#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vc0 n GLU 5 N 0.00 -0.90 -4.27 -0.52 0.00 -1.26 -5.05 120.64 108.65 1vc0 n GLU 5 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 57.16 56.97 1vc0 n GLU 5 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 31.44 31.33 1vc0 n GLU 5 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.13 178.12 1vc0 s THR 6 N -0.71 1.45 0.45 3.84 2.01 -1.26 -5.13 115.64 116.28 1vc0 s THR 6 Ca 0.00 -1.80 -0.11 0.00 0.31 0.00 0.00 61.69 60.09 1vc0 s THR 6 Cb 0.00 -1.64 -0.06 0.00 0.01 0.00 0.00 72.50 70.81 1vc0 s THR 6 CO 0.00 -0.42 0.82 -0.13 -0.69 0.00 0.00 174.62 174.20 1vc0 s ARG 7 N -2.79 3.76 0.47 4.92 1.81 -1.26 -4.89 118.95 120.96 1vc0 s ARG 7 Ca 0.11 0.52 -0.22 0.00 -1.72 0.00 0.00 55.73 54.42 1vc0 s ARG 7 Cb -0.05 -2.33 -0.10 0.00 -0.45 0.00 0.00 34.95 32.03 1vc0 s ARG 7 CO 0.04 -0.13 0.83 -2.30 -0.68 0.00 0.00 175.30 173.06 1vc0 n PRO 8 N -1.57 0.98 -3.71 3.54 -0.02 -1.26 -4.77 135.00 128.20 1vc0 n PRO 8 Ca 0.03 0.36 -0.11 0.00 -2.02 0.00 0.00 63.50 61.76 1vc0 n PRO 8 Cb 0.54 -1.89 -0.06 0.00 -0.02 0.00 0.00 33.50 32.07 1vc0 n PRO 8 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 1vc0 s ASN 9 N -0.93 -0.16 0.51 2.55 3.84 -1.26 -5.02 114.94 114.47 1vc0 s ASN 9 Ca 0.66 -0.29 0.25 0.00 0.21 0.00 0.00 52.86 53.69 1vc0 s ASN 9 Cb -0.53 0.41 1.37 0.00 -0.55 0.00 0.00 41.25 41.96 1vc0 s ASN 9 CO 0.55 -0.74 2.06 0.45 -2.79 0.00 0.00 177.10 176.63 1vc0 h HIS 10 N 2.75 0.00 -3.62 0.43 3.86 -1.91 -3.43 115.15 113.23 1vc0 h HIS 10 Ca -0.33 0.00 -0.67 0.00 -1.16 0.00 0.00 60.37 58.21 1vc0 h HIS 10 Cb 1.22 0.00 -0.22 0.00 1.06 0.00 0.00 27.41 29.47 1vc0 h HIS 10 CO 0.39 0.13 -0.72 0.99 0.86 0.00 0.00 177.93 179.58 1vc0 s THR 11 N -4.29 3.45 -0.01 2.45 2.01 -1.26 -1.34 115.64 116.65 1vc0 s THR 11 Ca -0.03 -0.55 0.01 0.00 0.31 0.00 0.00 61.69 61.42 1vc0 s THR 11 Cb 0.14 -2.42 -0.04 0.00 0.01 0.00 0.00 72.50 70.19 1vc0 s THR 11 CO 0.61 0.56 0.02 0.27 -0.69 0.00 0.00 174.62 175.39 1vc0 s ILE 12 N -0.35 4.30 -0.24 1.82 -4.36 -0.54 -1.52 121.20 120.31 1vc0 s ILE 12 Ca 0.04 -0.53 -0.05 0.00 -0.26 0.00 0.00 60.65 59.85 1vc0 s ILE 12 Cb -0.12 -2.92 -0.01 0.00 1.25 0.00 0.00 42.46 40.65 1vc0 s ILE 12 CO 0.02 0.39 0.01 -0.47 0.24 0.00 0.00 174.94 175.14 1vc0 s TYR 13 N -1.09 3.03 -0.10 1.37 6.14 0.24 -1.81 117.35 125.12 1vc0 s TYR 13 Ca 0.20 -0.76 0.00 0.00 0.64 0.00 0.00 57.07 57.15 1vc0 s TYR 13 Cb -0.12 -2.17 -0.02 0.00 0.42 0.00 0.00 41.96 40.07 1vc0 s TYR 13 CO 0.10 -0.48 -0.10 0.42 0.64 0.00 0.00 175.55 176.12 1vc0 s ILE 14 N 1.53 3.34 0.13 3.14 1.01 0.09 -0.91 121.20 129.52 1vc0 s ILE 14 Ca 0.06 -0.58 0.03 0.00 0.00 0.00 0.00 60.65 60.15 1vc0 s ILE 14 Cb -0.15 -2.39 -0.01 0.00 0.01 0.00 0.00 42.46 39.93 1vc0 s ILE 14 CO -0.00 0.55 0.09 -0.46 0.00 0.00 0.00 174.94 175.12 1vc0 n ASN 15 N 2.97 0.03 -1.11 3.58 6.94 -0.33 -0.63 115.26 126.71 1vc0 n ASN 15 Ca -0.18 -1.80 -0.11 0.00 -0.02 0.00 0.00 54.58 52.48 1vc0 n ASN 15 Cb 0.53 0.56 -0.02 0.00 -2.36 0.00 0.00 39.78 38.49 1vc0 n ASN 15 CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 177.26 173.03 1vc0 n ASN 16 N -2.37 -3.81 -4.85 0.53 4.05 -0.87 -2.06 115.26 105.88 1vc0 n ASN 16 Ca 0.02 0.08 -0.32 