#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gvg s ARG 3 N 0.00 4.27 0.08 1.43 0.52 -1.26 -5.06 118.95 118.94 3gvg s ARG 3 Ca 0.00 0.33 -0.30 0.00 -0.52 0.00 0.00 55.73 55.24 3gvg s ARG 3 Cb 0.00 -3.41 -0.06 0.00 0.52 0.00 0.00 34.95 32.00 3gvg s ARG 3 CO 0.00 0.24 1.12 0.21 0.02 0.00 0.00 175.30 176.88 3gvg s LYS 4 N 0.40 4.51 0.66 3.54 2.20 -1.26 -5.00 119.74 124.79 3gvg s LYS 4 Ca 0.23 1.67 -0.16 0.00 -0.36 0.00 0.00 55.97 57.35 3gvg s LYS 4 Cb -0.15 -3.35 -0.00 0.00 -1.51 0.00 0.00 37.83 32.82 3gvg s LYS 4 CO 0.08 -0.10 1.13 -1.25 -0.36 0.00 0.00 175.35 174.85 3gvg s PRO 5 N 0.60 2.76 -0.10 4.03 0.04 -1.26 -4.84 135.00 136.24 3gvg s PRO 5 Ca 0.54 1.49 0.01 0.00 0.04 0.00 0.00 61.00 63.07 3gvg s PRO 5 Cb -0.27 -1.94 0.02 0.00 0.04 0.00 0.00 34.50 32.35 3gvg s PRO 5 CO 0.31 -1.30 -0.10 -1.17 0.04 0.00 0.00 177.00 174.78 3gvg s LEU 6 N -4.77 1.41 -0.30 -3.56 2.96 -0.28 -0.63 118.68 113.51 3gvg s LEU 6 Ca 0.69 -0.33 -0.03 0.00 -0.22 0.00 0.00 54.13 54.24 3gvg s LEU 6 Cb -0.22 -0.88 0.04 0.00 0.50 0.00 0.00 46.19 45.62 3gvg s LEU 6 CO 0.40 -0.06 0.02 -0.63 -1.32 0.00 0.00 176.35 174.76 3gvg s ILE 7 N 1.32 3.22 -0.14 6.68 -1.09 -0.04 -1.55 121.20 129.60 3gvg s ILE 7 Ca -0.02 -1.20 0.01 0.00 -2.23 0.00 0.00 60.65 57.22 3gvg s ILE 7 Cb -0.14 -2.79 0.00 0.00 -1.58 0.00 0.00 42.46 37.96 3gvg s ILE 7 CO -0.04 -0.04 -0.18 0.00 -1.23 0.00 0.00 174.94 173.44 3gvg s ALA 8 N 1.32 2.40 -0.49 9.38 0.00 -0.38 -1.20 121.76 132.79 3gvg s ALA 8 Ca -0.03 -1.05 -0.17 0.00 0.00 0.00 0.00 51.96 50.72 3gvg s ALA 8 Cb -0.19 -1.12 0.07 0.00 0.00 0.00 0.00 23.12 21.88 3gvg s ALA 8 CO -0.01 0.01 0.48 0.20 0.00 0.00 0.00 175.76 176.44 3gvg s GLY 9 N 0.76 1.95 -0.64 0.00 0.00 0.36 -0.98 107.32 108.77 3gvg s GLY 9 Ca -0.07 -1.99 -0.27 0.00 0.00 0.00 0.00 44.72 42.39 3gvg s GLY 9 CO 0.00 1.21 1.17 0.21 0.00 0.00 0.00 173.10 175.69 3gvg s ASN 10 N 2.66 6.30 0.45 1.64 2.47 0.23 -0.21 114.94 128.47 3gvg s ASN 10 Ca 0.08 -0.27 0.30 0.00 0.42 0.00 0.00 52.86 53.39 3gvg s ASN 10 Cb -0.23 -2.53 1.27 0.00 -1.45 0.00 0.00 41.25 38.31 3gvg s ASN 10 CO 0.08 -1.58 1.90 -0.50 -3.72 0.00 0.00 177.10 173.28 3gvg h TRP 11 N 9.70 0.00 0.00 0.43 4.06 -1.71 -3.41 115.95 125.02 3gvg h TRP 11 Ca -0.27 