#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vga s LYS 4 N 0.00 4.25 0.83 5.56 2.20 -1.26 -5.03 119.74 126.28 1vga s LYS 4 Ca 0.00 0.89 -0.11 0.00 -0.36 0.00 0.00 55.97 56.39 1vga s LYS 4 Cb 0.00 -3.59 0.09 0.00 -1.51 0.00 0.00 37.83 32.82 1vga s LYS 4 CO 0.00 -0.34 1.14 0.71 -0.36 0.00 0.00 175.35 176.50 1vga s TYR 5 N 2.20 2.06 -0.13 4.03 2.02 -1.26 -4.83 117.35 121.44 1vga s TYR 5 Ca 0.35 1.67 -0.04 0.00 -0.37 0.00 0.00 57.07 58.69 1vga s TYR 5 Cb -0.16 -3.25 0.06 0.00 -0.40 0.00 0.00 41.96 38.20 1vga s TYR 5 CO 0.11 -2.38 0.15 0.12 -1.57 0.00 0.00 175.55 171.98 1vga s PHE 6 N -2.62 -0.10 -0.21 2.71 2.19 -0.60 -1.19 117.98 118.16 1vga s PHE 6 Ca 0.66 0.30 -0.00 0.00 0.33 0.00 0.00 56.93 58.21 1vga s PHE 6 Cb -0.22 -0.39 0.02 0.00 -1.31 0.00 0.00 43.02 41.12 1vga s PHE 6 CO 0.54 -0.39 -0.14 0.08 1.83 0.00 0.00 175.22 177.14 1vga s VAL 7 N 2.26 2.47 0.01 3.12 1.01 0.10 -1.64 120.40 127.74 1vga s VAL 7 Ca 0.04 -0.91 0.08 0.00 0.00 0.00 0.00 61.98 61.19 1vga s VAL 7 Cb -0.14 -2.13 -0.03 0.00 0.00 0.00 0.00 36.38 34.09 1vga s VAL 7 CO -0.08 0.42 -0.24 0.00 0.00 0.00 0.00 175.10 175.20 1vga s ALA 8 N 1.32 2.31 -0.32 5.51 0.00 -0.11 -1.20 121.76 129.27 1vga s ALA 8 Ca 0.03 -1.18 -0.08 0.00 0.00 0.00 0.00 51.96 50.73 1vga s ALA 8 Cb -0.14 -0.58 0.01 0.00 0.00 0.00 0.00 23.12 22.40 1vga s ALA 8 CO -0.09 0.54 0.12 0.00 0.00 0.00 0.00 175.76 176.33 1vga s ALA 9 N -0.75 3.16 -0.56 0.00 0.00 0.12 -0.33 121.76 123.40 1vga s ALA 9 Ca 0.12 -1.52 -0.15 0.00 0.00 0.00 0.00 51.96 50.40 1vga s ALA 9 Cb -0.10 -2.31 0.14 0.00 0.00 0.00 0.00 23.12 20.85 1vga s ALA 9 CO 0.01 -1.05 0.52 1.21 0.00 0.00 0.00 175.76 176.45 1vga s ASN 10 N 1.53 6.21 0.00 0.00 2.47 0.57 -0.19 114.94 125.53 1vga s ASN 10 Ca 0.02 -1.88 0.20 0.00 0.42 0.00 0.00 52.86 51.63 1vga s ASN 10 Cb -0.18 -2.20 1.05 0.00 -1.45 0.00 0.00 41.25 38.47 1vga s ASN 10 CO 0.04 -0.82 1.64 0.79 -3.72 0.00 0.00 177.10 175.02 1vga n TRP 11 N 5.11 0.00 -1.88 0.43 8.01 -1.01 -4.42 117.44 123.69 1vga n TRP 11 Ca -0.11 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.08 1vga n TRP 11 Cb 0.41 -0.25 0.00 0.00 -2.01 0.00 0.00 31.31 29.45 1vga n TRP 11 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.69 178.31 1vga n LYS 12 N -1.25 0.00 -2.76 -0.99 5.02 -1.26 -2.61 118.16 114.31 1vga n LYS 12 Ca 0.10 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.96 1vga n LYS 12 Cb 0.15 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.17 1vga n LYS 12 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1vga s ASN 14 N -0.56 0.02 0.00 0.00 -0.87 -1.07 -5.14 114.94 107.33 1vga s ASN 14 Ca 0.35 -0.10 0.00 0.00 -1.57 0.00 0.00 52.86 51.54 1vga s ASN 14 Cb 0.06 0.16 0.00 0.00 -0.02 0.00 0.00 41.25 41.45 1vga s ASN 14 CO 0.06 -0.18 0.00 0.61 -2.57 0.00 0.00 177.10 175.01 1vga n GLY 15 N 2.27 3.62 3.32 0.66 0.00 -1.26 -4.76 105.19 109.03 1vga n GLY 15 Ca -0.18 -1.75 -0.16 0.00 0.00 0.00 0.00 46.02 43.93 1vga n GLY 15 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1vga s THR 16 N -2.40 0.83 0.18 2.61 -4.23 -1.26 -5.01 115.64 106.36 1vga s THR 16 Ca 0.00 -2.01 -0.13 0.00 -1.18 0.00 0.00 61.69 58.37 1vga s THR 16 Cb 0.00 -2.41 0.07 0.00 1.34 0.00 0.00 72.50 71.50 1vga s THR 16 CO 0.00 -0.24 1.80 -0.07 -0.54 0.00 0.00 174.62 175.57 1vga h LEU 17 N 2.47 0.41 -0.56 4.79 3.38 -2.00 -1.52 115.31 122.28 1vga h LEU 17 Ca -0.38 0.02 -0.15 0.00 0.09 0.00 0.00 57.88 57.46 1vga h LEU 17 Cb 1.23 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.91 1vga h LEU 17 CO 0.63 0.29 -0.52 -0.08 0.09 0.00 0.00 178.44 178.85 1vga h GLU 18 N 0.54 0.54 -0.27 1.13 4.57 -1.99 -2.13 114.58 116.96 1vga h GLU 18 Ca 0.22 -0.33 -0.07 0.00 -1.18 0.00 0.00 59.36 58.00 1vga h GLU 18 Cb 0.10 0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.70 1vga h GLU 18 CO -0.14 0.93 -0.14 0.66 -1.18 0.00 0.00 179.01 179.14 1vga h SER 19 N 0.42 0.44 -0.43 1.04 4.64 -1.88 -2.01 113.55 115.77 1vga h SER 19 Ca 0.01 -0.11 -0.14 0.00 -0.47 0.00 0.00 61.79 61.08 1vga h SER 19 Cb 1.05 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 63.01 1vga h SER 19 CO 0.10 0.61 -0.29 0.40 -0.87 0.00 0.00 176.83 176.78 1vga h ILE 20 N 0.42 1.27 -0.19 0.95 1.08 -1.09 -0.93 117.51 119.02 1vga h ILE 20 Ca 0.08 -1.45 0.02 0.00 -0.39 0.00 0.00 64.86 63.11 1vga h ILE 20 Cb 0.49 1.26 -0.02 0.00 -3.07 0.00 0.00 36.82 35.49 1vga h ILE 20 CO 0.03 0.49 0.05 0.11 -0.69 0.00 0.00 178.15 178.15 1vga h LYS 21 N 0.78 0.14 -0.30 2.37 1.57 -1.04 0.25 116.57 120.34 1vga h LYS 21 Ca 0.09 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.85 1vga h LYS 21 Cb 0.87 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.14 1vga h LYS 21 CO 0.08 0.09 0.14 0.77 -0.57 0.00 0.00 179.45 179.96 1vga h SER 22 N 0.14 0.40 -0.09 0.86 0.02 -1.23 -1.83 113.55 111.81 1vga h SER 22 Ca 0.08 -0.13 -0.02 0.00 -0.84 0.00 0.00 61.79 60.89 1vga h SER 22 Cb 0.06 -0.10 -0.00 0.00 0.14 0.00 0.00 62.40 62.50 1vga h SER 22 CO -0.09 0.42 -0.00 0.25 -1.14 0.00 0.00 176.83 176.26 1vga h LEU 23 N 0.35 0.16 -1.38 5.07 5.85 -1.01 -2.68 115.31 121.68 1vga h LEU 23 Ca 0.10 -0.32 -0.02 0.00 0.84 0.00 0.00 57.88 58.49 1vga h LEU 23 Cb 0.13 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 1vga h LEU 23 CO -0.01 0.44 0.19 0.71 -0.34 0.00 0.00 178.44 179.43 1vga h THR 24 N -0.12 1.16 -0.72 1.05 1.35 -0.96 -0.60 112.91 114.06 1vga h THR 24 Ca 0.03 -0.48 -0.03 0.00 -0.55 0.00 0.00 66.41 65.38 1vga h THR 24 Cb 0.36 0.63 -0.03 0.00 -1.73 0.00 0.00 68.15 67.37 1vga h THR 24 CO 0.01 0.19 0.35 -1.13 -0.25 0.00 0.00 175.52 174.68 1vga h ASN 25 N 0.61 0.95 -0.10 5.36 -0.73 -1.23 0.25 115.58 120.70 1vga h ASN 25 Ca 0.15 -0.13 -0.13 0.00 1.87 0.00 0.00 56.30 58.06 1vga h ASN 25 Cb 0.10 -0.24 -0.01 0.00 0.27 0.00 0.00 38.32 38.44 1vga h ASN 25 CO -0.02 0.82 -0.37 0.77 -0.37 0.00 0.00 177.43 178.25 1vga h SER 26 N 1.01 0.64 -0.55 1.15 4.64 -1.01 -2.91 113.55 116.52 1vga h SER 26 Ca 0.25 -0.28 -0.05 0.00 -0.47 0.00 0.00 61.79 61.25 1vga h SER 26 Cb 0.12 -0.18 -0.02 0.00 -0.31 0.00 0.00 62.40 62.01 1vga h SER 26 CO -0.03 0.95 0.17 -0.26 -0.87 0.00 0.00 176.83 176.79 1vga h PHE 27 N 0.51 0.90 -0.01 4.77 -1.00 -0.61 -2.49 116.94 119.00 1vga h PHE 27 Ca 0.05 -0.09 0.00 0.00 2.81 0.00 0.00 57.97 60.74 1vga h PHE 27 Cb 0.88 -0.26 -0.00 0.00 3.61 0.00 0.00 35.95 40.18 1vga h PHE 27 CO 0.04 0.76 0.07 -0.91 -1.61 0.00 0.00 178.31 176.65 1vga h ASN 28 N 0.77 0.00 0.89 2.17 2.35 -0.76 -1.10 115.58 119.90 1vga h ASN 28 Ca 0.18 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.93 1vga h ASN 28 Cb 0.29 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.66 1vga h ASN 28 CO -0.01 0.00 0.00 0.78 -1.65 0.00 0.00 177.43 176.55 1vga h ASN 29 N 0.00 0.00 -3.18 5.81 -0.26 -1.40 -3.43 115.58 113.12 1vga h ASN 29 Ca 0.00 0.00 -0.57 0.00 -0.56 0.00 0.00 56.30 55.17 1vga h ASN 29 Cb 0.14 0.00 -0.05 0.00 -1.06 0.00 0.00 38.32 37.35 1vga h ASN 29 CO -0.00 0.00 0.66 -0.22 -1.06 0.00 0.00 177.43 176.81 1vga s LEU 30 N -4.96 4.17 -0.48 1.61 2.96 -0.42 -5.00 118.68 116.56 1vga s LEU 30 Ca 0.04 1.42 -0.19 0.00 -0.22 0.00 0.00 54.13 55.18 1vga s LEU 30 Cb 0.09 -3.52 0.05 0.00 0.50 0.00 0.00 46.19 43.31 1vga s LEU 30 CO 0.45 -0.55 0.61 -0.62 -1.32 0.00 0.00 176.35 174.92 1vga s ASP 31 N 1.16 6.24 0.09 3.68 2.15 -1.26 -5.02 116.67 123.71 1vga s ASP 31 Ca 0.45 -0.76 0.01 0.00 0.43 0.00 0.00 52.55 52.68 1vga s ASP 31 Cb -0.17 -2.29 -0.04 0.00 -0.30 0.00 0.00 42.92 40.12 1vga s ASP 31 CO 0.12 -0.83 -0.05 0.72 -0.17 0.00 0.00 175.17 174.96 1vga s PHE 32 N 2.62 0.82 -0.40 -5.34 -0.71 -1.26 -5.13 117.98 108.57 1vga s PHE 32 Ca 0.16 -0.97 -0.15 0.00 -1.04 0.00 0.00 56.93 54.93 1vga s PHE 32 Cb -0.18 -0.50 0.02 0.00 -1.21 0.00 0.00 43.02 41.15 1vga s PHE 32 CO 0.14 -0.22 0.31 0.34 -1.34 0.00 0.00 175.22 174.44 1vga s ASP 33 N -3.02 6.12 0.13 1.98 -1.08 -1.26 -4.96 116.67 114.57 1vga s ASP 33 Ca 0.12 -0.83 0.14 0.00 -0.52 0.00 0.00 52.55 51.45 1vga s ASP 33 Cb 0.06 -2.16 0.63 0.00 -1.46 0.00 0.00 42.92 39.99 1vga s ASP 33 CO -0.05 -0.44 1.42 -0.81 0.52 0.00 0.00 175.17 175.80 1vga n PRO 34 N 5.20 0.07 0.08 4.34 -0.04 -1.26 -1.14 135.00 142.25 1vga n PRO 34 Ca -0.11 0.45 0.12 0.00 -0.04 0.00 0.00 63.50 63.92 1vga n PRO 34 Cb 0.47 -1.68 0.24 0.00 -0.04 0.00 0.00 33.50 32.49 1vga n PRO 34 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1vga