0.00 0.45 0.00 0.00 54.58 54.81 1vc0 n ASN 16 Cb 0.22 -2.80 -0.05 0.00 1.23 0.00 0.00 39.78 38.39 1vc0 n ASN 16 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 1vc0 s LEU 17 N -2.92 3.86 0.03 1.20 1.43 -0.69 -4.67 118.68 116.92 1vc0 s LEU 17 Ca 0.00 1.35 -0.30 0.00 -1.03 0.00 0.00 54.13 54.15 1vc0 s LEU 17 Cb 0.00 -4.22 -0.08 0.00 0.03 0.00 0.00 46.19 41.92 1vc0 s LEU 17 CO 0.00 -0.39 1.81 0.21 0.23 0.00 0.00 176.35 178.21 1vc0 s ASN 18 N -2.77 6.53 0.09 2.29 3.84 -1.26 -4.53 114.94 119.13 1vc0 s ASN 18 Ca 0.55 2.54 0.27 0.00 0.21 0.00 0.00 52.86 56.42 1vc0 s ASN 18 Cb -0.10 -2.54 1.02 0.00 -0.55 0.00 0.00 41.25 39.08 1vc0 s ASN 18 CO 0.25 -0.98 1.83 -0.62 -2.79 0.00 0.00 177.10 174.79 1vc0 n GLU 19 N 6.80 0.11 0.00 0.43 1.02 -1.26 -3.25 120.64 124.48 1vc0 n GLU 19 Ca 0.18 0.12 0.14 0.00 -0.02 0.00 0.00 57.16 57.59 1vc0 n GLU 19 Cb 0.41 -1.63 0.67 0.00 -0.02 0.00 0.00 31.44 30.86 1vc0 n GLU 19 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1vc0 n LYS 20 N -1.82 0.26 -2.95 3.49 5.02 -1.26 -4.83 118.16 116.06 1vc0 n LYS 20 Ca 0.06 -0.02 -0.40 0.00 -2.02 0.00 0.00 58.31 55.93 1vc0 n LYS 20 Cb 0.35 -1.50 -0.04 0.00 -0.02 0.00 0.00 35.03 33.82 1vc0 n LYS 20 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1vc0 s ILE 21 N -2.76 4.97 0.70 -0.18 1.09 -1.20 -5.03 121.20 118.79 1vc0 s ILE 21 Ca 0.22 1.63 -0.16 0.00 -1.10 0.00 0.00 60.65 61.24 1vc0 s ILE 21 Cb 0.20 -4.12 0.02 0.00 -1.06 0.00 0.00 42.46 37.50 1vc0 s ILE 21 CO 0.50 0.24 1.21 -0.54 -0.10 0.00 0.00 174.94 176.25 1vc0 s LYS 22 N 0.78 2.33 0.16 2.79 1.02 -1.26 -4.79 119.74 120.77 1vc0 s LYS 22 Ca 0.41 1.79 -0.20 0.00 0.02 0.00 0.00 55.97 58.00 1vc0 s LYS 22 Cb -0.19 -1.85 0.07 0.00 -0.52 0.00 0.00 37.83 35.33 1vc0 s LYS 22 CO 0.21 -1.70 1.64 -0.22 -0.92 0.00 0.00 175.35 174.37 1vc0 h LYS 23 N -0.01 -0.14 -0.50 1.68 3.64 -1.96 -1.40 116.57 117.89 1vc0 h LYS 23 Ca -0.48 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 58.90 1vc0 h LYS 23 Cb 1.30 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 33.13 1vc0 h LYS 23 CO 0.51 -0.09 0.31 0.22 -2.27 0.00 0.00 179.45 178.13 1vc0 h ASP 24 N -0.14 0.59 -0.20 4.20 3.58 -1.98 -1.79 116.42 120.68 1vc0 h ASP 24 Ca 0.17 -0.05 -0.04 0.00 0.42 0.00 0.00 57.03 57.53 1vc0 h ASP 24 Cb 0.40 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 41.29 1vc0 h ASP 24 CO -0.41 0.46 -0.03 -0.08 -2.88 0.00 0.00 179.24 176.30 1vc0 h GLU 25 N 0.66 0.37 -0.66 0.28 4.81 -1.89 -2.24 114.58 115.91 1vc0 h GLU 25 Ca 0.18 -0.13 0.08 0.00 -0.13 0.00 0.00 59.36 59.36 1vc0 h GLU 25 Cb -0.03 -0.03 -0.06 0.00 0.63 0.00 0.00 28.75 29.26 1vc0 h GLU 25 CO -0.04 0.60 0.32 1.25 -0.73 0.00 0.00 179.01 180.42 1vc0 h LEU 26 N 0.11 0.43 -0.73 1.64 5.85 -1.14 0.30 115.31 121.75 1vc0 h LEU 26 Ca 0.05 0.05 -0.04 0.00 0.84 0.00 0.00 57.88 58.79 1vc0 h LEU 26 Cb 0.45 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.43 1vc0 h LEU 26 CO 0.02 0.26 0.32 0.11 -0.34 0.00 0.00 178.44 178.80 1vc0 h LYS 27 N 0.57 1.08 0.27 1.25 1.57 -1.26 -0.13 116.57 119.92 1vc0 h LYS 27 Ca 0.32 -0.18 -0.01 0.00 -1.87 0.00 0.00 60.65 58.90 1vc0 h LYS 27 Cb 0.31 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.44 1vc0 h LYS 27 CO -0.25 0.87 -0.13 0.87 -0.57 0.00 0.00 179.45 180.25 1vc0 h LYS 28 N 1.04 -0.34 -0.84 3.15 1.79 -0.51 -2.10 116.57 118.76 1vc0 h LYS 28 Ca 0.25 0.02 0.05 0.00 -2.18 0.00 0.00 60.65 58.79 1vc0 h LYS 28 Cb 0.17 0.08 -0.06 0.00 -1.58 0.00 0.00 32.23 30.84 1vc0 h LYS 28 CO -0.03 -0.08 0.52 0.77 -1.08 0.00 0.00 179.45 179.56 1vc0 h SER 29 N -0.58 0.84 -0.96 0.86 0.02 -0.41 -1.64 113.55 111.68 1vc0 h SER 29 Ca -0.04 0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 60.92 1vc0 h SER 29 Cb 0.42 -0.17 -0.05 0.00 0.14 0.00 0.00 62.40 62.75 1vc0 h SER 29 CO 0.06 0.55 0.59 -0.07 -1.14 0.00 0.00 176.83 176.82 1vc0 h LEU 30 N 0.98 1.14 -0.88 5.07 3.38 -0.92 -2.01 115.31 122.08 1vc0 h LEU 30 Ca 0.35 -0.06 -0.09 0.00 0.09 0.00 0.00 57.88 58.17 1vc0 h LEU 30 Cb 0.11 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 1vc0 h LEU 30 CO -0.15 0.87 -0.13 -0.74 0.09 0.00 0.00 178.44 178.38 1vc0 h HIS 31 N 1.32 0.76 -0.84 1.13 2.76 -0.66 -0.74 115.15 118.88 1vc0 h HIS 31 Ca 0.34 -0.14 0.04 0.00 -2.20 0.00 0.00 60.37 58.42 1vc0 h HIS 31 Cb -0.07 -0.20 -0.05 0.00 1.55 0.00 0.00 27.41 28.64 1vc0 h HIS 31 CO 0.00 0.79 0.55 0.00 -1.30 0.00 0.00 177.93 177.97 1vc0 h ALA 32 N 1.23 1.50 0.00 5.26 0.00 -0.58 -0.79 119.26 125.88 1vc0 h ALA 32 Ca 0.11 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1vc0 h ALA 32 Cb 0.58 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 1vc0 h ALA 32 CO 0.04 0.42 -1.72 0.44 0.00 0.00 0.00 179.25 178.42 1vc0 n ILE 33 N -4.45 0.27 0.83 0.00 -5.35 -1.06 -4.51 119.36 105.09 1vc0 n ILE 33 Ca 0.11 -0.54 0.09 0.00 -0.27 0.00 0.00 62.75 62.15 1vc0 n ILE 33 Cb 0.12 -0.14 -0.12 0.00 -1.74 0.00 0.00 39.64 37.77 1vc0 n ILE 33 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 1vc0 n PHE 34 N -2.42 0.00 0.30 4.28 3.72 -0.30 -4.46 117.46 118.57 1vc0 n PHE 34 Ca -0.04 0.00 0.18 0.00 -0.05 0.00 0.00 57.45 57.54 1vc0 n PHE 34 Cb 0.60 -0.05 0.90 0.00 -0.94 0.00 0.00 39.48 39.98 1vc0 n PHE 34 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1vc0 h SER 35 N 0.00 0.00 1.05 4.37 4.64 -1.37 -2.70 113.55 119.54 1vc0 h SER 35 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1vc0 h SER 35 Cb 0.52 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.61 1vc0 h SER 35 CO 0.00 0.03 0.00 0.08 -0.87 0.00 0.00 176.83 176.07 1vc0 h ARG 36 N 0.00 0.00 0.00 4.77 0.11 -1.84 -2.86 114.38 114.55 1vc0 h ARG 36 Ca -0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1vc0 h ARG 36 Cb 0.28 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.36 1vc0 h ARG 36 CO 0.00 0.00 -0.07 1.19 0.10 0.00 0.00 179.97 181.20 1vc0 n PHE 37 N -2.61 0.17 0.00 4.08 3.72 -1.02 -5.00 117.46 116.80 1vc0 n PHE 37 Ca 0.02 0.05 0.00 0.00 -0.05 0.00 0.00 57.45 57.47 1vc0 n PHE 37 Cb 0.31 -0.55 0.00 0.00 -0.94 0.00 0.00 39.48 38.30 1vc0 n PHE 37 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1vc0 n GLY 38 N 1.46 2.15 3.73 1.37 0.00 -1.08 -4.33 105.19 108.49 1vc0 n GLY 38 Ca 0.07 -1.60 -0.42 0.00 0.00 0.00 0.00 46.02 44.06 1vc0 n GLY 38 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1vc0 n GLN 39 N -1.69 2.52 -4.14 1.61 7.27 -1.26 -4.68 117.38 117.01 1vc0 n GLN 39 Ca 0.00 0.89 -0.35 0.00 0.07 0.00 0.00 57.00 57.62 1vc0 