#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vgx s SER 9 N 0.00 -0.41 0.32 1.62 0.15 -1.26 -4.21 113.70 109.92 1vgx s SER 9 Ca 0.00 -1.41 -0.28 0.00 0.70 0.00 0.00 55.95 54.97 1vgx s SER 9 Cb 0.00 1.31 -0.13 0.00 -1.71 0.00 0.00 66.02 65.49 1vgx s SER 9 CO 0.00 -0.18 1.17 0.49 1.20 0.00 0.00 173.24 175.92 1vgx n PHE 10 N 3.95 1.85 -2.76 3.44 0.99 -0.35 -4.89 117.46 119.69 1vgx n PHE 10 Ca 0.14 0.61 -0.43 0.00 -0.00 0.00 0.00 57.45 57.78 1vgx n PHE 10 Cb 0.52 -2.34 -0.03 0.00 -1.00 0.00 0.00 39.48 36.63 1vgx n PHE 10 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.76 177.10 1vgx s ASP 11 N -0.42 6.48 0.16 4.37 2.15 -1.26 -5.00 116.67 123.14 1vgx s ASP 11 Ca 0.57 -1.55 -0.25 0.00 0.43 0.00 0.00 52.55 51.75 1vgx s ASP 11 Cb -0.62 -2.47 -0.08 0.00 -0.30 0.00 0.00 42.92 39.45 1vgx s ASP 11 CO 0.61 -1.34 0.75 -0.22 -0.17 0.00 0.00 175.17 174.81 1vgx s LEU 12 N 3.93 4.58 -0.55 -1.34 2.96 -1.26 -1.50 118.68 125.50 1vgx s LEU 12 Ca 0.36 1.60 -0.22 0.00 -0.22 0.00 0.00 54.13 55.65 1vgx s LEU 12 Cb -0.05 -3.27 0.06 0.00 0.50 0.00 0.00 46.19 43.43 1vgx s LEU 12 CO -0.05 0.21 0.80 -0.62 -1.32 0.00 0.00 176.35 175.37 1vgx s ASP 13 N -1.16 6.26 0.10 3.68 -1.08 0.52 -4.70 116.67 120.30 1vgx s ASP 13 Ca 0.35 -0.72 0.17 0.00 -0.52 0.00 0.00 52.55 51.83 1vgx s ASP 13 Cb -0.23 -2.37 0.72 0.00 -1.46 0.00 0.00 42.92 39.59 1vgx s ASP 13 CO 0.25 -1.11 1.52 1.41 0.52 0.00 0.00 175.17 177.77 1vgx n HIS 14 N 6.89 0.31 1.11 -5.34 8.25 -1.26 -2.24 115.22 122.94 1vgx n HIS 14 Ca -0.03 0.13 0.13 0.00 -0.26 0.00 0.00 57.72 57.69 1vgx n HIS 14 Cb 0.46 -0.71 0.46 0.00 1.12 0.00 0.00 29.99 31.33 1vgx n HIS 14 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1vgx n THR 15 N -1.79 0.00 0.55 1.59 -2.24 -1.26 -4.11 114.28 107.02 1vgx n THR 15 Ca 0.02 -0.02 0.06 0.00 -2.27 0.00 0.00 64.05 61.85 1vgx n THR 15 Cb 0.17 -0.07 0.00 0.00 -2.10 0.00 0.00 70.33 68.33 1vgx n THR 15 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1vgx n LYS 16 N -1.33 1.86 -2.36 -0.78 5.02 -0.95 -5.00 118.16 114.62 1vgx n LYS 16 Ca 0.08 -0.72 -0.27 0.00 -2.02 0.00 0.00 58.31 55.38 1vgx n LYS 16 Cb 0.32 -1.16 0.02 0.00 -0.02 0.00 0.00 35.03 34.20 1vgx n LYS 16 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1vgx s VAL 17 N -1.53 3.97 -0.35 -0.18 -7.23 -1.25 -5.02 120.40 108.81 1vgx s VAL 17 Ca 0.10 0.15 0.01 0.00 -1.81 0.00 0.00 61.98 60.43 1vgx s VAL 17 Cb 0.10 -3.57 0.11 0.00 0.56 0.00 0.00 36.38 33.58 1vgx s VAL 17 CO 0.30 -0.61 0.14 -0.54 -0.31 0.00 0.00 175.10 174.08 1vgx s LYS 18 N -4.99 0.96 0.57 4.82 -0.14 -1.26 -4.95 119.74 114.75 1vgx s LYS 18 Ca 0.53 -1.44 -0.16 0.00 -1.36 0.00 0.00 55.97 53.54 1vgx s LYS 18 Cb -0.11 -2.21 -0.05 0.00 -1.68 0.00 0.00 37.83 33.79 1vgx s LYS 18 CO 0.46 -1.04 1.05 0.00 -0.76 0.00 0.00 175.35 175.06 1vgx s ALA 19 N 1.16 2.79 0.46 5.17 0.00 -1.26 -4.42 121.76 125.67 1vgx s ALA 19 Ca 0.12 0.39 -0.06 0.00 0.00 0.00 0.00 51.96 52.41 1vgx s ALA 19 Cb -0.20 -3.22 -0.04 0.00 0.00 0.00 0.00 23.12 19.66 1vgx s ALA 19 CO -0.15 -0.68 0.78 -1.25 0.00 0.00 0.00 175.76 174.45 1vgx s PRO 20 N -3.97 3.60 0.27 0.00 0.04 -1.26 -4.83 135.00 128.84 1vgx s PRO 20 Ca 0.63 0.26 -0.20 0.00 0.04 0.00 0.00 61.00 61.73 1vgx s PRO 20 Cb -0.15 -2.38 0.05 0.00 0.04 0.00 0.00 34.50 32.06 1vgx s PRO 20 CO 0.34 -0.16 0.86 1.52 0.04 0.00 0.00 177.00 179.61 1vgx s TYR 21 N -2.64 -0.02 -0.07 0.56 -0.85 -0.55 -3.83 117.35 109.95 1vgx s TYR 21 Ca 0.48 -0.46 0.05 0.00 -0.52 0.00 0.00 57.07 56.62 1vgx s TYR 21 Cb -0.10 0.74 -0.01 0.00 0.38 0.00 0.00 41.96 42.96 1vgx s TYR 21 CO 0.41 -1.19 -0.24 0.08 -1.52 0.00 0.00 175.55 173.09 1vgx s VAL 22 N -2.88 2.10 -0.04 -3.49 1.01 -0.60 -1.30 120.40 115.19 1vgx s VAL 22 Ca 0.15 -1.04 -0.02 0.00 0.00 0.00 0.00 61.98 61.07 1vgx s VAL 22 Cb -0.04 -1.77 0.03 0.00 0.00 0.00 0.00 36.38 34.60 1vgx s VAL 22 CO 0.07 0.57 0.09 -0.60 0.00 0.00 0.00 175.10 175.23 1vgx s ARG 23 N -0.03 0.04 -0.09 2.72 3.52 -0.59 -1.26 118.95 123.26 1vgx s ARG 23 Ca -0.08 0.27 -0.30 0.00 -0.13 0.00 0.00 55.73 55.50 1vgx s ARG 23 Cb -0.15 -0.18 -0.04 0.00 -1.56 0.00 0.00 34.95 33.02 1vgx s ARG 23 CO 0.05 -0.15 1.42 -1.17 -0.81 0.00 0.00 175.30 174.64 1vgx s LEU 24 N 1.01 4.26 0.02 -0.88 2.96 -1.26 -0.80 118.68 123.98 1vgx s LEU 24 Ca -0.08 1.96 0.23 0.00 -0.22 0.00 0.00 54.13 56.02 1vgx s LEU 24 Cb -0.11 -3.54 0.01 0.00 0.50 0.00 0.00 46.19 43.05 1vgx s LEU 24 CO -0.04 -0.80 1.01 0.00 -1.32 0.00 0.00 176.35 175.19 1vgx n ALA 25 N 6.51 3.82 0.00 5.97 0.00 0.93 -4.84 120.51 132.89 1vgx n ALA 25 Ca 0.15 -0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.12 1vgx n ALA 25 Cb 0.44 -0.91 0.00 0.00 0.00 0.00 0.00 19.45 18.97 1vgx n ALA 25 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1vgx n GLY 26 N 1.42 1.58 2.83 0.00 0.00 -1.21 -1.21 105.19 108.60 1vgx n GLY 26 Ca 0.03 -0.90 -0.15 0.00 0.00 0.00 0.00 46.02 45.00 1vgx n GLY 26 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1vgx