#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 -4.03 -0.14 7.83 2.88 -1.26 -4.94 113.62 113.97 1r57 n SER 2 Ca 0.00 0.81 0.00 0.00 -1.33 0.00 0.00 58.87 58.35 1r57 n SER 2 Cb 0.00 -2.34 0.00 0.00 -0.75 0.00 0.00 64.21 61.12 1r57 n SER 2 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1r57 n ASN 3 N -2.80 0.00 0.00 -3.46 4.13 -1.26 -5.08 115.26 106.79 1r57 n ASN 3 Ca -0.03 -1.27 0.00 0.00 1.68 0.00 0.00 54.58 54.95 1r57 n ASN 3 Cb 0.31 -0.05 0.00 0.00 -1.54 0.00 0.00 39.78 38.50 1r57 n ASN 3 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1r57 n LEU 4 N 0.00 0.00 0.00 3.41 7.99 -1.26 -3.76 117.00 123.38 1r57 n LEU 4 Ca 0.00 0.00 0.10 0.00 -0.01 0.00 0.00 56.01 56.10 1r57 n LEU 4 Cb 0.55 0.00 -0.02 0.00 -0.11 0.00 0.00 43.42 43.84 1r57 n LEU 4 CO 0.00 0.00 -0.13 -0.62 -1.51 0.00 0.00 177.39 175.13 1r57 n GLU 5 N 0.00 -1.46 -2.75 3.23 -0.58 -1.26 -4.73 120.64 113.09 1r57 n GLU 5 Ca 0.00 0.96 -0.43 0.00 -0.42 0.00 0.00 57.16 57.28 1r57 n GLU 5 Cb 0.00 -1.78 -0.04 0.00 -0.57 0.00 0.00 31.44 29.05 1r57 n GLU 5 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 1r57 s ILE 6 N -1.45 4.28 -0.38 -3.67 1.01 -1.26 -4.24 121.20 115.49 1r57 s ILE 6 Ca 0.00 0.55 -0.20 0.00 0.00 0.00 0.00 60.65 60.99 1r57 s ILE 6 Cb 0.00 -4.59 0.01 0.00 0.01 0.00 0.00 42.46 37.89 1r57 s ILE 6 CO 0.00 -1.15 0.63 -0.75 0.00 0.00 0.00 174.94 173.68 1r57 s LYS 7 N 4.24 3.55 0.62 2.79 2.47 0.26 -4.95 119.74 128.73 1r57 s LYS 7 Ca 0.35 -0.09 -0.12 0.00 -1.56 0.00 0.00 55.97 54.55 1r57 s LYS 7 Cb -0.11 -3.85 -0.03 0.00 -1.46 0.00 0.00 37.83 32.38 1r57 s LYS 7 CO 0.22 -0.82 1.03 1.14 0.16 0.00 0.00 175.35 177.08 1r57 s GLN 8 N 2.74 3.47 0.36 4.03 -2.07 -1.26 -1.71 119.66 125.21 1r57 s GLN 8 Ca 0.24 0.87 -0.10 0.00 -1.82 0.00 0.00 55.36 54.54 1r57 s GLN 8 Cb -0.14 -2.06 0.03 0.00 -1.09 0.00 0.00 33.01 29.74 1r57 s GLN 8 CO 0.16 -0.67 0.64 0.20 -1.32 0.00 0.00 175.29 174.29 1r57 s GLY 9 N -3.80 0.84 -0.54 2.60 0.00 0.06 -4.90 107.32 101.58 1r57 s GLY 9 Ca 0.57 -1.07 -0.27 0.00 0.00 0.00 0.00 44.72 43.95 1r57 s GLY 9 CO 0.49 -0.61 1.73 -1.83 0.00 0.00 0.00 173.10 172.88 1r57 s GLU 10 N -2.79 2.95 -0.87 2.90 4.04 -1.26 -2.85 118.70 120.83 1r57 s GLU 10 Ca 0.22 0.74 0.00 0.00 0.04 0.00 0.00 54.97 55.97 1r57 s GLU 10 Cb -0.03 -4.28 0.00 0.00 0.02 0.00 0.00 34.13 29.84 1r57 s GLU 10 CO 0.15 -2.34 0.00 0.09 -1.84 0.00 0.00 175.26 171.32 1r57 n ASN 11 N 11.41 -4.00 -3.61 0.83 3.02 -1.26 -5.00 115.26 116.65 1r57 n ASN 11 Ca 0.19 0.20 -0.16 0.00 -0.03 0.00 0.00 54.58 54.78 1r57 n ASN 11 Cb 0.50 -2.22 -0.07 0.00 -0.61 0.00 0.00 39.78 37.38 1r57 n ASN 11 CO 0.00 0.00 0.00 -1.59 -2.62 0.00 0.00 177.26 173.05 1r57 s LYS 12 N -2.69 0.89 -0.09 3.52 0.00 -1.13 -1.37 119.74 118.87 1r57 s LYS 12 Ca 0.00 0.19 0.02 0.00 0.00 0.00 0.00 55.97 56.18 1r57 s LYS 12 Cb 0.00 0.42 -0.02 0.00 0.00 0.00 0.00 37.83 38.22 1r57 s LYS 12 CO 0.00 -0.25 -0.14 -0.06 0.00 0.00 0.00 175.35 174.89 1r57 s PHE 13 N -1.04 2.74 0.01 1.78 0.08 -0.23 -0.76 117.98 120.55 1r57 s PHE 13 Ca -0.10 -0.40 0.00 0.00 0.12 0.00 0.00 56.93 56.55 1r57 s PHE 13 Cb -0.02 -1.72 -0.01 0.00 -0.57 0.00 0.00 43.02 40.69 1r57 s PHE 13 CO 0.07 -0.01 -0.02 1.52 -0.10 0.00 0.00 175.22 176.68 1r57 s TYR 14 N -0.23 0.19 -0.21 0.36 1.13 -0.69 -0.19 117.35 117.71 1r57 s TYR 14 Ca 0.01 -0.39 -0.05 0.00 -1.41 0.00 0.00 57.07 55.23 