#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vc7 s GLU 5 N 0.00 2.02 -0.03 -0.52 0.41 -1.26 -5.08 118.70 114.24 1vc7 s GLU 5 Ca 0.00 0.32 0.06 0.00 -0.41 0.00 0.00 54.97 54.94 1vc7 s GLU 5 Cb 0.00 -1.94 -0.01 0.00 -1.78 0.00 0.00 34.13 30.40 1vc7 s GLU 5 CO 0.00 -1.60 -0.22 0.99 -0.49 0.00 0.00 175.26 173.94 1vc7 s THR 6 N -3.39 1.76 0.43 3.63 2.01 -1.26 -5.13 115.64 113.69 1vc7 s THR 6 Ca 0.61 -0.94 -0.16 0.00 0.31 0.00 0.00 61.69 61.52 1vc7 s THR 6 Cb -0.12 -1.47 -0.08 0.00 0.01 0.00 0.00 72.50 70.83 1vc7 s THR 6 CO 0.51 0.50 0.88 -0.13 -0.69 0.00 0.00 174.62 175.69 1vc7 s ARG 7 N -0.39 3.99 0.26 4.92 1.81 -1.26 -4.84 118.95 123.42 1vc7 s ARG 7 Ca 0.05 0.83 -0.29 0.00 -1.72 0.00 0.00 55.73 54.61 1vc7 s ARG 7 Cb -0.10 -2.26 -0.15 0.00 -0.45 0.00 0.00 34.95 32.00 1vc7 s ARG 7 CO 0.00 -0.08 0.92 -2.30 -0.68 0.00 0.00 175.30 173.16 1vc7 n PRO 8 N -1.08 1.02 -3.92 3.54 -0.02 -1.26 -4.75 135.00 128.53 1vc7 n PRO 8 Ca 0.05 0.36 -0.09 0.00 -2.02 0.00 0.00 63.50 61.80 1vc7 n PRO 8 Cb 0.54 -1.66 -0.07 0.00 -0.02 0.00 0.00 33.50 32.29 1vc7 n PRO 8 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 1vc7 s ASN 9 N -0.60 0.08 0.53 2.55 3.84 -1.26 -5.00 114.94 115.08 1vc7 s ASN 9 Ca 0.61 -0.79 0.31 0.00 0.21 0.00 0.00 52.86 53.20 1vc7 s ASN 9 Cb -0.77 0.39 1.38 0.00 -0.55 0.00 0.00 41.25 41.70 1vc7 s ASN 9 CO 0.58 -0.82 2.00 0.45 -2.79 0.00 0.00 177.10 176.53 1vc7 h HIS 10 N 2.64 0.00 -3.32 0.43 3.86 -1.91 -3.43 115.15 113.42 1vc7 h HIS 10 Ca -0.33 0.00 -0.65 0.00 -1.16 0.00 0.00 60.37 58.23 1vc7 h HIS 10 Cb 1.22 0.00 -0.26 0.00 1.06 0.00 0.00 27.41 29.43 1vc7 h HIS 10 CO 0.41 0.09 -0.75 0.99 0.86 0.00 0.00 177.93 179.53 1vc7 s THR 11 N -3.83 3.20 -0.04 2.45 2.01 -1.26 -0.02 115.64 118.15 1vc7 s THR 11 Ca -0.01 -0.61 -0.04 0.00 0.31 0.00 0.00 61.69 61.35 1vc7 s THR 11 Cb 0.11 -2.36 -0.04 0.00 0.01 0.00 0.00 72.50 70.22 1vc7 s THR 11 CO 0.56 0.52 0.16 0.27 -0.69 0.00 0.00 174.62 175.44 1vc7 s ILE 12 N 0.38 5.39 -0.20 1.82 -4.36 -0.35 -0.65 121.20 123.23 1vc7 s ILE 12 Ca -0.09 -0.07 -0.04 0.00 -0.26 0.00 0.00 60.65 60.18 1vc7 s ILE 12 Cb -0.16 -3.46 -0.02 0.00 1.25 0.00 0.00 42.46 40.07 1vc7 s ILE 12 CO 0.05 0.42 -0.03 -0.47 0.24 0.00 0.00 174.94 175.15 1vc7 s TYR 13 N -1.22 2.98 -0.07 1.37 6.14 0.30 -1.45 117.35 125.40 1vc7 s TYR 13 Ca 0.23 -0.66 0.02 0.00 0.64 0.00 0.00 57.07 57.31 1vc7 s TYR 13 Cb -0.12 -2.07 -0.02 0.00 0.42 0.00 0.00 41.96 40.17 1vc7 s TYR 13 CO 0.14 -0.35 -0.12 0.42 0.64 0.00 0.00 175.55 176.27 1vc7 s ILE 14 N 1.11 3.20 0.32 3.14 1.01 0.94 -1.04 121.20 129.88 1vc7 s ILE 14 Ca 0.02 -0.65 0.07 0.00 0.00 0.00 0.00 60.65 60.08 1vc7 s ILE 14 Cb -0.15 -2.29 -0.03 0.00 0.01 0.00 0.00 42.46 40.01 1vc7 s ILE 14 CO 0.00 0.57 0.25 -0.46 0.00 0.00 0.00 174.94 175.31 1vc7 n ASN 15 N 2.62 -0.47 -1.39 3.58 6.94 0.05 -0.67 115.26 125.91 1vc7 n ASN 15 Ca -0.18 -3.05 -0.11 0.00 -0.02 0.00 0.00 54.58 51.23 1vc7 n ASN 15 Cb 0.52 1.50 0.01 0.00 -2.36 0.00 0.00 39.78 39.46 1vc7 n ASN 15 CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 177.26 173.03 1vc7 n ASN 16 N -1.75 -3.63 -4.88 0.53 4.05 -0.80 -2.14 115.26 106.65 1vc7 n ASN 16 Ca 0.06 -0.07 -0.30 0.00 0.45 0.00 0.00 54.58 