s VAL 27 N -2.00 -0.07 -0.15 1.61 0.11 -1.26 -1.09 120.40 117.55 1vgx s VAL 27 Ca 0.00 0.22 -0.01 0.00 -2.93 0.00 0.00 61.98 59.27 1vgx s VAL 27 Cb 0.00 -0.16 -0.01 0.00 -1.53 0.00 0.00 36.38 34.67 1vgx s VAL 27 CO 0.00 0.09 -0.12 -0.75 -3.33 0.00 0.00 175.10 170.99 1vgx s LYS 28 N 1.25 3.35 0.05 1.54 2.20 0.36 -3.97 119.74 124.51 1vgx s LYS 28 Ca -0.08 -0.69 -0.21 0.00 -0.36 0.00 0.00 55.97 54.63 1vgx s LYS 28 Cb -0.12 -2.69 -0.06 0.00 -1.51 0.00 0.00 37.83 33.45 1vgx s LYS 28 CO -0.04 0.11 0.62 0.99 -0.36 0.00 0.00 175.35 176.66 1vgx s THR 29 N 0.63 4.76 0.56 3.43 2.01 -1.26 -0.61 115.64 125.16 1vgx s THR 29 Ca -0.07 1.33 -0.05 0.00 0.31 0.00 0.00 61.69 63.21 1vgx s THR 29 Cb -0.15 -3.96 0.00 0.00 0.01 0.00 0.00 72.50 68.39 1vgx s THR 29 CO 0.03 0.48 0.86 0.42 -0.69 0.00 0.00 174.62 175.72 1vgx s THR 30 N -0.64 3.88 0.42 -0.82 -4.23 0.75 -4.96 115.64 110.05 1vgx s THR 30 Ca 0.32 -0.00 0.09 0.00 -1.18 0.00 0.00 61.69 60.91 1vgx s THR 30 Cb -0.19 -3.52 0.24 0.00 1.34 0.00 0.00 72.50 70.37 1vgx s THR 30 CO 0.20 -0.52 2.04 -0.65 -0.54 0.00 0.00 174.62 175.15 1vgx h PRO 31 N -0.07 0.41 -0.00 3.99 0.11 -1.97 0.77 132.00 135.24 1vgx h PRO 31 Ca -0.46 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1vgx h PRO 31 Cb 1.25 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1vgx h PRO 31 CO 0.60 0.32 -0.07 1.63 -0.21 0.00 0.00 178.00 180.27 1vgx n LYS 32 N -4.44 0.45 0.00 1.05 4.01 -1.26 -4.91 118.16 113.06 1vgx n LYS 32 Ca 0.01 -0.09 0.00 0.00 -0.51 0.00 0.00 58.31 57.72 1vgx n LYS 32 Cb 0.11 -1.50 0.00 0.00 -0.51 0.00 0.00 35.03 33.13 1vgx n LYS 32 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1vgx n GLY 33 N 1.32 0.81 3.95 0.72 0.00 0.26 -5.10 105.19 107.15 1vgx n GLY 33 Ca 0.13 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.88 1vgx n GLY 33 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1vgx s ASP 34 N -1.38 3.89 0.02 1.61 1.01 -1.25 -4.80 116.67 115.77 1vgx s ASP 34 Ca 0.00 0.09 0.06 0.00 0.71 0.00 0.00 52.55 53.41 1vgx s ASP 34 Cb 0.00 -0.37 -0.02 0.00 1.01 0.00 0.00 42.92 43.54 1vgx s ASP 34 CO 0.00 -2.20 -0.18 -1.10 0.21 0.00 0.00 175.17 171.90 1vgx s GLN 35 N -5.50 1.28 -0.25 8.23 -0.21 -1.26 -0.18 119.66 121.77 1vgx s GLN 35 Ca 0.68 -0.79 -0.02 0.00 0.02 0.00 0.00 55.36 55.25 1vgx s GLN 35 Cb -0.06 -1.32 0.02 0.00 1.00 0.00 0.00 33.01 32.66 1vgx s GLN 35 CO 0.48 0.34 -0.05 0.42 -2.12 0.00 0.00 175.29 174.36 1vgx s ILE 36 N -0.68 2.96 -0.16 1.08 1.01 0.22 -0.64 121.20 124.97 1vgx s ILE 36 Ca 0.06 -0.97 -0.13 0.00 0.00 0.00 0.00 60.65 59.61 1vgx s ILE 36 Cb -0.08 -2.49 -0.05 0.00 0.01 0.00 0.00 42.46 39.86 1vgx s ILE 36 CO 0.01 0.21 0.26 -0.44 0.00 0.00 0.00 174.94 174.98 1vgx s SER 37 N 1.34 6.40 -0.13 3.58 0.01 0.12 -0.49 113.70 124.54 1vgx s SER 37 Ca 0.01 0.46 -0.04 0.00 1.31 0.00 0.00 55.95 57.70 1vgx s SER 37 Cb -0.16 -2.16 -0.03 0.00 0.21 0.00 0.00 66.02 63.87 1vgx s SER 37 CO -0.04 0.12 -0.00 -0.54 0.41 0.00 0.00 173.24 173.19 1vgx s LYS 38 N 0.39 3.46 -0.02 12.44 1.02 -0.25 -0.60 119.74 136.17 1vgx s LYS 38 Ca 0.15 -0.44 0.06 0.00 0.02 0.00 0.00 55.97 55.76 1vgx s LYS 38 Cb -0.13 -2.92 -0.01 0.00 -0.52 0.00 0.00 37.83 34.25 1vgx s LYS 38 CO 0.03 0.43 -0.21 0.71 -0.92 0.00 0.00 175.35 175.39 1vgx s TYR 39 N -0.13 1.94 -0.46 3.18 2.02 0.37 -0.05 117.35 124.21 1vgx s TYR 39 Ca 0.04 -0.40 -0.18 0.00 -0.37 0.00 0.00 57.07 56.16 1vgx s TYR 39 Cb -0.13 -1.25 0.04 0.00 -0.40 0.00 0.00 41.96 40.22 1vgx s TYR 39 CO 0.02 -0.06 0.54 0.34 -1.57 0.00 0.00 175.55 174.82 1vgx s ASP 40 N -0.43 6.22 -0.80 2.29 2.15 0.02 -1.70 116.67 124.41 1vgx s ASP 40 Ca 0.06 -0.80 -0.13 0.00 0.43 0.00 0.00 52.55 52.11 1vgx s ASP 40 Cb -0.09 -2.26 0.21 0.00 -0.30 0.00 0.00 42.92 40.48 1vgx s ASP 40 CO -0.00 -0.75 0.74 -0.76 -0.17 0.00 0.00 175.17 174.23 1vgx s LEU 41 N 2.39 6.65 -0.34 -1.34 1.43 0.09 -1.54 118.68 126.02 1vgx s LEU 41 Ca 0.14 -2.66 -0.19 0.00 -1.03 0.00 0.00 54.13 50.38 1vgx s LEU 41 Cb -0.18 -2.19 -0.00 0.00 0.03 0.00 0.00 46.19 43.84 1vgx s LEU 41 CO 0.13 -0.57 0.58 -0.60 0.23 0.00 0.00 176.35 176.12 1vgx s ARG 42 N 0.21 3.73 -0.17 1.70 6.06 -0.42 -0.65 118.95 129.41 1vgx s ARG 42 Ca 0.17 0.04 -0.20 0.00 -2.50 0.00 0.00 55.73 53.24 1vgx s ARG 42 Cb -0.12 -3.78 -0.22 0.00 0.06 0.00 0.00 34.95 30.89 1vgx s ARG 42 CO -0.08 -0.64 0.38 0.74 -2.50 0.00 0.00 175.30 173.19 1vgx h PHE 43 N 8.38 0.14 -3.63 5.12 0.05 -1.29 -1.45 116.94 124.26 1vgx h PHE 43 Ca -0.27 -0.10 -0.67 0.00 3.82 0.00 0.00 57.97 60.75 1vgx h PHE 43 Cb 1.12 -0.01 -0.17 0.00 2.00 0.00 0.00 35.95 38.89 1vgx h PHE 43 CO 0.74 1.46 -0.76 -0.51 -0.18 0.00 0.00 178.31 179.06 1vgx s LEU 44 N -7.78 2.90 0.13 1.54 1.43 0.19 -4.23 118.68 112.87 1vgx s LEU 44 Ca -0.25 -0.46 -0.31 0.00 -1.03 0.00 0.00 54.13 52.08 1vgx s LEU 44 Cb 0.04 -1.71 -0.10 0.00 0.03 0.00 0.00 46.19 44.45 1vgx s LEU 44 CO 0.66 0.18 1.64 -1.58 0.23 0.00 0.00 176.35 177.48 1vgx s GLN 45 N -2.18 4.19 0.13 1.70 2.00 -1.26 -4.81 119.66 119.43 1vgx s GLN 45 Ca 0.20 2.40 -0.35 0.00 -2.00 0.00 0.00 55.36 55.61 1vgx s GLN 45 Cb -0.11 -3.34 -0.16 0.00 0.80 0.00 0.00 33.01 30.20 1vgx s GLN 45 CO 0.12 -0.69 1.37 -2.30 -0.50 0.00 0.00 175.29 173.30 1vgx n PRO 46 N 4.70 1.47 -1.22 1.67 -0.02 -1.26 -1.89 135.00 138.45 1vgx n PRO 46 Ca 0.15 0.53 -0.08 0.00 -2.02 0.00 0.00 63.50 62.09 1vgx n PRO 46 Cb 0.39 -2.18 -0.03 0.00 -0.02 0.00 0.00 33.50 31.65 1vgx n PRO 46 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1vgx n ASN 47 N 2.63 -4.73 -0.49 2.55 3.02 -1.26 -4.87 115.26 112.11 1vgx n ASN 47 Ca 0.17 0.19 0.06 0.00 -0.03 0.00 0.00 54.58 54.96 1vgx n ASN 47 Cb 0.23 -2.90 0.14 0.00 -0.61 0.00 0.00 39.78 36.65 1vgx n ASN 47 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1vgx n GLN 48 N -1.70 2.71 0.00 3.52 1.13 -0.79 -5.07 117.38 117.18 1vgx n GLN 48 Ca -0.08 -2.20 0.00 0.00 -1.94 0.00 0.00 57.00 52.79 1vgx n GLN 48 Cb 0.38 -1.39 0.00 0.00 0.11 0.00 0.00 30.24 29.35 1vgx n GLN 48 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1vgx n GLY 49 N -0.22 3.83 3.05 1.08 0.00 -1.26 -4.98 105.19 106.69 1vgx n GLY 49 Ca 0.12 -1.51 -0.08 0.00 0.00 0.00 0.00 46.02 44.55 1vgx n GLY 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vgx s ALA 50 N -2.00 0.38 0.29 4.61 0.00 -1.26 -4.82 121.76 118.96 1vgx s ALA 50 Ca 0.00 -0.96 -0.29 0.00 0.00 0.00 0.00 51.96 50.71 1vgx s ALA 50 Cb 0.00 0.21 -0.09 0.00 0.00 0.00 0.00 23.12 23.24 1vgx s ALA 50 CO 0.00 -0.28 1.06 0.42 0.00 0.00 0.00 175.76 176.96 1vgx s ILE 51 N -2.90 3.65 0.70 0.00 1.01 0.16 -5.00 121.20 118.82 1vgx s ILE 51 Ca -0.02 1.60 -0.16 0.00 0.00 0.00 0.00 60.65 62.07 1vgx s ILE 51 Cb 0.00 -3.99 0.02 0.00 0.01 0.00 0.00 42.46 38.51 1vgx s ILE 51 CO -0.06 0.33 1.23 -0.62 0.00 0.00 0.00 174.94 175.82 1vgx s ASP 52 N -1.05 4.33 0.25 3.58 2.15 -1.26 -4.73 116.67 119.94 1vgx s ASP 52 Ca 0.46 2.43 -0.05 0.00 0.43 0.00 0.00 52.55 55.82 1vgx s ASP 52 Cb -0.29 -2.60 0.30 0.00 -0.30 0.00 0.00 42.92 40.03 1vgx s ASP 52 CO 0.37 -2.18 1.87 -0.65 -0.17 0.00 0.00 175.17 174.41 1vgx h PRO 53 N -0.03 1.13 -0.51 4.34 0.11 -1.98 -1.06 132.00 134.01 1vgx h PRO 53 Ca -0.49 -0.14 -0.04 0.00 0.11 0.00 0.00 66.00 65.44 1vgx h PRO 53 Cb 1.31 -0.22 -0.02 0.00 0.11 0.00 0.00 31.00 32.18 1vgx h PRO 53 CO 0.51 0.85 0.16 0.00 -0.21 0.00 0.00 178.00 179.31 1vgx h ALA 54 N 1.32 0.67 -0.56 -0.75 0.00 -1.91 -0.93 119.26 117.11 1vgx h ALA 54 Ca 0.28 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 1vgx h ALA 54 Cb 0.06 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1vgx h ALA 54 CO -0.04 0.32 0.06 0.00 0.00 0.00 0.00 179.25 179.59 1vgx h ALA 55 N 1.02 0.74 -0.06 0.00 0.00 -1.61 -1.06 119.26 118.31 1vgx h ALA 55 Ca 0.17 -0.27 -0.12 0.00 0.00 0.00 0.00 54.91 54.69 1vgx h ALA 55 Cb 0.27 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1vgx h ALA 55 CO -0.01 0.52 -0.49 0.97 0.00 0.00 0.00 179.25 180.24 1vgx h ILE 56 N 0.83 1.35 -0.35 0.00 2.10 -1.10 0.35 117.51 120.69 1vgx h ILE 56 Ca 0.16 -1.71 -0.01 0.00 1.08 0.00 0.00 64.86 64.38 1vgx h ILE 56 Cb 0.46 1.86 -0.02 0.00 -1.09 0.00 0.00 36.82 38.03 1vgx h ILE 56 CO 0.02 0.50 0.18 -0.74 -1.08 0.00 0.00 178.15 177.03 1vgx h HIS 57 N 0.11 0.50 -0.76 2.19 2.76 -0.93 0.14 115.15 119.16 1vgx h HIS 57 Ca 0.00 -0.02 -0.06 0.00 -2.20 0.00 0.00 60.37 58.10 1vgx h HIS 57 Cb 0.91 -0.16 -0.03 0.00 1.55 0.00 0.00 27.41 29.68 1vgx h HIS 57 CO 0.01 0.42 0.26 1.15 -1.30 0.00 0.00 177.93 178.46 1vgx h THR 58 N 0.44 1.26 -0.68 6.26 2.02 -0.91 -1.80 112.91 119.50 1vgx h THR 58 Ca 0.12 -0.89 0.01 0.00 0.77 0.00 0.00 66.41 66.42 1vgx h THR 58 Cb 0.10 0.40 -0.03 0.00 -1.74 0.00 0.00 68.15 66.87 1vgx h THR 58 CO -0.02 0.35 0.45 -0.07 0.37 0.00 0.00 175.52 176.60 1vgx h LEU 59 N 1.13 0.77 -0.20 2.58 3.38 -0.65 -0.78 115.31 121.53 1vgx h LEU 59 Ca 0.25 -0.02 0.04 0.00 0.09 0.00 0.00 57.88 58.24 1vgx h LEU 59 Cb 0.28 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.81 1vgx h LEU 59 CO -0.01 0.55 -0.05 -0.08 0.09 0.00 0.00 178.44 178.94 1vgx h GLU 60 N 0.91 0.00 -0.72 1.13 4.81 -0.68 0.91 114.58 120.94 1vgx h GLU 60 Ca 0.25 -0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.45 1vgx h GLU 60 Cb -0.09 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.26 1vgx h GLU 60 CO -0.06 0.00 0.31 0.45 -0.73 0.00 0.00 179.01 178.98 1vgx h HIS 61 N 0.00 1.08 -0.12 0.92 3.86 -0.72 -2.36 115.15 117.82 1vgx h HIS 61 Ca 0.10 -0.07 -0.09 0.00 -1.16 0.00 0.00 60.37 59.14 1vgx h HIS 61 Cb 0.14 -0.33 0.00 0.00 1.06 0.00 0.00 27.41 28.29 1vgx h HIS 61 CO -0.22 0.82 -0.29 -0.07 0.86 0.00 0.00 177.93 179.03 1vgx h LEU 62 N 1.03 0.46 -1.21 2.43 3.38 -0.98 -3.27 115.31 117.15 1vgx h LEU 62 Ca 0.24 -0.58 -0.05 0.00 0.09 0.00 0.00 57.88 57.58 1vgx h LEU 62 Cb 0.18 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1vgx h LEU 62 CO -0.02 0.96 -0.25 -0.07 0.09 0.00 0.00 178.44 179.15 1vgx h LEU 63 N -0.02 0.00 -0.50 1.67 3.38 -0.87 -1.31 115.31 117.67 