n SER 35 N -1.82 0.74 -0.06 3.54 3.41 -1.26 -3.91 113.62 114.26 1vga n SER 35 Ca 0.01 0.26 -0.04 0.00 -0.26 0.00 0.00 58.87 58.84 1vga n SER 35 Cb 0.10 -0.14 -0.15 0.00 -0.26 0.00 0.00 64.21 63.76 1vga n SER 35 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1vga n LYS 36 N -2.17 0.67 -3.64 4.33 5.02 -0.29 -4.99 118.16 117.09 1vga n LYS 36 Ca 0.04 -0.00 -0.15 0.00 -2.02 0.00 0.00 58.31 56.18 1vga n LYS 36 Cb 0.44 -1.57 -0.08 0.00 -0.02 0.00 0.00 35.03 33.80 1vga n LYS 36 CO 0.00 0.00 0.00 -0.48 -0.52 0.00 0.00 177.40 176.40 1vga s LEU 37 N -5.35 -0.12 -0.05 -0.35 2.34 -1.04 -4.21 118.68 109.89 1vga s LEU 37 Ca -0.08 0.76 -0.16 0.00 0.06 0.00 0.00 54.13 54.70 1vga s LEU 37 Cb 0.08 2.01 -0.05 0.00 -0.56 0.00 0.00 46.19 47.67 1vga s LEU 37 CO 0.84 -0.40 0.43 -1.81 -1.06 0.00 0.00 176.35 174.35 1vga s ASP 38 N -0.60 6.75 -0.18 1.48 1.01 -0.33 -4.28 116.67 120.50 1vga s ASP 38 Ca -0.07 0.89 -0.00 0.00 0.71 0.00 0.00 52.55 54.07 1vga s ASP 38 Cb -0.03 -2.26 0.05 0.00 1.01 0.00 0.00 42.92 41.69 1vga s ASP 38 CO 0.05 0.19 -0.04 -0.69 0.21 0.00 0.00 175.17 174.89 1vga s VAL 39 N -0.37 1.14 -0.07 -1.27 1.01 -1.26 -0.72 120.40 118.86 1vga s VAL 39 Ca 0.24 -0.75 0.04 0.00 0.00 0.00 0.00 61.98 61.51 1vga s VAL 39 Cb -0.16 -1.37 -0.02 0.00 0.00 0.00 0.00 36.38 34.84 1vga s VAL 39 CO 0.12 0.05 -0.19 -0.69 0.00 0.00 0.00 175.10 174.38 1vga s VAL 40 N 1.60 2.58 -0.14 2.92 1.01 -0.34 -0.69 120.40 127.34 1vga s VAL 40 Ca -0.01 -0.87 -0.02 0.00 0.00 0.00 0.00 61.98 61.08 1vga s VAL 40 Cb -0.16 -2.00 -0.02 0.00 0.00 0.00 0.00 36.38 34.20 1vga s VAL 40 CO -0.07 0.56 -0.09 -0.69 0.00 0.00 0.00 175.10 174.81 1vga s VAL 41 N -0.19 3.36 -0.62 2.92 1.01 0.15 0.14 120.40 127.18 1vga s VAL 41 Ca -0.01 -0.55 -0.01 0.00 0.00 0.00 0.00 61.98 61.41 1vga s VAL 41 Cb -0.13 -2.44 0.16 0.00 0.00 0.00 0.00 36.38 33.96 1vga s VAL 41 CO 0.03 0.51 0.42 -0.36 0.00 0.00 0.00 175.10 175.70 1vga s PHE 42 N 0.42 3.37 0.73 5.22 0.08 0.73 -2.04 117.98 126.49 1vga s PHE 42 Ca -0.08 -2.86 -0.07 0.00 0.12 0.00 0.00 56.93 54.05 1vga s PHE 42 Cb -0.15 -3.10 0.08 0.00 -0.57 0.00 0.00 43.02 39.27 1vga s PHE 42 CO 0.04 -0.80 1.05 -1.25 -0.10 0.00 0.00 175.22 174.16 1vga s PRO 43 N -0.23 2.01 0.53 0.24 0.04 -1.25 -2.39 135.00 133.95 1vga s PRO 43 Ca 0.18 -0.31 -0.22 0.00 0.04 0.00 0.00 61.00 60.70 1vga s PRO 43 Cb -0.21 -2.14 -0.05 0.00 0.04 0.00 0.00 34.50 32.14 1vga s PRO 43 CO -0.03 -1.38 1.29 0.08 0.04 0.00 0.00 177.00 177.01 1vga s VAL 44 N -3.31 2.38 0.22 -0.36 1.01 -1.26 -4.41 120.40 114.67 1vga s VAL 44 Ca 0.62 0.28 -0.15 0.00 0.00 0.00 0.00 61.98 62.73 1vga s VAL 44 Cb -0.10 -3.14 0.26 0.00 0.00 0.00 0.00 36.38 33.40 1vga s VAL 44 CO 0.46 -0.01 1.58 0.77 0.00 0.00 0.00 175.10 177.90 1vga h SER 45 N 1.52 -1.03 0.33 3.32 4.64 -1.94 0.33 113.55 120.72 1vga h SER 45 Ca -0.50 0.25 0.00 0.00 -0.47 0.00 0.00 61.79 61.07 1vga h SER 45 Cb 1.29 0.58 0.00 0.00 -0.31 0.00 0.00 62.40 63.96 1vga h SER 45 CO 0.58 -0.29 0.00 1.33 -0.87 0.00 0.00 176.83 177.58 1vga n VAL 46 N -5.49 0.59 0.84 0.95 0.24 -1.26 -1.91 118.33 112.30 1vga n VAL 46 Ca 0.09 0.15 0.09 0.00 -2.04 0.00 0.00 64.34 62.63 1vga n VAL 46 Cb 0.39 -0.89 0.01 0.00 -1.47 0.00 0.00 33.84 31.89 1vga n VAL 46 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 1vga n HIS 47 N -1.31 0.00 0.07 6.34 -0.00 0.11 -4.66 115.22 115.77 1vga n HIS 47 Ca 0.07 0.00 -0.12 0.00 -0.00 0.00 0.00 57.72 57.67 1vga n HIS 47 Cb 0.13 0.00 -0.05 0.00 -0.00 0.00 0.00 29.99 30.07 1vga n HIS 47 CO 0.00 0.00 0.00 -0.92 -0.00 0.00 0.00 176.34 175.42 1vga h TYR 48 N 2.34 -0.32 -0.18 4.41 5.03 -0.83 -0.08 116.97 127.34 1vga h TYR 48 Ca 0.00 0.01 0.02 0.00 2.58 0.00 0.00 58.73 61.34 1vga h TYR 48 Cb 0.67 0.14 -0.02 0.00 1.55 0.00 0.00 36.73 39.06 1vga h TYR 48 CO 0.00 -0.19 0.04 0.22 -1.32 0.00 0.00 178.16 176.91 1vga h ASP 49 N -0.23 0.02 -0.37 -2.11 3.58 -1.83 0.71 116.42 116.19 1vga h ASP 49 Ca 0.03 0.03 0.05 0.00 0.42 0.00 0.00 57.03 57.56 1vga h ASP 49 Cb 0.27 0.03 -0.05 0.00 1.72 0.00 0.00 39.33 41.30 1vga h ASP 49 CO -0.10 0.04 0.08 -0.74 -2.88 0.00 0.00 179.24 175.64 1vga h HIS 50 N 0.12 0.13 -0.53 0.28 2.76 -1.83 -1.64 115.15 114.44 1vga h HIS 50 Ca 0.08 0.02 -0.08 0.00 -2.20 0.00 0.00 60.37 58.20 1vga h HIS 50 Cb 0.07 -0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.01 1vga h HIS 50 CO -0.13 0.02 0.03 1.15 -1.30 0.00 0.00 177.93 177.70 1vga h THR 51 N 0.20 1.26 -0.68 6.26 2.02 -0.65 -2.31 112.91 119.01 1vga h THR 51 Ca 0.18 -1.04 -0.07 0.00 0.77 0.00 0.00 66.41 66.24 1vga h THR 51 Cb 0.20 0.89 -0.03 0.00 -1.74 0.00 0.00 68.15 67.47 1vga h THR 51 CO -0.23 0.37 0.17 -0.09 0.37 0.00 0.00 175.52 176.11 1vga h ARG 52 N 0.79 1.09 -0.06 6.66 9.65 -0.58 -0.88 114.38 131.04 1vga h ARG 52 Ca 0.15 -0.25 -0.17 0.00 -1.10 0.00 0.00 59.98 58.61 1vga h ARG 52 Cb 0.48 -0.15 -0.01 0.00 -1.39 0.00 0.00 29.97 28.91 1vga h ARG 52 CO 0.02 0.96 -0.70 1.57 2.80 0.00 0.00 179.97 184.61 1vga h LYS 53 N 1.03 0.30 -0.02 0.20 2.10 -1.25 -3.30 116.57 115.64 1vga h LYS 53 Ca 0.22 -0.24 -0.23 0.00 -2.00 0.00 0.00 60.65 58.40 1vga h LYS 53 Cb 0.36 0.05 0.00 0.00 -0.90 0.00 0.00 32.23 31.74 1vga h LYS 53 CO 0.00 0.89 -0.92 -0.07 -2.00 0.00 0.00 179.45 177.35 1vga h LEU 54 N 0.21 0.60 -9.83 7.07 3.38 -1.17 -3.45 115.31 112.12 1vga h LEU 54 Ca -0.02 -0.46 -0.49 0.00 0.09 0.00 0.00 57.88 56.99 1vga h LEU 54 Cb 1.26 -0.18 0.01 0.00 0.09 0.00 0.00 40.66 41.83 1vga h LEU 54 CO 0.11 1.26 0.42 -0.76 0.09 0.00 0.00 178.44 179.56 1vga s LEU 55 N -7.84 4.47 0.74 1.67 1.43 -0.36 -4.82 118.68 113.97 1vga s LEU 55 Ca -0.07 2.11 -0.12 0.00 -1.03 0.00 0.00 54.13 55.02 1vga s LEU 55 Cb 0.09 -3.77 0.04 0.00 0.03 0.00 0.00 46.19 42.57 1vga s LEU 55 CO 0.87 -0.14 1.11 -1.10 0.23 0.00 0.00 176.35 177.33 1vga s GLN 56 N -1.66 2.37 0.60 1.70 -0.21 -1.26 -4.90 119.66 116.30 1vga s GLN 56 Ca 0.47 1.31 0.29 0.00 0.02 0.00 0.00 55.36 57.45 1vga s GLN 56 Cb -0.27 -1.90 1.60 0.00 1.00 0.00 0.00 33.01 33.43 1vga s GLN 56 CO 0.35 -1.58 1.99 0.66 -2.12 0.00 0.00 175.29 174.59 1vga h SER 57 N -0.70 0.00 0.22 5.90 4.64 -1.95 -1.34 113.55 120.32 1vga h SER 57 Ca -0.45 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.86 1vga h SER 57 Cb 1.24 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1vga h SER 57 CO 0.52 0.00 -0.05 0.07 -0.87 0.00 0.00 176.83 176.50 1vga h LYS 58 N 0.00 0.00 -6.34 4.77 2.10 -1.96 -3.42 116.57 111.72 1vga h LYS 58 Ca 0.13 0.00 -0.56 0.00 -2.00 0.00 0.00 60.65 58.22 1vga h LYS 58 Cb 0.79 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 32.09 1vga h LYS 58 CO -0.00 0.05 0.04 -0.06 -2.00 0.00 0.00 179.45 177.48 1vga s PHE 59 N -4.29 3.83 0.18 0.07 0.08 -0.51 -4.69 117.98 112.66 1vga s PHE 59 Ca -0.04 1.39 0.04 0.00 0.12 0.00 0.00 56.93 58.44 1vga s PHE 59 Cb 0.13 -2.59 -0.03 0.00 -0.57 0.00 0.00 43.02 39.96 1vga s PHE 59 CO 0.53 0.56 0.29 -1.12 -0.10 0.00 0.00 175.22 175.38 1vga s SER 60 N -1.15 6.23 0.20 1.36 0.01 0.13 -4.92 113.70 115.56 1vga s SER 60 Ca 0.32 0.09 0.02 0.00 1.31 0.00 0.00 55.95 57.69 1vga s SER 60 Cb -0.21 -1.83 -0.05 0.00 0.21 0.00 0.00 66.02 64.15 1vga s SER 60 CO 0.21 0.01 0.03 0.42 0.41 0.00 0.00 173.24 174.32 1vga s THR 61 N -1.84 0.69 0.16 1.44 -4.23 -1.26 -0.67 115.64 109.93 1vga s THR 61 Ca 0.34 -1.99 -0.16 0.00 -1.18 0.00 0.00 61.69 58.69 1vga s THR 61 Cb -0.10 -2.28 0.06 0.00 1.34 0.00 0.00 72.50 71.51 1vga s THR 61 CO 0.28 -0.33 0.80 0.61 -0.54 0.00 0.00 174.62 175.43 1vga n GLY 62 N -0.32 0.78 3.53 3.99 0.00 -0.87 -2.77 105.19 109.53 1vga n GLY 62 Ca -0.05 -1.11 -0.25 0.00 0.00 0.00 0.00 46.02 44.61 1vga n GLY 62 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1vga s ILE 63 N -2.18 2.90 -1.41 -0.61 -4.36 -0.37 -3.90 121.20 111.27 1vga s ILE 63 Ca 0.18 -1.98 0.26 0.00 -0.26 0.00 0.00 60.65 58.84 1vga s ILE 63 Cb -0.02 -2.48 0.44 0.00 1.25 0.00 0.00 42.46 41.65 1vga s ILE 63 CO 0.05 -0.24 1.86 0.00 0.24 0.00 0.00 174.94 176.85 1vga n GLN 64 N -0.29 0.35 -3.52 0.37 6.02 -1.26 -1.33 117.38 117.71 1vga n GLN 64 Ca -0.09 0.04 -0.08 0.00 -0.01 0.00 0.00 57.00 56.87 1vga n GLN 64 Cb 0.57 -1.50 -0.02 0.00 1.02 0.00 0.00 30.24 30.32 1vga n GLN 64 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 1vga s ASN 65 N -2.59 -0.37 0.04 1.08 2.47 -1.24 -4.36 114.94 109.98 1vga s ASN 65 Ca 0.24 -0.05 -0.11 0.00 