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.68 3gvg h TRP 11 Cb 1.06 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.22 3gvg h TRP 11 CO 1.05 0.00 0.00 1.63 -3.56 0.00 0.00 178.44 177.56 3gvg n LYS 12 N -2.77 0.00 -2.60 0.49 5.02 -1.26 -3.46 118.16 113.58 3gvg n LYS 12 Ca 0.01 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.87 3gvg n LYS 12 Cb 0.27 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.28 3gvg n LYS 12 CO 0.00 0.00 0.00 -0.12 -0.52 0.00 0.00 177.40 176.76 3gvg n MET 13 N 1.53 3.70 -3.80 1.97 0.00 -1.26 -4.26 117.12 115.01 3gvg n MET 13 Ca 0.00 -3.78 -0.13 0.00 -0.00 0.00 0.00 57.70 53.79 3gvg n MET 13 Cb 0.00 -2.87 -0.12 0.00 0.00 0.00 0.00 33.22 30.23 3gvg n MET 13 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 175.97 175.17 3gvg s ASN 14 N 0.86 -0.22 0.00 6.12 0.01 -1.22 -5.10 114.94 115.39 3gvg s ASN 14 Ca 0.39 0.42 0.00 0.00 -0.71 0.00 0.00 52.86 52.96 3gvg s ASN 14 Cb 0.06 0.42 0.00 0.00 0.41 0.00 0.00 41.25 42.14 3gvg s ASN 14 CO 0.02 -0.08 0.00 0.18 -1.51 0.00 0.00 177.10 175.71 3gvg n LEU 15 N 3.06 -0.92 0.00 0.60 4.77 -1.26 -4.61 117.00 118.63 3gvg n LEU 15 Ca -0.14 0.00 -0.25 0.00 -0.03 0.00 0.00 56.01 55.59 3gvg n LEU 15 Cb 0.58 -0.46 0.18 0.00 -2.33 0.00 0.00 43.42 41.39 3gvg n LEU 15 CO 0.19 0.00 0.70 -0.46 -1.33 0.00 0.00 177.39 176.49 3gvg n ASN 16 N 0.00 -0.37 0.19 -1.43 0.23 -1.26 -4.72 115.26 107.91 3gvg n ASN 16 Ca 0.00 -1.34 0.06 0.00 -0.53 0.00 0.00 54.58 52.77 3gvg n ASN 16 Cb 0.00 -0.87 0.35 0.00 -2.08 0.00 0.00 39.78 37.18 3gvg n ASN 16 CO 0.00 0.00 0.00 1.12 -0.93 0.00 0.00 177.26 177.45 3gvg h HIS 17 N -1.86 0.00 -0.09 -2.53 2.07 -1.96 0.13 115.15 110.91 3gvg h HIS 17 Ca -0.37 0.00 -0.07 0.00 -2.85 0.00 0.00 60.37 57.08 3gvg h HIS 17 Cb 1.03 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.01 3gvg h HIS 17 CO 0.00 0.36 -0.22 1.88 -3.07 0.00 0.00 177.93 176.88 3gvg h TYR 18 N 0.00 0.40 -0.48 6.12 0.05 -1.99 -2.96 116.97 118.11 3gvg h TYR 18 Ca -0.00 -0.15 -0.00 0.00 0.05 0.00 0.00 58.73 58.62 3gvg h TYR 18 Cb 0.88 -0.07 -0.02 0.00 1.01 0.00 0.00 36.73 38.53 3gvg h TYR 18 CO 0.00 0.83 0.29 0.93 -1.05 0.00 0.00 178.16 179.16 3gvg h GLU 19 N -0.15 0.65 -0.47 4.88 5.08 -1.83 -2.08 114.58 120.66 3gvg h