54.72 1vc7 n ASN 16 Cb 0.57 -2.71 -0.03 0.00 1.23 0.00 0.00 39.78 38.84 1vc7 n ASN 16 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 1vc7 s LEU 17 N -3.27 3.86 -0.06 1.20 1.43 -0.46 -4.64 118.68 116.74 1vc7 s LEU 17 Ca 0.07 1.06 -0.30 0.00 -1.03 0.00 0.00 54.13 53.94 1vc7 s LEU 17 Cb -0.03 -3.94 -0.06 0.00 0.03 0.00 0.00 46.19 42.19 1vc7 s LEU 17 CO 0.09 -0.38 1.78 0.21 0.23 0.00 0.00 176.35 178.29 1vc7 s ASN 18 N -3.19 6.48 0.00 2.29 3.84 -1.26 -4.54 114.94 118.56 1vc7 s ASN 18 Ca 0.50 2.27 0.22 0.00 0.21 0.00 0.00 52.86 56.05 1vc7 s ASN 18 Cb -0.10 -2.53 1.07 0.00 -0.55 0.00 0.00 41.25 39.13 1vc7 s ASN 18 CO 0.32 -1.08 1.70 -0.62 -2.79 0.00 0.00 177.10 174.63 1vc7 n GLU 19 N 7.44 0.25 0.02 0.43 1.02 -1.26 -3.06 120.64 125.47 1vc7 n GLU 19 Ca 0.19 0.09 0.13 0.00 -0.02 0.00 0.00 57.16 57.55 1vc7 n GLU 19 Cb 0.43 -1.50 0.35 0.00 -0.02 0.00 0.00 31.44 30.70 1vc7 n GLU 19 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1vc7 n LYS 20 N -1.33 0.06 -2.69 3.49 5.02 -1.26 -4.87 118.16 116.58 1vc7 n LYS 20 Ca 0.09 0.03 -0.42 0.00 -2.02 0.00 0.00 58.31 55.99 1vc7 n LYS 20 Cb 0.19 -1.55 -0.03 0.00 -0.02 0.00 0.00 35.03 33.62 1vc7 n LYS 20 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1vc7 s ILE 21 N -3.03 4.77 0.52 -0.18 -1.09 -1.17 -5.01 121.20 116.01 1vc7 s ILE 21 Ca 0.11 2.01 -0.22 0.00 -2.23 0.00 0.00 60.65 60.32 1vc7 s ILE 21 Cb 0.17 -4.29 -0.06 0.00 -1.58 0.00 0.00 42.46 36.71 1vc7 s ILE 21 CO 0.65 0.17 1.28 -0.54 -1.23 0.00 0.00 174.94 175.26 1vc7 s LYS 22 N 0.94 3.33 0.21 2.79 1.02 -1.26 -4.76 119.74 122.00 1vc7 s LYS 22 Ca 0.52 2.04 -0.19 0.00 0.02 0.00 0.00 55.97 58.36 1vc7 s LYS 22 Cb -0.22 -2.27 0.18 0.00 -0.52 0.00 0.00 37.83 35.00 1vc7 s LYS 22 CO 0.28 -0.98 1.58 -0.22 -0.92 0.00 0.00 175.35 175.09 1vc7 h LYS 23 N 1.59 -0.09 -0.21 1.68 3.64 -1.96 -0.99 116.57 120.23 1vc7 h LYS 23 Ca -0.50 0.01 0.03 0.00 -1.27 0.00 0.00 60.65 58.91 1vc7 h LYS 23 Cb 1.28 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 33.10 1vc7 h LYS 23 CO 0.58 -0.06 0.05 0.22 -2.27 0.00 0.00 179.45 177.97 1vc7 h ASP 24 N -0.09 0.03 -0.30 4.20 3.58 -1.99 -2.17 116.42 119.68 1vc7 h ASP 24 Ca 0.29 0.03 -0.02 0.00 0.42 0.00 0.00 57.03 57.74 1vc7 h ASP 24 Cb 0.57 0.03 -0.01 0.00 1.72 0.00 0.00 39.33 41.64 1vc7 h ASP 24 CO -0.80 0.05 0.11 -0.08 -2.88 0.00 0.00 179.24 175.63 1vc7 h GLU 25 N 0.14 0.46 -0.24 0.28 4.81 -1.73 -2.25 114.58 116.05 1vc7 h GLU 25 Ca 0.09 -0.09 0.05 0.00 -0.13 0.00 0.00 59.36 59.28 1vc7 h GLU 25 Cb 0.08 -0.07 -0.05 0.00 0.63 0.00 0.00 28.75 29.34 1vc7 h GLU 25 CO -0.12 0.49 -0.09 1.25 -0.73 0.00 0.00 179.01 179.81 1vc7 h LEU 26 N 0.33 -0.32 -0.26 1.64 5.85 -1.10 0.21 115.31 121.67 1vc7 h LEU 26 Ca 0.10 0.08 0.04 0.00 0.84 0.00 0.00 57.88 58.94 1vc7 h LEU 26 Cb 0.21 0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.40 1vc7 h LEU 26 CO -0.01 -0.12 0.04 0.11 -0.34 0.00 0.00 178.44 178.13 1vc7 h LYS 27 N -0.05 0.14 0.50 1.25 1.57 -1.32 0.11 116.57 118.76 1vc7 h LYS 27 Ca 0.12 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.88 1vc7 h LYS 27 Cb 0.24 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.50 1vc7 h LYS 27 CO -0.28 0.09 -0.43 0.87 -0.57 0.00 0.00 