0.42 0.00 0.00 52.86 53.36 1vga s ASN 65 Cb 0.17 0.42 0.01 0.00 -1.45 0.00 0.00 41.25 40.40 1vga s ASN 65 CO 0.39 -0.70 0.23 0.54 -3.72 0.00 0.00 177.10 173.85 1vga s VAL 66 N -3.22 0.10 0.46 -5.21 0.11 -1.26 -4.81 120.40 106.57 1vga s VAL 66 Ca 0.05 -0.81 -0.20 0.00 -2.93 0.00 0.00 61.98 58.09 1vga s VAL 66 Cb -0.01 -0.91 -0.10 0.00 -1.53 0.00 0.00 36.38 33.83 1vga s VAL 66 CO -0.08 -0.45 0.97 -0.55 -3.33 0.00 0.00 175.10 171.67 1vga s SER 67 N -2.07 6.75 0.00 3.54 0.15 -0.00 -4.95 113.70 117.12 1vga s SER 67 Ca -0.05 1.73 0.25 0.00 0.70 0.00 0.00 55.95 58.57 1vga s SER 67 Cb -0.01 -2.54 0.48 0.00 -1.71 0.00 0.00 66.02 62.24 1vga s SER 67 CO -0.04 -0.49 1.39 2.29 1.20 0.00 0.00 173.24 177.59 1vga n LYS 68 N -0.86 0.31 -3.96 5.44 2.85 -1.26 -4.56 118.16 116.12 1vga n LYS 68 Ca 0.07 -0.19 -0.27 0.00 -1.05 0.00 0.00 58.31 56.87 1vga n LYS 68 Cb 0.54 -1.50 -0.03 0.00 -0.65 0.00 0.00 35.03 33.39 1vga n LYS 68 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 177.40 177.29 1vga s PHE 69 N -2.83 3.44 0.00 5.58 0.08 -1.26 -4.80 117.98 118.19 1vga s PHE 69 Ca 0.15 0.12 0.00 0.00 0.12 0.00 0.00 56.93 57.32 1vga s PHE 69 Cb 0.18 -1.66 0.00 0.00 -0.57 0.00 0.00 43.02 40.97 1vga s PHE 69 CO 0.66 0.52 0.00 0.41 -0.10 0.00 0.00 175.22 176.71 1vga n GLY 70 N -0.41 0.55 3.75 4.36 0.00 -1.26 -4.60 105.19 107.58 1vga n GLY 70 Ca -0.07 -1.67 -0.34 0.00 0.00 0.00 0.00 46.02 43.94 1vga n GLY 70 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1vga s ASN 71 N -1.00 4.96 0.00 1.61 0.02 -1.26 -4.79 114.94 114.48 1vga s ASN 71 Ca 0.00 2.21 0.00 0.00 -1.02 0.00 0.00 52.86 54.05 1vga s ASN 71 Cb 0.00 -2.58 0.00 0.00 0.02 0.00 0.00 41.25 38.69 1vga s ASN 71 CO 0.00 -1.74 0.00 0.61 0.02 0.00 0.00 177.10 175.99 1vga n GLY 72 N 0.05 0.70 2.78 0.66 0.00 -1.26 -4.97 105.19 103.16 1vga n GLY 72 Ca 0.12 -1.71 -0.42 0.00 0.00 0.00 0.00 46.02 44.01 1vga n GLY 72 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1vga n SER 73 N 0.00 4.04 -3.31 1.61 7.64 -1.26 -4.67 113.62 117.67 1vga n SER 73 Ca 0.00 -2.87 -0.25 0.00 1.01 0.00 0.00 58.87 56.76 1vga n SER 73 Cb 0.00 -1.65 -0.08 0.00 -1.01 0.00 0.00 64.21 61.47 1vga n SER 73 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1vga n TYR 74 N 5.98 0.55 -1.60 1.43 4.01 -1.26 -5.11 117.16 121.17 1vga n TYR 74 Ca 0.51 -3.68 -0.50 0.00 -0.16 0.00 0.00 57.90 54.06 1vga n TYR 74 Cb 0.39 -0.31 -0.05 0.00 -0.31 0.00 0.00 39.34 39.06 1vga n TYR 74 CO 0.00 0.00 0.00 2.41 -0.46 0.00 0.00 176.86 178.81 1vga n THR 75 N 1.56 0.29 -0.07 -0.72 -1.04 -1.26 -1.80 114.28 111.24 1vga n THR 75 Ca 0.24 -0.07 0.00 0.00 -2.04 0.00 0.00 64.05 62.18 1vga n THR 75 Cb 0.49 -0.92 0.00 0.00 -1.82 0.00 0.00 70.33 68.08 1vga n THR 75 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1vga n GLY 76 N 2.45 1.65 3.94 3.41 0.00 -1.26 -5.05 105.19 110.33 1vga n GLY 76 Ca 0.17 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.94 1vga n GLY 76 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1vga s GLU 77 N -0.41 3.48 -0.23 1.61 0.41 -0.74 -5.09 118.70 117.72 1vga s GLU 77 Ca 0.00 -0.49 0.00 0.00 -0.41 0.00 0.00 54.97 54.07 1vga s GLU 77 Cb 0.00 -2.83 0.03 0.00 -1.78 0.00 0.00 34.13 29.55 1vga s GLU 77 CO 0.00 0.37 -0.12 0.08 -0.49 0.00 0.00 175.26 175.10 1vga s VAL 78 N -1.98 2.45 0.57 2.63 1.01 -1.26 -5.01 120.40 118.81 1vga s VAL 78 Ca 0.37 -1.15 -0.15 0.00 0.00 0.00 0.00 61.98 61.06 1vga s VAL 78 Cb -0.10 -2.23 -0.05 0.00 0.00 0.00 0.00 36.38 34.00 1vga s VAL 78 CO 0.30 0.25 1.02 -0.94 0.00 0.00 0.00 175.10 175.74 1vga s SER 79 N 1.26 6.19 0.41 3.32 1.04 -1.26 -0.82 113.70 123.83 1vga s SER 79 Ca -0.01 1.63 0.11 0.00 0.48 0.00 0.00 55.95 58.16 1vga s SER 79 Cb -0.16 -2.51 0.88 0.00 0.10 0.00 0.00 66.02 64.33 1vga s SER 79 CO -0.07 -0.89 1.96 0.00 0.98 0.00 0.00 173.24 175.22 1vga h ALA 80 N 0.42 1.61 -0.57 5.32 0.00 -1.81 -1.87 119.26 122.36 1vga h ALA 80 Ca -0.46 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.20 1vga h ALA 80 Cb 1.20 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 1vga h ALA 80 CO 0.60 0.29 0.04 0.93 0.00 0.00 0.00 179.25 181.11 1vga h GLU 81 N 0.18 0.98 -0.59 0.00 3.07 -1.92 -1.30 114.58 114.99 1vga h GLU 81 Ca 0.04 -0.29 -0.07 0.00 -0.50 0.00 0.00 59.36 58.54 1vga h GLU 81 Cb 0.30 -0.10 -0.02 0.00 -0.84 0.00 0.00 28.75 28.08 1vga h GLU 81 CO 0.02 0.96 0.09 0.82 -1.40 0.00 0.00 179.01 179.50 1vga h ILE 82 N 0.88 1.26 -0.79 3.13 2.04 -1.78 -1.90 117.51 120.35 1vga h ILE 82 Ca 0.17 -0.99 -0.04 0.00 1.00 0.00 0.00 64.86 64.99 1vga h ILE 82 Cb 0.49 0.75 -0.04 0.00 -0.74 0.00 0.00 36.82 37.29 1vga h ILE 82 CO 0.02 0.37 0.33 0.00 0.00 0.00 0.00 178.15 178.87 1vga h ALA 83 N 1.01 1.02 -0.74 1.87 0.00 -1.15 -2.61 119.26 118.67 1vga h ALA 83 Ca 0.18 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 1vga h ALA 83 Cb 0.42 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 1vga h ALA 83 CO 0.01 0.64 0.30 -0.22 0.00 0.00 0.00 179.25 179.98 1vga h LYS 84 N 1.14 1.10 0.00 0.00 3.64 -0.96 -1.09 116.57 120.40 1vga h LYS 84 Ca 0.26 -0.20 -0.03 0.00 -1.27 0.00 0.00 60.65 59.42 1vga h LYS 84 Cb 0.19 -0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 31.83 1vga h LYS 84 CO -0.02 0.90 -0.13 0.22 -2.27 0.00 0.00 179.45 178.15 1vga h ASP 85 N 1.06 0.00 0.06 4.20 3.58 -1.08 -1.57 116.42 122.67 1vga h ASP 85 Ca 0.25 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.70 1vga h ASP 85 Cb 0.21 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.26 1vga h ASP 85 CO -0.02 0.13 -0.16 0.18 -2.88 0.00 0.00 179.24 176.49 1vga n LEU 86 N -3.63 1.71 -2.46 2.28 4.77 -0.89 -4.95 117.00 113.84 1vga n LEU 86 Ca -0.02 -0.56 -0.19 0.00 -0.03 0.00 0.00 56.01 55.22 1vga n LEU 86 Cb 0.25 -0.04 0.02 0.00 -2.33 0.00 0.00 43.42 41.33 1vga n LEU 86 CO 0.30 0.30 -0.05 0.59 -1.33 0.00 0.00 177.39 177.20 1vga n ASN 87 N 0.10 -5.40 -4.64 -1.43 5.03 -0.59 -4.93 115.26 103.39 1vga n ASN 87 Ca 0.14 -0.19 -0.43 0.00 0.87 0.00 0.00 54.58 54.97 1vga n ASN 87 Cb 0.42 -4.29 -0.02 0.00 -1.02 0.00 0.00 39.78 34.86 1vga n ASN 87 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1vga s ILE 88 N -3.04 4.25 0.07 2.41 1.01 -0.48 -4.93 121.20 120.50 1vga s ILE 88 Ca 0.20 1.45 -0.16 0.00 0.00 0.00 0.00 60.65 62.14 1vga s ILE 88 Cb -0.09 -4.15 -0.14 0.00 0.01 0.00 0.00 42.46 38.09 1vga s ILE 88 CO 0.24 -0.37 1.31 -0.08 0.00 0.00 0.00 174.94 176.05 1vga h GLU 89 N 8.75 0.63 -6.01 2.79 4.81 -1.88 -3.43 114.58 120.25 1vga h GLU 89 Ca -0.25 -0.44 -0.56 0.00 -0.13 0.00 0.00 59.36 57.98 1vga h GLU 89 Cb 1.09 0.07 -0.14 0.00 0.63 0.00 0.00 28.75 30.40 1vga h GLU 89 CO 1.01 1.06 -0.75 0.71 -0.73 0.00 0.00 179.01 180.31 1vga s TYR 90 N -3.93 2.11 -0.02 0.92 2.02 -1.12 -1.40 117.35 115.93 1vga s TYR 90 Ca -0.12 -0.41 -0.02 0.00 -0.37 0.00 0.00 57.07 56.15 1vga s TYR 90 Cb 0.07 -0.93 0.01 0.00 -0.40 0.00 0.00 41.96 40.71 1vga s TYR 90 CO 0.84 0.60 0.07 0.14 -1.57 0.00 0.00 175.55 175.63 1vga s VAL 91 N -2.65 0.01 -0.07 0.71 -7.23 -0.60 -1.24 120.40 109.33 1vga s VAL 91 Ca 0.28 -0.06 -0.14 0.00 -1.81 0.00 0.00 61.98 60.25 1vga s VAL 91 Cb -0.04 -0.12 -0.05 0.00 0.56 0.00 0.00 36.38 36.73 1vga s VAL 91 CO 0.12 -0.03 0.35 -0.63 -0.31 0.00 0.00 175.10 174.60 1vga s ILE 92 N -0.07 5.19 -0.03 -0.62 1.01 -0.44 -0.77 121.20 125.46 1vga s ILE 92 Ca -0.01 0.69 0.04 0.00 0.00 0.00 0.00 60.65 61.37 1vga s ILE 92 Cb -0.01 -3.66 -0.00 0.00 0.01 0.00 0.00 42.46 38.80 1vga s ILE 92 CO 0.00 0.51 -0.14 -0.63 0.00 0.00 0.00 174.94 174.68 1vga s ILE 93 N -0.47 1.14 -0.84 2.92 -1.09 -0.13 -3.64 121.20 119.09 1vga s ILE 93 Ca 0.21 -0.56 0.00 0.00 -2.23 0.00 0.00 60.65 58.07 1vga s ILE 93 Cb -0.15 -0.99 0.00 0.00 -1.58 0.00 0.00 42.46 39.74 1vga s ILE 93 CO 0.09 0.34 0.00 0.61 -1.23 0.00 0.00 174.94 174.75 1vga n GLY 94 N 3.16 0.86 3.67 6.18 0.00 -1.26 -0.43 105.19 117.37 1vga n GLY 94 Ca -0.18 -0.65 -0.41 0.00 0.00 0.00 0.00 46.02 44.77 1vga n GLY 94 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1vga n HIS 95 N -2.95 1.79 0.24 1.61 -0.00 -1.26 -4.38 115.22 110.27 1vga n HIS 95 Ca -0.08 0.53 0.17 0.00 0.46 0.00 0.00 57.72 58.80 1vga n HIS 95 Cb 0.31 -2.33 0.87 0.00 -0.12 0.00 0.00 29.99 28.73 1vga n HIS 95 CO 0.00 0.00 0.00 0.27 0.46 0.00 0.00 176.34 177.07 1vga h PHE 96 N 1.93 0.00 0.00 1.57 -0.00 -1.94 -0.65 116.94 117.86 1vga h PHE 96 Ca -0.46 0.00 -0.11 0.00 -0.00 0.00 0.00 57.97 57.40 1vga h PHE 96 Cb 1.31 0.00 -0.02 0.00 -0.00 0.00 0.00 35.95 37.24 1vga h PHE 96 CO 0.47 0.00 -0.53 0.93 -0.00 0.00 0.00 178.31 179.18 1vga h GLU 97 N 0.00 0.00 0.04 6.09 5.08 -1.98 0.22 114.58 124.02 1vga h GLU 97 Ca 0.06 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.18 1vga h GLU 97 Cb 0.40 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 1vga h GLU 97 CO -0.00 0.53 -1.15 0.00 -1.00 0.00 0.00 179.01 177.39 1vga h ARG 98 N 0.00 0.09 -0.26 2.33 3.08 -1.46 -0.30 114.38 117.85 1vga h ARG 98 Ca -0.01 -0.15 -0.13 0.00 0.07 0.00 0.00 59.98 59.77 1vga h ARG 98 Cb 0.94 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 31.03 1vga h ARG 98 CO 0.07 1.03 -0.38 0.00 -1.07 0.00 0.00 179.97 179.62 1vga h ARG 99 N 0.02 0.59 0.08 0.04 3.08 -1.16 -1.48 114.38 115.55 1vga h ARG 99 Ca -0.08 -0.29 -0.00 0.00 0.07 0.00 0.00 59.98 59.68 1vga h ARG 99 Cb 1.86 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.91 1vga h ARG 99 CO 0.15 0.88 -0.04 -0.22 -1.07 0.00 0.00 179.97 179.67 1vga h LYS 100 N 0.49 -0.10 0.00 0.04 3.64 -0.53 -3.28 116.57 116.83 1vga h LYS 100 Ca 0.05 0.01 -0.15 0.00 -1.27 0.00 0.00 60.65 59.28 1vga h LYS 100 Cb 0.88 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.70 1vga h LYS 100 CO 0.08 0.39 -1.24 1.88 -2.27 0.00 0.00 179.45 178.28 1vga h TYR 101 N -0.94 0.00 -0.07 1.91 0.05 -1.17 -3.39 116.97 113.37 1vga h TYR 101 Ca -0.01 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.74 1vga h TYR 101 Cb 0.54 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.26 1vga h TYR 101 CO 0.12 0.55 -0.34 1.19 -1.05 0.00 0.00 178.16 178.63 1vga n PHE 102 N -2.94 0.20 -2.76 4.88 3.72 -0.60 -4.99 117.46 114.98 1vga n PHE 102 Ca -0.07 -1.42 -0.14 0.00 -0.05 0.00 0.00 57.45 55.76 1vga n PHE 102 Cb 0.81 -0.28 -0.00 0.00 -0.94 0.00 0.00 39.48 39.07 1vga n PHE 102 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 1vga n HIS 103 N -1.15 -1.62 -2.21 1.38 8.25 -1.18 -4.89 115.22 113.80 1vga n HIS 103 Ca 0.21 0.16 -0.42 0.00 -0.26 0.00 0.00 57.72 57.41 1vga n HIS 103 Cb 0.74 -2.57 -0.03 0.00 1.12 0.00 0.00 29.99 29.26 1vga n HIS 103 CO 0.00 0.00 0.00 -2.00 0.64 0.00 0.00 176.34 174.98 1vga s GLU 104 N -5.36 4.34 0.44 -0.41 2.12 -0.95 -4.98 118.70 113.90 1vga s GLU 104 Ca 0.14 2.03 0.07 0.00 0.36 0.00 0.00 54.97 57.56 1vga s GLU 104 Cb -0.07 -3.26 -0.01 0.00 0.26 0.00 0.00 34.13 31.04 1vga s GLU 104 CO 0.17 -0.40 0.34 0.95 -0.54 0.00 0.00 175.26 175.78 1vga s THR 105 N 1.06 2.36 0.31 -1.70 -4.23 -1.26 -4.46 115.64 107.72 1vga s THR 105 Ca 0.63 -1.45 0.00 0.00 -1.18 0.00 0.00 61.69 59.69 1vga s THR 105 Cb -0.36 -2.81 0.19 0.00 1.34 0.00 0.00 72.50 70.87 1vga s THR 105 CO 0.30 0.00 1.89 0.44 -0.54 0.00 0.00 174.62 176.71 1vga h ASP 106 N 1.05 0.75 -0.30 3.99 3.32 -1.97 -0.66 116.42 122.60 1vga h ASP 106 Ca -0.41 -0.09 -0.11 0.00 0.02 0.00 0.00 57.03 56.44 1vga h ASP 106 Cb 1.27 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 40.61 1vga h ASP 106 CO 0.60 0.67 -0.18 -0.08 -1.72 0.00 0.00 179.24 178.53 1vga h GLU 107 N 0.81 0.77 -0.63 3.56 4.57 -1.95 -0.57 114.58 121.14 1vga h GLU 107 Ca 0.19 -0.29 -0.01 0.00 -1.18 0.00 0.00 59.36 58.07 1vga h GLU 107 Cb 0.16 -0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 28.67 1vga h GLU 107 CO -0.02 0.89 0.35 -0.44 -1.18 0.00 0.00 179.01 178.61 1vga h ASP 108 N 0.68 0.78 -0.56 1.04 3.32 -1.70 -0.86 116.42 119.12 1vga h ASP 108 Ca 0.10 -0.09 -0.01 0.00 0.02 0.00 0.00 57.03 57.05 1vga h ASP 108 Cb 0.68 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 40.01 1vga h ASP 108 CO 0.05 0.65 0.31 0.58 -1.72 0.00 0.00 179.24 179.11 1vga h VAL 109 N 0.86 1.18 -0.27 -1.35 2.07 -0.70 0.42 116.25 118.47 1vga h VAL 109 Ca 0.22 -0.45 0.00 0.00 0.82 0.00 0.00 66.70 67.29 1vga h VAL 109 Cb 0.04 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 30.26 1vga h VAL 109 CO -0.04 0.20 0.18 -0.09 0.02 0.00 0.00 177.57 177.84 1vga h ARG 110 N 0.75 0.35 -0.47 1.57 2.43 -0.66 -0.67 114.38 117.68 1vga h ARG 110 Ca 0.20 -0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.29 1vga h ARG 110 Cb 0.04 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.48 1vga h ARG 110 CO -0.03 0.23 0.08 0.93 -1.51 0.00 0.00 179.97 179.67 1vga h GLU 111 N 0.36 0.72 -0.21 0.20 5.08 -0.85 -0.74 114.58 119.15 1vga h GLU 111 Ca 0.10 -0.15 -0.15 0.00 -1.00 0.00 0.00 59.36 58.16 1vga h GLU 111 Cb -0.04 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.09 1vga h GLU 111 CO -0.02 0.68 -0.49 0.87 -1.00 0.00 0.00 179.01 179.05 1vga h LYS 112 N 0.69 0.55 -0.38 2.33 1.57 -0.55 -1.75 116.57 119.03 1vga h LYS 112 Ca 0.15 -0.32 -0.10 0.00 -1.87 0.00 0.00 60.65 58.51 1vga h LYS 112 Cb 0.31 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.64 1vga h LYS 112 CO 0.00 0.92 -0.16 1.25 -0.57 0.00 0.00 179.45 180.89 1vga h LEU 113 N 0.44 0.80 -0.11 2.94 5.85 -0.72 -0.82 115.31 123.69 1vga h LEU 113 Ca 0.02 -0.39 0.02 0.00 0.84 0.00 0.00 57.88 58.37 1vga h LEU 113 Cb 1.01 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.80 1vga h LEU 113 CO 0.09 1.02 -0.04 -0.61 -0.34 0.00 0.00 178.44 178.56 1vga h GLN 114 N 0.59 -0.02 -0.69 1.25 4.15 -1.03 0.30 115.11 119.67 1vga h GLN 114 Ca 0.09 0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.48 1vga h GLN 114 Cb 0.70 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.36 1vga h GLN 114 CO 0.05 -0.01 0.29 0.00 -1.93 0.00 0.00 178.83 177.23 1vga h ALA 115 N 1.09 1.22 0.07 3.38 0.00 -1.25 -1.02 119.26 122.76 1vga h ALA 115 Ca 0.06 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1vga h ALA 115 Cb 0.11 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.62 1vga h ALA 115 CO -0.13 0.58 -0.03 0.77 0.00 0.00 0.00 179.25 180.44 1vga h SER 116 N 0.98 -0.08 -0.60 0.00 0.02 -0.59 -2.82 113.55 110.46 1vga h SER 116 Ca 0.23 -0.26 -0.03 0.00 -0.84 0.00 0.00 61.79 60.90 1vga h SER 116 Cb 0.16 0.02 -0.03 0.00 0.14 0.00 0.00 62.40 62.69 1vga h SER 116 CO -0.02 0.22 0.28 -0.07 -1.14 0.00 0.00 176.83 176.10 1vga h LEU 117 N -0.39 0.81 -2.10 5.07 4.07 -0.86 -0.41 115.31 121.51 1vga h LEU 117 Ca -0.01 -0.09 -0.01 0.00 0.08 0.00 0.00 57.88 57.85 1vga h LEU 117 Cb 0.34 -0.21 -0.00 0.00 1.08 0.00 0.00 40.66 41.87 1vga h LEU 117 CO 0.02 0.71 -0.05 0.50 -1.08 0.00 0.00 178.44 178.53 1vga h LYS 118 N 0.89 0.00 -0.54 1.13 3.64 -1.14 -2.27 116.57 118.29 1vga h LYS 118 Ca 0.22 0.00 -0.21 0.00 -1.27 0.00 0.00 60.65 59.39 1vga h LYS 118 Cb 0.13 0.00 -0.12 0.00 -0.41 0.00 0.00 32.23 31.82 1vga h LYS 118 CO -0.03 0.05 0.15 0.09 -2.27 0.00 0.00 179.45 177.45 1vga n ASN 119 N -4.09 3.60 -2.73 4.20 3.02 -0.53 -4.96 115.26 113.77 1vga n ASN 119 Ca -0.03 -3.44 -0.20 0.00 -0.03 0.00 0.00 54.58 50.88 1vga n ASN 119 Cb 0.14 -0.68 0.01 0.00 -0.61 0.00 0.00 39.78 38.64 1vga n ASN 119 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1vga n ASN 120 N -0.75 -5.33 -4.91 6.41 4.13 -0.85 -4.72 115.26 109.24 1vga n ASN 120 Ca 0.37 -0.11 -0.30 0.00 1.68 0.00 0.00 54.58 56.22 1vga n ASN 120 Cb 1.20 -4.40 -0.04 0.00 -1.54 0.00 0.00 39.78 35.00 1vga n ASN 120 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1vga s LEU 121 N -6.23 4.23 -0.05 3.41 1.43 -0.28 -5.01 118.68 116.18 1vga s LEU 121 Ca 0.15 0.55 -0.08 0.00 -1.03 0.00 0.00 54.13 53.72 1vga s LEU 121 Cb -0.07 -3.30 -0.05 0.00 0.03 0.00 0.00 46.19 42.81 1vga s LEU 121 CO 0.18 -0.00 0.23 -0.54 0.23 0.00 0.00 176.35 176.46 1vga s LYS 122 N -2.93 3.57 -0.03 1.70 1.02 -0.49 -4.32 119.74 118.26 1vga s LYS 122 Ca 0.41 -0.02 0.06 0.00 0.02 0.00 0.00 55.97 56.44 1vga s LYS 122 Cb -0.12 -3.16 -0.01 0.00 -0.52 0.00 0.00 37.83 34.02 1vga s LYS 122 CO 0.26 0.72 -0.22 0.00 -0.92 0.00 0.00 175.35 175.19 1vga s ALA 123 N -1.14 1.87 -0.53 5.17 0.00 -0.33 -1.56 121.76 125.25 1vga s ALA 123 Ca 0.21 -0.94 -0.09 0.00 0.00 0.00 0.00 51.96 51.15 1vga s ALA 123 Cb -0.13 -0.52 0.14 0.00 0.00 0.00 0.00 23.12 22.60 1vga s ALA 123 CO 0.10 0.42 0.40 0.08 0.00 0.00 0.00 175.76 176.76 1vga s VAL 124 N -0.36 4.25 -0.24 0.00 1.01 0.05 -0.29 120.40 124.81 1vga s VAL 124 Ca 0.04 -2.04 -0.15 0.00 0.00 0.00 0.00 61.98 59.83 1vga s VAL 124 Cb -0.10 -3.78 -0.04 0.00 0.00 0.00 0.00 36.38 32.46 1vga s VAL 124 CO 0.01 -0.81 0.39 -0.69 0.00 0.00 0.00 175.10 173.99 1vga s VAL 125 N 1.03 5.18 0.07 2.92 1.01 0.07 -0.96 120.40 129.72 1vga s VAL 125 Ca 