1r57 s TYR 14 Cb -0.13 -0.14 -0.02 0.00 -1.10 0.00 0.00 41.96 40.57 1r57 s TYR 14 CO 0.03 -0.14 -0.01 0.42 -2.51 0.00 0.00 175.55 173.35 1r57 s ILE 15 N -1.06 3.80 -5.00 -3.49 1.01 0.57 -0.57 121.20 116.46 1r57 s ILE 15 Ca -0.12 -0.36 0.00 0.00 0.00 0.00 0.00 60.65 60.18 1r57 s ILE 15 Cb -0.07 -2.73 0.00 0.00 0.01 0.00 0.00 42.46 39.67 1r57 s ILE 15 CO -0.01 0.42 0.00 0.61 0.00 0.00 0.00 174.94 175.96 1r57 n GLY 16 N 4.49 -1.76 0.26 6.18 0.00 -1.26 -1.48 105.19 111.62 1r57 n GLY 16 Ca -0.17 -1.47 -0.12 0.00 0.00 0.00 0.00 46.02 44.25 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 0.96 -1.26 1.61 3.32 -1.80 -3.44 116.42 115.80 1r57 h ASP 17 Ca 0.00 -0.43 0.00 0.00 0.02 0.00 0.00 57.03 56.62 1r57 h ASP 17 Cb 0.00 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.28 1r57 h ASP 17 CO 0.00 1.22 0.00 -0.67 -1.72 0.00 0.00 179.24 178.07 1r57 n ASP 18 N -4.06 0.00 0.02 6.45 -0.08 -1.26 -5.05 116.55 112.56 1r57 n ASP 18 Ca -0.02 -0.86 0.11 0.00 -1.51 0.00 0.00 54.79 52.52 1r57 n ASP 18 Cb 0.53 0.00 0.11 0.00 2.34 0.00 0.00 41.12 44.11 1r57 n ASP 18 CO 0.00 0.00 0.00 -1.84 0.12 0.00 0.00 177.20 175.48 1r57 n GLU 19 N 0.00 0.13 0.11 -0.67 -0.00 -1.26 -2.11 120.64 116.84 1r57 n GLU 19 Ca 0.00 0.01 0.06 0.00 -0.00 0.00 0.00 57.16 57.23 1r57 n GLU 19 Cb 0.00 -1.55 0.01 0.00 -0.00 0.00 0.00 31.44 29.90 1r57 n GLU 19 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 177.13 174.18 1r57 h ASN 20 N 0.00 0.00 0.00 -1.84 7.08 -2.01 -3.32 115.58 115.48 1r57 h ASN 20 Ca 0.00 0.00 -0.04 0.00 -3.08 0.00 0.00 56.30 53.18 1r57 h ASN 20 Cb 0.61 0.00 -0.08 0.00 -2.08 0.00 0.00 38.32 36.77 1r57 h ASN 20 CO 0.00 0.27 -0.51 -0.46 -2.08 0.00 0.00 177.43 174.66 1r57 n ASN 21 N -2.93 1.57 -4.68 6.14 6.94 -1.24 -5.05 115.26 116.01 1r57 n ASN 21 Ca -0.02 -3.23 -0.42 0.00 -0.02 0.00 0.00 54.58 50.90 1r57 n ASN 21 Cb 0.67 -0.44 -0.03 0.00 -2.36 0.00 0.00 39.78 37.62 1r57 n ASN 21 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1r57 s ALA 22 N -2.29 3.66 0.01 -2.53 0.00 -0.90 -4.56 121.76 115.15 1r57 s ALA 22 Ca 0.33 1.27 0.17 0.00 0.00 0.00 0.00 51.96 53.73 1r57 s ALA 22 Cb 0.33 -3.77 0.37 0.00 0.00 0.00 0.00 23.12 20.04 1r57 s ALA 22 CO -0.06 -1.34 1.58 -0.07 0.00 0.00 0.00 175.76 175.87 1r57 h LEU 23 N 9.54 0.00 -7.09 0.00 3.38 -1.56 -3.44 115.31 116.14 1r57 h LEU 23 Ca -0.45 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.48 1r57 h LEU 23 Cb 1.21 0.00 -0.23 0.00 0.09 0.00 0.00 40.66 41.73 1r57 h LEU 23 CO 0.94 0.45 -0.11 0.00 0.09 0.00 0.00 178.44 179.81 1r57 s ALA 24 N -3.26 -1.54 0.07 1.53 0.00 -1.14 -2.46 121.76 114.96 1r57 s ALA 24 Ca 0.02 2.06 0.05 0.00 0.00 0.00 0.00 51.96 54.08 1r57 s ALA 24 Cb 0.09 -1.22 -0.03 0.00 0.00 0.00 0.00 23.12 21.96 1r57 s ALA 24 CO 0.72 -0.33 -0.13 -1.83 0.00 0.00 0.00 175.76 174.18 1r57 s GLU 25 N 1.53 0.76 -0.06 0.00 1.03 -1.04 -0.31 118.70 120.60 1r57 s GLU 25 Ca -0.10 -0.92 0.01 0.00 0.03 0.00 0.00 54.97 53.99 1r57 s GLU 25 Cb -0.06 -0.72 0.02 0.00 -0.80 0.00 0.00 34.13 32.57 1r57 s GLU 25 CO -0.17 0.16 -0.05 -1.50 -1.33 0.00 0.00 175.26 172.37 1r57 s ILE 26 N -1.30 0.64 -0.09 1.83 2.07 0.74 -2.04 121.20 123.05 1r57 s ILE 26 Ca -0.04 -0.14 -0.03 0.00 -1.41 0.00 0.00 60.65 59.04 1r57 s ILE 26 Cb -0.10 -0.68 -0.03 0.00 0.13 0.00 0.00 42.46 41.78 1r57 s ILE 26 CO 0.02 0.27 0.03 0.42 -1.91 0.00 0.00 174.94 173.76 1r57 