179.45 179.13 1vc7 h LYS 28 N 0.14 -0.89 -0.52 3.15 1.79 -0.78 -0.82 116.57 118.64 1vc7 h LYS 28 Ca 0.12 0.06 0.07 0.00 -2.18 0.00 0.00 60.65 58.72 1vc7 h LYS 28 Cb 0.13 0.20 -0.06 0.00 -1.58 0.00 0.00 32.23 30.92 1vc7 h LYS 28 CO -0.16 -0.59 0.20 0.77 -1.08 0.00 0.00 179.45 178.58 1vc7 h SER 29 N -0.92 0.22 -0.52 0.86 0.02 -0.40 -0.25 113.55 112.56 1vc7 h SER 29 Ca -0.05 0.06 0.06 0.00 -0.84 0.00 0.00 61.79 61.01 1vc7 h SER 29 Cb 0.80 0.03 -0.05 0.00 0.14 0.00 0.00 62.40 63.32 1vc7 h SER 29 CO -0.03 0.16 0.23 -0.07 -1.14 0.00 0.00 176.83 175.98 1vc7 h LEU 30 N 0.39 0.30 -1.27 5.07 3.38 -0.54 0.16 115.31 122.80 1vc7 h LEU 30 Ca 0.25 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.26 1vc7 h LEU 30 Cb 0.25 -0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.96 1vc7 h LEU 30 CO -0.24 0.21 0.39 -0.74 0.09 0.00 0.00 178.44 178.15 1vc7 h HIS 31 N 0.45 0.86 -0.95 1.13 2.76 -0.29 -0.76 115.15 118.35 1vc7 h HIS 31 Ca 0.24 0.00 0.09 0.00 -2.20 0.00 0.00 60.37 58.50 1vc7 h HIS 31 Cb 0.20 -0.28 -0.07 0.00 1.55 0.00 0.00 27.41 28.81 1vc7 h HIS 31 CO -0.13 0.58 0.61 0.00 -1.30 0.00 0.00 177.93 177.69 1vc7 h ALA 32 N 1.53 1.53 0.00 5.26 0.00 0.11 -1.18 119.26 126.50 1vc7 h ALA 32 Ca 0.24 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1vc7 h ALA 32 Cb -0.03 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.51 1vc7 h ALA 32 CO -0.04 0.30 -1.41 0.44 0.00 0.00 0.00 179.25 178.53 1vc7 n ILE 33 N -4.53 0.07 0.42 0.00 -5.35 -0.87 -4.52 119.36 104.59 1vc7 n ILE 33 Ca 0.16 -0.29 0.10 0.00 -0.27 0.00 0.00 62.75 62.44 1vc7 n ILE 33 Cb 0.26 0.33 -0.14 0.00 -1.74 0.00 0.00 39.64 38.35 1vc7 n ILE 33 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 1vc7 n PHE 34 N -1.98 0.00 0.31 4.28 3.72 -0.34 -4.48 117.46 118.97 1vc7 n PHE 34 Ca 0.00 0.00 0.19 0.00 -0.05 0.00 0.00 57.45 57.59 1vc7 n PHE 34 Cb 0.47 -0.25 1.00 0.00 -0.94 0.00 0.00 39.48 39.76 1vc7 n PHE 34 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1vc7 h SER 35 N 0.00 0.00 0.84 4.37 4.64 -1.45 -2.02 113.55 119.93 1vc7 h SER 35 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1vc7 h SER 35 Cb 0.71 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.80 1vc7 h SER 35 CO 0.00 0.02 0.00 0.08 -0.87 0.00 0.00 176.83 176.06 1vc7 h ARG 36 N 0.00 0.00 -0.00 4.77 0.11 -1.84 -2.89 114.38 114.53 1vc7 h ARG 36 Ca -0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1vc7 h ARG 36 Cb 0.14 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.22 1vc7 h ARG 36 CO 0.00 0.00 -0.19 1.19 0.10 0.00 0.00 179.97 181.08 1vc7 n PHE 37 N -2.70 0.00 0.00 4.08 3.72 -0.76 -5.01 117.46 116.79 1vc7 n PHE 37 Ca 0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.41 1vc7 n PHE 37 Cb 0.26 -0.38 0.00 0.00 -0.94 0.00 0.00 39.48 38.42 1vc7 n PHE 37 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1vc7 n GLY 38 N 1.48 3.45 3.68 1.37 0.00 -1.09 -4.37 105.19 109.70 1vc7 n GLY 38 Ca 0.07 -1.50 -0.44 0.00 0.00 0.00 0.00 46.02 44.16 1vc7 n GLY 38 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1vc7 n GLN 39 N -1.78 2.04 -4.45 1.61 7.27 -1.26 -4.71 117.38 116.10 1vc7 n GLN 39 Ca 0.00 0.72 -0.34 0.00 0.07 0.00 0.00 57.00 57.45 1vc7 n GLN 39 Cb 0.00 -2.34 -0.10 0.00 2.41 0.00 0.00 30.24 30.20 1vc7 n GLN 39 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 1vc7 s ILE 40 N -0.42 4.09 -0.10 1.69 1.01 -1.26 -2.53 121.20 123.68 1vc7 s ILE 40 Ca 0.64 -0.33 0.05 0.00 0.00 0.00 0.00 60.65 61.01 1vc7 s ILE 40 Cb -0.63 -2.71 -0.24 0.00 0.01 0.00 0.00 42.46 38.89 1vc7 s ILE 40 CO 0.54 0.59 0.45 0.18 0.00 0.00 0.00 174.94 176.70 1vc7 n LEU 41 N 2.33 1.57 -3.61 2.97 4.77 0.45 -4.93 117.00 120.55 1vc7 n LEU 41 Ca -0.18 0.27 -0.02 0.00 -0.03 0.00 0.00 56.01 56.06 1vc7 n LEU 41 Cb 0.53 -0.34 -0.01 0.00 -2.33 0.00 0.00 43.42 41.27 1vc7 n LEU 41 CO 0.28 0.60 1.01 -0.62 -1.33 0.00 0.00 177.39 177.34 1vc7 s ASP 42 N -6.41 -0.11 -0.05 -1.43 -1.08 -1.24 -5.04 116.67 101.31 1vc7 s ASP 42 Ca -0.13 -0.08 -0.01 0.00 -0.52 0.00 0.00 52.55 51.81 1vc7 s ASP 42 Cb 0.07 0.17 0.03 0.00 -1.46 0.00 0.00 42.92 41.73 1vc7 s ASP 42 CO 0.79 -0.30 0.01 -0.63 0.52 0.00 0.00 175.17 175.57 1vc7 s ILE 43 N -2.47 0.22 -0.16 4.11 1.01 -1.26 -1.56 121.20 121.09 1vc7 s ILE 43 Ca 0.12 0.17 -0.04 0.00 0.00 0.00 0.00 60.65 60.89 1vc7 s ILE 43 Cb 0.02 -0.38 -0.03 0.00 0.01 0.00 0.00 42.46 42.08 1vc7 s ILE 43 CO -0.04 0.21 -0.03 -0.76 0.00 0.00 0.00 174.94 174.32 1vc7 s LEU 44 N 1.70 3.30 0.00 2.97 1.02 -0.80 -4.98 118.68 121.89 1vc7 s LEU 44 Ca 0.00 -0.11 0.01 0.00 0.02 0.00 0.00 54.13 54.05 1vc7 s LEU 44 Cb -0.13 -1.80 -0.00 0.00 0.02 0.00 0.00 46.19 44.28 1vc7 s LEU 44 CO -0.03 0.17 -0.02 -0.69 0.02 0.00 0.00 176.35 175.80 1vc7 s VAL 45 N 0.35 0.16 -0.01 -1.59 1.01 -1.26 -2.12 120.40 116.93 1vc7 s VAL 45 Ca -0.04 -0.20 0.00 0.00 0.00 0.00 0.00 61.98 61.75 1vc7 s VAL 45 Cb -0.14 -0.16 0.02 0.00 0.00 0.00 0.00 36.38 36.10 1vc7 s VAL 45 CO 0.03 -0.03 0.01 -0.55 0.00 0.00 0.00 175.10 174.56 1vc7 s SER 46 N -0.24 0.08 0.00 3.32 0.15 -1.26 -5.03 113.70 110.72 1vc7 s SER 46 Ca -0.01 0.02 0.16 0.00 0.70 0.00 0.00 55.95 56.82 1vc7 s SER 46 Cb -0.02 -0.05 0.46 0.00 -1.71 0.00 0.00 66.02 64.70 1vc7 s SER 46 CO -0.00 -0.07 1.38 0.54 1.20 0.00 0.00 173.24 176.29 1vc7 n ARG 47 N 3.70 2.16 -1.33 5.44 5.12 -1.26 -2.75 116.66 127.74 1vc7 n ARG 47 Ca -0.21 -1.80 -0.32 0.00 -1.93 0.00 0.00 57.85 53.58 1vc7 n ARG 47 Cb 0.54 -1.40 0.09 0.00 -1.16 0.00 0.00 32.46 30.54 1vc7 n ARG 47 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 1vc7 s SER 48 N -1.05 4.29 0.34 0.55 1.04 -1.26 -4.50 113.70 113.11 1vc7 s SER 48 Ca 0.34 2.08 0.14 0.00 0.48 0.00 0.00 55.95 58.99 1vc7 s SER 48 Cb 0.18 -2.56 1.12 0.00 0.10 0.00 0.00 66.02 64.86 1vc7 s SER 48 CO 0.24 -2.18 1.62 0.25 0.98 0.00 0.00 173.24 174.14 1vc7 h LEU 49 N -0.74 0.26 0.14 2.42 5.85 -1.97 0.80 115.31 122.07 1vc7 h LEU 49 Ca -0.45 0.23 -0.32 0.00 0.84 0.00 0.00 57.88 58.17 1vc7 h LEU 49 Cb 1.26 0.25 -0.00 0.00 0.37 0.00 0.00 40.66 42.53 1vc7 h LEU 49 CO 0.50 -0.29 -1.63 0.50 -0.34 0.00 0.00 178.44 177.17 1vc7 h LYS 50 N 0.14 0.30 -0.02 1.25 3.64 -1.96 -3.39 116.57 116.53 1vc7 h LYS 50 Ca 0.75 -0.51 0.00 0.00 -1.27 0.00 0.00 60.65 59.62 1vc7 h LYS 50 Cb 1.80 0.19 0.00 0.00 -0.41 0.00 0.00 32.23 33.81 1vc7 h LYS 50 CO -0.72 1.18 -0.27 -1.33 -2.27 0.00 0.00 179.45 176.04 1vc7 n MET 51 N -3.49 1.52 -1.71 1.90 2.81 -0.55 -4.98 117.12 112.60 1vc7 