0.09 0.64 0.02 0.00 0.00 0.00 0.00 61.98 62.73 1vga s VAL 125 Cb -0.24 -3.72 -0.04 0.00 0.00 0.00 0.00 36.38 32.39 1vga s VAL 125 CO -0.02 0.19 0.12 0.00 0.00 0.00 0.00 175.10 175.39 1vga s PHE 127 N -1.43 0.12 0.00 0.00 -0.12 -0.71 -4.57 117.98 111.27 1vga s PHE 127 Ca 0.31 -0.74 0.00 0.00 -0.05 0.00 0.00 56.93 56.45 1vga s PHE 127 Cb -0.12 0.82 0.00 0.00 -0.63 0.00 0.00 43.02 43.08 1vga s PHE 127 CO 0.24 -1.45 0.00 0.41 -0.05 0.00 0.00 175.22 174.37 1vga n GLY 128 N -0.57 3.96 3.87 1.99 0.00 -1.26 -0.66 105.19 112.53 1vga n GLY 128 Ca -0.07 -0.79 -0.31 0.00 0.00 0.00 0.00 46.02 44.85 1vga n GLY 128 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1vga s GLU 129 N -2.69 3.81 0.56 1.61 1.03 -1.26 -4.87 118.70 116.89 1vga s GLU 129 Ca 0.00 0.54 -0.07 0.00 0.03 0.00 0.00 54.97 55.47 1vga s GLU 129 Cb 0.00 -2.35 -0.02 0.00 -0.80 0.00 0.00 34.13 30.96 1vga s GLU 129 CO 0.00 -0.07 0.90 -1.54 -1.33 0.00 0.00 175.26 173.22 1vga s SER 130 N -3.13 5.97 0.21 0.83 1.04 -1.26 -3.36 113.70 114.00 1vga s SER 130 Ca 0.52 0.97 -0.11 0.00 0.48 0.00 0.00 55.95 57.82 1vga s SER 130 Cb -0.10 -2.09 0.28 0.00 0.10 0.00 0.00 66.02 64.21 1vga s SER 130 CO 0.31 -0.85 1.68 0.25 0.98 0.00 0.00 173.24 175.61 1vga h LEU 131 N -0.08 -0.17 -0.63 2.42 5.85 -1.91 0.66 115.31 121.45 1vga h LEU 131 Ca -0.46 0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.40 1vga h LEU 131 Cb 1.22 0.22 -0.03 0.00 0.37 0.00 0.00 40.66 42.44 1vga h LEU 131 CO 0.62 -0.07 0.39 -0.08 -0.34 0.00 0.00 178.44 178.96 1vga h GLU 132 N 0.16 0.84 -0.43 1.25 4.81 -1.98 -0.79 114.58 118.43 1vga h GLU 132 Ca 0.31 -0.06 -0.07 0.00 -0.13 0.00 0.00 59.36 59.41 1vga h GLU 132 Cb 0.49 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.67 1vga h GLU 132 CO -0.47 0.58 -0.00 1.96 -0.73 0.00 0.00 179.01 180.34 1vga h GLN 133 N 0.85 0.71 -0.11 1.92 4.20 -1.57 -2.20 115.11 118.91 1vga h GLN 133 Ca 0.23 -0.18 -0.03 0.00 0.06 0.00 0.00 58.65 58.73 1vga h GLN 133 Cb -0.06 -0.09 -0.00 0.00 0.30 0.00 0.00 27.48 27.63 1vga h GLN 133 CO -0.05 0.72 -0.04 -0.09 -0.67 0.00 0.00 178.83 178.70 1vga h ARG 134 N 0.67 0.22 0.00 1.46 2.43 -0.38 -0.46 114.38 118.31 1vga h ARG 134 Ca 0.13 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 1vga h ARG 134 Cb 0.42 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.96 1vga h ARG 134 CO 0.02 0.56 0.00 -0.85 -1.51 0.00 0.00 179.97 178.18 1vga n GLU 135 N -4.73 0.16 -0.29 0.20 0.28 -0.35 -0.38 120.64 115.53 1vga n GLU 135 Ca -0.06 0.45 0.09 0.00 -0.16 0.00 0.00 57.16 57.48 1vga n GLU 135 Cb 0.27 -1.85 0.25 0.00 1.43 0.00 0.00 31.44 31.54 1vga n GLU 135 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 1vga n GLN 136 N -2.16 2.33 -3.72 3.44 6.02 -0.84 -4.94 117.38 117.51 1vga n GLN 136 Ca 0.01 -2.06 -0.24 0.00 -0.01 0.00 0.00 57.00 54.71 1vga n GLN 136 Cb 0.18 -1.45 0.04 0.00 1.02 0.00 0.00 30.24 30.04 1vga n GLN 136 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1vga n ASN 137 N 1.18 -2.75 -0.06 1.08 3.02 0.48 -4.90 115.26 113.31 1vga n ASN 137 Ca 0.19 -0.76 0.06 0.00 -0.03 0.00 0.00 54.58 54.04 1vga n ASN 137 Cb 0.49 -4.21 0.08 0.00 -0.61 0.00 0.00 39.78 35.53 1vga n ASN 137 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1vga n LYS 138 N -4.44 1.75 -0.10 3.52 5.02 -0.20 -4.82 118.16 118.90 1vga n LYS 138 Ca -0.18 -2.10 -0.06 0.00 -2.02 0.00 0.00 58.31 53.95 1vga n LYS 138 Cb 0.62 -1.27 0.00 0.00 -0.02 0.00 0.00 35.03 34.37 1vga n LYS 138 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 1vga h THR 139 N 0.39 0.46 -0.63 -0.18 2.02 -1.84 -0.11 112.91 113.02 1vga h THR 139 Ca 0.00 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.11 1vga h THR 139 Cb 0.85 0.46 -0.03 0.00 -1.74 0.00 0.00 68.15 67.70 1vga h THR 139 CO 0.00 0.00 0.12 0.40 0.37 0.00 0.00 175.52 176.41 1vga h ILE 140 N -0.13 1.26 -0.19 3.11 1.08 -1.95 -0.70 117.51 119.99 1vga h ILE 140 Ca 0.18 -0.99 0.01 0.00 -0.39 0.00 0.00 64.86 63.66 1vga h ILE 140 Cb 0.40 0.68 -0.02 0.00 -3.07 0.00 0.00 36.82 34.81 1vga h ILE 140 CO -0.43 0.37 0.09 -0.08 -0.69 0.00 0.00 178.15 177.41 1vga h GLU 141 N 0.96 0.18 0.35 2.37 4.81 -1.77 -1.10 114.58 120.38 1vga h GLU 141 Ca 0.19 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.40 1vga h GLU 141 Cb 0.41 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.76 1vga h GLU 141 CO 0.01 0.12 -0.17 0.28 -0.73 0.00 0.00 179.01 178.52 1vga h VAL 142 N 0.19 0.66 -0.97 0.32 2.07 -0.89 -2.60 116.25 115.02 1vga h VAL 142 Ca 0.08 -0.35 0.09 0.00 0.82 0.00 0.00 66.70 67.33 1vga h VAL 142 Cb 0.02 0.84 -0.07 0.00 -1.52 0.00 0.00 31.29 30.56 1vga h VAL 142 CO -0.06 0.07 0.61 0.40 0.02 0.00 0.00 177.57 178.61 1vga h ILE 143 N -0.67 1.01 -0.49 4.57 1.08 -1.10 0.36 117.51 122.28 1vga h ILE 143 Ca -0.05 -0.36 -0.02 0.00 -0.39 0.00 0.00 64.86 64.04 1vga h ILE 143 Cb 0.48 -0.14 -0.02 0.00 -3.07 0.00 0.00 36.82 34.06 1vga h ILE 143 CO 0.08 0.19 0.22 0.74 -0.69 0.00 0.00 178.15 178.70 1vga h THR 144 N 1.06 1.20 -0.49 -0.27 2.02 -1.18 -0.06 112.91 115.18 1vga h THR 144 Ca 0.44 -0.57 -0.11 0.00 0.77 0.00 0.00 66.41 66.95 1vga h THR 144 Cb 0.29 0.67 -0.02 0.00 -1.74 0.00 0.00 68.15 67.36 1vga h THR 144 CO -0.21 0.22 -0.11 0.50 0.37 0.00 0.00 175.52 176.29 1vga h LYS 145 N 0.64 0.95 -0.62 6.66 3.64 -0.95 0.24 116.57 127.12 1vga h LYS 145 Ca 0.17 -0.36 -0.07 0.00 -1.27 0.00 0.00 60.65 59.11 1vga h LYS 145 Cb 0.14 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.88 1vga h LYS 145 CO -0.02 1.02 0.10 1.96 -2.27 0.00 0.00 179.45 180.25 1vga h GLN 146 N 0.80 1.03 -0.13 1.90 4.20 -0.72 -2.39 115.11 119.80 1vga h GLN 146 Ca 0.13 -0.28 -0.08 0.00 0.06 0.00 0.00 58.65 58.48 1vga h GLN 146 Cb 0.67 -0.12 -0.00 0.00 0.30 0.00 0.00 27.48 28.33 1vga h GLN 146 CO 0.05 0.96 -0.21 0.28 -0.67 0.00 0.00 178.83 179.23 1vga h VAL 147 N 0.94 1.37 0.00 -0.54 2.07 -0.93 -3.04 116.25 116.11 1vga h VAL 147 Ca 0.19 -1.45 0.00 0.00 0.82 0.00 0.00 66.70 66.26 1vga h VAL 147 Cb 0.43 1.99 0.00 0.00 -1.52 0.00 0.00 31.29 32.19 1vga h VAL 147 CO 0.01 0.43 0.00 0.29 0.02 0.00 0.00 177.57 178.32 1vga n LYS 148 N -4.49 0.01 0.25 1.57 5.02 0.06 -1.20 118.16 119.38 1vga n LYS 148 Ca -0.07 0.37 0.13 0.00 -2.02 0.00 0.00 58.31 56.73 1vga n LYS 148 Cb 0.42 -1.52 0.56 0.00 -0.02 0.00 0.00 35.03 34.47 1vga n LYS 148 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1vga h ALA 149 N 2.27 1.02 0.00 7.82 0.00 -1.31 -3.39 119.26 125.68 1vga h ALA 149 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1vga h ALA 149 Cb 0.14 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1vga h ALA 149 CO 0.00 0.15 0.00 1.97 0.00 0.00 0.00 179.25 181.37 1vga n PHE 150 N -3.26 0.00 -0.21 0.00 1.16 -0.83 -4.56 117.46 109.75 1vga n PHE 150 Ca 0.00 0.00 0.21 0.00 -1.87 0.00 0.00 57.45 55.80 1vga n PHE 150 Cb 0.37 0.00 0.57 0.00 -1.61 0.00 0.00 39.48 38.81 1vga n PHE 150 CO 0.00 0.00 0.00 -0.24 -1.87 0.00 0.00 176.76 174.65 1vga h VAL 151 N 0.00 0.65 0.00 1.97 3.04 -1.35 -0.88 116.25 119.68 1vga h VAL 151 Ca 0.00 -0.10 0.00 0.00 -1.01 0.00 0.00 66.70 65.59 1vga h VAL 151 Cb 0.00 0.34 0.00 0.00 -2.01 0.00 0.00 31.29 29.62 1vga h VAL 151 CO 0.00 0.05 0.00 -0.90 -1.01 0.00 0.00 177.57 175.71 1vga n ASP 152 N -4.45 0.49 0.16 3.17 5.75 -1.26 -2.44 116.55 117.97 1vga n ASP 152 Ca 0.18 0.66 0.12 0.00 -0.01 0.00 0.00 54.79 55.75 1vga n ASP 152 Cb 0.75 -0.75 0.22 0.00 -1.03 0.00 0.00 41.12 40.31 1vga n ASP 152 CO 0.00 0.00 0.00 -0.07 -0.11 0.00 0.00 177.20 177.02 1vga h LEU 153 N 0.00 0.00 -9.37 -2.12 3.38 -1.55 -3.46 115.31 102.19 1vga h LEU 153 Ca 0.00 -0.02 -0.53 0.00 0.09 0.00 0.00 57.88 57.42 1vga h LEU 153 Cb 0.21 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.98 1vga h LEU 153 CO 0.00 0.01 1.14 -0.63 0.09 0.00 0.00 178.44 179.05 1vga s ILE 154 N -3.19 3.09 -0.52 1.22 1.01 -1.02 -4.86 121.20 116.92 1vga s ILE 154 Ca 0.07 0.27 0.14 0.00 0.00 0.00 0.00 60.65 61.13 1vga s ILE 154 Cb 0.08 -3.17 -0.16 0.00 0.01 0.00 0.00 42.46 39.22 1vga s ILE 154 CO 0.67 -0.02 0.52 -0.90 0.00 0.00 0.00 174.94 175.21 1vga n ASP 155 N 6.84 0.86 -3.56 3.58 5.68 -1.26 -4.88 116.55 123.80 1vga n ASP 155 Ca 0.18 -0.67 -0.12 0.00 -0.50 0.00 0.00 54.79 53.69 1vga n ASP 155 Cb 0.41 1.12 -0.11 0.00 -1.14 0.00 0.00 41.12 41.40 1vga n ASP 155 CO 0.00 0.00 0.00 0.21 -1.33 0.00 0.00 177.20 176.08 1vga s ASN 156 N -2.52 0.32 0.00 -1.12 3.84 -1.26 -5.04 114.94 109.16 1vga s ASN 156 Ca 0.03 0.48 0.00 0.00 0.21 0.00 0.00 52.86 53.59 1vga s ASN 156 Cb 0.10 0.92 0.00 0.00 -0.55 0.00 0.00 41.25 41.72 1vga s ASN 156 CO 0.56 -0.27 0.71 0.49 -2.79 0.00 0.00 177.10 175.81 1vga n PHE 157 N 5.36 0.00 -0.01 0.43 3.01 -1.26 -2.06 117.46 122.92 1vga n PHE 157 Ca -0.06 0.00 0.06 0.00 1.01 0.00 0.00 57.45 58.46 1vga n PHE 157 Cb 0.50 -0.05 -0.11 0.00 -0.01 0.00 0.00 39.48 39.80 1vga n PHE 157 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 1vga n ASP 158 N -0.23 1.64 -0.18 4.37 8.00 -1.26 -3.85 116.55 125.04 1vga n ASP 158 Ca 0.00 0.00 0.11 0.00 0.71 0.00 0.00 54.79 55.61 1vga n ASP 158 Cb 0.13 1.58 0.12 0.00 -0.02 0.00 0.00 41.12 42.93 1vga n ASP 158 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1vga n ASN 159 N -2.07 1.13 -4.08 -2.24 5.03 -0.88 -4.80 115.26 107.35 1vga n ASN 159 Ca -0.05 -0.91 -0.30 0.00 0.87 0.00 0.00 54.58 54.19 1vga n ASN 159 Cb 0.45 0.47 -0.17 0.00 -1.02 0.00 0.00 39.78 39.51 1vga n ASN 159 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 1vga s VAL 160 N -2.75 1.71 -0.12 2.41 1.01 -1.23 -1.18 120.40 120.24 1vga s VAL 160 Ca 0.15 -0.75 0.01 0.00 0.00 0.00 0.00 61.98 61.39 1vga s VAL 160 Cb 0.18 -1.55 -0.01 0.00 0.00 0.00 0.00 36.38 34.99 1vga s VAL 160 CO 0.67 0.48 -0.16 -0.63 0.00 0.00 0.00 175.10 175.46 1vga s ILE 161 N 1.07 2.78 0.14 2.22 1.09 0.60 -4.47 121.20 124.64 1vga s ILE 161 Ca -0.03 -0.76 -0.10 0.00 -1.10 0.00 0.00 60.65 58.66 1vga s ILE 161 Cb -0.14 -2.14 -0.06 0.00 -1.06 0.00 0.00 42.46 39.05 1vga s ILE 161 CO -0.05 0.53 0.47 -0.76 -0.10 0.00 0.00 174.94 175.04 1vga s LEU 162 N 0.34 4.28 -0.10 2.97 1.43 0.09 -0.75 118.68 126.94 1vga s LEU 162 Ca -0.13 0.85 -0.01 0.00 -1.03 0.00 0.00 54.13 53.81 1vga s LEU 162 Cb -0.16 -3.29 0.03 0.00 0.03 0.00 0.00 46.19 42.79 1vga s LEU 162 CO 0.07 0.07 -0.03 -0.69 0.23 0.00 0.00 176.35 175.99 1vga s VAL 163 N -1.57 0.71 -0.27 -1.59 1.01 0.04 0.71 120.40 119.44 1vga s VAL 163 Ca 0.39 -0.13 -0.17 0.00 0.00 0.00 0.00 61.98 62.07 1vga s VAL 163 Cb -0.13 -0.82 -0.03 0.00 0.00 0.00 0.00 36.38 35.40 1vga s VAL 163 CO 0.20 0.28 0.48 -0.47 0.00 0.00 0.00 175.10 175.59 1vga s TYR 164 N 1.83 3.26 -0.39 5.22 5.04 -0.46 -1.74 117.35 130.12 1vga s TYR 164 Ca 0.04 0.56 -0.05 0.00 -2.44 0.00 0.00 57.07 55.19 1vga s TYR 164 Cb -0.13 -2.70 0.08 0.00 0.35 0.00 0.00 41.96 39.57 1vga s TYR 164 CO -0.07 -0.28 0.17 -1.21 -1.34 0.00 0.00 175.55 172.82 1vga s GLU 165 N 2.26 2.30 -1.08 4.97 2.02 0.17 0.38 118.70 129.71 1vga s GLU 165 Ca 0.20 -1.56 -0.22 0.00 0.02 0.00 0.00 54.97 53.40 1vga s GLU 165 Cb -0.16 -3.55 0.00 0.00 0.10 0.00 0.00 34.13 30.52 1vga s GLU 165 CO 0.10 -0.92 1.74 -1.25 0.02 0.00 0.00 175.26 174.94 1vga s PRO 166 N 1.26 3.19 0.42 0.39 0.04 -1.26 -4.30 135.00 134.74 1vga s PRO 166 Ca 0.03 -1.10 0.13 0.00 0.04 0.00 0.00 61.00 60.11 1vga s PRO 166 Cb -0.22 -5.30 1.00 0.00 0.04 0.00 0.00 34.50 30.02 1vga s PRO 166 CO -0.01 -2.88 1.95 -0.07 0.04 0.00 0.00 177.00 176.03 1vga h LEU 167 N 15.06 0.42 -2.23 -3.56 3.38 -1.89 -0.05 115.31 126.45 1vga h LEU 167 Ca 0.23 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.21 1vga h LEU 167 Cb 0.96 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.64 1vga h LEU 167 CO 1.34 0.24 0.00 2.19 0.09 0.00 0.00 178.44 182.30 1vga h PHE 168 N 0.46 0.00 -0.12 1.13 -0.00 -1.85 -2.18 116.94 114.38 1vga h PHE 168 Ca 0.32 0.00 -0.02 0.00 -0.00 0.00 0.00 57.97 58.27 1vga h PHE 168 Cb 0.62 0.00 -0.01 0.00 -0.00 0.00 0.00 35.95 36.56 1vga h PHE 168 CO -0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 178.31 178.25 1vga n ALA 169 N -2.01 2.83 -4.05 12.09 0.00 -0.04 -4.52 120.51 124.81 1vga n ALA 169 Ca -0.02 -2.64 -0.32 0.00 0.00 0.00 0.00 53.44 50.47 1vga n ALA 169 Cb 0.13 -0.52 -0.15 0.00 0.00 0.00 0.00 19.45 18.91 1vga n ALA 169 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1vga s ILE 170 N -2.94 2.17 -1.15 0.00 1.01 -0.82 -4.66 121.20 114.81 1vga s ILE 170 Ca 0.37 -1.84 0.00 0.00 0.00 0.00 0.00 60.65 59.18 1vga s ILE 170 Cb 0.32 -2.38 0.00 0.00 0.01 0.00 0.00 42.46 40.41 1vga s ILE 170 CO 0.04 -0.21 0.00 0.61 0.00 0.00 0.00 174.94 175.38 1vga n GLY 171 N 4.39 0.41 0.08 6.18 0.00 -1.26 -4.88 105.19 110.11 1vga n GLY 171 Ca -0.08 -0.40 0.01 0.00 0.00 0.00 0.00 46.02 45.54 1vga n GLY 171 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1vga n THR 172 N -3.50 0.33 0.00 2.61 -2.24 -1.26 -4.97 114.28 105.24 1vga n THR 172 Ca -0.14 -0.66 0.00 0.00 -2.27 0.00 0.00 64.05 60.98 1vga n THR 172 Cb 0.53 0.86 0.00 0.00 -2.10 0.00 0.00 70.33 69.62 1vga n THR 172 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1vga n GLY 173 N -0.05 2.77 3.82 3.38 0.00 -1.26 -4.99 105.19 108.87 1vga n GLY 173 Ca 0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 1vga n GLY 173 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1vga s LYS 174 N -0.07 2.94 -0.02 1.61 1.02 -1.26 -5.08 119.74 118.88 1vga s LYS 174 Ca 0.00 0.94 0.02 0.00 0.02 0.00 0.00 55.97 56.96 1vga s LYS 174 Cb 0.00 -1.99 0.00 0.00 -0.52 0.00 0.00 37.83 35.32 1vga s LYS 174 CO 0.00 -1.10 -0.08 0.99 -0.92 0.00 0.00 175.35 174.24 1vga s THR 175 N -3.05 0.72 -0.14 2.17 2.01 -1.26 -4.56 115.64 111.53 1vga s THR 175 Ca 0.58 -0.34 -0.15 0.00 0.31 0.00 0.00 61.69 62.09 1vga s THR 175 Cb -0.14 -0.64 -0.05 0.00 0.01 0.00 0.00 72.50 71.69 1vga s THR 175 CO 0.55 0.22 0.36 0.00 -0.69 0.00 0.00 174.62 175.07 1vga s ALA 176 N 0.11 3.56 0.48 7.40 0.00 -1.26 -4.99 121.76 127.06 1vga s ALA 176 Ca -0.02 -0.35 -0.10 0.00 0.00 0.00 0.00 51.96 51.50 1vga s ALA 176 Cb -0.07 -2.48 -0.05 0.00 0.00 0.00 0.00 23.12 20.52 1vga s ALA 176 CO 0.00 0.09 0.84 0.95 0.00 0.00 0.00 175.76 177.64 1vga s THR 177 N 0.42 4.78 0.49 0.00 -4.23 -1.26 -4.92 115.64 110.92 1vga s THR 177 Ca 0.20 0.61 0.21 0.00 -1.18 0.00 0.00 61.69 61.53 1vga s THR 177 Cb -0.14 -3.79 0.37 0.00 1.34 0.00 0.00 72.50 70.28 1vga s THR 177 CO 0.07 -0.74 1.99 -0.65 -0.54 0.00 0.00 174.62 174.74 1vga h PRO 178 N 0.65 0.16 -0.11 3.99 0.11 -1.98 -1.33 132.00 133.49 1vga h PRO 178 Ca -0.47 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.59 1vga h PRO 178 Cb 1.19 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.26 1vga h PRO 178 CO 0.63 0.11 -0.09 1.49 -0.21 0.00 0.00 178.00 179.92 1vga h GLU 179 N 0.16 0.26 -0.80 1.05 4.81 -1.92 -1.31 114.58 116.83 1vga h GLU 179 Ca 0.26 -0.13 -0.01 0.00 -0.13 0.00 0.00 59.36 59.36 1vga h GLU 179 Cb 0.83 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.17 1vga h GLU 179 CO -0.04 0.64 0.47 1.96 -0.73 0.00 0.00 179.01 181.31 1vga h GLN 180 N -0.12 1.09 0.15 1.92 4.20 -1.66 -1.50 115.11 119.19 1vga h GLN 180 Ca 0.02 -0.10 -0.01 0.00 0.06 0.00 0.00 58.65 58.62 1vga h GLN 180 Cb 0.58 -0.23 0.00 0.00 0.30 0.00 0.00 27.48 28.14 1vga h GLN 180 CO 0.02 0.77 -0.07 0.00 -0.67 0.00 0.00 178.83 178.88 1vga h ALA 181 N 1.41 -0.20 -0.81 3.87 0.00 -1.25 -2.95 119.26 119.34 1vga h ALA 181 Ca 0.29 -0.16 0.15 0.00 0.00 0.00 0.00 54.91 55.18 1vga h ALA 181 Cb -0.03 0.08 -0.10 0.00 0.00 0.00 0.00 17.79 17.75 1vga h ALA 181 CO -0.05 -0.47 0.37 0.37 0.00 0.00 0.00 179.25 179.47 1vga h GLN 182 N -0.49 0.51 -0.85 0.00 5.75 -0.91 0.19 115.11 119.31 1vga h GLN 182 Ca -0.02 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.45 1vga h GLN 182 Cb 0.38 -0.12 -0.04 0.00 1.07 0.00 0.00 27.48 28.78 1vga h GLN 182 CO 0.03 0.34 0.54 -0.07 -2.65 0.00 0.00 178.83 177.02 1vga h LEU 183 N 0.53 0.99 -0.32 -2.39 3.38 -1.24 0.42 115.31 116.67 1vga h LEU 183 Ca 0.44 -0.05 -0.12 0.00 0.09 0.00 0.00 57.88 58.24 1vga h LEU 183 Cb 0.66 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 1vga h LEU 183 CO -0.39 0.74 -0.28 0.58 0.09 0.00 0.00 178.44 179.18 1vga h VAL 184 N 1.15 1.29 -0.68 1.22 2.07 -1.04 -2.42 116.25 117.84 1vga h VAL 184 Ca 0.31 -1.44 -0.01 0.00 0.82 0.00 0.00 66.70 66.37 1vga h VAL 184 Cb -0.09 1.49 -0.03 0.00 -1.52 0.00 0.00 31.29 31.14 1vga h VAL 184 CO -0.06 0.47 0.38 0.45 0.02 0.00 0.00 177.57 178.82 1vga h HIS 185 N 0.53 0.93 -0.98 1.57 3.86 -0.64 0.69 115.15 121.12 1vga h HIS 185 Ca 0.06 -0.02 0.01 0.00 -1.16 0.00 0.00 60.37 59.25 1vga h HIS 185 Cb 0.85 -0.30 -0.05 0.00 1.06 0.00 0.00 27.41 28.98 1vga h HIS 185 CO 0.07 0.66 0.64 -0.22 0.86 0.00 0.00 177.93 179.94 1vga h LYS 186 N 0.93 1.30 -0.19 2.45 3.64 -0.86 -0.22 