n GLN 39 Cb 0.00 -2.63 -0.13 0.00 2.41 0.00 0.00 30.24 29.89 1vc0 n GLN 39 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 1vc0 s ILE 40 N -0.28 3.60 0.10 1.69 1.01 -1.26 -2.06 121.20 124.01 1vc0 s ILE 40 Ca 0.62 -0.43 -0.07 0.00 0.00 0.00 0.00 60.65 60.77 1vc0 s ILE 40 Cb -0.53 -2.61 -0.23 0.00 0.01 0.00 0.00 42.46 39.10 1vc0 s ILE 40 CO 0.52 0.45 1.23 -0.07 0.00 0.00 0.00 174.94 177.06 1vc0 h LEU 41 N 7.54 0.61 -7.09 2.97 3.38 -0.40 -3.48 115.31 118.84 1vc0 h LEU 41 Ca -0.36 -0.53 0.26 0.00 0.09 0.00 0.00 57.88 57.33 1vc0 h LEU 41 Cb 1.18 -0.19 -0.16 0.00 0.09 0.00 0.00 40.66 41.57 1vc0 h LEU 41 CO 0.60 1.35 0.77 -0.62 0.09 0.00 0.00 178.44 180.64 1vc0 s ASP 42 N -7.18 -0.14 -0.06 -0.43 2.15 -1.18 -5.03 116.67 104.80 1vc0 s ASP 42 Ca -0.06 -0.05 0.00 0.00 0.43 0.00 0.00 52.55 52.87 1vc0 s ASP 42 Cb 0.08 0.19 0.02 0.00 -0.30 0.00 0.00 42.92 42.91 1vc0 s ASP 42 CO 0.89 -0.32 -0.05 -0.63 -0.17 0.00 0.00 175.17 174.90 1vc0 s ILE 43 N -2.52 0.64 -0.14 4.11 1.01 -1.26 -0.93 121.20 122.10 1vc0 s ILE 43 Ca 0.10 -0.12 -0.01 0.00 0.00 0.00 0.00 60.65 60.62 1vc0 s ILE 43 Cb 0.00 -0.68 -0.01 0.00 0.01 0.00 0.00 42.46 41.78 1vc0 s ILE 43 CO -0.05 0.27 -0.11 -0.76 0.00 0.00 0.00 174.94 174.29 1vc0 s LEU 44 N 1.28 2.79 -0.00 2.97 1.02 -0.43 -4.96 118.68 121.34 1vc0 s LEU 44 Ca -0.05 -0.32 0.01 0.00 0.02 0.00 0.00 54.13 53.79 1vc0 s LEU 44 Cb -0.14 -1.64 -0.00 0.00 0.02 0.00 0.00 46.19 44.43 1vc0 s LEU 44 CO -0.02 0.14 -0.02 -0.69 0.02 0.00 0.00 176.35 175.78 1vc0 s VAL 45 N 0.49 0.17 -0.01 -1.59 1.01 -1.26 -1.63 120.40 117.57 1vc0 s VAL 45 Ca -0.08 -0.11 0.00 0.00 0.00 0.00 0.00 61.98 61.79 1vc0 s VAL 45 Cb -0.15 -0.15 0.01 0.00 0.00 0.00 0.00 36.38 36.08 1vc0 s VAL 45 CO 0.04 0.03 0.00 -0.55 0.00 0.00 0.00 175.10 174.62 1vc0 s SER 46 N -0.09 0.12 0.00 3.32 0.15 -1.26 -5.04 113.70 110.90 1vc0 s SER 46 Ca 0.00 -0.00 0.20 0.00 0.70 0.00 0.00 55.95 56.85 1vc0 s SER 46 Cb -0.01 -0.04 0.54 0.00 -1.71 0.00 0.00 66.02 64.80 1vc0 s SER 46 CO -0.00 -0.03 1.45 0.54 1.20 0.00 0.00 173.24 176.40 1vc0 n ARG 47 N 3.38 2.38 -0.82 5.44 5.12 -1.26 -2.81 116.66 128.09 1vc0 n ARG 47 Ca -0.17 -2.12 -0.32 0.00 -1.93 0.00 0.00 57.85 53.31 1vc0 n ARG 47 Cb 0.57 -1.48 0.15 0.00 -1.16 0.00 0.00 32.46 30.54 1vc0 n ARG 47 CO 0.00 0.00 0.00 -1.13 -1.93 0.00 0.00 177.63 174.57 1vc0 n SER 48 N 1.25 0.31 -0.30 0.55 3.41 -1.26 -4.42 113.62 113.16 1vc0 n SER 48 Ca 0.20 0.46 0.09 0.00 -0.26 0.00 0.00 58.87 59.36 1vc0 n SER 48 Cb 0.52 -1.46 0.22 0.00 -0.26 0.00 0.00 64.21 63.23 1vc0 n SER 48 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1vc0 h LEU 49 N -1.57 -0.37 -0.09 1.04 5.85 -1.97 0.77 115.31 118.97 1vc0 h LEU 49 Ca -0.44 0.23 -0.23 0.00 0.84 0.00 0.00 57.88 58.28 1vc0 h LEU 49 Cb 1.28 0.39 -0.00 0.00 0.37 0.00 0.00 40.66 42.70 1vc0 h LEU 49 CO 0.42 -0.24 -1.03 0.50 -0.34 0.00 0.00 178.44 177.75 1vc0 h LYS 50 N 0.08 0.25 -0.03 1.25 3.64 -1.96 -3.36 116.57 116.45 1vc0 h LYS 50 Ca 0.49 -0.33 0.00 0.00 -1.27 0.00 0.00 60.65 59.55 1vc0 h LYS 50 Cb 0.94 0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.86 1vc0 h LYS 50 CO -0.76 1.08 -0.04 -1.33 -2.27 0.00 0.00 179.45 176.12 1vc0 n MET 51 N -3.60 1.96 -2.04 1.90 2.81 -0.82 -4.99 117.12 112.34 1vc0 n MET 51 Ca -0.06 -1.71 -0.35 0.00 -1.81 0.00 0.00 57.70 53.77 1vc0 n MET 51 Cb 0.90 -1.42 0.03 0.00 -0.71 0.00 0.00 33.22 32.02 1vc0 n MET 51 CO 0.00 0.00 0.00 -0.98 1.51 0.00 0.00 175.97 176.50 1vc0 s ARG 52 N -1.87 3.05 0.00 0.03 1.70 0.20 -3.15 118.95 118.91 1vc0 s ARG 52 Ca 0.25 1.65 0.00 0.00 -0.47 0.00 0.00 55.73 57.15 1vc0 s ARG 52 Cb 0.18 -1.96 0.00 0.00 -0.57 0.00 0.00 34.95 32.60 1vc0 s ARG 52 CO 0.30 -1.10 0.00 0.41 -1.08 0.00 0.00 175.30 173.83 1vc0 n GLY 53 N 0.16 0.66 3.27 3.88 0.00 -1.26 -4.98 105.19 106.92 1vc0 n GLY 53 Ca 0.12 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.99 1vc0 n GLY 53 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1vc0 s GLN 54 N -0.02 1.14 0.05 1.61 -0.21 -1.19 -1.70 119.66 119.34 1vc0 s GLN 54 Ca 0.00 -1.53 -0.25 0.00 0.02 0.00 0.00 55.36 53.61 1vc0 s GLN 54 Cb 0.00 -0.51 0.06 0.00 1.00 0.00 0.00 33.01 33.56 1vc0 s GLN 54 CO 0.00 -0.03 0.58 0.00 -2.12 0.00 0.00 175.29 173.72 1vc0 s ALA 55 N -3.45 -1.50 -0.24 6.09 0.00 0.20 -4.52 121.76 118.34 1vc0 s ALA 55 Ca 0.21 0.74 0.02 0.00 0.00 0.00 0.00 51.96 52.94 1vc0 s ALA 55 Cb 0.04 0.42 0.05 0.00 0.00 0.00 0.00 23.12 23.64 1vc0 s ALA 55 CO 0.03 -0.54 -0.12 -0.06 0.00 0.00 0.00 175.76 175.07 1vc0 s PHE 56 N -2.48 3.05 -0.30 0.00 0.40 -0.65 -0.73 117.98 117.27 1vc0 s PHE 56 Ca -0.05 -2.10 -0.11 0.00 -0.60 0.00 0.00 56.93 54.07 1vc0 s PHE 56 Cb -0.01 -1.89 -0.03 0.00 0.51 0.00 0.00 43.02 41.61 1vc0 s PHE 56 CO -0.02 -0.85 0.18 0.08 0.70 0.00 0.00 175.22 175.32 1vc0 s VAL 57 N 1.18 5.08 -0.48 -0.44 1.01 -0.75 -1.32 120.40 124.68 1vc0 s VAL 57 Ca -0.05 -0.05 -0.14 0.00 0.00 0.00 0.00 61.98 61.74 1vc0 s VAL 57 Cb -0.18 -3.49 0.09 0.00 0.00 0.00 0.00 36.38 32.80 1vc0 s VAL 57 CO -0.07 0.17 0.40 -0.63 0.00 0.00 0.00 175.10 174.97 1vc0 s ILE 58 N 1.71 5.00 0.43 2.22 1.01 -0.11 -1.47 121.20 130.00 1vc0 s ILE 58 Ca 0.06 -1.27 -0.14 0.00 0.00 0.00 0.00 60.65 59.30 1vc0 s ILE 58 Cb -0.16 -4.07 -0.08 0.00 0.01 0.00 0.00 42.46 38.16 1vc0 s ILE 58 CO 0.09 -0.65 0.85 -0.36 0.00 0.00 0.00 174.94 174.87 1vc0 s PHE 59 N 1.58 3.43 0.13 3.97 0.08 -0.45 0.35 117.98 127.07 1vc0 s PHE 59 Ca 0.04 1.26 -0.09 0.00 0.12 0.00 0.00 56.93 58.26 1vc0 s PHE 59 Cb -0.26 -2.61 -0.08 0.00 -0.57 0.00 0.00 43.02 39.51 1vc0 s PHE 59 CO 0.05 -0.16 1.36 -0.22 -0.10 0.00 0.00 175.22 176.15 1vc0 h LYS 60 N 1.38 0.69 -5.91 0.44 3.64 -1.69 -3.44 116.57 111.69 1vc0 h LYS 60 Ca -0.47 -0.55 -0.68 0.00 -1.27 0.00 0.00 60.65 57.68 1vc0 h LYS 60 Cb 1.18 0.11 -0.32 0.00 -0.41 0.00 0.00 32.23 32.80 1vc0 h LYS 60 CO 0.63 1.16 -0.88 -1.21 -2.27 0.00 0.00 179.45 176.88 1vc0 s GLU 61 N -3.75 2.53 0.52 1.90 2.02 -1.26 -5.03 118.70 115.63 1vc0 s GLU 61 Ca -0.09 -0.88 0.27 0.00 0.02 0.00 0.00 54.97 54.29 1vc0 s GLU 61 Cb 0.09 -2.13 1.39 0.00 0.10 0.00 0.00 34.13 33.58 1vc0 s GLU 61 CO 0.88 0.36 1.93 0.28 0.02 0.00 0.00 175.26 178.73 1vc0 h VAL 62 N 5.13 0.65 -0.37 2.63 2.07 -1.86 -0.93 116.25 123.57 1vc0 h VAL 62 Ca -0.31 -0.02 -0.05 0.00 0.82 0.00 0.00 66.70 67.14 1vc0 h VAL 62 Cb 1.18 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 31.52 1vc0 h VAL 62 CO 0.47 0.01 0.00 0.77 0.02 0.00 0.00 177.57 178.85 1vc0 h SER 