n MET 51 Ca -0.20 -1.19 -0.35 0.00 -1.81 0.00 0.00 57.70 54.15 1vc7 n MET 51 Cb 1.06 -1.48 0.06 0.00 -0.71 0.00 0.00 33.22 32.16 1vc7 n MET 51 CO 0.00 0.00 0.00 -0.98 1.51 0.00 0.00 175.97 176.50 1vc7 s ARG 52 N -2.30 2.55 0.00 0.03 1.70 0.17 -2.91 118.95 118.19 1vc7 s ARG 52 Ca 0.24 1.78 0.00 0.00 -0.47 0.00 0.00 55.73 57.28 1vc7 s ARG 52 Cb 0.19 -1.88 0.00 0.00 -0.57 0.00 0.00 34.95 32.69 1vc7 s ARG 52 CO 0.47 -1.52 0.00 0.41 -1.08 0.00 0.00 175.30 173.57 1vc7 n GLY 53 N 0.39 0.57 3.44 3.88 0.00 -1.26 -4.96 105.19 107.25 1vc7 n GLY 53 Ca 0.13 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.94 1vc7 n GLY 53 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1vc7 s GLN 54 N -0.23 1.69 -0.22 1.61 -0.21 -1.14 -1.36 119.66 119.80 1vc7 s GLN 54 Ca 0.00 -1.97 -0.28 0.00 0.02 0.00 0.00 55.36 53.13 1vc7 s GLN 54 Cb 0.00 -0.66 0.14 0.00 1.00 0.00 0.00 33.01 33.49 1vc7 s GLN 54 CO 0.00 -0.31 1.10 0.00 -2.12 0.00 0.00 175.29 173.96 1vc7 s ALA 55 N -3.36 -1.99 -0.28 6.09 0.00 0.15 -4.60 121.76 117.77 1vc7 s ALA 55 Ca 0.33 1.71 -0.02 0.00 0.00 0.00 0.00 51.96 53.97 1vc7 s ALA 55 Cb 0.07 -1.09 0.04 0.00 0.00 0.00 0.00 23.12 22.14 1vc7 s ALA 55 CO 0.15 -0.26 -0.02 -0.06 0.00 0.00 0.00 175.76 175.57 1vc7 s PHE 56 N -0.69 3.19 -0.30 0.00 0.40 -0.90 -0.04 117.98 119.63 1vc7 s PHE 56 Ca 0.02 -1.73 -0.13 0.00 -0.60 0.00 0.00 56.93 54.49 1vc7 s PHE 56 Cb -0.02 -2.09 -0.03 0.00 0.51 0.00 0.00 43.02 41.39 1vc7 s PHE 56 CO -0.03 -0.77 0.28 0.08 0.70 0.00 0.00 175.22 175.48 1vc7 s VAL 57 N 1.29 5.24 -0.47 -0.44 1.01 -0.53 -1.91 120.40 124.59 1vc7 s VAL 57 Ca -0.03 0.16 -0.17 0.00 0.00 0.00 0.00 61.98 61.94 1vc7 s VAL 57 Cb -0.19 -3.67 0.06 0.00 0.00 0.00 0.00 36.38 32.58 1vc7 s VAL 57 CO -0.02 0.10 0.45 -0.63 0.00 0.00 0.00 175.10 175.00 1vc7 s ILE 58 N 1.89 5.12 0.33 2.22 1.01 -0.60 -1.21 121.20 129.96 1vc7 s ILE 58 Ca 0.10 -0.79 -0.11 0.00 0.00 0.00 0.00 60.65 59.85 1vc7 s ILE 58 Cb -0.16 -4.15 -0.07 0.00 0.01 0.00 0.00 42.46 38.09 1vc7 s ILE 58 CO 0.11 -0.60 0.68 -0.36 0.00 0.00 0.00 174.94 174.77 1vc7 s PHE 59 N 1.97 3.43 0.13 3.97 0.08 0.97 -0.41 117.98 128.13 1vc7 s PHE 59 Ca 0.08 0.99 -0.06 0.00 0.12 0.00 0.00 56.93 58.06 1vc7 s PHE 59 Cb -0.22 -2.37 -0.07 0.00 -0.57 0.00 0.00 43.02 39.79 1vc7 s PHE 59 CO 0.09 0.07 1.34 -0.22 -0.10 0.00 0.00 175.22 176.40 1vc7 h LYS 60 N 1.86 0.53 -6.08 0.44 3.64 -1.76 -3.43 116.57 111.77 1vc7 h LYS 60 Ca -0.47 -0.48 -0.69 0.00 -1.27 0.00 0.00 60.65 57.73 1vc7 h LYS 60 Cb 1.18 0.12 -0.29 0.00 -0.41 0.00 0.00 32.23 32.83 1vc7 h LYS 60 CO 0.66 1.12 -0.85 -1.21 -2.27 0.00 0.00 179.45 176.89 1vc7 s GLU 61 N -3.51 2.57 0.49 1.90 2.02 -1.26 -5.02 118.70 115.89 1vc7 s GLU 61 Ca -0.07 -0.85 0.18 0.00 0.02 0.00 0.00 54.97 54.25 1vc7 s GLU 61 Cb 0.09 -2.23 1.22 0.00 0.10 0.00 0.00 34.13 33.30 1vc7 s GLU 61 CO 0.87 0.43 2.03 0.28 0.02 0.00 0.00 175.26 178.89 1vc7 h VAL 62 N 4.89 0.87 -0.54 2.63 2.07 -1.86 -0.95 116.25 123.37 1vc7 h VAL 62 Ca -0.35 -0.06 -0.04 0.00 0.82 0.00 0.00 66.70 67.07 1vc7 h VAL 62 Cb 1.17 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 31.60 1vc7 h VAL 62 CO 0.49 0.03 0.18 0.77 0.02 0.00 0.00 177.57 179.05 1vc7 h SER 63 N 0.17 0.73 -0.07 