.06 2.17 -1.09 0.76 -1.54 121.20 125.22 1r57 s ILE 71 Ca 0.24 -0.69 0.05 0.00 -2.23 0.00 0.00 60.65 58.02 1r57 s ILE 71 Cb -0.16 -3.01 -0.03 0.00 -1.58 0.00 0.00 42.46 37.69 1r57 s ILE 71 CO 0.12 0.10 -0.15 0.27 -1.23 0.00 0.00 174.94 174.05 1r57 s ILE 72 N 1.49 1.18 -0.01 2.92 -0.00 -0.98 -1.15 121.20 124.66 1r57 s ILE 72 Ca 0.03 -1.24 0.05 0.00 -0.00 0.00 0.00 60.65 59.49 1r57 s ILE 72 Cb -0.17 -1.11 -0.01 0.00 -0.00 0.00 0.00 42.46 41.17 1r57 s ILE 72 CO 0.02 -0.13 -0.16 0.00 -0.00 0.00 0.00 174.94 174.67 1r57 s ALA 73 N -1.13 1.31 -0.14 2.27 0.00 -1.26 -0.11 121.76 122.71 1r57 s ALA 73 Ca 0.00 -0.68 -0.00 0.00 0.00 0.00 0.00 51.96 51.28 1r57 s ALA 73 Cb -0.09 -0.33 -0.24 0.00 0.00 0.00 0.00 23.12 22.46 1r57 s ALA 73 CO 0.02 0.32 0.27 0.45 0.00 0.00 0.00 175.76 176.82 1r57 n SER 74 N 2.68 1.75 -4.64 0.00 2.88 0.13 -4.78 113.62 111.63 1r57 n SER 74 Ca -0.14 0.16 -0.42 0.00 -1.33 0.00 0.00 58.87 57.13 1r57 n SER 74 Cb 0.55 -0.51 -0.03 0.00 -0.75 0.00 0.00 64.21 63.46 1r57 n SER 74 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1r57 h SER 76 N 11.09 0.88 0.52 0.00 0.02 -1.91 0.63 113.55 124.77 1r57 h SER 76 Ca -0.43 0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 60.52 1r57 h SER 76 Cb 1.21 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 63.56 1r57 h SER 76 CO 0.96 0.55 -0.35 0.15 -1.14 0.00 0.00 176.83 176.99 1r57 h PHE 77 N 0.99 -0.94 -0.48 3.45 3.57 -1.97 0.29 116.94 121.85 1r57 h PHE 77 Ca 0.40 -0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.77 1r57 h PHE 77 Cb 0.27 0.34 -0.01 0.00 2.79 0.00 0.00 35.95 39.34 1r57 h PHE 77 CO -0.00 -0.53 -0.18 0.00 -2.23 0.00 0.00 178.31 175.37 1r57 h ALA 78 N -0.45 0.77 -0.51 2.41 0.00 -1.87 -2.63 119.26 116.96 1r57 h ALA 78 Ca -0.06 -0.37 0.02 0.00 0.00 0.00 0.00 54.91 54.49 1r57 h ALA 78 Cb 0.70 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 1r57 h ALA 78 CO 0.04 0.66 0.32 -0.22 0.00 0.00 0.00 179.25 180.05 1r57 h LYS 79 N 0.83 0.62 0.00 0.00 3.11 -0.74 0.44 116.57 120.83 1r57 h LYS 79 Ca 0.12 -0.04 -0.07 0.00 -2.81 0.00 0.00 60.65 57.85 1r57 h LYS 79 Cb 0.74 -0.14 -0.01 0.00 -1.00 0.00 0.00 32.23 31.82 1r57 h LYS 79 CO 0.06 0.41 -0.34 1.25 -2.81 0.00 0.00 179.45 178.02 1r57 h HIS 80 N 0.64 0.00 0.10 1.91 2.76 -0.85 -0.98 115.15 118.73 1r57 h HIS 80 Ca 0.20 0.00 -0.22 0.00 -2.20 0.00 0.00 60.37 58.14 1r57 h HIS 80 Cb -0.02 0.00 0.02 0.00 1.55 0.00 0.00 27.41 28.96 1r57 h HIS 80 CO -0.05 0.34 -0.94 1.98 -1.30 0.00 0.00 177.93 177.96 1r57 h MET 81 N 0.00 0.46 0.00 5.26 1.85 -1.00 -2.69 114.93 118.81 1r57 h MET 81 Ca -0.00 -0.63 -0.05 0.00 -0.61 0.00 0.00 59.70 58.41 1r57 h MET 81 Cb 0.79 0.21 -0.01 0.00 0.43 0.00 0.00 31.60 33.02 1r57 h MET 81 CO 0.04 1.26 -0.23 -0.07 -0.40 0.00 0.00 176.91 177.52 1r57 h LEU 82 N -0.04 0.00 -0.30 3.39 3.38 -0.81 -2.12 115.31 118.82 1r57 h LEU 82 Ca -0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.83 1r57 h LEU 82 Cb 1.67 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.42 1r57 h LEU 82 CO 0.18 0.23 0.00 -0.08 0.09 0.00 0.00 178.44 178.86 1r57 h GLU 83 N 0.00 0.00 0.03 1.13 4.81 -1.15 -3.34 114.58 116.06 1r57 h GLU 83 Ca -0.00 0.00 -0.39 0.00 -0.13 0.00 0.00 59.36 58.84 1r57 h GLU 83 Cb 0.44 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.76 1r57 h GLU 83 CO 0.03 0.00 -2.35 1.17 -0.73 0.00 0.00 179.01 177.13 1r57 n LYS 84 N -2.96 0.67 -3.23 1.92 4.81 -0.90 -4.97 118.16 113.50 1r57 n LYS 84 Ca 0.03 0.20 -0.37 0.00 -0.87 0.00 0.00 58.31 57.30 1r57 n LYS 84 Cb 0.46 -1.57 -0.06 0.00 0.02 0.00 0.00 35.03 33.89 1r57 n LYS 84 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 1r57 s GLU 85 N -2.52 4.20 0.25 1.64 2.12 -0.85 -4.98 118.70 118.56 1r57 s GLU 85 Ca -0.32 0.75 0.12 0.00 0.36 0.00 0.00 54.97 55.88 1r57 s GLU 85 Cb 0.09 -3.10 0.19 0.00 0.26 0.00 0.00 34.13 31.56 1r57 s GLU 85 CO 0.63 0.55 1.50 -0.44 -0.54 0.00 0.00 175.26 176.96 1r57 h ASP 86 N 4.08 0.00 0.34 -1.70 3.32 -1.91 -3.25 116.42 117.30 1r57 h ASP 86 Ca -0.49 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.56 1r57 h ASP 86 Cb 1.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.75 1r57 h ASP 86 CO 0.65 0.65 0.00 0.77 -1.72 0.00 0.00 179.24 179.59 1r57 h SER 87 N 0.00 0.00 -0.02 6.45 4.64 -1.93 -1.35 113.55 121.34 1r57 h SER 87 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1r57 h SER 87 Cb 1.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.42 1r57 h SER 87 CO 0.09 0.00 -0.22 -1.22 -0.87 0.00 0.00 176.83 174.60 1r57 n TYR 88 N -2.44 0.00 1.33 4.77 4.01 -1.23 -4.55 117.16 119.05 1r57 n TYR 88 Ca -0.00 0.00 0.09 0.00 -0.16 0.00 0.00 57.90 57.83 1r57 n TYR 88 Cb 0.13 0.00 0.55 0.00 -0.31 0.00 0.00 39.34 39.71 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 0.27 0.67 -0.07 -0.72 7.27 -0.51 -0.27 117.38 124.02 1r57 n GLN 89 Ca 0.08 0.00 -0.19 0.00 0.07 0.00 0.00 57.00 56.96 1r57 n GLN 89 Cb 0.38 -1.43 -0.13 0.00 2.41 0.00 0.00 30.24 31.47 1r57 n GLN 89 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 1r57 n ASP 90 N -0.93 2.02 -0.11 1.69 8.00 -1.26 -4.63 116.55 121.32 1r57 n ASP 90 Ca 0.14 0.03 -0.14 0.00 0.71 0.00 0.00 54.79 55.53 1r57 n ASP 90 Cb 0.06 -0.60 -0.14 0.00 -0.02 0.00 0.00 41.12 40.42 1r57 n ASP 90 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 1r57 n VAL 91 N -3.36 1.46 -2.28 2.53 0.24 -0.93 -4.90 118.33 111.09 1r57 n VAL 91 Ca -0.39 -0.72 -0.42 0.00 -2.04 0.00 0.00 64.34 60.77 1r57 n VAL 91 Cb 1.02 -0.96 -0.03 0.00 -1.47 0.00 0.00 