s THR 27 N 1.20 4.53 -0.12 4.00 -4.23 -0.52 -1.07 115.64 119.43 1r57 s THR 27 Ca -0.06 -0.16 -0.21 0.00 -1.18 0.00 0.00 61.69 60.08 1r57 s THR 27 Cb -0.14 -2.92 0.05 0.00 1.34 0.00 0.00 72.50 70.83 1r57 s THR 27 CO -0.02 0.61 0.52 -0.72 -0.54 0.00 0.00 174.62 174.47 1r57 s TYR 28 N -0.88 -0.52 -0.03 3.99 1.13 -0.47 -2.81 117.35 117.75 1r57 s TYR 28 Ca 0.13 1.11 -0.13 0.00 -1.41 0.00 0.00 57.07 56.77 1r57 s TYR 28 Cb -0.11 0.23 0.02 0.00 -1.10 0.00 0.00 41.96 41.00 1r57 s TYR 28 CO 0.03 -0.38 0.29 -0.98 -2.51 0.00 0.00 175.55 171.99 1r57 s ARG 29 N -0.42 0.59 -0.59 -3.49 1.70 -1.04 -4.49 118.95 111.22 1r57 s ARG 29 Ca -0.06 -0.09 -0.28 0.00 -0.47 0.00 0.00 55.73 54.83 1r57 s ARG 29 Cb -0.03 0.26 0.02 0.00 -0.57 0.00 0.00 34.95 34.63 1r57 s ARG 29 CO 0.04 -0.15 1.38 -0.06 -1.08 0.00 0.00 175.30 175.43 1r57 s PHE 30 N -1.05 2.31 0.14 5.89 0.40 -1.26 -2.07 117.98 122.34 1r57 s PHE 30 Ca -0.11 0.41 0.02 0.00 -0.60 0.00 0.00 56.93 56.65 1r57 s PHE 30 Cb -0.05 -4.43 -0.11 0.00 0.51 0.00 0.00 43.02 38.95 1r57 s PHE 30 CO 0.03 -1.94 1.31 -0.39 0.70 0.00 0.00 175.22 174.93 1r57 h VAL 31 N 6.32 1.55 0.00 -0.44 -1.51 -1.44 -3.45 116.25 117.28 1r57 h VAL 31 Ca -0.27 -2.90 0.00 0.00 -1.23 0.00 0.00 66.70 62.30 1r57 h VAL 31 Cb 1.08 2.65 0.00 0.00 -2.13 0.00 0.00 31.29 32.90 1r57 h VAL 31 CO 1.19 0.84 0.00 0.47 -1.23 0.00 0.00 177.57 178.84 1r57 n ASP 32 N -3.56 0.00 0.04 4.19 8.00 -1.25 -5.06 116.55 118.90 1r57 n ASP 32 Ca -0.04 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.46 1r57 n ASP 32 Cb 0.88 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.98 1r57 n ASP 32 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1r57 n ASN 33 N -0.76 0.39 -0.09 -2.24 5.03 -1.26 -4.90 115.26 111.43 1r57 n ASN 33 Ca 0.00 0.12 0.01 0.00 0.87 0.00 0.00 54.58 55.58 1r57 n ASN 33 Cb 0.00 -0.07 0.01 0.00 -1.02 0.00 0.00 39.78 38.70 1r57 n ASN 33 CO 0.00 0.00 0.00 -0.46 -1.83 0.00 0.00 177.26 174.97 1r57 n ASN 34 N -3.01 1.18 -4.66 6.41 0.23 -1.26 -4.98 115.26 109.17 1r57 n ASN 34 Ca 0.00 -1.09 -0.41 0.00 -0.53 0.00 0.00 54.58 52.54 1r57 n ASN 34 Cb 0.00 -0.00 -0.04 0.00 -2.08 0.00 0.00 39.78 37.66 1r57 n ASN 34 CO 0.00 0.00 0.00 -1.61 -0.93 0.00 0.00 177.26 174.72 1r57 s GLU 35 N -0.18 4.23 -0.13 -3.83 8.01 -1.26 -0.41 118.70 125.13 1r57 s GLU 35 Ca 0.03 0.94 0.02 0.00 0.01 0.00 0.00 54.97 55.97 1r57 s GLU 35 Cb 0.02 -3.61 0.01 0.00 -4.31 0.00 0.00 34.13 26.24 1r57 s GLU 35 CO 0.03 -0.41 -0.20 0.96 0.01 0.00 0.00 175.26 175.64 1r57 s ILE 36 N 2.46 1.91 -0.10 -1.63 -4.36 -0.54 -0.96 121.20 117.98 1r57 s ILE 36 Ca 0.36 -0.89 -0.03 0.00 -0.26 0.00 0.00 60.65 59.83 1r57 s ILE 36 Cb -0.16 -1.70 -0.03 0.00 1.25 0.00 0.00 42.46 41.82 1r57 s ILE 36 CO 0.10 0.52 0.02 0.54 0.24 0.00 0.00 174.94 176.35 1r57 s ASN 37 N 0.86 5.33 -0.49 4.36 4.22 -0.88 -1.43 114.94 126.91 1r57 s ASN 37 Ca -0.07 0.14 -0.17 0.00 -2.14 0.00 0.00 52.86 50.62 1r57 s ASN 37 Cb -0.15 -1.60 0.06 0.00 1.28 0.00 0.00 41.25 40.84 1r57 s ASN 37 CO -0.02 0.34 0.51 -0.63 -2.04 0.00 0.00 177.10 175.26 1r57 s ILE 38 N -0.66 5.05 -0.08 0.54 1.01 0.24 -2.50 121.20 124.81 1r57 s ILE 38 Ca 0.11 -0.74 -0.20 0.00 0.00 0.00 0.00 60.65 59.82 1r57 s ILE 38 Cb -0.12 -4.20 -0.16 0.00 0.01 0.00 0.00 42.46 37.99 1r57 s ILE 38 CO 0.02 -0.68 0.75 -0.78 0.00 0.00 0.00 174.94 174.26 1r57 h ASP 39 N 8.87 -0.10 -3.95 3.58 