0.57 4.64 -1.95 -1.31 113.55 116.32 1vc7 h SER 63 Ca 0.20 -0.11 -0.00 0.00 -0.47 0.00 0.00 61.79 61.41 1vc7 h SER 63 Cb 0.57 -0.19 -0.00 0.00 -0.31 0.00 0.00 62.40 62.47 1vc7 h SER 63 CO -0.03 0.69 0.04 0.28 -0.87 0.00 0.00 176.83 176.94 1vc7 h SER 64 N 0.78 0.09 -0.17 4.97 0.02 -1.37 0.26 113.55 118.13 1vc7 h SER 64 Ca 0.18 -0.05 0.04 0.00 -0.84 0.00 0.00 61.79 61.12 1vc7 h SER 64 Cb 0.22 -0.02 -0.04 0.00 0.14 0.00 0.00 62.40 62.70 1vc7 h SER 64 CO -0.01 0.11 -0.06 0.00 -1.14 0.00 0.00 176.83 175.72 1vc7 h ALA 65 N 0.98 0.08 -0.48 3.77 0.00 -1.37 -1.43 119.26 120.81 1vc7 h ALA 65 Ca 0.03 0.07 0.05 0.00 0.00 0.00 0.00 54.91 55.05 1vc7 h ALA 65 Cb 0.04 0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 1vc7 h ALA 65 CO -0.00 -0.50 0.23 1.15 0.00 0.00 0.00 179.25 180.12 1vc7 h THR 66 N -0.04 0.94 0.01 0.00 2.02 -1.01 0.17 112.91 115.01 1vc7 h THR 66 Ca 0.09 -0.15 0.00 0.00 0.77 0.00 0.00 66.41 67.11 1vc7 h THR 66 Cb 0.17 0.45 -0.00 0.00 -1.74 0.00 0.00 68.15 67.03 1vc7 h THR 66 CO -0.19 0.08 -0.01 -1.13 0.37 0.00 0.00 175.52 174.64 1vc7 h ASN 67 N 0.45 -0.03 -0.90 4.18 -0.73 -0.60 -1.67 115.58 116.29 1vc7 h ASN 67 Ca 0.21 0.00 0.02 0.00 1.87 0.00 0.00 56.30 58.41 1vc7 h ASN 67 Cb 0.14 0.01 -0.05 0.00 0.27 0.00 0.00 38.32 38.69 1vc7 h ASN 67 CO -0.16 -0.02 0.59 0.00 -0.37 0.00 0.00 177.43 177.47 1vc7 h ALA 68 N 0.96 1.40 -0.30 1.57 0.00 -0.76 0.44 119.26 122.58 1vc7 h ALA 68 Ca 0.00 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 1vc7 h ALA 68 Cb 0.03 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 1vc7 h ALA 68 CO -0.00 0.53 0.04 1.25 0.00 0.00 0.00 179.25 181.07 1vc7 h LEU 69 N 1.16 0.47 -0.12 0.00 5.85 -0.43 -1.33 115.31 120.91 1vc7 h LEU 69 Ca 0.34 -0.26 -0.05 0.00 0.84 0.00 0.00 57.88 58.75 1vc7 h LEU 69 Cb -0.05 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 40.85 1vc7 h LEU 69 CO -0.09 0.62 -0.14 0.03 -0.34 0.00 0.00 178.44 178.52 1vc7 h ARG 70 N 0.31 0.31 -0.08 1.25 3.08 -0.74 -3.06 114.38 115.45 1vc7 h ARG 70 Ca 0.09 -0.17 -0.11 0.00 0.07 0.00 0.00 59.98 59.86 1vc7 h ARG 70 Cb 0.35 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.39 1vc7 h ARG 70 CO 0.01 0.72 -0.46 0.77 -1.07 0.00 0.00 179.97 179.93 1vc7 h SER 71 N -0.09 0.22 -0.32 7.04 0.02 -0.12 -3.31 113.55 116.98 1vc7 h SER 71 Ca 0.02 -0.10 0.00 0.00 -0.84 0.00 0.00 61.79 60.87 1vc7 h SER 71 Cb 0.67 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.15 1vc7 h SER 71 CO 0.03 0.65 0.00 0.23 -1.14 0.00 0.00 176.83 176.60 1vc7 n MET 72 N -3.98 2.29 -1.69 3.45 2.81 -0.51 -4.94 117.12 114.54 1vc7 n MET 72 Ca -0.02 -1.97 -0.44 0.00 -1.81 0.00 0.00 57.70 53.46 1vc7 n MET 72 Cb 0.51 -1.33 -0.04 0.00 -0.71 0.00 0.00 33.22 31.65 1vc7 n MET 72 CO 0.00 0.00 0.00 0.94 1.51 0.00 0.00 175.97 178.42 1vc7 n GLN 73 N 0.83 2.48 -0.98 0.03 -0.06 -1.15 -1.43 117.38 117.10 1vc7 n GLN 73 Ca 0.13 0.90 0.00 0.00 -2.00 0.00 0.00 57.00 56.03 1vc7 n GLN 73 Cb 0.45 -2.72 0.00 0.00 -4.06 0.00 0.00 30.24 23.90 1vc7 n GLN 73 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1vc7 n GLY 74 N 3.84 0.61 3.72 1.69 0.00 0.01 -4.98 105.19 110.08 1vc7 n GLY 74 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 1vc7 n GLY 