1vgx h LEU 63 Ca -0.00 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.05 1vgx h LEU 63 Cb 0.90 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.58 1vgx h LEU 63 CO 0.06 0.25 0.13 0.00 0.09 0.00 0.00 178.44 178.97 1vgx h ALA 64 N 1.75 0.58 0.17 1.53 0.00 -1.46 0.28 119.26 122.10 1vgx h ALA 64 Ca -0.00 0.09 -0.27 0.00 0.00 0.00 0.00 54.91 54.73 1vgx h ALA 64 Cb 0.71 0.10 0.02 0.00 0.00 0.00 0.00 17.79 18.62 1vgx h ALA 64 CO 0.03 -0.28 -1.24 0.78 0.00 0.00 0.00 179.25 178.54 1vgx h GLY 65 N 0.28 0.40 2.00 0.00 0.00 -1.63 -3.29 103.07 100.83 1vgx h GLY 65 Ca 0.25 -1.03 -0.09 0.00 0.00 0.00 0.00 47.33 46.45 1vgx h GLY 65 CO -0.29 0.90 -0.43 -0.97 0.00 0.00 0.00 176.54 175.75 1vgx h TYR 66 N -0.18 0.00 -0.32 5.60 0.99 -1.19 -1.76 116.97 120.11 1vgx h TYR 66 Ca -0.24 0.00 -0.17 0.00 2.00 0.00 0.00 58.73 60.32 1vgx h TYR 66 Cb 1.85 0.00 -0.00 0.00 1.00 0.00 0.00 36.73 39.58 1vgx h TYR 66 CO 0.15 0.43 -0.47 0.52 -0.00 0.00 0.00 178.16 178.79 1vgx h MET 67 N 0.00 0.84 0.00 4.88 2.86 -1.11 -2.90 114.93 119.50 1vgx h MET 67 Ca -0.00 -0.49 -0.03 0.00 -2.06 0.00 0.00 59.70 57.12 1vgx h MET 67 Cb 0.79 0.04 -0.00 0.00 0.06 0.00 0.00 31.60 32.48 1vgx h MET 67 CO 0.06 1.12 -0.15 0.00 1.06 0.00 0.00 176.91 179.00 1vgx h ARG 68 N 0.67 0.00 0.00 1.72 3.08 -1.53 -0.90 114.38 117.42 1vgx h ARG 68 Ca 0.04 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.04 1vgx h ARG 68 Cb 1.05 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.10 1vgx h ARG 68 CO 0.11 0.15 -0.20 -0.44 -1.07 0.00 0.00 179.97 178.51 1vgx h ASP 69 N 0.00 0.00 -0.03 7.04 3.32 -1.12 -3.30 116.42 122.32 1vgx h ASP 69 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1vgx h ASP 69 Cb 0.42 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.97 1vgx h ASP 69 CO 0.02 0.20 0.00 1.41 -1.72 0.00 0.00 179.24 179.15 1vgx n HIS 70 N -3.38 0.04 -3.69 4.55 8.25 -0.61 -5.03 115.22 115.34 1vgx n HIS 70 Ca 0.00 -0.07 -0.11 0.00 -0.26 0.00 0.00 57.72 57.28 1vgx n HIS 70 Cb 0.41 -0.01 -0.10 0.00 1.12 0.00 0.00 29.99 31.42 1vgx n HIS 70 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 1vgx s LEU 71 N -0.58 -0.14 0.41 2.41 2.96 -0.44 -4.69 118.68 118.62 1vgx s LEU 71 Ca 0.08 1.01 -0.03 0.00 -0.22 0.00 0.00 54.13 54.96 1vgx s LEU 71 Cb 0.05 1.59 -0.04 0.00 0.50 0.00 0.00 46.19 48.30 1vgx s LEU 71 CO 0.08 -0.19 0.68 -1.61 -1.32 0.00 0.00 176.35 173.99 1vgx s GLU 72 N 1.08 3.54 -0.06 1.98 8.01 -1.26 -4.43 118.70 127.56 1vgx s GLU 72 Ca -0.07 0.01 0.00 0.00 0.01 0.00 0.00 54.97 54.92 1vgx s GLU 72 Cb -0.06 -2.50 0.00 0.00 -4.31 0.00 0.00 34.13 27.26 1vgx s GLU 72 CO -0.10 -0.03 0.00 0.41 0.01 0.00 0.00 175.26 175.55 1vgx n GLY 73 N -1.93 0.47 3.72 -1.39 0.00 -1.26 -4.77 105.19 100.04 1vgx n GLY 73 Ca -0.01 -0.46 -0.42 0.00 0.00 0.00 0.00 46.02 45.13 1vgx n GLY 73 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1vgx s VAL 74 N -1.99 3.11 -0.10 1.61 1.01 -1.26 0.04 120.40 122.82 1vgx s VAL 74 Ca 0.00 0.84 -0.02 0.00 0.00 0.00 0.00 61.98 62.79 1vgx s VAL 74 Cb 0.00 -3.53 -0.01 0.00 0.00 0.00 0.00 36.38 32.84 1vgx s VAL 74 CO 0.00 0.09 -0.04 0.58 0.00 0.00 0.00 175.10 175.72 1vgx h VAL 75 N 4.01 0.00 -2.17 2.92 2.07 -1.19 -3.47 116.25 118.42 1vgx h VAL 75 Ca -0.43 -0.88 0.11 0.00 0.82 0.00 0.00 66.70 66.32 1vgx h VAL 75 Cb 1.21 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 30.82 1vgx h VAL 75 CO 0.84 0.00 0.51 -1.81 0.02 0.00 0.00 177.57 177.13 1vgx s ASP 76 N -5.30 -0.36 -0.22 0.57 -0.00 -1.25 -5.02 116.67 105.10 1vgx s ASP 76 Ca -0.04 0.05 -0.05 0.00 -0.00 0.00 0.00 52.55 52.51 1vgx s ASP 76 Cb 0.01 0.37 -0.02 0.00 -0.00 0.00 0.00 42.92 43.27 1vgx s ASP 76 CO 0.05 -0.58 -0.00 -0.69 -0.00 0.00 0.00 175.17 173.95 1vgx s VAL 77 N -2.87 3.78 0.15 -1.27 1.01 -1.26 -2.96 120.40 116.97 1vgx s VAL 77 Ca 0.04 -0.36 0.08 0.00 0.00 0.00 0.00 61.98 61.74 1vgx s VAL 77 Cb -0.01 -2.72 -0.04 0.00 0.00 0.00 0.00 36.38 33.61 1vgx s VAL 77 CO -0.08 0.41 -0.18 -0.44 0.00 0.00 0.00 175.10 174.81 1vgx s SER 78 N 1.33 2.61 0.38 3.32 0.01 0.69 -4.85 113.70 117.19 1vgx s SER 78 Ca 0.04 -0.84 -0.26 0.00 1.31 0.00 0.00 55.95 56.20 1vgx s SER 78 Cb -0.15 -0.15 -0.09 0.00 0.21 0.00 0.00 66.02 65.85 1vgx s SER 78 CO 0.00 -0.03 1.17 -2.16 0.41 0.00 0.00 173.24 172.62 1vgx s PRO 79 N -2.69 4.16 0.42 12.44 0.04 -1.26 0.54 135.00 148.65 1vgx s PRO 79 Ca 0.14 1.85 -0.19 0.00 0.04 0.00 0.00 61.00 62.84 1vgx s PRO 79 Cb -0.06 -2.77 -0.10 0.00 0.04 0.00 0.00 34.50 31.61 1vgx s PRO 79 CO 0.06 -0.23 0.91 -1.64 0.04 0.00 0.00 177.00 176.14 1vgx s MET 80 N -2.16 4.11 0.00 4.56 -1.94 -0.76 -4.65 119.30 118.48 1vgx s MET 80 Ca 0.55 0.97 -0.00 0.00 -1.71 0.00 0.00 55.69 55.50 1vgx s MET 80 Cb -0.31 -2.23 -0.01 0.00 2.01 0.00 0.00 34.83 34.29 1vgx s MET 80 CO 0.39 -0.04 0.42 0.41 -0.01 0.00 0.00 175.02 176.20 1vgx n GLY 81 N -0.79 0.88 0.00 -0.03 0.00 -1.26 -4.61 105.19 99.38 1vgx n GLY 81 Ca 0.06 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1vgx