63 N 0.06 0.54 0.48 0.57 4.64 -1.95 -1.09 113.55 116.80 1vc0 h SER 63 Ca 0.35 -0.10 -0.02 0.00 -0.47 0.00 0.00 61.79 61.54 1vc0 h SER 63 Cb 1.32 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 1vc0 h SER 63 CO -0.03 0.61 -0.23 0.28 -0.87 0.00 0.00 176.83 176.59 1vc0 h SER 64 N 0.55 -0.54 -0.35 4.97 0.02 -1.36 0.58 113.55 117.41 1vc0 h SER 64 Ca 0.12 -0.03 0.08 0.00 -0.84 0.00 0.00 61.79 61.11 1vc0 h SER 64 Cb 0.35 0.14 -0.08 0.00 0.14 0.00 0.00 62.40 62.95 1vc0 h SER 64 CO 0.01 -0.31 -0.18 0.00 -1.14 0.00 0.00 176.83 175.22 1vc0 h ALA 65 N -0.28 0.08 -0.47 3.77 0.00 -1.43 0.13 119.26 121.06 1vc0 h ALA 65 Ca -0.07 0.13 0.07 0.00 0.00 0.00 0.00 54.91 55.04 1vc0 h ALA 65 Cb 0.54 0.43 -0.06 0.00 0.00 0.00 0.00 17.79 18.70 1vc0 h ALA 65 CO 0.11 -0.56 0.14 1.15 0.00 0.00 0.00 179.25 180.09 1vc0 h THR 66 N -0.12 0.80 0.72 0.00 2.02 -1.07 0.25 112.91 115.51 1vc0 h THR 66 Ca 0.18 -0.10 -0.03 0.00 0.77 0.00 0.00 66.41 67.23 1vc0 h THR 66 Cb 0.39 0.48 -0.01 0.00 -1.74 0.00 0.00 68.15 67.27 1vc0 h THR 66 CO -0.43 0.05 -0.47 0.78 0.37 0.00 0.00 175.52 175.83 1vc0 h ASN 67 N 0.30 -1.20 -0.81 4.18 4.21 0.42 -1.60 115.58 121.08 1vc0 h ASN 67 Ca 0.23 0.07 0.20 0.00 1.21 0.00 0.00 56.30 58.01 1vc0 h ASN 67 Cb 0.26 0.36 -0.13 0.00 -1.12 0.00 0.00 38.32 37.69 1vc0 h ASN 67 CO -0.26 -0.71 0.18 0.00 -1.29 0.00 0.00 177.43 175.35 1vc0 h ALA 68 N -0.99 1.08 0.55 -0.83 0.00 -0.43 0.26 119.26 118.90 1vc0 h ALA 68 Ca -0.09 0.21 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1vc0 h ALA 68 Cb 0.91 0.30 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 1vc0 h ALA 68 CO 0.08 -0.41 -0.33 1.25 0.00 0.00 0.00 179.25 179.84 1vc0 h LEU 69 N 0.22 -0.83 -0.45 0.00 6.46 -0.22 -1.26 115.31 119.22 1vc0 h LEU 69 Ca 0.48 0.05 -0.04 0.00 -0.12 0.00 0.00 57.88 58.25 1vc0 h LEU 69 Cb 0.90 0.24 -0.02 0.00 -0.73 0.00 0.00 40.66 41.05 1vc0 h LEU 69 CO -0.61 -0.52 0.12 0.03 -0.62 0.00 0.00 178.44 176.84 1vc0 h ARG 70 N -0.83 0.71 -0.19 1.25 3.08 -0.26 -2.91 114.38 115.23 1vc0 h ARG 70 Ca -0.07 -0.17 -0.14 0.00 0.07 0.00 0.00 59.98 59.68 1vc0 h ARG 70 Cb 0.68 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.62 1vc0 h ARG 70 CO 0.07 0.70 -0.47 0.77 -1.07 0.00 0.00 179.97 179.97 1vc0 h SER 71 N 0.60 0.54 -0.48 7.04 0.02 -0.51 -3.31 113.55 117.44 1vc0 h SER 71 Ca 0.14 -0.26 0.00 0.00 -0.84 0.00 0.00 61.79 60.83 1vc0 h SER 71 Cb 0.30 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.69 1vc0 h SER 71 CO -0.00 0.93 0.00 0.23 -1.14 0.00 0.00 176.83 176.85 1vc0 n MET 72 N -3.99 3.04 -1.83 3.45 2.81 -0.48 -4.94 117.12 115.17 1vc0 n MET 72 Ca -0.02 -2.47 -0.42 0.00 -1.81 0.00 0.00 57.70 52.98 1vc0 n MET 72 Cb 0.55 -1.54 -0.03 0.00 -0.71 0.00 0.00 33.22 31.49 1vc0 n MET 72 CO 0.00 0.00 0.00 -1.14 1.51 0.00 0.00 175.97 176.34 1vc0 s GLN 73 N -1.41 4.17 -0.10 0.03 2.00 -1.10 -1.87 119.66 121.38 1vc0 s GLN 73 Ca 0.37 2.49 0.00 0.00 -2.00 0.00 0.00 55.36 56.22 1vc0 s GLN 73 Cb 0.22 -3.10 0.00 0.00 0.80 0.00 0.00 33.01 30.93 1vc0 s GLN 73 CO 0.21 -0.66 0.00 0.41 -0.50 0.00 0.00 175.29 174.74 1vc0 n GLY 74 N 3.59 0.44 3.69 2.59 0.00 -0.06 -4.99 105.19 110.43 1vc0 n GLY 74 Ca 0.14 -0.13 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 