74 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1vc7 s PHE 75 N -2.55 3.02 -0.19 1.61 5.36 -0.52 -4.27 117.98 120.45 1vc7 s PHE 75 Ca 0.00 0.67 -0.29 0.00 -0.96 0.00 0.00 56.93 56.34 1vc7 s PHE 75 Cb 0.00 -3.94 -0.03 0.00 -0.34 0.00 0.00 43.02 38.71 1vc7 s PHE 75 CO 0.00 -3.41 1.53 -2.14 -1.46 0.00 0.00 175.22 169.74 1vc7 s PRO 76 N 0.84 3.96 -0.07 10.12 0.02 -1.26 -0.80 135.00 147.81 1vc7 s PRO 76 Ca 0.69 1.72 -0.01 0.00 0.02 0.00 0.00 61.00 63.42 1vc7 s PRO 76 Cb -0.44 -3.96 0.03 0.00 0.02 0.00 0.00 34.50 30.14 1vc7 s PRO 76 CO 0.34 -1.09 -0.01 0.12 -0.33 0.00 0.00 177.00 176.03 1vc7 s PHE 77 N 4.59 0.71 -1.48 6.54 5.36 0.49 -4.75 117.98 129.43 1vc7 s PHE 77 Ca 0.67 -0.20 -0.09 0.00 -0.96 0.00 0.00 56.93 56.36 1vc7 s PHE 77 Cb -0.25 -0.78 0.06 0.00 -0.34 0.00 0.00 43.02 41.71 1vc7 s PHE 77 CO 0.26 -0.31 0.77 0.66 -1.46 0.00 0.00 175.22 175.15 1vc7 n TYR 78 N 4.89 -1.99 -1.77 10.12 4.01 -1.26 -1.49 117.16 129.67 1vc7 n TYR 78 Ca -0.11 0.84 -0.16 0.00 -0.16 0.00 0.00 57.90 58.31 1vc7 n TYR 78 Cb 0.50 -3.87 -0.05 0.00 -0.31 0.00 0.00 39.34 35.62 1vc7 n TYR 78 CO 0.00 0.00 0.00 -0.40 -0.46 0.00 0.00 176.86 176.00 1vc7 n ASP 79 N -2.89 -4.84 -3.85 7.72 5.68 -1.26 -4.73 116.55 112.38 1vc7 n ASP 79 Ca -0.11 0.24 -0.12 0.00 -0.50 0.00 0.00 54.79 54.30 1vc7 n ASP 79 Cb 0.59 -3.82 -0.13 0.00 -1.14 0.00 0.00 41.12 36.62 1vc7 n ASP 79 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 1vc7 s LYS 80 N -3.88 0.15 -0.20 0.11 1.02 -0.56 -5.09 119.74 111.29 1vc7 s LYS 80 Ca 0.00 0.05 -0.29 0.00 0.02 0.00 0.00 55.97 55.75 1vc7 s LYS 80 Cb 0.00 0.07 -0.02 0.00 -0.52 0.00 0.00 37.83 37.36 1vc7 s LYS 80 CO 0.00 -0.02 1.39 -2.14 -0.92 0.00 0.00 175.35 173.66 1vc7 s PRO 81 N -0.15 4.05 0.25 -1.68 0.02 -1.26 -0.38 135.00 135.86 1vc7 s PRO 81 Ca -0.02 1.62 -0.30 0.00 0.02 0.00 0.00 61.00 62.32 1vc7 s PRO 81 Cb -0.02 -3.88 -0.10 0.00 0.02 0.00 0.00 34.50 30.52 1vc7 s PRO 81 CO 0.00 -0.95 1.50 1.41 -0.33 0.00 0.00 177.00 178.62 1vc7 s MET 82 N 3.98 4.22 -0.22 5.54 1.75 0.02 -4.86 119.30 129.74 1vc7 s MET 82 Ca 0.61 2.38 -0.01 0.00 -1.25 0.00 0.00 55.69 57.42 1vc7 s MET 82 Cb -0.22 -3.09 0.02 0.00 2.84 0.00 0.00 34.83 34.37 1vc7 s MET 82 CO 0.22 -0.50 -0.09 0.50 -0.65 0.00 0.00 175.02 174.50 1vc7 s ARG 83 N -0.25 2.99 0.01 4.11 3.52 -0.91 -0.81 118.95 127.61 1vc7 s ARG 83 Ca 0.61 -0.86 0.05 0.00 -0.13 0.00 0.00 55.73 55.41 1vc7 s ARG 83 Cb -0.44 -2.88 -0.03 0.00 -1.56 0.00 0.00 34.95 30.04 1vc7 s ARG 83 CO 0.43 -0.31 -0.14 0.42 -0.81 0.00 0.00 175.30 174.89 1vc7 s ILE 84 N 1.35 3.06 0.22 4.11 1.01 -1.26 -0.77 121.20 128.91 1vc7 s ILE 84 Ca 0.03 -0.99 -0.10 0.00 0.00 0.00 0.00 60.65 59.58 1vc7 s ILE 84 Cb -0.15 -2.28 -0.01 0.00 0.01 0.00 0.00 42.46 40.03 1vc7 s ILE 84 CO -0.06 0.40 0.38 -1.10 0.00 0.00 0.00 174.94 174.56 1vc7 s GLN 85 N -1.30 1.39 0.42 2.79 -0.21 -0.21 -4.99 119.66 117.56 1vc7 s GLN 85 Ca 0.15 -1.27 -0.19 0.00 0.02 0.00 0.00 55.36 54.06 1vc7 s GLN 85 Cb -0.11 0.42 -0.10 0.00 1.00 0.00 0.00 33.01 34.22 1vc7 s GLN 85 CO 0.05 -0.55 0.91 0.71 -2.12 0.00 0.00 175.29 174.29 1vc7 s TYR 86 N -4.02 3.35 0.46 0.91 2.02 -1.26 0.11 117.35 118.92 1vc7 s TYR 86 Ca 0.23 1.50 -0.22 0.00 -0.37 