33.84 32.40 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 -2.51 3.08 -1.22 6.34 5.04 0.63 -0.17 117.35 128.54 1r57 s TYR 92 Ca -0.22 0.99 -0.18 0.00 -2.44 0.00 0.00 57.07 55.22 1r57 s TYR 92 Cb 0.07 -3.59 -0.02 0.00 0.35 0.00 0.00 41.96 38.78 1r57 s TYR 92 CO 0.72 -2.06 2.01 1.28 -1.34 0.00 0.00 175.55 176.16 1r57 n LEU 93 N 4.80 5.29 -0.93 6.97 4.77 -0.30 -4.61 117.00 132.99 1r57 n LEU 93 Ca 0.12 -3.67 0.09 0.00 -0.03 0.00 0.00 56.01 52.52 1r57 n LEU 93 Cb 0.44 -1.56 0.24 0.00 -2.33 0.00 0.00 43.42 40.22 1r57 n LEU 93 CO 0.57 0.17 0.70 0.61 -1.33 0.00 0.00 177.39 178.12 1r57 n GLY 94 N 4.70 1.33 0.35 -0.72 0.00 -1.26 -4.23 105.19 105.36 1r57 n GLY 94 Ca 0.50 -0.56 -0.01 0.00 0.00 0.00 0.00 46.02 45.95 1r57 n GLY 94 CO 0.00 0.00 0.00 0.17 0.00 0.00 0.00 173.32 173.49 1r57 h LEU 95 N 3.04 0.96 -7.78 0.99 -0.00 -1.95 -3.29 115.31 107.27 1r57 h LEU 95 Ca 0.00 -0.05 -0.76 0.00 -0.00 0.00 0.00 57.88 57.07 1r57 h LEU 95 Cb 0.69 -0.24 -0.23 0.00 -0.00 0.00 0.00 40.66 40.87 1r57 h LEU 95 CO 0.00 0.73 0.52 -1.61 -0.00 0.00 0.00 178.44 178.09 1r57 s GLU 96 N -5.84 3.82 -0.40 0.17 0.41 -1.26 -4.75 118.70 110.85 1r57 s GLU 96 Ca -0.12 -2.51 0.05 0.00 -0.41 0.00 0.00 54.97 51.99 1r57 s GLU 96 Cb 0.17 -4.66 0.50 0.00 -1.78 0.00 0.00 34.13 28.37 1r57 s GLU 96 CO 0.80 -1.45 1.60 -2.39 -0.49 0.00 0.00 175.26 173.33 1r57 n HIS 97 N 4.47 2.24 -1.68 1.61 1.44 -1.24 -5.03 115.22 117.02 1r57 n HIS 97 Ca 0.22 -2.13 -0.42 0.00 -2.01 0.00 0.00 57.72 53.38 1r57 n HIS 97 Cb 0.45 -0.75 -0.03 0.00 0.12 0.00 0.00 29.99 29.78 1r57 n HIS 97 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 1r57 s HIS 98 N -3.48 1.30 -0.23 -1.40 5.04 -1.26 -3.81 115.29 111.45 1r57 s HIS 98 Ca 0.53 -0.38 -0.03 0.00 -1.54 0.00 0.00 55.06 53.64 1r57 s HIS 98 Cb 0.44 -4.22 0.01 0.00 0.04 0.00 0.00 32.58 28.86 1r57 s HIS 98 CO 0.02 -5.42 0.06 1.58 -2.34 0.00 0.00 174.74 168.64 1r57 n HIS 99 N 7.76 -3.53 -3.73 3.88 -0.00 -1.26 -5.03 115.22 113.30 1r57 n HIS 99 Ca 0.20 1.72 -0.30 0.00 -0.00 0.00 0.00 57.72 59.34 1r57 n HIS 99 Cb 0.41 -3.62 -0.14 0.00 -0.00 0.00 0.00 29.99 26.64 1r57 n HIS 99 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 1r57 s HIS 100 N -1.15 1.94 -0.18 1.57 5.04 -1.25 -5.07 115.29 116.19 1r57 s HIS 100 Ca -0.07 -2.16 -0.04 0.00 -1.54 0.00 0.00 55.06 51.25 1r57 s HIS 100 Cb 0.00 -1.85 0.08 0.00 0.04 0.00 0.00 32.58 30.85 1r57 s HIS 100 CO 0.67 -0.83 0.18 -1.58 -2.34 0.00 0.00 174.74 170.84 1r57 s HIS 101 N 0.91 -0.16 0.00 3.88 2.46 -1.26 -5.23 115.29 115.90 1r57 s HIS 101 Ca 0.14 0.15 0.00 0.00 0.47 0.00 0.00 55.06 55.82 1r57 s HIS 101 Cb -0.21 -0.43 0.00 0.00 -0.13 0.00 0.00 32.58 31.81 1r57 s HIS 101 CO -0.10 -0.54 0.00 1.58 -2.47 0.00 0.00 174.74 173.21