3.58 -1.85 0.21 116.42 126.76 1r57 h ASP 39 Ca -0.28 -0.47 -0.24 0.00 0.42 0.00 0.00 57.03 56.46 1r57 h ASP 39 Cb 1.10 0.03 -0.27 0.00 1.72 0.00 0.00 39.33 41.91 1r57 h ASP 39 CO 0.91 0.55 -0.72 -2.28 -2.88 0.00 0.00 179.24 174.82 1r57 s HIS 40 N -2.92 0.12 -0.23 0.28 5.04 -1.26 -3.15 115.29 113.18 1r57 s HIS 40 Ca -0.13 -0.10 -0.03 0.00 -1.54 0.00 0.00 55.06 53.26 1r57 s HIS 40 Cb -0.00 -0.08 0.10 0.00 0.04 0.00 0.00 32.58 32.64 1r57 s HIS 40 CO 0.47 -0.03 0.21 0.99 -2.34 0.00 0.00 174.74 174.05 1r57 s THR 41 N -0.25 -0.29 -0.35 0.89 2.01 -1.26 -1.43 115.64 114.95 1r57 s THR 41 Ca -0.02 -0.26 -0.04 0.00 0.31 0.00 0.00 61.69 61.68 1r57 s THR 41 Cb -0.02 -0.76 0.07 0.00 0.01 0.00 0.00 72.50 71.80 1r57 s THR 41 CO -0.00 -0.32 0.10 -0.83 -0.69 0.00 0.00 174.62 172.88 1r57 s GLY 42 N 2.29 1.86 -0.22 4.40 0.00 -0.87 -4.66 107.32 110.12 1r57 s GLY 42 Ca 0.07 -2.02 -0.05 0.00 0.00 0.00 0.00 44.72 42.72 1r57 s GLY 42 CO -0.19 0.83 0.01 0.14 0.00 0.00 0.00 173.10 173.90 1r57 s VAL 43 N 1.27 3.98 0.57 1.40 1.01 -1.26 -2.49 120.40 124.87 1r57 s VAL 43 Ca 0.00 -0.30 -0.18 0.00 0.00 0.00 0.00 61.98 61.50 1r57 s VAL 43 Cb -0.21 -2.82 -0.04 0.00 0.00 0.00 0.00 36.38 33.31 1r57 s VAL 43 CO -0.01 0.40 1.12 -0.44 0.00 0.00 0.00 175.10 176.18 1r57 s SER 44 N 1.22 5.56 -0.18 3.32 0.01 -1.03 -4.96 113.70 117.65 1r57 s SER 44 Ca 0.04 2.12 0.16 0.00 1.31 0.00 0.00 55.95 59.58 1r57 s SER 44 Cb -0.15 -2.57 0.55 0.00 0.21 0.00 0.00 66.02 64.07 1r57 s SER 44 CO 0.01 -1.33 1.45 0.47 0.41 0.00 0.00 173.24 174.26 1r57 n ASP 45 N -1.61 4.05 0.26 2.44 8.00 -1.26 -4.71 116.55 123.73 1r57 n ASP 45 Ca 0.11 -2.96 0.15 0.00 0.71 0.00 0.00 54.79 52.80 1r57 n ASP 45 Cb 0.51 -0.55 0.85 0.00 -0.02 0.00 0.00 41.12 41.91 1r57 n ASP 45 CO 0.00 0.00 0.00 1.05 -0.39 0.00 0.00 177.20 177.86 1r57 h GLU 46 N 2.07 0.00 -0.47 -1.24 4.11 -1.98 0.14 114.58 117.21 1r57 h GLU 46 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1r57 h GLU 46 Cb 1.47 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.72 1r57 h GLU 46 CO 0.24 0.00 0.00 1.28 0.07 0.00 0.00 179.01 180.60 1r57 n LEU 47 N -3.96 3.27 -3.11 3.06 4.77 -1.26 -4.99 117.00 114.77 1r57 n LEU 47 Ca -0.02 -2.01 -0.14 0.00 -0.03 0.00 0.00 56.01 53.82 1r57 n LEU 47 Cb 0.15 -0.32 0.07 0.00 -2.33 0.00 0.00 43.42 40.99 1r57 n LEU 47 CO 0.29 0.81 0.04 0.61 -1.33 0.00 0.00 177.39 177.81 1r57 n GLY 48 N 0.87 -0.87 0.19 -0.72 0.00 0.50 -4.79 105.19 100.37 1r57 n GLY 48 Ca 0.16 0.44 0.00 0.00 0.00 0.00 0.00 46.02 46.62 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 -1.23 -0.08 3.27 -0.02 0.00 -1.26 -5.12 105.19 100.74 1r57 n GLY 49 Ca -0.10 -1.00 -0.19 0.00 0.00 0.00 0.00 46.02 44.73 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 -2.24 1.09 0.00 1.61 -0.21 -1.26 -5.01 119.66 113.64 1r57 s GLN 50 Ca 0.00 -1.27 0.30 0.00 0.02 0.00 0.00 55.36 54.40 1r57 s GLN 50 Cb 0.00 -1.05 1.72 0.00 1.00 0.00 0.00 33.01 34.68 1r57 s GLN 50 CO 0.00 0.21 2.09 0.41 -2.12 0.00 0.00 175.29 175.88 1r57 n GLY 51 N 0.53 -0.98 0.35 3.09 0.00 -1.26 -3.59 105.19 103.33 1r57 n GLY 51 Ca -0.15 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.69 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 1.13 0.44 1.61 2.07 -2.00 -2.91 116.25 116.59 1r57 h VAL 52 Ca 0.00 -0.39 -0.02 0.00 0.82 0.00 0.00 66.70 67.11 1r57 h VAL 52 Cb 0.04 -0.12 0.00 0.00 -1.52 0.00 