1vc0 n GLY 74 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1vc0 s PHE 75 N -1.81 2.76 -0.09 1.61 5.36 -0.78 -4.38 117.98 120.65 1vc0 s PHE 75 Ca 0.00 0.73 -0.29 0.00 -0.96 0.00 0.00 56.93 56.41 1vc0 s PHE 75 Cb 0.00 -3.71 -0.06 0.00 -0.34 0.00 0.00 43.02 38.91 1vc0 s PHE 75 CO 0.00 -2.66 1.85 -2.14 -1.46 0.00 0.00 175.22 170.81 1vc0 s PRO 76 N 2.54 3.89 -0.07 10.12 0.02 -1.26 -1.52 135.00 148.72 1vc0 s PRO 76 Ca 0.65 2.18 -0.01 0.00 0.02 0.00 0.00 61.00 63.84 1vc0 s PRO 76 Cb -0.32 -4.13 0.03 0.00 0.02 0.00 0.00 34.50 30.10 1vc0 s PRO 76 CO 0.27 -1.21 -0.01 0.12 -0.33 0.00 0.00 177.00 175.84 1vc0 s PHE 77 N 5.20 0.70 -1.47 6.54 5.36 0.40 -4.76 117.98 129.95 1vc0 s PHE 77 Ca 0.83 -0.19 -0.10 0.00 -0.96 0.00 0.00 56.93 56.51 1vc0 s PHE 77 Cb -0.34 -0.79 0.06 0.00 -0.34 0.00 0.00 43.02 41.60 1vc0 s PHE 77 CO 0.35 -0.32 0.88 0.66 -1.46 0.00 0.00 175.22 175.33 1vc0 n TYR 78 N 5.00 -2.16 -1.19 10.12 4.01 -1.26 -1.38 117.16 130.30 1vc0 n TYR 78 Ca -0.10 0.88 -0.06 0.00 -0.16 0.00 0.00 57.90 58.46 1vc0 n TYR 78 Cb 0.50 -4.06 -0.03 0.00 -0.31 0.00 0.00 39.34 35.44 1vc0 n TYR 78 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 1vc0 n ASP 79 N -2.90 -4.20 -3.82 7.72 8.00 -1.26 -4.73 116.55 115.36 1vc0 n ASP 79 Ca -0.07 0.16 -0.13 0.00 0.71 0.00 0.00 54.79 55.47 1vc0 n ASP 79 Cb 0.57 -2.27 -0.13 0.00 -0.02 0.00 0.00 41.12 39.27 1vc0 n ASP 79 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1vc0 s LYS 80 N -2.19 0.11 -0.14 -1.24 1.02 -0.48 -5.09 119.74 111.73 1vc0 s LYS 80 Ca 0.00 0.17 -0.29 0.00 0.02 0.00 0.00 55.97 55.87 1vc0 s LYS 80 Cb 0.00 0.02 -0.04 0.00 -0.52 0.00 0.00 37.83 37.30 1vc0 s LYS 80 CO 0.00 -0.04 1.57 -2.14 -0.92 0.00 0.00 175.35 173.82 1vc0 s PRO 81 N 0.22 4.03 0.17 -1.68 0.02 -1.26 -0.46 135.00 136.04 1vc0 s PRO 81 Ca -0.01 1.88 -0.31 0.00 0.02 0.00 0.00 61.00 62.57 1vc0 s PRO 81 Cb -0.02 -3.97 -0.09 0.00 0.02 0.00 0.00 34.50 30.44 1vc0 s PRO 81 CO -0.01 -1.01 1.41 1.41 -0.33 0.00 0.00 177.00 178.47 1vc0 s MET 82 N 4.22 4.31 -0.17 5.54 1.75 -0.58 -4.84 119.30 129.53 1vc0 s MET 82 Ca 0.69 2.16 -0.04 0.00 -1.25 0.00 0.00 55.69 57.26 1vc0 s MET 82 Cb -0.28 -3.19 -0.02 0.00 2.84 0.00 0.00 34.83 34.18 1vc0 s MET 82 CO 0.27 -0.42 -0.04 0.50 -0.65 0.00 0.00 175.02 174.68 1vc0 s ARG 83 N 0.55 3.60 0.01 4.11 3.52 -0.87 -0.88 118.95 128.98 1vc0 s ARG 83 Ca 0.63 -0.55 0.08 0.00 -0.13 0.00 0.00 55.73 55.76 1vc0 s ARG 83 Cb -0.39 -2.93 -0.02 0.00 -1.56 0.00 0.00 34.95 30.05 1vc0 s ARG 83 CO 0.35 0.15 -0.24 0.42 -0.81 0.00 0.00 175.30 175.16 1vc0 s ILE 84 N 0.60 1.92 0.24 4.11 1.01 -1.26 -1.19 121.20 126.63 1vc0 s ILE 84 Ca -0.03 -1.16 -0.07 0.00 0.00 0.00 0.00 60.65 59.38 1vc0 s ILE 84 Cb -0.14 -1.62 -0.02 0.00 0.01 0.00 0.00 42.46 40.68 1vc0 s ILE 84 CO 0.03 0.42 0.35 -1.10 0.00 0.00 0.00 174.94 174.64 1vc0 s GLN 85 N -0.88 1.45 0.37 2.79 -0.21 -0.09 -4.99 119.66 118.10 1vc0 s GLN 85 Ca 0.10 -1.44 -0.15 0.00 0.02 0.00 0.00 55.36 53.89 1vc0 s GLN 85 Cb -0.09 0.39 -0.08 0.00 1.00 0.00 0.00 33.01 34.22 1vc0 s GLN 85 CO 0.00 -0.56 0.79 0.71 -2.12 0.00 0.00 175.29 174.12 1vc0 s TYR 86 N -4.00 3.40 0.35 0.91 2.02 -1.26 0.80 117.35 119.57 1vc0 s TYR 86 Ca 0.29 1.24 -0.26 