116.57 123.63 1vga h LYS 186 Ca 0.24 -0.09 -0.12 0.00 -1.27 0.00 0.00 60.65 59.42 1vga h LYS 186 Cb 0.04 -0.29 -0.01 0.00 -0.41 0.00 0.00 32.23 31.55 1vga h LYS 186 CO -0.04 0.87 -0.38 1.49 -2.27 0.00 0.00 179.45 179.12 1vga h GLU 187 N 1.34 0.42 -0.25 1.90 4.57 -0.85 -1.73 114.58 119.98 1vga h GLU 187 Ca 0.36 -0.20 -0.03 0.00 -1.18 0.00 0.00 59.36 58.31 1vga h GLU 187 Cb -0.14 -0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.44 1vga h GLU 187 CO -0.08 0.74 0.02 0.82 -1.18 0.00 0.00 179.01 179.34 1vga h ILE 188 N 0.35 1.24 -0.27 2.32 2.04 -0.08 -2.06 117.51 121.05 1vga h ILE 188 Ca 0.04 -0.83 -0.02 0.00 1.00 0.00 0.00 64.86 65.04 1vga h ILE 188 Cb 0.83 1.30 -0.01 0.00 -0.74 0.00 0.00 36.82 38.20 1vga h ILE 188 CO 0.07 0.26 0.07 -0.09 0.00 0.00 0.00 178.15 178.46 1vga h ARG 189 N 0.21 0.39 -0.56 2.37 2.43 -0.85 -1.80 114.38 116.57 1vga h ARG 189 Ca 0.07 -0.05 -0.09 0.00 -0.81 0.00 0.00 59.98 59.10 1vga h ARG 189 Cb 0.37 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.82 1vga h ARG 189 CO 0.01 0.36 0.01 -0.22 -1.51 0.00 0.00 179.97 178.62 1vga h LYS 190 N 0.39 0.97 -0.68 0.20 3.64 -0.98 -0.09 116.57 120.02 1vga h LYS 190 Ca 0.09 -0.29 -0.03 0.00 -1.27 0.00 0.00 60.65 59.16 1vga h LYS 190 Cb 0.15 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 31.84 1vga h LYS 190 CO -0.00 0.95 0.31 0.82 -2.27 0.00 0.00 179.45 179.25 1vga h ILE 191 N 0.89 1.23 -0.54 2.00 2.04 -0.64 0.99 117.51 123.49 1vga h ILE 191 Ca 0.16 -0.69 -0.10 0.00 1.00 0.00 0.00 64.86 65.24 1vga h ILE 191 Cb 0.51 0.43 -0.02 0.00 -0.74 0.00 0.00 36.82 37.00 1vga h ILE 191 CO 0.03 0.28 -0.07 0.58 0.00 0.00 0.00 178.15 178.97 1vga h VAL 192 N 0.95 1.26 -0.29 1.67 2.07 -0.99 -1.00 116.25 119.92 1vga h VAL 192 Ca 0.23 -1.20 -0.02 0.00 0.82 0.00 0.00 66.70 66.53 1vga h VAL 192 Cb 0.15 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 30.83 1vga h VAL 192 CO -0.03 0.43 0.12 0.50 0.02 0.00 0.00 177.57 178.61 1vga h LYS 193 N 0.88 0.43 0.00 1.57 3.64 -0.50 0.69 116.57 123.28 1vga h LYS 193 Ca 0.15 -0.08 -0.06 0.00 -1.27 0.00 0.00 60.65 59.39 1vga h LYS 193 Cb 0.61 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.35 1vga h LYS 193 CO 0.04 0.45 -0.30 -0.44 -2.27 0.00 0.00 179.45 176.93 1vga h ASP 194 N 0.32 0.00 0.00 4.20 3.32 -0.62 -0.88 116.42 122.75 1vga h ASP 194 Ca 0.10 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 56.97 1vga h ASP 194 Cb 0.18 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.70 1vga h ASP 194 CO -0.01 0.30 -2.15 0.35 -1.72 0.00 0.00 179.24 176.01 1vga n THR 195 N -4.07 0.66 0.00 0.35 -2.24 -0.40 -4.73 114.28 103.85 1vga n THR 195 Ca -0.02 -0.65 0.00 0.00 -2.27 0.00 0.00 64.05 61.11 1vga n THR 195 Cb 0.35 -0.22 0.00 0.00 -2.10 0.00 0.00 70.33 68.36 1vga n THR 195 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1vga n GLY 197 N 1.49 3.15 0.28 0.00 0.00 -0.34 -4.69 105.19 105.09 1vga n GLY 197 Ca 0.00 -1.64 0.01 0.00 0.00 0.00 0.00 46.02 44.39 1vga n GLY 197 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1vga h GLU 198 N 0.00 0.69 -0.76 1.61 4.81 -1.87 -0.83 114.58 118.23 1vga h GLU 198 Ca 0.00 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.17 1vga h GLU 198 Cb 0.00 -0.16 -0.04 0.00 0.63 0.00 0.00 28.75 29.19 1vga h GLU 198 CO 0.00 0.46 0.39 0.87 -0.73 0.00 0.00 179.01 180.00 1vga h LYS 199 N 0.71 1.09 -0.39 1.92 6.56 -1.95 -1.02 116.57 123.49 1vga h LYS 199 Ca 0.35 -0.15 -0.11 0.00 -1.06 0.00 0.00 60.65 59.68 1vga h LYS 199 Cb 0.30 -0.20 -0.01 0.00 -0.57 0.00 0.00 32.23 31.74 1vga h LYS 199 CO -0.23 0.83 -0.18 1.96 -2.06 0.00 0.00 179.45 179.77 1vga h GLN 200 N 1.07 0.82 -0.58 3.15 7.50 -1.71 -2.51 115.11 122.85 1vga h GLN 200 Ca 0.27 -0.35 -0.03 0.00 0.50 0.00 0.00 58.65 59.03 1vga h GLN 200 Cb 0.09 -0.03 -0.03 0.00 0.05 0.00 0.00 27.48 27.56 1vga h GLN 200 CO -0.04 0.99 0.24 0.00 -1.50 0.00 0.00 178.83 178.52 1vga h ALA 201 N 0.81 1.34 0.00 3.87 0.00 -0.88 -1.39 119.26 123.01 1vga h ALA 201 Ca 0.09 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1vga h ALA 201 Cb 0.74 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1vga h ALA 201 CO 0.06 0.50 0.00 0.09 0.00 0.00 0.00 179.25 179.90 1vga n ASN 202 N -4.34 0.10 -0.07 0.00 3.02 -0.41 -3.66 115.26 109.90 1vga n ASN 202 Ca 0.05 0.51 -0.13 0.00 -0.03 0.00 0.00 54.58 54.98 1vga n ASN 202 Cb 0.15 -0.54 -0.14 0.00 -0.61 0.00 0.00 39.78 38.65 1vga n ASN 202 CO 0.00 0.00 0.00 1.67 -2.62 0.00 0.00 177.26 176.31 1vga n GLN 203 N -1.59 0.68 -2.20 3.52 7.27 -0.64 -4.72 117.38 119.69 1vga n GLN 203 Ca 0.06 0.14 -0.39 0.00 0.07 0.00 0.00 57.00 56.89 1vga n GLN 203 Cb 0.33 -1.61 -0.02 0.00 2.41 0.00 0.00 30.24 31.36 1vga n GLN 203 CO 0.00 0.00 0.00 -1.50 0.07 0.00 0.00 177.06 175.63 1vga s ILE 204 N -2.53 2.94 -0.02 1.69 2.07 -0.62 -4.82 121.20 119.91 1vga s ILE 204 Ca -0.17 0.83 -0.19 0.00 -1.41 0.00 0.00 60.65 59.71 1vga s ILE 204 Cb 0.07 -3.48 -0.05 0.00 0.13 0.00 0.00 42.46 39.13 1vga s ILE 204 CO 0.76 0.11 0.55 -0.13 -1.91 0.00 0.00 174.94 174.32 1vga s ARG 205 N -2.20 4.27 -0.25 3.50 3.00 -1.26 -5.01 118.95 121.00 1vga s ARG 205 Ca 0.56 0.64 0.02 0.00 0.00 0.00 0.00 55.73 56.95 1vga s ARG 205 Cb -0.34 -3.34 0.06 0.00 0.00 0.00 0.00 34.95 31.33 1vga s ARG 205 CO 0.43 0.38 -0.09 0.42 0.00 0.00 0.00 175.30 176.44 1vga s ILE 206 N -0.19 1.92 0.18 1.52 -1.09 -1.26 -0.73 121.20 121.55 1vga s ILE 206 Ca 0.29 -1.44 -0.05 0.00 -2.23 0.00 0.00 60.65 57.21 1vga s ILE 206 Cb -0.17 -2.07 -0.06 0.00 -1.58 0.00 0.00 42.46 38.57 1vga s ILE 206 CO 0.16 -0.03 0.43 -0.76 -1.23 0.00 0.00 174.94 173.50 1vga s LEU 207 N 1.22 4.23 -0.18 2.97 1.43 0.22 -0.76 118.68 127.81 1vga s LEU 207 Ca -0.07 0.66 -0.21 0.00 -1.03 0.00 0.00 54.13 53.47 1vga s LEU 207 Cb -0.19 -3.40 -0.03 0.00 0.03 0.00 0.00 46.19 42.60 1vga s LEU 207 CO -0.06 -0.00 0.64 -0.47 0.23 0.00 0.00 176.35 176.69 1vga s TYR 208 N -1.74 3.41 -0.44 0.29 5.04 -0.23 -1.35 117.35 122.34 1vga s TYR 208 Ca 0.42 0.98 0.15 0.00 -2.44 0.00 0.00 57.07 56.18 1vga s TYR 208 Cb -0.12 -2.79 0.47 0.00 0.35 0.00 0.00 41.96 39.87 1vga s TYR 208 CO 0.25 -0.12 1.38 0.41 -1.34 0.00 0.00 175.55 176.12 1vga n GLY 209 N 3.66 3.59 0.00 8.97 0.00 0.16 -2.22 105.19 119.35 1vga n GLY 209 Ca -0.01 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.18 1vga n GLY 209 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vga n GLY 210 N -0.13 -0.28 3.64 -0.02 0.00 -1.25 -4.69 105.19 102.46 1vga n GLY 210 Ca 0.18 -1.73 -0.43 0.00 0.00 0.00 0.00 46.02 44.05 1vga n GLY 210 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1vga s SER 211 N -1.00 6.23 -0.09 1.61 0.01 -1.26 -4.86 113.70 114.35 1vga s SER 211 Ca 0.00 2.05 0.04 0.00 1.31 0.00 0.00 55.95 59.35 1vga s SER 211 Cb 0.00 -2.53 -0.00 0.00 0.21 0.00 0.00 66.02 63.70 1vga s SER 211 CO 0.00 -1.32 -0.22 -0.69 0.41 0.00 0.00 173.24 171.42 1vga s VAL 212 N 5.54 1.90 0.28 3.43 1.01 -1.26 -5.00 120.40 126.30 1vga s VAL 212 Ca 0.83 -0.94 -0.04 0.00 0.00 0.00 0.00 61.98 61.83 1vga s VAL 212 Cb -0.33 -1.64 -0.01 0.00 0.00 0.00 0.00 36.38 34.40 1vga s VAL 212 CO 0.34 0.53 0.38 0.54 0.00 0.00 0.00 175.10 176.88 1vga s ASN 213 N 0.29 0.50 0.61 3.32 2.20 -1.26 -4.53 114.94 116.06 1vga s ASN 213 Ca -0.15 -1.32 0.36 0.00 -0.94 0.00 0.00 52.86 50.81 1vga s ASN 213 Cb -0.17 0.57 2.01 0.00 -2.00 0.00 0.00 41.25 41.66 1vga s ASN 213 CO 0.07 -1.12 2.27 0.71 -2.94 0.00 0.00 177.10 176.08 1vga h THR 214 N 2.28 0.27 0.12 0.54 1.35 -1.96 -1.45 112.91 114.06 1vga h THR 214 Ca -0.29 -0.11 -0.27 0.00 -0.55 0.00 0.00 66.41 65.19 1vga h THR 214 Cb 1.24 1.08 0.00 0.00 -1.73 0.00 0.00 68.15 68.75 1vga h THR 214 CO 0.41 0.02 -1.25 -0.08 -0.25 0.00 0.00 175.52 174.37 1vga h GLU 215 N 0.00 0.26 -0.01 4.72 4.81 -2.00 -3.38 114.58 118.98 1vga h GLU 215 Ca -0.00 -0.44 0.00 0.00 -0.13 0.00 0.00 59.36 58.79 1vga h GLU 215 Cb 0.08 0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.62 1vga h GLU 215 CO 0.00 1.20 -0.12 0.27 -0.73 0.00 0.00 179.01 179.64 1vga n ASN 216 N -3.52 1.64 -0.17 1.04 0.23 -1.03 -4.72 115.26 108.73 1vga n ASN 216 Ca -0.08 -1.32 -0.07 0.00 -0.53 0.00 0.00 54.58 52.58 1vga n ASN 216 Cb 1.02 0.24 0.02 0.00 -2.08 0.00 0.00 39.78 38.98 1vga n ASN 216 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1vga h SER 218 N 0.68 1.10 0.67 0.00 0.02 -1.84 -0.87 113.55 113.31 1vga h SER 218 Ca 0.19 -0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 61.09 1vga h SER 218 Cb -0.07 -0.27 -0.00 0.00 0.14 0.00 0.00 62.40 62.19 1vga h SER 218 CO -0.04 0.79 -0.12 0.77 -1.14 0.00 0.00 176.83 177.09 1vga h SER 219 N 1.29 0.00 0.02 3.07 4.64 -1.83 -2.81 113.55 117.93 1vga h SER 219 Ca 0.37 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.45 1vga h SER 219 Cb -0.11 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 61.95 1vga h SER 219 CO -0.09 0.12 -1.26 -0.07 -0.87 0.00 0.00 176.83 174.66 1vga h LEU 220 N 0.00 0.06 -2.34 5.97 3.38 -1.12 -3.37 115.31 117.89 1vga h LEU 220 Ca -0.00 -0.60 -0.01 0.00 0.09 0.00 0.00 57.88 57.36 1vga h LEU 220 Cb 0.48 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.21 1vga h LEU 220 CO 0.02 1.50 -0.04 -0.29 0.09 0.00 0.00 178.44 179.72 1vga h ILE 221 N -0.86 0.48 0.00 1.22 6.09 -1.22 -1.39 117.51 121.83 1vga h ILE 221 Ca -0.33 -0.17 -0.02 0.00 -1.37 0.00 0.00 64.86 62.97 1vga h ILE 221 Cb 1.38 1.11 -0.00 0.00 0.47 0.00 0.00 36.82 39.78 1vga h ILE 221 CO -0.15 0.04 -0.10 1.56 -3.07 0.00 0.00 178.15 176.42 1vga h GLN 222 N 0.00 0.00 -6.90 2.19 4.20 -1.66 -3.45 115.11 109.50 1vga h GLN 222 Ca -0.00 0.00 -0.54 0.00 0.06 0.00 0.00 58.65 58.17 1vga h GLN 222 Cb 0.11 0.00 0.10 0.00 0.30 0.00 0.00 27.48 27.99 1vga h GLN 222 CO 0.00 0.10 0.81 -0.65 -0.67 0.00 0.00 178.83 178.42 1vga s GLN 223 N -3.60 4.12 0.38 1.46 -1.52 -0.52 -4.89 119.66 115.09 1vga s GLN 223 Ca 0.02 2.56 0.11 0.00 -1.95 0.00 0.00 55.36 56.09 1vga s GLN 223 Cb 0.09 -2.99 0.88 0.00 -0.22 0.00 0.00 33.01 30.77 1vga s GLN 223 CO 0.60 -0.55 1.89 0.93 -0.25 0.00 0.00 175.29 177.91 1vga h GLU 224 N 3.60 0.60 -0.51 2.91 5.08 -1.88 -2.81 114.58 121.56 1vga h GLU 224 Ca -0.50 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 57.83 1vga h GLU 224 Cb 1.23 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.35 1vga h GLU 224 CO 0.69 0.40 0.00 -0.25 -1.00 0.00 0.00 179.01 178.85 1vga n ASP 225 N -4.53 3.41 -4.55 1.42 8.00 -1.26 -4.87 116.55 114.18 1vga n ASP 225 Ca 0.16 -1.97 -0.37 0.00 0.71 0.00 0.00 54.79 53.31 1vga n ASP 225 Cb 0.46 -0.34 -0.11 0.00 -0.02 0.00 0.00 41.12 41.11 1vga n ASP 225 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1vga s ILE 226 N -1.07 4.98 -0.48 0.53 1.01 -1.06 -4.63 121.20 120.47 1vga s ILE 226 Ca 0.36 0.06 0.15 0.00 0.00 0.00 0.00 60.65 61.22 1vga s ILE 226 Cb 0.19 -3.36 0.49 0.00 0.01 0.00 0.00 42.46 39.80 1vga s ILE 226 CO 0.26 0.28 1.41 0.47 0.00 0.00 0.00 174.94 177.36 1vga n ASP 227 N 4.97 3.76 0.00 3.58 8.00 0.06 -4.70 116.55 132.23 1vga n ASP 227 Ca -0.15 -2.67 0.00 0.00 0.71 0.00 0.00 54.79 52.68 1vga n ASP 227 Cb 0.52 -0.46 0.00 0.00 -0.02 0.00 0.00 41.12 41.16 1vga n ASP 227 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1vga n GLY 228 N -0.03 0.46 3.33 0.44 0.00 -1.26 -1.55 105.19 106.58 1vga n GLY 228 Ca 0.19 -1.68 -0.09 0.00 0.00 0.00 0.00 46.02 44.43 1vga n GLY 228 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1vga s PHE 229 N -2.72 0.29 -0.34 1.61 0.40 -0.65 -1.06 117.98 115.51 1vga s PHE 229 Ca 0.00 -0.66 -0.01 0.00 -0.60 0.00 0.00 56.93 55.66 1vga s PHE 229 Cb 0.00 -0.01 0.08 0.00 0.51 0.00 0.00 43.02 43.60 1vga s PHE 229 CO 0.00 -0.70 0.06 -1.17 0.70 0.00 0.00 175.22 174.11 1vga s LEU 230 N -2.94 4.44 -0.11 -0.37 2.96 -0.94 -0.94 118.68 120.78 1vga s LEU 230 Ca 0.14 -1.69 -0.14 0.00 -0.22 0.00 0.00 54.13 52.22 1vga s LEU 230 Cb 0.03 -1.72 -0.05 0.00 0.50 0.00 0.00 46.19 44.96 1vga s LEU 230 CO -0.03 -0.36 0.33 -0.69 -1.32 0.00 0.00 176.35 174.28 1vga s VAL 231 N 1.14 5.24 0.00 1.68 1.01 0.55 -4.59 120.40 125.43 1vga s VAL 231 Ca 0.02 0.63 0.00 0.00 0.00 0.00 0.00 61.98 62.63 1vga s VAL 231 Cb -0.21 -3.65 0.00 0.00 0.00 0.00 0.00 36.38 32.53 1vga s VAL 231 CO -0.04 0.46 0.00 0.61 0.00 0.00 0.00 175.10 176.13 1vga n GLY 232 N 2.78 0.67 0.43 4.51 0.00 -1.26 -0.32 105.19 112.01 1vga n GLY 232 Ca -0.13 0.00 0.25 0.00 0.00 0.00 0.00 46.02 46.14 1vga n GLY 232 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1vga h ASN 233 N 0.00 0.01 0.49 1.61 2.35 -1.92 0.13 115.58 118.24 1vga h ASN 233 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1vga h ASN 233 Cb 0.00 -0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 1vga h ASN 233 CO 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 177.43 175.78 1vga h ALA 234 N 1.62 1.00 -0.06 -0.83 0.00 -1.88 -2.22 119.26 116.90 1vga h ALA 234 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.27 1vga h ALA 234 Cb 1.44 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.23 1vga h ALA 234 CO -0.01 0.00 0.00 -1.13 0.00 0.00 0.00 179.25 178.11 1vga n SER 235 N -2.97 0.84 -0.97 0.00 3.41 0.44 -3.09 113.62 111.27 1vga n SER 235 Ca -0.01 -1.45 0.12 0.00 -0.26 0.00 0.00 58.87 57.27 1vga n SER 235 Cb 0.18 -0.03 0.21 0.00 -0.26 0.00 0.00 64.21 64.31 1vga n SER 235 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1vga n LEU 236 N -0.28 2.96 -4.69 1.04 7.99 -0.83 -4.92 117.00 118.28 1vga n LEU 236 Ca 0.17 -1.16 -0.30 0.00 -0.01 0.00 0.00 56.01 54.72 1vga n LEU 236 Cb 0.22 -0.13 -0.08 0.00 -0.11 0.00 0.00 43.42 43.32 1vga n LEU 236 CO 0.14 0.58 -0.34 -0.54 -1.51 0.00 0.00 177.39 175.72 1vga s LYS 237 N -1.75 2.55 0.51 3.23 1.02 -1.18 -5.00 119.74 119.12 1vga s LYS 237 Ca 0.34 -0.83 0.16 0.00 0.02 0.00 0.00 55.97 55.66 1vga s LYS 237 Cb 0.21 -2.54 1.24 0.00 -0.52 0.00 0.00 37.83 36.22 1vga s LYS 237 CO 0.31 0.54 2.12 1.49 -0.92 0.00 0.00 175.35 178.89 1vga h GLU 238 N 3.47 0.00 0.00 1.68 4.81 -1.91 -0.93 114.58 121.70 1vga h GLU 238 Ca -0.48 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 1vga h GLU 238 Cb 1.16 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.54 1vga h GLU 238 CO 0.60 0.03 0.00 -1.13 -0.73 0.00 0.00 179.01 177.78 1vga n SER 239 N -4.49 0.00 0.24 1.04 3.41 -1.26 -1.67 113.62 110.89 1vga n SER 239 Ca -0.03 -0.23 0.07 0.00 -0.26 0.00 0.00 58.87 58.42 1vga n SER 239 Cb 0.12 -0.02 0.59 0.00 -0.26 0.00 0.00 64.21 64.63 1vga n SER 239 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 1vga h PHE 240 N 0.00 0.00 -0.08 7.33 3.57 -1.32 -0.10 116.94 126.34 1vga h PHE 240 Ca 0.00 0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.52 1vga h PHE 240 Cb 0.01 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 38.74 1vga h PHE 240 CO 0.00 0.08 0.06 -0.39 -2.23 0.00 0.00 178.31 175.83 1vga h VAL 241 N 0.00 0.94 0.00 1.41 -1.51 -1.56 0.47 116.25 116.01 1vga h VAL 241 Ca -0.00 0.00 -0.12 0.00 -1.23 0.00 0.00 66.70 65.35 1vga h VAL 241 Cb 0.14 0.96 -0.02 0.00 -2.13 0.00 0.00 31.29 30.24 1vga h VAL 241 CO 0.01 0.00 -0.55 0.44 -1.23 0.00 0.00 177.57 176.24 1vga h ASP 242 N 0.00 0.00 -0.13 4.19 3.32 -1.24 -0.24 116.42 122.32 1vga h ASP 242 Ca 0.04 0.00 -0.20 0.00 0.02 0.00 0.00 57.03 56.89 1vga h ASP 242 Cb 0.16 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.71 1vga h ASP 242 CO -0.00 0.55 -0.67 0.40 -1.72 0.00 0.00 179.24 177.80 1vga h ILE 243 N 0.00 1.29 -0.53 0.35 2.04 -0.92 -2.14 117.51 117.60 1vga h ILE 243 Ca -0.01 -1.89 -0.03 0.00 1.00 0.00 0.00 64.86 63.93 1vga h ILE 243 Cb 1.13 1.85 -0.02 0.00 -0.74 0.00 0.00 36.82 39.03 1vga h ILE 243 CO 0.07 0.60 0.20 0.40 0.00 0.00 0.00 178.15 179.42 1vga h ILE 244 N 0.55 1.22 0.00 -0.67 2.04 -1.01 -2.52 117.51 117.12 1vga h ILE 244 Ca -0.02 -0.71 -0.00 0.00 1.00 0.00 0.00 64.86 65.12 1vga h ILE 244 Cb 1.28 0.70 -0.00 0.00 -0.74 0.00 0.00 36.82 38.06 1vga h ILE 244 CO 0.14 0.27 -0.01 0.11 0.00 0.00 0.00 178.15 178.66 1vga h LYS 245 N 0.72 0.00 0.00 2.37 1.57 -0.86 -0.81 116.57 119.56 1vga h LYS 245 Ca 0.17 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 1vga h LYS 245 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.54 1vga h LYS 245 CO -0.01 0.01 0.00 0.66 -0.57 0.00 0.00 179.45 179.54 1vga h SER 246 N 0.00 0.00 -0.22 0.86 4.64 -0.93 -2.10 113.55 115.81 1vga h SER 246 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1vga h SER 246 Cb 0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 1vga h SER 246 CO 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 1vga n ALA 247 N -1.99 2.41 1.53 5.18 0.00 -0.32 -4.87 120.51 122.45 1vga n ALA 247 Ca -0.00 -0.85 0.14 0.00 0.00 0.00 0.00 53.44 52.73 1vga n ALA 247 Cb 0.20 -0.67 0.55 0.00 0.00 0.00 0.00 19.45 19.53 1vga n ALA 247 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17