n GLY 81 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1vgx n ARG 83 N 2.22 0.00 0.00 1.61 1.74 -1.26 -5.13 116.66 115.83 1vgx n ARG 83 Ca 0.01 0.00 0.05 0.00 -0.77 0.00 0.00 57.85 57.15 1vgx n ARG 83 Cb 0.08 0.00 0.03 0.00 -1.02 0.00 0.00 32.46 31.55 1vgx n ARG 83 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1vgx n THR 84 N 0.00 0.00 -3.74 0.55 -2.24 -1.26 0.36 114.28 107.94 1vgx n THR 84 Ca 0.00 -0.46 0.00 0.00 -2.27 0.00 0.00 64.05 61.32 1vgx n THR 84 Cb 0.00 1.19 0.00 0.00 -2.10 0.00 0.00 70.33 69.42 1vgx n THR 84 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1vgx n GLY 85 N 0.71 0.78 3.30 3.38 0.00 -1.26 -0.63 105.19 111.47 1vgx n GLY 85 Ca 0.06 -0.90 -0.22 0.00 0.00 0.00 0.00 46.02 44.96 1vgx n GLY 85 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1vgx s MET 86 N -2.00 1.19 -0.06 1.61 1.00 0.17 -1.82 119.30 119.38 1vgx s MET 86 Ca 0.04 -1.31 0.00 0.00 0.00 0.00 0.00 55.69 54.43 1vgx s MET 86 Cb -0.00 -1.28 -0.03 0.00 0.00 0.00 0.00 34.83 33.52 1vgx s MET 86 CO 0.00 0.27 -0.04 0.71 0.00 0.00 0.00 175.02 175.96 1vgx s TYR 87 N -1.80 3.01 -0.05 -0.03 2.02 0.19 -0.74 117.35 119.96 1vgx s TYR 87 Ca 0.12 0.08 -0.02 0.00 -0.37 0.00 0.00 57.07 56.87 1vgx s TYR 87 Cb -0.07 -1.73 0.04 0.00 -0.40 0.00 0.00 41.96 39.80 1vgx s TYR 87 CO 0.05 0.39 0.11 1.41 -1.57 0.00 0.00 175.55 175.94 1vgx s MET 88 N -0.93 0.05 -0.07 -0.62 -2.45 -0.69 -0.22 119.30 114.38 1vgx s MET 88 Ca 0.13 0.33 -0.03 0.00 -1.25 0.00 0.00 55.69 54.87 1vgx s MET 88 Cb -0.11 -0.21 -0.04 0.00 1.25 0.00 0.00 34.83 35.72 1vgx s MET 88 CO 0.03 -0.18 0.08 0.00 1.05 0.00 0.00 175.02 176.00 1vgx s ALA 89 N 1.21 3.61 -0.02 4.11 0.00 -1.16 -0.47 121.76 129.05 1vgx s ALA 89 Ca -0.08 -0.76 0.03 0.00 0.00 0.00 0.00 51.96 51.14 1vgx s ALA 89 Cb -0.12 -1.70 -0.00 0.00 0.00 0.00 0.00 23.12 21.29 1vgx s ALA 89 CO -0.05 0.64 -0.11 0.08 0.00 0.00 0.00 175.76 176.32 1vgx s VAL 90 N -1.05 0.86 -0.40 0.00 1.01 0.23 -0.55 120.40 120.50 1vgx s VAL 90 Ca 0.17 -0.44 -0.26 0.00 0.00 0.00 0.00 61.98 61.45 1vgx s VAL 90 Cb -0.12 -0.74 0.02 0.00 0.00 0.00 0.00 36.38 35.55 1vgx s VAL 90 CO 0.07 0.25 0.96 -0.63 0.00 0.00 0.00 175.10 175.76 1vgx s ILE 91 N -0.08 4.50 0.00 2.22 1.01 0.11 -0.70 121.20 128.25 1vgx s ILE 91 Ca 0.01 1.13 0.00 0.00 0.00 0.00 0.00 60.65 61.79 1vgx s ILE 91 Cb -0.06 -4.40 0.00 0.00 0.01 0.00 0.00 42.46 38.01 1vgx s ILE 91 CO 0.00 -0.67 0.00 0.61 0.00 0.00 0.00 174.94 174.88 1vgx n GLY 92 N 4.54 2.14 3.73 6.18 0.00 0.19 -4.65 105.19 117.31 1vgx n GLY 92 Ca 0.08 -1.44 -0.31 0.00 0.00 0.00 0.00 46.02 44.35 1vgx n GLY 92 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1vgx s GLU 93 N -1.92 1.79 0.34 1.61 1.03 -1.26 -3.62 118.70 116.68 1vgx s GLU 93 Ca 0.00 1.27 -0.29 0.00 0.03 0.00 0.00 54.97 55.98 1vgx s GLU 93 Cb 0.00 -1.84 -0.11 0.00 -0.80 0.00 0.00 34.13 31.39 1vgx s GLU 93 CO 0.00 -2.00 1.43 -2.14 -1.33 0.00 0.00 175.26 171.22 1vgx s PRO 94 N -4.82 4.20 -0.46 -4.83 0.02 -1.26 -4.91 135.00 122.94 1vgx s PRO 94 Ca 0.63 2.44 0.06 0.00 0.02 0.00 0.00 61.00 64.15 1vgx s PRO 94 Cb -0.19 -3.02 0.22 0.00 0.02 0.00 0.00 34.50 31.53 1vgx s PRO 94 CO 0.57 -0.42 0.68 -3.47 -0.33 0.00 0.00 177.00 174.03 1vgx n ASP 95 N 0.87 -1.94 -0.33 2.53 2.03 -1.26 -5.02 116.55 113.43 1vgx n ASP 95 Ca 0.02 -2.94 -0.02 0.00 0.52 0.00 0.00 54.79 52.37 1vgx n ASP 95 Cb 0.40 0.88 0.10 0.00 -0.72 0.00 0.00 41.12 41.78 1vgx n ASP 95 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 1vgx h GLU 96 N 4.46 1.12 -0.11 -0.67 5.08 -1.98 -1.62 114.58 120.86 1vgx h GLU 96 Ca 0.01 -0.07 0.02 0.00 -1.00 0.00 0.00 59.36 58.33 1vgx h GLU 96 Cb 0.99 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 29.97 1vgx h GLU 96 CO 0.29 0.74 -0.04 0.37 -1.00 0.00 0.00 179.01 179.38 1vgx h GLN 97 N 1.16 -0.02 -0.68 2.33 5.75 -1.97 0.85 115.11 122.52 1vgx h GLN 97 Ca 0.34 0.00 -0.08 0.00 -0.15 0.00 0.00 58.65 58.76 1vgx h GLN 97 Cb -0.08 0.01 -0.03 0.00 1.07 0.00 0.00 27.48 28.45 1vgx h GLN 97 CO -0.09 -0.02 0.13 0.78 -2.65 0.00 0.00 178.83 176.98 1vgx h GLY 98 N -0.03 1.19 0.99 2.39 0.00 -1.93 -0.78 103.07 104.91 1vgx h GLY 98 Ca 0.06 -0.78 -0.06 0.00 0.00 0.00 0.00 47.33 46.55 1vgx h GLY 98 CO -0.12 0.72 0.11 -2.08 0.00 0.00 0.00 176.54 175.17 1vgx h VAL 99 N 1.04 1.25 -0.35 4.60 2.07 -1.19 -0.53 116.25 123.14 1vgx h VAL 99 Ca 0.21 -0.90 0.04 0.00 0.82 0.00 0.00 66.70 66.88 1vgx h VAL 99 Cb 0.42 0.82 -0.04 0.00 -1.52 0.00 0.00 31.29 30.96 1vgx h VAL 99 CO 0.01 0.33 0.10 -0.03 0.02 0.00 0.00 177.57 177.99 1vgx h MET 100 N 0.75 0.23 -0.76 1.57 -1.53 -0.54 0.18 114.93 114.82 1vgx h MET 100 Ca 0.16 -0.01 -0.05 0.00 -3.44 0.00 0.00 59.70 56.36 1vgx h MET 100 Cb 0.36 -0.05 -0.03 0.00 -0.55 0.00 0.00 31.60 31.33 1vgx h MET 100 CO 0.01 0.15 0.28 0.87 0.14 0.00 0.00 176.91 178.36 1vgx h LYS 101 N 0.23 1.15 -0.63 0.39 1.79 -0.77 -0.90 116.57 117.83 1vgx h LYS 101 Ca 0.16 -0.22 -0.06 0.00 -2.18 0.00 0.00 60.65 58.34 1vgx