0.00 -0.37 0.00 0.00 57.07 57.97 1vc0 s TYR 86 Cb 0.02 -2.57 -0.09 0.00 -0.40 0.00 0.00 41.96 38.92 1vc0 s TYR 86 CO 0.11 -0.02 1.09 0.00 -1.57 0.00 0.00 175.55 175.16 1vc0 s ALA 87 N -2.16 3.23 0.12 3.71 0.00 -0.58 -4.49 121.76 121.59 1vc0 s ALA 87 Ca 0.55 0.83 -0.22 0.00 0.00 0.00 0.00 51.96 53.12 1vc0 s ALA 87 Cb -0.10 -3.31 -0.05 0.00 0.00 0.00 0.00 23.12 19.65 1vc0 s ALA 87 CO 0.22 -0.24 1.69 0.87 0.00 0.00 0.00 175.76 178.29 1vc0 h LYS 88 N 3.07 -0.12 -5.93 0.00 1.57 -1.92 -3.45 116.57 109.79 1vc0 h LYS 88 Ca -0.48 0.01 -0.61 0.00 -1.87 0.00 0.00 60.65 57.70 1vc0 h LYS 88 Cb 1.22 0.03 -0.13 0.00 0.08 0.00 0.00 32.23 33.43 1vc0 h LYS 88 CO 0.64 -0.08 -0.66 0.95 -0.57 0.00 0.00 179.45 179.73 1vc0 s THR 89 N -6.17 2.30 0.34 -0.16 -4.23 -1.26 -4.94 115.64 101.52 1vc0 s THR 89 Ca -0.14 -2.14 -0.27 0.00 -1.18 0.00 0.00 61.69 57.96 1vc0 s THR 89 Cb 0.09 -2.71 -0.09 0.00 1.34 0.00 0.00 72.50 71.13 1vc0 s THR 89 CO 0.67 -0.18 1.17 -1.81 -0.54 0.00 0.00 174.62 173.93 1vc0 s ASP 90 N -3.64 6.85 0.50 3.99 1.11 -1.26 -4.95 116.67 119.26 1vc0 s ASP 90 Ca 0.33 2.37 -0.19 0.00 0.18 0.00 0.00 52.55 55.25 1vc0 s ASP 90 Cb 0.03 -2.62 -0.08 0.00 1.07 0.00 0.00 42.92 41.31 1vc0 s ASP 90 CO 0.17 -0.45 1.01 -0.44 1.18 0.00 0.00 175.17 176.64 1vc0 s SER 91 N -0.94 6.45 0.22 0.27 0.01 -1.26 -4.87 113.70 113.59 1vc0 s SER 91 Ca 0.51 1.78 -0.08 0.00 1.31 0.00 0.00 55.95 59.47 1vc0 s SER 91 Cb -0.32 -2.54 0.34 0.00 0.21 0.00 0.00 66.02 63.70 1vc0 s SER 91 CO 0.42 -0.70 1.73 0.44 0.41 0.00 0.00 173.24 175.54 1vc0 h ASP 92 N 1.34 0.21 -1.10 2.44 3.32 -1.99 -0.75 116.42 119.89 1vc0 h ASP 92 Ca -0.48 0.09 0.31 0.00 0.02 0.00 0.00 57.03 56.97 1vc0 h ASP 92 Cb 1.20 0.08 -0.10 0.00 0.22 0.00 0.00 39.33 40.73 1vc0 h ASP 92 CO 0.60 0.11 0.71 0.16 -1.72 0.00 0.00 179.24 179.09 1vc0 h ILE 93 N 0.40 0.42 0.16 0.35 -2.65 -1.99 0.25 117.51 114.45 1vc0 h ILE 93 Ca 0.34 -0.11 -0.31 0.00 1.03 0.00 0.00 64.86 65.82 1vc0 h ILE 93 Cb 0.47 0.07 0.01 0.00 -2.05 0.00 0.00 36.82 35.32 1vc0 h ILE 93 CO -0.35 0.06 -1.45 0.40 0.03 0.00 0.00 178.15 176.83 1vc0 h ILE 94 N 0.32 1.27 -0.38 0.16 1.08 -1.53 -3.33 117.51 115.10 1vc0 h ILE 94 Ca 0.66 -2.83 -0.02 0.00 -0.39 0.00 0.00 64.86 62.28 1vc0 h ILE 94 Cb 1.77 2.89 -0.02 0.00 -3.07 0.00 0.00 36.82 38.39 1vc0 h ILE 94 CO -0.34 0.84 0.16 0.00 -0.69 0.00 0.00 178.15 178.13 1vc0 h ALA 95 N 0.40 0.49 0.00 1.87 0.00 -0.19 -1.02 119.26 120.81 1vc0 h ALA 95 Ca -0.22 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1vc0 h ALA 95 Cb 2.05 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.69 1vc0 h ALA 95 CO 0.20 0.07 0.00 1.63 0.00 0.00 0.00 179.25 181.16 1vc0 n LYS 96 N -4.69 0.00 0.00 0.00 5.02 0.64 -3.90 118.16 115.23 1vc0 n LYS 96 Ca -0.01 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.28 1vc0 n LYS 96 Cb 0.13 -1.41 0.00 0.00 -0.02 0.00 0.00 35.03 33.73 1vc0 n LYS 96 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 1vc0 n MET 97 N -0.83 0.00 0.00 1.97 2.81 -0.71 -5.09 117.12 115.27 1vc0 n MET 97 Ca 0.00 0.00 0.15 0.00 -1.81 0.00 0.00 57.70 56.04 1vc0 n MET 97 Cb 0.00 0.00 0.80 0.00 -0.71 0.00 0.00 33.22 33.31 1vc0 n MET 97 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11