GLU 19 Ca -0.00 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.31 3gvg h GLU 19 Cb 0.82 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.91 3gvg h GLU 19 CO 0.05 0.46 0.29 0.00 -1.00 0.00 0.00 179.01 178.81 3gvg h ALA 20 N 1.66 0.60 -0.34 3.43 0.00 -0.97 -0.24 119.26 123.40 3gvg h ALA 20 Ca 0.18 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3gvg h ALA 20 Cb -0.03 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 3gvg h ALA 20 CO -0.03 0.07 0.21 0.82 0.00 0.00 0.00 179.25 180.32 3gvg h ILE 21 N 0.63 1.11 -0.71 0.00 1.08 -1.29 -0.97 117.51 117.35 3gvg h ILE 21 Ca 0.17 -0.23 -0.01 0.00 -0.39 0.00 0.00 64.86 64.40 3gvg h ILE 21 Cb -0.03 0.65 -0.03 0.00 -3.07 0.00 0.00 36.82 34.34 3gvg h ILE 21 CO -0.03 0.10 0.41 0.00 -0.69 0.00 0.00 178.15 177.94 3gvg h ALA 22 N 1.10 0.91 -0.19 1.87 0.00 -1.19 -0.76 119.26 121.00 3gvg h ALA 22 Ca 0.12 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 3gvg h ALA 22 Cb -0.02 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 3gvg h ALA 22 CO -0.02 0.40 -0.02 1.25 0.00 0.00 0.00 179.25 180.85 3gvg h LEU 23 N 0.97 0.35 -0.87 0.00 5.85 -0.85 -0.98 115.31 119.77 3gvg h LEU 23 Ca 0.25 -0.34 -0.04 0.00 0.84 0.00 0.00 57.88 58.60 3gvg h LEU 23 Cb -0.00 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 40.90 3gvg h LEU 23 CO -0.04 0.61 0.37 0.58 -0.34 0.00 0.00 178.44 179.61 3gvg h VAL 24 N 0.08 1.26 -0.62 1.05 2.07 -0.98 0.09 116.25 119.20 3gvg h VAL 24 Ca 0.05 -0.75 -0.05 0.00 0.82 0.00 0.00 66.70 66.76 3gvg h VAL 24 Cb 0.44 0.23 -0.03 0.00 -1.52 0.00 0.00 31.29 30.42 3gvg h VAL 24 CO 0.01 0.32 0.18 1.56 0.02 0.00 0.00 177.57 179.66 3gvg h GLN 25 N 1.17 0.95 -0.47 1.57 4.20 -1.03 -1.53 115.11 119.97 3gvg h GLN 25 Ca 0.28 -0.19 -0.05 0.00 0.06 0.00 0.00 58.65 58.75 3gvg h GLN 25 Cb 0.15 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 27.77 3gvg h GLN 25 CO -0.03 0.83 0.10 -0.22 -0.67 0.00 0.00 178.83 178.84 3gvg h LYS 26 N 0.92 0.76 -0.48 1.46 1.63 -0.68 -0.76 116.57 119.42 3gvg h LYS 26 Ca 0.20 -0.19 0.03 0.00 -0.85 0.00 0.00 60.65 59.85 3gvg h LYS 26 Cb 0.29 -0.10 -0.04 0.00 -0.60 0.00 0.00 32.23 31.78 3gvg h LYS 26 CO -0.01 0.76 0.26 0.82 -3.45 0.00 0.00 179.45 177.83 3gvg h ILE 27 N 0.64 0.99 -0.36 2.00 