h LYS 101 Cb 0.15 -0.18 -0.03 0.00 -1.58 0.00 0.00 32.23 30.60 1vgx h LYS 101 CO -0.18 0.95 0.14 0.00 -1.08 0.00 0.00 179.45 179.29 1vgx h ALA 102 N 1.15 0.83 -0.72 3.86 0.00 -0.64 -1.57 119.26 122.17 1vgx h ALA 102 Ca 0.25 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 1vgx h ALA 102 Cb 0.25 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 1vgx h ALA 102 CO -0.02 0.56 0.28 0.35 0.00 0.00 0.00 179.25 180.42 1vgx h PHE 103 N 0.94 1.10 -0.38 0.00 3.57 -0.46 0.77 116.94 122.48 1vgx h PHE 103 Ca 0.20 -0.08 -0.01 0.00 3.53 0.00 0.00 57.97 61.60 1vgx h PHE 103 Cb 0.37 -0.33 -0.02 0.00 2.79 0.00 0.00 35.95 38.77 1vgx h PHE 103 CO 0.03 0.85 0.20 1.49 -2.23 0.00 0.00 178.31 178.65 1vgx h GLU 104 N 1.03 0.53 -0.53 1.11 4.81 -1.06 0.17 114.58 120.64 1vgx h GLU 104 Ca 0.24 -0.07 -0.06 0.00 -0.13 0.00 0.00 59.36 59.34 1vgx h GLU 104 Cb 0.22 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.47 1vgx h GLU 104 CO -0.02 0.44 0.09 0.00 -0.73 0.00 0.00 179.01 178.79 1vgx h ALA 105 N 1.06 0.71 -0.17 2.92 0.00 -0.83 -1.69 119.26 121.26 1vgx h ALA 105 Ca 0.13 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 1vgx h ALA 105 Cb 0.07 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1vgx h ALA 105 CO -0.02 0.44 -0.12 0.00 0.00 0.00 0.00 179.25 179.55 1vgx h ALA 106 N 0.99 1.50 -0.39 0.00 0.00 -0.40 -1.77 119.26 119.18 1vgx h ALA 106 Ca 0.16 -0.20 -0.15 0.00 0.00 0.00 0.00 54.91 54.72 1vgx h ALA 106 Cb 0.40 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1vgx h ALA 106 CO 0.01 0.36 -0.34 -0.07 0.00 0.00 0.00 179.25 179.21 1vgx h LEU 107 N 0.25 0.95 -0.51 0.00 3.38 -0.37 0.77 115.31 119.79 1vgx h LEU 107 Ca 0.05 -0.41 0.00 0.00 0.09 0.00 0.00 57.88 57.61 1vgx h LEU 107 Cb 0.37 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 1vgx h LEU 107 CO 0.02 1.19 0.32 0.11 0.09 0.00 0.00 178.44 180.17 1vgx h LYS 108 N 0.75 0.68 -0.40 1.13 1.57 -0.93 0.12 116.57 119.49 1vgx h LYS 108 Ca 0.07 -0.05 0.04 0.00 -1.87 0.00 0.00 60.65 58.84 1vgx h LYS 108 Cb 0.91 -0.15 -0.04 0.00 0.08 0.00 0.00 32.23 33.03 1vgx h LYS 108 CO 0.08 0.48 0.16 -0.44 -0.57 0.00 0.00 179.45 179.16 1vgx h ASP 109 N 0.68 0.20 -0.00 0.86 3.45 -1.11 -1.88 116.42 118.62 1vgx h ASP 109 Ca 0.18 0.04 0.00 0.00 0.43 0.00 0.00 57.03 57.68 1vgx h ASP 109 Cb -0.04 0.01 -0.00 0.00 -0.56 0.00 0.00 39.33 38.74 1vgx h ASP 109 CO -0.04 0.15 0.00 0.74 -1.57 0.00 0.00 179.24 178.53 1vgx h THR 110 N 0.34 1.00 -0.33 0.35 2.02 -0.54 -1.99 112.91 113.76 1vgx h THR 110 Ca 0.18 -0.01 0.04 0.00 0.77 0.00 0.00 66.41 67.38 1vgx h THR 110 Cb 0.14 1.01 -0.02 0.00 -1.74 0.00 0.00 68.15 67.54 1vgx h THR 110 CO -0.16 0.00 0.22 0.00 0.37 0.00 0.00 175.52 175.95 1vgx h ALA 111 N 1.00 1.94 -0.50 6.16 0.00 -0.59 -1.36 119.26 125.91 1vgx h ALA 111 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1vgx h ALA 111 Cb 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1vgx h ALA 111 CO -0.00 0.01 0.00 0.41 0.00 0.00 0.00 179.25 179.67 1vgx n GLY 112 N -1.52 1.38 3.56 0.00 0.00 -0.72 -4.89 105.19 103.00 1vgx n GLY 112 Ca 0.03 -0.56 -0.41 0.00 0.00 0.00 0.00 46.02 45.08 1vgx n GLY 112 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1vgx s HIS 113 N -1.34 2.18 -0.28 1.61 2.46 -0.51 -4.83 115.29 114.58 1vgx s HIS 113 Ca 0.35 0.29 0.08 0.00 0.47 0.00 0.00 55.06 56.25 1vgx s HIS 113 Cb 0.18 -4.45 0.45 0.00 -0.13 0.00 0.00 32.58 28.63 1vgx s HIS 113 CO 0.24 -2.06 1.26 -0.40 -2.47 0.00 0.00 174.74 171.30 1vgx n ASP 114 N 10.01 3.76 -4.57 9.88 3.85 -1.26 -4.97 116.55 133.25 1vgx n ASP 114 Ca 0.09 -3.81 -0.26 0.00 -0.71 0.00 0.00 54.79 50.10 1vgx n ASP 114 Cb 0.50 -0.45 -0.11 0.00 -1.35 0.00 0.00 41.12 39.71 1vgx n ASP 114 CO 0.00 0.00 0.00 -1.10 -1.01 0.00 0.00 177.20 175.09 1vgx s GLN 115 N -3.46 1.88 0.63 0.11 -1.52 -1.26 -5.13 119.66 110.91 1vgx s GLN 115 Ca 0.47 -2.06 -0.17 0.00 -1.95 0.00 0.00 55.36 51.64 1vgx s GLN 115 Cb 0.40 -1.40 -0.06 0.00 -0.22 0.00 0.00 33.01 31.73 1vgx s GLN 115 CO -0.00 -0.10 0.63 -2.30 -0.25 0.00 0.00 175.29 173.27 1vgx n PRO 116 N -0.89 0.52 -2.28 2.91 -0.02 -1.26 -4.91 135.00 129.07 1vgx n PRO 116 Ca -0.05 0.21 -0.42 0.00 -2.02 0.00 0.00 63.50 61.23 1vgx n PRO 116 Cb 0.67 -1.86 -0.03 0.00 -0.02 0.00 0.00 33.50 32.26 1vgx n PRO 116 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1vgx s ILE 117 N -1.74 3.62 0.31 4.25 1.01 -1.26 -4.96 121.20 122.43 1vgx s ILE 117 Ca 0.70 1.16 -0.29 0.00 0.00 0.00 0.00 60.65 62.21 1vgx s ILE 117 Cb -0.40 -3.74 -0.10 0.00 0.01 0.00 0.00 42.46 38.22 1vgx s ILE 117 CO 0.54 0.09 1.42 -2.16 0.00 0.00 0.00 174.94 174.82 1vgx s PRO 118 N 1.13 4.25 -0.47 2.79 0.04 -1.26 -3.52 135.00 137.96 1vgx s PRO 118 Ca 0.62 2.36 -0.00 0.00 0.04 0.00 0.00 61.00 64.02 1vgx s PRO 118 Cb -0.34 -3.06 0.00 0.00 0.04 0.00 0.00 34.50 31.15 1vgx s PRO 118 CO 0.30 -0.39 0.04 0.41 0.04 0.00 0.00 177.00 177.40 1vgx n GLY 119 N 1.33 0.19 3.21 0.56 0.00 -1.26 -4.88 105.19 104.33 1vgx n GLY 119 Ca 