0.00 31.29 29.70 1r57 h VAL 52 CO 0.00 0.21 -0.21 1.23 0.02 0.00 0.00 177.57 178.82 1r57 h GLY 53 N 1.14 -0.62 2.00 2.17 0.00 -1.99 -2.95 103.07 102.82 1r57 h GLY 53 Ca 0.38 0.23 -0.04 0.00 0.00 0.00 0.00 47.33 47.90 1r57 h GLY 53 CO -0.14 -0.23 -0.21 1.70 0.00 0.00 0.00 176.54 177.67 1r57 h LYS 54 N -0.83 0.00 -0.12 4.80 3.64 -1.81 -0.93 116.57 121.32 1r57 h LYS 54 Ca -0.06 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.31 1r57 h LYS 54 Cb 0.56 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.37 1r57 h LYS 54 CO 0.10 0.21 0.06 0.87 -2.27 0.00 0.00 179.45 178.41 1r57 h LYS 55 N 0.00 0.17 -0.33 1.90 1.57 -1.48 0.66 116.57 119.06 1r57 h LYS 55 Ca -0.00 -0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 58.69 1r57 h LYS 55 Cb 0.54 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.81 1r57 h LYS 55 CO 0.03 0.24 -0.04 -0.07 -0.57 0.00 0.00 179.45 179.03 1r57 h LEU 56 N 0.07 0.61 -0.25 2.94 3.38 -1.23 -2.37 115.31 118.46 1r57 h LEU 56 Ca 0.04 -0.34 0.00 0.00 0.09 0.00 0.00 57.88 57.67 1r57 h LEU 56 Cb 0.12 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 1r57 h LEU 56 CO -0.01 0.81 0.16 -0.07 0.09 0.00 0.00 178.44 179.42 1r57 h LEU 57 N 0.40 0.29 -1.21 1.67 4.07 -1.14 -2.72 115.31 116.67 1r57 h LEU 57 Ca 0.09 -0.03 -0.06 0.00 0.08 0.00 0.00 57.88 57.96 1r57 h LEU 57 Cb 0.52 -0.07 -0.01 0.00 1.08 0.00 0.00 40.66 42.17 1r57 h LEU 57 CO 0.03 0.23 -0.12 0.50 -1.08 0.00 0.00 178.44 178.00 1r57 h LYS 58 N 0.32 0.40 -0.69 1.13 3.64 -0.83 -1.34 116.57 119.19 1r57 h LYS 58 Ca 0.09 -0.10 0.04 0.00 -1.27 0.00 0.00 60.65 59.41 1r57 h LYS 58 Cb -0.01 -0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 31.71 1r57 h LYS 58 CO -0.02 0.52 0.42 0.00 -2.27 0.00 0.00 179.45 178.11 1r57 h ALA 59 N 1.51 0.92 -0.21 5.00 0.00 -1.12 0.28 119.26 125.64 1r57 h ALA 59 Ca 0.07 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 1r57 h ALA 59 Cb 0.44 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 1r57 h ALA 59 CO 0.03 0.17 -0.15 0.28 0.00 0.00 0.00 179.25 179.57 1r57 h VAL 60 N 0.81 1.32 -0.79 0.00 2.07 -1.20 -2.79 116.25 115.67 1r57 h VAL 60 Ca 0.29 -1.27 -0.05 0.00 0.82 0.00 0.00 66.70 66.49 1r57 h VAL 60 Cb 0.07 1.69 -0.03 0.00 -1.52 0.00 0.00 31.29 31.50 1r57 h VAL 60 CO -0.13 0.39 0.31 0.58 0.02 0.00 0.00 177.57 178.74 1r57 h VAL 61 N 0.16 1.26 -0.73 2.57 2.07 -0.85 -0.40 116.25 120.34 1r57 h VAL 61 Ca 0.04 -0.83 -0.05 0.00 0.82 0.00 0.00 66.70 66.68 1r57 h VAL 61 Cb 0.67 0.32 -0.03 0.00 -1.52 0.00 0.00 31.29 30.73 1r57 h VAL 61 CO 0.04 0.34 0.26 -0.08 0.02 0.00 0.00 177.57 178.15 1r57 h GLU 62 N 1.15 1.11 0.00 1.57 4.81 -0.46 -1.04 114.58 121.72 1r57 h GLU 62 Ca 0.26 -0.22 -0.09 0.00 -0.13 0.00 0.00 59.36 59.18 1r57 h GLU 62 Cb 0.22 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 1r57 h GLU 62 CO -0.02 0.93 -0.44 1.25 -0.73 0.00 0.00 179.01 179.99 1r57 h HIS 63 N 1.06 0.00 -0.35 0.92 2.76 -1.18 -2.44 115.15 115.92 1r57 h HIS 63 Ca 0.24 0.00 -0.11 0.00 -2.20 0.00 0.00 60.37 58.30 1r57 h HIS 63 Cb 0.26 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.20 1r57 h HIS 63 CO 0.02 0.44 -0.23 0.00 -1.30 0.00 0.00 177.93 176.86 1r57 h ALA 64 N 1.56 0.94 -0.16 5.26 0.00 -0.32 -2.50 119.26 124.03 1r57 h ALA 64 Ca -0.00 -0.36 -0.06 0.00 0.00 0.00 0.00 54.91 54.48 1r57 h ALA 64 Cb 0.92 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 