2.04 -0.72 -0.27 117.51 121.83 3gvg h ILE 27 Ca 0.15 -0.18 -0.10 0.00 1.00 0.00 0.00 64.86 65.73 3gvg h ILE 27 Cb 0.35 0.44 -0.02 0.00 -0.74 0.00 0.00 36.82 36.85 3gvg h ILE 27 CO 0.00 0.09 -0.18 0.00 0.00 0.00 0.00 178.15 178.07 3gvg h ALA 28 N 1.24 1.03 -0.21 1.87 0.00 -1.05 -1.39 119.26 120.74 3gvg h ALA 28 Ca 0.20 -0.33 -0.09 0.00 0.00 0.00 0.00 54.91 54.69 3gvg h ALA 28 Cb 0.08 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3gvg h ALA 28 CO -0.12 0.58 -0.27 0.35 0.00 0.00 0.00 179.25 179.78 3gvg h PHE 29 N 0.59 0.46 0.00 0.00 3.57 -0.85 -3.34 116.94 117.37 3gvg h PHE 29 Ca 0.09 -0.10 -0.13 0.00 3.53 0.00 0.00 57.97 61.36 3gvg h PHE 29 Cb 0.63 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 39.24 3gvg h PHE 29 CO 0.03 0.65 -1.18 0.77 -2.23 0.00 0.00 178.31 176.35 3gvg h SER 30 N 0.36 0.00 -3.49 0.41 0.02 -0.33 -3.44 113.55 107.08 3gvg h SER 30 Ca 0.05 0.00 -0.72 0.00 -0.84 0.00 0.00 61.79 60.28 3gvg h SER 30 Cb 0.67 0.00 -0.24 0.00 0.14 0.00 0.00 62.40 62.97 3gvg h SER 30 CO 0.05 0.48 -0.45 -0.22 -1.14 0.00 0.00 176.83 175.55 3gvg s LEU 31 N -5.85 5.05 0.22 5.07 2.96 -0.59 -4.91 118.68 120.63 3gvg s LEU 31 Ca -0.01 -1.14 -0.30 0.00 -0.22 0.00 0.00 54.13 52.46 3gvg s LEU 31 Cb 0.09 -2.07 -0.15 0.00 0.50 0.00 0.00 46.19 44.55 3gvg s LEU 31 CO 0.80 -0.48 0.96 -2.65 -1.32 0.00 0.00 176.35 173.66 3gvg n PRO 32 N 5.05 0.97 -0.07 0.98 -0.02 -1.26 -4.88 135.00 135.77 3gvg n PRO 32 Ca -0.11 0.34 0.07 0.00 -2.02 0.00 0.00 63.50 61.78 3gvg n PRO 32 Cb 0.45 -1.68 0.43 0.00 -0.02 0.00 0.00 33.50 32.68 3gvg n PRO 32 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 3gvg h ASP 33 N 2.28 0.48 -0.84 2.55 3.58 -1.97 -2.08 116.42 120.43 3gvg h ASP 33 Ca -0.39 -0.00 0.24 0.00 0.42 0.00 0.00 57.03 57.30 3gvg h ASP 33 Cb 1.36 -0.11 -0.04 0.00 1.72 0.00 0.00 39.33 42.27 3gvg h ASP 33 CO 0.63 0.33 0.60 0.11 -2.88 0.00 0.00 179.24 178.03 3gvg h LYS 34 N 0.56 0.03 -0.00 0.28 6.56 -2.04 -2.26 116.57 119.69 3gvg h LYS 34 Ca 0.22 -0.00 -0.07 0.00 -1.06 0.00 0.00 60.65 59.74 3gvg h LYS 34 Cb 0.19 -0.01 -0.01 0.00 -0.57 0.00 0.00 32.23 31.83 3gvg h LYS 34 CO -0.06 0.02 -0.32 1.88 -2.06 0.00 0.00 179.45 178.90 3gvg h TYR 35 N 0.03 0.01 0.00 -1.35 0.05 -1.73 -3.09 116.97 110.88 