0.03 -0.63 -0.41 0.00 0.00 0.00 0.00 46.02 45.02 1vgx n GLY 119 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1vgx s VAL 120 N -2.37 4.26 0.11 1.61 1.01 -1.23 -4.01 120.40 119.78 1vgx s VAL 120 Ca 0.02 -2.01 -0.26 0.00 0.00 0.00 0.00 61.98 59.72 1vgx s VAL 120 Cb -0.01 -3.79 0.08 0.00 0.00 0.00 0.00 36.38 32.66 1vgx s VAL 120 CO 0.02 -0.81 1.00 -0.94 0.00 0.00 0.00 175.10 174.37 1vgx s SER 121 N 2.35 -0.18 0.56 3.32 1.04 -1.26 -4.99 113.70 114.54 1vgx s SER 121 Ca 0.08 -0.32 0.35 0.00 0.48 0.00 0.00 55.95 56.55 1vgx s SER 121 Cb -0.24 0.43 1.49 0.00 0.10 0.00 0.00 66.02 67.80 1vgx s SER 121 CO -0.02 -0.78 2.03 1.05 0.98 0.00 0.00 173.24 176.50 1vgx h GLU 122 N 2.00 0.00 0.11 4.02 4.11 -1.95 -1.46 114.58 121.41 1vgx h GLU 122 Ca -0.24 0.00 -0.27 0.00 0.07 0.00 0.00 59.36 58.92 1vgx h GLU 122 Cb 1.23 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.48 1vgx h GLU 122 CO 0.26 0.00 -1.23 -0.07 0.07 0.00 0.00 179.01 178.04 1vgx h LEU 123 N 0.00 0.36 -0.65 3.06 -0.00 -1.96 -3.40 115.31 112.73 1vgx h LEU 123 Ca 0.00 -0.40 0.00 0.00 -0.00 0.00 0.00 57.88 57.48 1vgx h LEU 123 Cb 0.45 -0.12 0.00 0.00 -0.00 0.00 0.00 40.66 40.99 1vgx h LEU 123 CO 0.00 1.31 -0.24 -0.62 -0.00 0.00 0.00 178.44 178.90 1vgx n GLU 124 N -3.50 2.34 -3.81 1.13 1.02 -0.97 -5.01 120.64 111.83 1vgx n GLU 124 Ca -0.08 -0.52 -0.13 0.00 -0.02 0.00 0.00 57.16 56.42 1vgx n GLU 124 Cb 1.01 -1.06 -0.13 0.00 -0.02 0.00 0.00 31.44 31.25 1vgx n GLU 124 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1vgx n GLY 126 N 3.21 -1.03 2.63 0.00 0.00 -1.26 -3.88 105.19 104.86 1vgx n GLY 126 Ca -0.15 -0.12 -0.11 0.00 0.00 0.00 0.00 46.02 45.64 1vgx n GLY 126 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1vgx n ASN 127 N -1.24 -1.95 0.32 1.61 2.85 -1.26 -5.01 115.26 110.58 1vgx n ASN 127 Ca 0.13 -3.43 0.22 0.00 -0.11 0.00 0.00 54.58 51.38 1vgx n ASN 127 Cb 0.17 1.41 1.12 0.00 1.24 0.00 0.00 39.78 43.73 1vgx n ASN 127 CO 0.00 0.00 0.00 0.10 -2.11 0.00 0.00 177.26 175.25 1vgx h TYR 128 N 3.38 0.00 -0.00 1.20 -0.00 -1.83 -0.72 116.97 119.00 1vgx h TYR 128 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.65 1vgx h TYR 128 Cb 1.05 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.78 1vgx h TYR 128 CO 0.25 0.00 -0.12 0.54 -0.00 0.00 0.00 178.16 178.83 1vgx n ARG 129 N -3.06 0.14 -3.18 0.10 1.74 -1.26 -4.48 116.66 106.66 1vgx n ARG 129 Ca -0.02 -0.03 -0.39 0.00 -0.77 0.00 0.00 57.85 56.64 1vgx n ARG 129 Cb 0.11 -1.50 -0.02 0.00 -1.02 0.00 0.00 32.46 30.03 1vgx n ARG 129 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1vgx n ASP 130 N -1.40 5.54 -4.18 0.55 2.03 -0.28 -5.00 116.55 113.82 1vgx n ASP 130 Ca 0.08 -3.37 -0.14 0.00 0.52 0.00 0.00 54.79 51.88 1vgx n ASP 130 Cb 0.32 -1.12 -0.11 0.00 -0.72 0.00 0.00 41.12 39.50 1vgx n ASP 130 CO 0.00 0.00 0.00 -1.00 -1.92 0.00 0.00 177.20 174.28 1vgx s HIS 131 N -2.49 1.06 -0.39 -0.67 3.76 -1.26 -4.44 115.29 110.85 1vgx s HIS 131 Ca 0.33 -0.67 0.05 0.00 -0.15 0.00 0.00 55.06 54.61 1vgx s HIS 131 Cb 0.05 -0.58 0.16 0.00 1.11 0.00 0.00 32.58 33.33 1vgx s HIS 131 CO 0.05 -0.01 0.46 0.34 -0.85 0.00 0.00 174.74 174.73 1vgx s ASP 132 N -2.50 0.29 0.17 1.40 -1.08 -1.21 -4.84 116.67 108.91 1vgx s ASP 132 Ca 0.06 -1.42 -0.12 0.00 -0.52 0.00 0.00 52.55 50.55 1vgx s ASP 132 Cb -0.02 0.99 0.08 0.00 -1.46 0.00 0.00 42.92 42.50 1vgx s ASP 132 CO -0.00 -0.22 1.74 0.25 0.52 0.00 0.00 175.17 177.46 1vgx h LEU 133 N 6.90 0.79 -0.37 -1.34 5.85 -1.95 -1.86 115.31 123.33 1vgx h LEU 133 Ca 0.06 -0.15 -0.00 0.00 0.84 0.00 0.00 57.88 58.63 1vgx h LEU 133 Cb 1.09 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.90 1vgx h LEU 133 CO 0.17 0.72 0.22 0.00 -0.34 0.00 0.00 178.44 179.21 1vgx h ALA 134 N 1.10 0.47 -0.57 1.25 0.00 -1.96 -0.35 119.26 119.20 1vgx h ALA 134 Ca 0.20 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.96 1vgx h ALA 134 Cb 0.16 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1vgx h ALA 134 CO -0.02 -0.02 -0.01 0.00 0.00 0.00 0.00 179.25 179.20 1vgx h ALA 135 N 1.09 0.91 -0.71 0.00 0.00 -1.96 -1.10 119.26 117.49 1vgx h ALA 135 Ca 0.13 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 1vgx h ALA 135 Cb 0.02 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 1vgx h ALA 135 CO -0.02 0.65 0.37 0.00 0.00 0.00 0.00 179.25 180.24 1vgx h ALA 136 N 1.07 0.91 -0.75 0.00 0.00 -0.99 -0.88 119.26 118.63 1vgx h ALA 136 Ca 0.16 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 1vgx h ALA 136 Cb 0.54 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 1vgx h ALA 136 CO 0.03 0.44 0.27 0.00 0.00 0.00 0.00 179.25 180.00 1vgx h ARG 137 N 0.98 1.13 -0.37 0.00 3.08 -0.92 -1.70 114.38 116.58 1vgx h ARG 137 Ca 0.25 -0.22 -0.11 0.00 0.07 0.00 0.00 59.98 59.96 1vgx h ARG 137 Cb 0.07 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 29.93 1vgx h ARG 137 CO -0.04 0.94 -0.23 0.37 -1.07 0.00 0.00 179.97 179.95 1vgx h GLN 138 N 1.09 0.73 -0.68 0.04 5.75 -0.92 -0.88 115.11 120.24 1vgx h GLN 138 Ca 0.25 -0.29 -0.05 0.00 -0.15 0.00 0.00 58.65 58.41 1vgx h GLN 138 Cb 0.25 -0.04 -0.03 0.00 1.07 0.00 0.00 27.48 28.73 1vgx h GLN 138 CO -0.02 0.89 0.23 0.45 -2.65 0.00 0.00 178.83 177.74 1vgx h HIS 139 N 0.64 1.08 -0.19 3.99 3.86 -0.88 0.84 115.15 124.49 1vgx h HIS 139 Ca 0.09 -0.10 -0.00 0.00 -1.16 0.00 0.00 60.37 59.19 1vgx h HIS 139 Cb 0.72 -0.32 -0.01 0.00 1.06 0.00 0.00 27.41 28.87 1vgx h HIS 139 CO 0.04 0.86 0.10 0.00 0.86 0.00 0.00 177.93 179.79 1vgx h ALA 140 N 1.10 0.25 -0.76 2.45 0.00 -1.06 -1.65 119.26 119.59 1vgx h ALA 140 Ca 0.22 -0.07 0.05 0.00 0.00 0.00 0.00 54.91 55.11 1vgx h ALA 140 Cb 0.27 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.93 1vgx h ALA 140 CO -0.01 -0.21 0.47 0.00 0.00 0.00 0.00 179.25 179.50 1vgx h ARG 141 N 0.20 0.85 -0.48 0.00 3.08 -0.88 -2.18 114.38 114.96 1vgx h ARG 141 Ca 0.07 -0.05 0.03 0.00 0.07 0.00 0.00 59.98 60.09 1vgx h ARG 141 Cb 0.08 -0.19 -0.03 0.00 0.08 0.00 0.00 29.97 29.91 1vgx h ARG 141 CO -0.01 0.57 0.28 -0.44 -1.07 0.00 0.00 179.97 179.30 1vgx h ASP 142 N 0.88 0.45 -0.14 7.04 3.32 -0.53 0.98 116.42 128.42 1vgx h ASP 142 Ca 0.32 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.39 1vgx h ASP 142 Cb 0.11 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 1vgx h ASP 142 CO -0.15 0.32 0.08 0.58 -1.72 0.00 0.00 179.24 178.35 1vgx h VAL 143 N 0.56 1.02 -0.60 -1.35 2.07 -0.99 -1.56 116.25 115.39 1vgx h VAL 143 Ca 0.20 -0.06 -0.02 0.00 0.82 0.00 0.00 66.70 67.64 1vgx h VAL 143 Cb 0.03 0.84 -0.03 0.00 -1.52 0.00 0.00 31.29 30.61 1vgx h VAL 143 CO -0.10 0.03 0.28 -0.07 0.02 0.00 0.00 177.57 177.73 1vgx h LEU 144 N 0.17 0.77 -0.57 2.57 3.38 -1.07 0.12 115.31 120.68 1vgx h LEU 144 Ca 0.05 -0.08 -0.06 0.00 0.09 0.00 0.00 57.88 57.88 1vgx h LEU 144 Cb -0.01 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 1vgx h LEU 144 CO -0.02 0.66 0.12 0.44 0.09 0.00 0.00 178.44 179.73 1vgx h ASP 145 N 0.85 0.87 0.04 -0.43 3.32 -0.56 -3.07 116.42 117.44 1vgx h ASP 145 Ca 0.21 -0.24 -0.21 0.00 0.02 0.00 0.00 57.03 56.81 1vgx h ASP 145 Cb 0.10 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.43 1vgx h ASP 145 CO -0.03 0.89 -0.78 1.56 -1.72 0.00 0.00 179.24 179.17 1vgx h GLN 146 N 0.82 0.62 0.00 3.56 4.20 -0.76 -3.50 115.11 120.05 1vgx h GLN 146 Ca 0.18 -0.52 0.00 0.00 0.06 0.00 0.00 58.65 58.37 1vgx h GLN 146 Cb 0.37 0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.26 1vgx h GLN 146 CO 0.01 1.14 0.00 0.41 -0.67 0.00 0.00 178.83 179.72 1vgx n GLY 147 N 0.67 1.63 3.94 3.46 0.00 0.39 -4.99 105.19 110.29 1vgx n GLY 147 Ca -0.06 -1.47 -0.24 0.00 0.00 0.00 0.00 46.02 44.24 1vgx n GLY 147 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1vgx s LEU 148 N -0.10 3.03 0.10 0.99 1.43 -1.26 -4.48 118.68 118.39 1vgx s LEU 148 Ca 0.00 0.35 -0.25 0.00 -1.03 0.00 0.00 54.13 53.20 1vgx s LEU 148 Cb 0.00 -3.09 0.08 0.00 0.03 0.00 0.00 46.19 43.21 1vgx s LEU 148 CO 0.00 -1.37 0.70 -1.59 0.23 0.00 0.00 176.35 174.32 1vgx s LYS 149 N -5.05 1.12 -0.35 1.70 0.00 -1.25 -5.01 119.74 110.91 1vgx s LYS 149 Ca 0.58 -0.41 -0.27 0.00 0.00 0.00 0.00 55.97 55.88 1vgx s LYS 149 Cb -0.11 0.52 0.01 0.00 0.00 0.00 0.00 37.83 38.26 1vgx s LYS 149 CO 0.43 -0.49 0.96 0.08 0.00 0.00 0.00 175.35 176.33 1vgx s VAL 150 N -3.53 4.58 -0.19 1.79 1.01 -1.26 -1.56 120.40 121.25 1vgx s VAL 150 Ca 0.02 1.37 -0.20 0.00 0.00 0.00 0.00 61.98 63.18 1vgx s VAL 150 Cb -0.01 -4.34 -0.03 0.00 0.00 0.00 0.00 36.38 32.00 1vgx s VAL 150 CO -0.12 -0.49 0.59 -1.58 0.00 0.00 0.00 175.10 173.51 1vgx s GLN 151 N 3.48 4.22 0.45 2.72 2.00 -0.39 -4.95 119.66 127.20 1vgx s GLN 151 Ca 0.40 0.56 -0.23 0.00 -2.00 0.00 0.00 55.36 54.09 1vgx s GLN 151 Cb -0.12 -3.56 -0.08 0.00 0.80 0.00 0.00 33.01 30.05 1vgx s GLN 151 CO 0.17 -0.18 1.16 -1.21 -0.50 0.00 0.00 175.29 174.73 1vgx s GLU 152 N 1.71 3.79 -0.20 1.67 2.02 -1.26 -4.60 118.70 121.83 1vgx s GLU 152 Ca 0.28 1.78 -0.29 0.00 0.02 0.00 0.00 54.97 56.75 1vgx s GLU 152 Cb -0.16 -2.43 0.00 0.00 0.10 0.00 0.00 34.13 31.64 1vgx s GLU 152 CO 0.10 -0.52 1.06 0.99 0.02 0.00 0.00 175.26 176.91 1vgx s THR 153 N -1.53 4.64 -0.40 3.63 2.01 -1.26 -4.97 115.64 117.75 1vgx s THR 153 Ca 0.63 1.97 -0.15 0.00 0.31 0.00 0.00 61.69 64.45 1vgx s THR 153 Cb -0.29 -4.27 0.02 0.00 0.01 0.00 0.00 72.50 67.97 1vgx s THR 153 CO 0.35 -0.15 0.31 -0.63 -0.69 0.00 0.00 174.62 173.81 1vgx s ILE 154 N 3.07 5.24 0.47 1.82 -1.09 -1.26 -5.05 121.20 124.40 1vgx s ILE 154 Ca 0.46 -0.57 -0.19 0.00 -2.23 0.00 0.00 60.65 58.12 1vgx s ILE 154 Cb -0.16 -3.92 -0.09 0.00 -1.58 0.00 0.00 42.46 36.71 1vgx s ILE 154 CO 0.09 -0.29 0.98 -0.76 -1.23 0.00 0.00 174.94 173.73 1vgx s LEU 155 N 1.74 3.82 0.00 2.97 1.43 -1.26 -0.36 118.68 127.02 1vgx s LEU 155 Ca 0.06 1.70 0.22 0.00 -1.03 0.00 0.00 54.13 55.08 1vgx s LEU 155 Cb -0.19 -4.53 1.33 0.00 0.03 0.00 0.00 46.19 42.83 1vgx s LEU 155 CO 0.10 -0.52 1.71 0.18 0.23 0.00 0.00 176.35 178.05