0.00 0.00 57.07 58.22 1vc7 s TYR 86 Cb 0.01 -2.77 -0.08 0.00 -0.40 0.00 0.00 41.96 38.72 1vc7 s TYR 86 CO 0.07 -0.11 1.09 0.00 -1.57 0.00 0.00 175.55 175.02 1vc7 s ALA 87 N -2.22 2.93 0.42 3.71 0.00 0.18 -4.49 121.76 122.29 1vc7 s ALA 87 Ca 0.60 0.75 0.09 0.00 0.00 0.00 0.00 51.96 53.40 1vc7 s ALA 87 Cb -0.09 -3.31 0.90 0.00 0.00 0.00 0.00 23.12 20.62 1vc7 s ALA 87 CO 0.17 -0.44 2.04 0.87 0.00 0.00 0.00 175.76 178.40 1vc7 h LYS 88 N 1.91 0.50 -4.05 0.00 1.57 -1.91 -3.45 116.57 111.14 1vc7 h LYS 88 Ca -0.49 -0.03 -0.11 0.00 -1.87 0.00 0.00 60.65 58.15 1vc7 h LYS 88 Cb 1.23 -0.11 -0.14 0.00 0.08 0.00 0.00 32.23 33.28 1vc7 h LYS 88 CO 0.60 0.33 -0.53 0.95 -0.57 0.00 0.00 179.45 180.23 1vc7 s THR 89 N -5.47 0.17 0.37 -0.16 -4.23 -1.26 -4.98 115.64 100.08 1vc7 s THR 89 Ca -0.08 -1.53 -0.28 0.00 -1.18 0.00 0.00 61.69 58.63 1vc7 s THR 89 Cb 0.18 -1.49 -0.10 0.00 1.34 0.00 0.00 72.50 72.43 1vc7 s THR 89 CO 0.73 -0.78 1.40 -1.81 -0.54 0.00 0.00 174.62 173.62 1vc7 s ASP 90 N -2.90 6.43 0.61 3.99 1.11 -1.26 -4.95 116.67 119.69 1vc7 s ASP 90 Ca 0.08 2.87 -0.14 0.00 0.18 0.00 0.00 52.55 55.53 1vc7 s ASP 90 Cb 0.06 -2.66 -0.03 0.00 1.07 0.00 0.00 42.92 41.37 1vc7 s ASP 90 CO -0.09 -0.79 1.05 -0.44 1.18 0.00 0.00 175.17 176.07 1vc7 s SER 91 N -0.38 5.82 0.25 0.27 0.01 -1.26 -4.88 113.70 113.54 1vc7 s SER 91 Ca 0.53 1.71 -0.04 0.00 1.31 0.00 0.00 55.95 59.46 1vc7 s SER 91 Cb -0.43 -2.52 0.41 0.00 0.21 0.00 0.00 66.02 63.70 1vc7 s SER 91 CO 0.57 -1.14 1.81 0.44 0.41 0.00 0.00 173.24 175.33 1vc7 h ASP 92 N 0.16 0.68 -0.95 2.44 3.32 -2.00 -1.93 116.42 118.13 1vc7 h ASP 92 Ca -0.46 0.05 0.16 0.00 0.02 0.00 0.00 57.03 56.80 1vc7 h ASP 92 Cb 1.21 -0.08 -0.08 0.00 0.22 0.00 0.00 39.33 40.60 1vc7 h ASP 92 CO 0.58 0.38 0.60 0.40 -1.72 0.00 0.00 179.24 179.48 1vc7 h ILE 93 N 0.79 0.79 -0.01 0.35 1.08 -1.99 -0.34 117.51 118.19 1vc7 h ILE 93 Ca 0.41 -0.25 -0.23 0.00 -0.39 0.00 0.00 64.86 64.40 1vc7 h ILE 93 Cb 0.39 -0.01 0.02 0.00 -3.07 0.00 0.00 36.82 34.15 1vc7 h ILE 93 CO -0.26 0.13 -0.89 0.40 -0.69 0.00 0.00 178.15 176.85 1vc7 h ILE 94 N 0.73 1.33 -0.43 -0.67 1.08 -1.74 -3.29 117.51 114.52 1vc7 h ILE 94 Ca 0.50 -2.18 -0.01 0.00 -0.39 0.00 0.00 64.86 62.79 1vc7 h ILE 94 Cb 0.80 2.43 -0.02 0.00 -3.07 0.00 0.00 36.82 36.96 1vc7 h ILE 94 CO -0.27 0.66 0.24 0.00 -0.69 0.00 0.00 178.15 178.10 1vc7 h ALA 95 N 0.38 0.55 0.00 1.87 0.00 -0.94 0.14 119.26 121.26 1vc7 h ALA 95 Ca -0.11 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1vc7 h ALA 95 Cb 1.56 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.18 1vc7 h ALA 95 CO 0.18 0.06 0.00 1.63 0.00 0.00 0.00 179.25 181.12 1vc7 n LYS 96 N -4.72 0.00 0.00 0.00 5.02 -0.20 -3.46 118.16 114.80 1vc7 n LYS 96 Ca 0.01 0.02 0.00 0.00 -2.02 0.00 0.00 58.31 56.32 1vc7 n LYS 96 Cb 0.07 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.58 1vc7 n LYS 96 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 1vc7 n MET 97 N -1.00 0.00 0.00 1.97 2.81 -0.48 -5.09 117.12 115.32 1vc7 n MET 97 Ca 0.00 0.00 0.16 0.00 -1.81 0.00 0.00 57.70 56.05 1vc7 n MET 97 Cb 0.00 0.00 0.92 0.00 -0.71 0.00 0.00 33.22 33.43 1vc7 n MET 97 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11