3gvg h TYR 35 Ca 0.40 -0.00 -0.00 0.00 0.05 0.00 0.00 58.73 59.17 3gvg h TYR 35 Cb 1.56 -0.00 -0.00 0.00 1.01 0.00 0.00 36.73 39.30 3gvg h TYR 35 CO -0.00 0.33 -0.02 1.88 -1.05 0.00 0.00 178.16 179.30 3gvg h TYR 36 N 0.00 0.00 0.00 4.88 0.05 -1.59 0.66 116.97 120.98 3gvg h TYR 36 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 3gvg h TYR 36 Cb 0.58 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.32 3gvg h TYR 36 CO 0.00 0.02 0.00 -0.44 -1.05 0.00 0.00 178.16 176.69 3gvg h ASP 37 N 0.00 0.00 0.00 3.88 3.32 -1.73 -3.31 116.42 118.59 3gvg h ASP 37 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3gvg h ASP 37 Cb 0.33 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.88 3gvg h ASP 37 CO 0.00 0.00 -1.09 0.54 -1.72 0.00 0.00 179.24 176.97 3gvg n ARG 38 N -2.48 1.63 -3.75 3.56 1.74 0.11 -5.01 116.66 112.47 3gvg n ARG 38 Ca 0.03 -0.06 -0.13 0.00 -0.77 0.00 0.00 57.85 56.93 3gvg n ARG 38 Cb 0.35 -1.15 -0.11 0.00 -1.02 0.00 0.00 32.46 30.53 3gvg n ARG 38 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3gvg s VAL 39 N -2.45 -0.00 -0.02 1.55 0.11 -0.52 -4.27 120.40 114.80 3gvg s VAL 39 Ca -0.01 0.01 -0.18 0.00 -2.93 0.00 0.00 61.98 58.87 3gvg s VAL 39 Cb 0.07 -0.50 -0.05 0.00 -1.53 0.00 0.00 36.38 34.37 3gvg s VAL 39 CO 0.45 0.00 0.51 -1.81 -3.33 0.00 0.00 175.10 170.92 3gvg s ASP 40 N 0.26 6.87 -0.07 3.54 1.01 0.20 -4.30 116.67 124.18 3gvg s ASP 40 Ca -0.01 1.03 0.03 0.00 0.71 0.00 0.00 52.55 54.31 3gvg s ASP 40 Cb -0.03 -2.31 0.01 0.00 1.01 0.00 0.00 42.92 41.60 3gvg s ASP 40 CO -0.00 0.16 -0.15 -0.69 0.21 0.00 0.00 175.17 174.70 3gvg s VAL 41 N -0.34 1.32 0.03 -1.27 1.01 -1.26 -0.86 120.40 119.03 3gvg s VAL 41 Ca 0.27 -0.59 0.02 0.00 0.00 0.00 0.00 61.98 61.69 3gvg s VAL 41 Cb -0.17 -1.18 -0.02 0.00 0.00 0.00 0.00 36.38 35.01 3gvg s VAL 41 CO 0.15 0.39 -0.07 0.00 0.00 0.00 0.00 175.10 175.57 3gvg s ALA 42 N 0.59 0.52 0.01 5.51 0.00 -0.34 -1.07 121.76 126.98 3gvg s ALA 42 Ca -0.15 -0.61 0.03 0.00 0.00 0.00 0.00 51.96 51.23 3gvg s ALA 42 Cb -0.16 0.01 -0.03 0.00 0.00 0.00 0.00 23.12 22.93 3gvg s ALA 42 CO 0.05 0.01 -0.06 0.14 0.00 0.00 0.00 175.76 175.89 3gvg s VAL 43 N -1.04 3.68 -0.58 0.00 -7.23 -0.57 -0.48 120.40 114.17 3gvg s VAL 43 Ca -0.07 -0.81 