1r57 h ALA 64 CO 0.06 0.61 -0.17 0.00 0.00 0.00 0.00 179.25 179.75 1r57 h ARG 65 N 0.60 0.27 0.36 0.00 2.47 -0.77 0.14 114.38 117.46 1r57 h ARG 65 Ca 0.08 -0.07 -0.02 0.00 -1.26 0.00 0.00 59.98 58.71 1r57 h ARG 65 Cb 0.72 -0.03 0.00 0.00 -1.65 0.00 0.00 29.97 29.01 1r57 h ARG 65 CO 0.06 0.44 -0.17 1.49 0.56 0.00 0.00 179.97 182.34 1r57 h GLU 66 N 0.25 -0.47 -0.60 0.04 4.81 -1.04 -3.32 114.58 114.25 1r57 h GLU 66 Ca 0.05 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 1r57 h GLU 66 Cb 0.45 0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.94 1r57 h GLU 66 CO 0.03 -0.31 0.00 0.09 -0.73 0.00 0.00 179.01 178.09 1r57 n ASN 67 N -3.51 4.89 -3.07 1.04 3.02 -1.12 -4.96 115.26 111.54 1r57 n ASN 67 Ca -0.06 -2.57 -0.02 0.00 -0.03 0.00 0.00 54.58 51.89 1r57 n ASN 67 Cb 0.19 -0.59 0.00 0.00 -0.61 0.00 0.00 39.78 38.77 1r57 n ASN 67 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1r57 n ASN 68 N 0.91 -7.69 -4.78 6.41 5.15 -0.51 -4.99 115.26 109.75 1r57 n ASN 68 Ca 0.26 -0.04 -0.34 0.00 -0.60 0.00 0.00 54.58 53.85 1r57 n ASN 68 Cb 0.95 -5.16 -0.07 0.00 -0.53 0.00 0.00 39.78 34.96 1r57 n ASN 68 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1r57 s LEU 69 N -3.88 3.93 -0.33 1.20 1.43 0.37 -4.84 118.68 116.57 1r57 s LEU 69 Ca 0.03 0.22 -0.14 0.00 -1.03 0.00 0.00 54.13 53.21 1r57 s LEU 69 Cb -0.01 -2.12 -0.02 0.00 0.03 0.00 0.00 46.19 44.07 1r57 s LEU 69 CO 0.76 0.33 0.31 -0.54 0.23 0.00 0.00 176.35 177.44 1r57 s LYS 70 N -1.37 3.61 -0.32 1.70 1.02 0.46 -4.81 119.74 120.02 1r57 s LYS 70 Ca 0.19 -0.44 -0.20 0.00 0.02 0.00 0.00 55.97 55.54 1r57 s LYS 70 Cb -0.12 -3.78 -0.01 0.00 -0.52 0.00 0.00 37.83 33.40 1r57 s LYS 70 CO 0.09 -0.45 0.61 0.42 -0.92 0.00 0.00 175.35 175.09 1r57 s ILE 71 N 1.92 4.95 -0.14 2.17 1.01 -0.70 -1.46 121.20 128.94 1r57 s ILE 71 Ca 0.10 0.73 0.02 0.00 0.00 0.00 0.00 60.65 61.50 1r57 s ILE 71 Cb -0.17 -4.00 0.02 0.00 0.01 0.00 0.00 42.46 38.32 1r57 s ILE 71 CO 0.11 -0.17 -0.19 0.27 0.00 0.00 0.00 174.94 174.97 1r57 s ILE 72 N 2.58 1.85 -0.34 2.92 -4.36 -0.52 -2.49 121.20 120.85 1r57 s ILE 72 Ca 0.24 -0.83 -0.14 0.00 -0.26 0.00 0.00 60.65 59.65 1r57 s ILE 72 Cb -0.15 -1.67 -0.02 0.00 1.25 0.00 0.00 42.46 41.88 1r57 s ILE 72 CO 0.12 0.51 0.31 0.00 0.24 0.00 0.00 174.94 176.13 1r57 s ALA 73 N 1.09 3.50 0.08 2.27 0.00 -1.26 -0.59 121.76 126.84 1r57 s ALA 73 Ca -0.02 -1.26 -0.07 0.00 0.00 0.00 0.00 51.96 50.61 1r57 s ALA 73 Cb -0.14 -2.76 -0.26 0.00 0.00 0.00 0.00 23.12 19.96 1r57 s ALA 73 CO -0.06 -1.01 1.14 0.77 0.00 0.00 0.00 175.76 176.60 1r57 h SER 74 N 8.46 0.55 -2.76 0.00 0.02 -0.93 -3.44 113.55 115.46 1r57 h SER 74 Ca -0.30 -0.55 -0.55 0.00 -0.84 0.00 0.00 61.79 59.54 1r57 h SER 74 Cb 1.15 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 63.51 1r57 h SER 74 CO 0.67 1.41 0.96 0.00 -1.14 0.00 0.00 176.83 178.73 1r57 h SER 76 N 8.59 0.73 0.59 0.00 4.64 -1.89 0.20 113.55 126.40 1r57 h SER 76 Ca -0.38 -0.01 -0.03 0.00 -0.47 0.00 0.00 61.79 60.91 1r57 h SER 76 Cb 1.17 -0.17 0.01 0.00 -0.31 0.00 0.00 62.40 63.10 1r57 h SER 76 CO 0.93 0.50 -0.28 0.15 -0.87 0.00 0.00 176.83 177.26 1r57 h PHE 77 N 0.85 -0.73 -0.08 4.77 3.57 -1.90 -2.22 116.94 121.19 1r57 h PHE 77 Ca 0.28 -0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.72 1r57 h PHE 77 Cb 0.05 0.24 -0.01 0.00 2.79 0.00 0.00 35.95 39.03 1r57 h PHE 77 CO -0.00 -0.43 -0.12 0.00 -2.23 0.00 0.00 178.31 175.53 1r57 h ALA 78 N -0.48 1.65 -0.94 2.41 0.00 -1.75 -0.87 119.26 119.27 1r57 h ALA 78 Ca -0.08 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.67 1r57 h ALA 78 Cb 0.63 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.32 1r57 h ALA 78 CO 0.13 0.26 0.62 -0.22 0.00 0.00 0.00 179.25 180.04 1r57 h LYS 79 N 0.12 1.25 0.00 0.00 3.11 -0.38 -2.24 116.57 118.43 1r57 h LYS 79 Ca 0.03 -0.08 -0.09 0.00 -2.81 0.00 0.00 60.65 57.70 1r57 h LYS 79 Cb 0.30 -0.28 -0.01 0.00 -1.00 0.00 0.00 32.23 31.23 1r57 h LYS 79 CO 0.02 0.84 -0.80 0.45 -2.81 0.00 0.00 179.45 177.14 1r57 h HIS 80 N 1.29 0.00 0.55 1.91 3.86 -0.78 -3.09 115.15 118.89 1r57 h HIS 80 Ca 0.34 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.53 1r57 h HIS 80 Cb -0.13 0.00 0.01 0.00 1.06 0.00 0.00 27.41 28.34 1r57 h HIS 80 CO -0.00 0.35 -0.26 0.52 0.86 0.00 0.00 177.93 179.40 1r57 h MET 81 N 0.00 -0.71 0.00 2.45 2.86 -0.65 -1.31 114.93 117.56 1r57 h MET 81 Ca -0.05 0.05 -0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1r57 h MET 81 Cb 1.31 0.16 -0.00 0.00 0.06 0.00 0.00 31.60 33.13 1r57 h MET 81 CO 0.04 -0.46 -0.01 -0.07 1.06 0.00 0.00 176.91 177.46 1r57 h LEU 82 N -0.75 0.00 -0.34 1.22 3.38 -1.56 -2.89 115.31 114.37 1r57 h LEU 82 Ca -0.08 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.77 1r57 h LEU 82 Cb 0.57 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 1r57 h LEU 82 CO 0.12 0.01 -0.59 -0.08 0.09 0.00 0.00 178.44 178.00 1r57 h GLU 83 N 0.00 0.00 -0.13 1.13 4.81 -1.37 -3.07 114.58 115.95 1r57 h GLU 83 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1r57 h GLU 83 Cb 0.54 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.92 1r57 h GLU 83 CO 0.00 0.59 0.00 1.63 -0.73 0.00 0.00 179.01 180.50 1r57 n LYS 84 N -3.39 1.95 -3.98 1.92 4.76 -0.53 -4.67 118.16 114.22 1r57 n LYS 84 Ca 0.01 -1.41 -0.33 0.00 -2.87 0.00 0.00 58.31 53.71 1r57 n LYS 84 Cb 0.70 -1.45 -0.14 0.00 -1.84 0.00 0.00 35.03 32.30 1r57 n LYS 84 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 1r57 s GLU 85 N -1.85 2.11 0.50 1.97 2.56 -1.16 -4.97 118.70 117.86 1r57 s GLU 85 Ca 0.34 -1.49 0.27 0.00 0.00 0.00 0.00 54.97 54.10 1r57 s GLU 85 Cb 0.20 -3.12 1.29 0.00 2.00 0.00 0.00 34.13 34.51 1r57 s GLU 85 CO 0.30 -0.72 1.99 0.22 -0.56 0.00 0.00 175.26 176.49 1r57 h ASP 86 N 7.83 0.00 0.73 -1.70 3.58 -1.83 -1.64 116.42 123.40 1r57 h ASP 86 Ca -0.16 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.29 1r57 h ASP 86 Cb 1.04 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.09 1r57 h ASP 86 CO 0.52 0.15 0.00 -1.20 -2.88 0.00 0.00 179.24 175.83 1r57 n SER 87 N -3.50 0.54 -0.00 2.28 7.64 -1.26 -1.68 113.62 117.64 1r57 n SER 87 Ca -0.01 0.63 0.08 0.00 1.01 0.00 0.00 58.87 60.58 1r57 n SER 87 Cb 0.30 -0.74 -0.10 0.00 -1.01 0.00 0.00 64.21 62.66 1r57 n SER 87 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1r57 n TYR 88 N -2.09 0.00 -2.49 1.43 4.01 -0.63 -4.79 117.16 112.60 1r57 n TYR 88 Ca 0.03 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.34 1r57 n TYR 88 Cb 0.23 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.25 1r57 n TYR 88 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 1r57 n GLN 89 N -1.43 3.16 0.00 -0.72 6.02 -0.68 -3.31 117.38 120.42 1r57 n GLN 89 Ca 0.03 -3.22 0.00 0.00 -0.01 0.00 0.00 57.00 53.81 1r57 n GLN 89 Cb 0.28 -3.46 0.00 0.00 1.02 0.00 0.00 30.24 28.08 1r57 n GLN 89 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 1r57 n ASP 90 N 8.02 0.00 0.03 1.08 2.03 -1.26 -4.90 116.55 121.54 1r57 n ASP 90 Ca 0.49 0.00 0.11 0.00 0.52 0.00 0.00 54.79 55.91 1r57 n ASP 90 Cb 0.45 0.16 -0.03 0.00 -0.72 0.00 0.00 41.12 40.98 1r57 n ASP 90 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 1r57 n VAL 91 N -1.74 0.17 -3.25 5.18 0.24 -1.21 -4.87 118.33 112.85 1r57 n VAL 91 Ca 0.00 -0.31 -0.38 0.00 -2.04 0.00 0.00 64.34 61.60 1r57 n VAL 91 Cb 0.00 0.17 -0.06 0.00 -1.47 0.00 0.00 33.84 32.48 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 -3.27 3.54 -0.96 6.34 5.04 -1.21 -1.71 117.35 125.12 1r57 s TYR 92 Ca 0.01 0.99 -0.19 0.00 -2.44 0.00 0.00 57.07 55.44 1r57 s TYR 92 Cb 0.14 -2.61 0.12 0.00 0.35 0.00 0.00 41.96 39.96 1r57 s TYR 92 CO 0.83 0.17 1.19 -0.51 -1.34 0.00 0.00 175.55 175.89 1r57 s LEU 93 N 0.58 4.82 -1.23 6.97 1.43 -1.04 -4.88 118.68 125.33 1r57 s LEU 93 Ca 0.29 -1.99 -0.11 0.00 -1.03 0.00 0.00 54.13 51.29 1r57 s LEU 93 Cb -0.16 -2.43 0.19 0.00 0.03 0.00 0.00 46.19 43.82 1r57 s LEU 93 CO 0.13 -1.12 1.62 0.61 0.23 0.00 0.00 176.35 177.82 1r57 n GLY 94 N 5.65 4.18 3.58 -3.19 0.00 -1.26 -4.90 105.19 109.24 1r57 n GLY 94 Ca 0.26 -2.13 -0.05 0.00 0.00 0.00 0.00 46.02 44.10 1r57 n GLY 94 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1r57 s LEU 95 N 0.32 -0.23 0.92 0.99 2.96 -1.26 -5.17 118.68 117.21 1r57 s LEU 95 Ca 0.40 -0.06 -0.14 0.00 -0.22 0.00 0.00 54.13 54.11 1r57 s LEU 95 Cb 0.03 1.73 0.15 0.00 0.50 0.00 0.00 46.19 48.60 1r57 s LEU 95 CO 0.01 -0.47 1.20 -1.61 -1.32 0.00 0.00 176.35 174.15 1r57 s GLU 96 N -2.80 1.03 -1.29 1.98 8.01 -1.26 -4.93 118.70 119.43 1r57 s GLU 96 Ca 0.08 0.02 -0.18 0.00 0.01 0.00 0.00 54.97 54.89 1r57 s GLU 96 Cb -0.00 -1.85 0.06 0.00 -4.31 0.00 0.00 34.13 28.02 1r57 s GLU 96 CO -0.06 -2.22 1.76 -3.38 0.01 0.00 0.00 175.26 171.37 1r57 s HIS 97 N -3.51 2.70 -2.73 1.61 -3.43 -1.26 -4.62 115.29 104.06 1r57 s HIS 97 Ca 0.67 -1.44 0.25 0.00 -0.80 0.00 0.00 55.06 53.74 1r57 s HIS 97 Cb -0.10 -4.69 0.32 0.00 -1.43 0.00 0.00 32.58 26.68 1r57 s HIS 97 CO 0.52 -1.75 1.32 1.58 -2.00 0.00 0.00 174.74 174.41 1r57 n HIS 98 N 8.95 0.00 -3.15 0.38 -0.00 -1.26 -4.86 115.22 115.28 1r57 n HIS 98 Ca 0.49 0.00 -0.40 0.00 0.46 0.00 0.00 57.72 58.26 1r57 n HIS 98 Cb 0.46 -0.00 -0.07 0.00 -0.12 0.00 0.00 29.99 30.26 1r57 n HIS 98 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 1r57 s HIS 99 N -2.09 3.30 -0.02 1.57 3.76 -1.26 -4.97 115.29 115.58 1r57 s HIS 99 Ca 0.28 0.79 -0.01 0.00 -0.15 0.00 0.00 55.06 55.97 1r57 s HIS 99 Cb 0.20 -2.79 -0.00 0.00 1.11 0.00 0.00 32.58 31.09 1r57 s HIS 99 CO 0.36 -0.28 -0.01 0.45 -0.85 0.00 0.00 174.74 174.41 1r57 h HIS 100 N 7.83 0.00 0.00 1.40 3.86 -2.02 -3.48 115.15 122.74 1r57 h HIS 100 Ca -0.28 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.93 1r57 h HIS 100 Cb 1.13 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.60 1r57 h HIS 100 CO 0.74 0.00 0.00 0.72 0.86 0.00 0.00 177.93 180.25 1r57 n HIS 101 N -2.47 0.00 -0.40 2.45 8.25 -1.26 -5.28 115.22 116.51 1r57 n HIS 101 Ca -0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1r57 n HIS 101 Cb 0.02 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.13 1r57 n HIS 101 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70