0.04 0.00 -1.81 0.00 0.00 61.98 59.33 3gvg s VAL 43 Cb -0.08 -2.62 0.16 0.00 0.56 0.00 0.00 36.38 34.41 3gvg s VAL 43 CO 0.00 0.36 0.42 -0.63 -0.31 0.00 0.00 175.10 174.94 3gvg s ILE 44 N -1.03 1.95 0.70 -0.62 1.01 0.71 -1.28 121.20 122.64 3gvg s ILE 44 Ca 0.18 -3.59 -0.10 0.00 0.00 0.00 0.00 60.65 57.15 3gvg s ILE 44 Cb -0.11 -2.30 0.03 0.00 0.01 0.00 0.00 42.46 40.09 3gvg s ILE 44 CO 0.09 -1.06 1.06 -2.84 0.00 0.00 0.00 174.94 172.19 3gvg s PRO 45 N -0.78 2.61 0.78 2.79 0.02 -1.20 -2.19 135.00 137.02 3gvg s PRO 45 Ca 0.26 0.21 -0.15 0.00 0.02 0.00 0.00 61.00 61.34 3gvg s PRO 45 Cb -0.04 -2.08 0.02 0.00 0.02 0.00 0.00 34.50 32.42 3gvg s PRO 45 CO -0.16 -1.10 0.87 -2.30 -0.33 0.00 0.00 177.00 173.99 3gvg n PRO 46 N -2.97 0.26 -0.31 5.54 -0.02 -1.26 -4.33 135.00 131.90 3gvg n PRO 46 Ca 0.07 0.15 0.13 0.00 -2.02 0.00 0.00 63.50 61.82 3gvg n PRO 46 Cb 0.58 -2.16 0.30 0.00 -0.02 0.00 0.00 33.50 32.21 3gvg n PRO 46 CO 0.00 0.00 0.00 0.74 1.98 0.00 0.00 175.50 178.22 3gvg h PHE 47 N -0.65 0.71 0.00 6.00 0.04 -1.96 -1.07 116.94 120.01 3gvg h PHE 47 Ca -0.46 0.04 0.00 0.00 2.80 0.00 0.00 57.97 60.35 3gvg h PHE 47 Cb 1.32 -0.17 0.00 0.00 2.20 0.00 0.00 35.95 39.30 3gvg h PHE 47 CO 0.41 0.00 0.00 0.25 -0.60 0.00 0.00 178.31 178.37 3gvg n THR 48 N -5.00 0.81 1.07 -1.55 -2.24 -1.26 -2.56 114.28 103.55 3gvg n THR 48 Ca 0.22 0.18 0.12 0.00 -2.27 0.00 0.00 64.05 62.29 3gvg n THR 48 Cb 0.63 -1.07 0.10 0.00 -2.10 0.00 0.00 70.33 67.89 3gvg n THR 48 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3gvg n ASP 49 N -2.14 1.97 -0.09 3.42 8.00 -0.41 -4.66 116.55 122.65 3gvg n ASP 49 Ca 0.03 -1.48 -0.12 0.00 0.71 0.00 0.00 54.79 53.93 3gvg n ASP 49 Cb 0.24 0.33 -0.05 0.00 -0.02 0.00 0.00 41.12 41.63 3gvg n ASP 49 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3gvg h LEU 50 N 2.54 0.56 -0.51 0.64 3.38 -1.54 -2.04 115.31 118.36 3gvg h LEU 50 Ca 0.00 -0.42 0.04 0.00 0.09 0.00 0.00 57.88 57.59 3gvg h LEU 50 Cb 0.74 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 41.29 3gvg h LEU 50 CO 0.00 0.86 0.26 -0.09 0.09 0.00 0.00 178.44 179.56 3gvg h ARG 51 N 0.26 0.50 -0.64 1.13 9.65 -1.83 0.84 114.38 124.30 3gvg h ARG 51 Ca 0.05 -0.03 0.03 0.00 -1.10 0.00 0.00 59.98 58.93 3gvg h ARG 51 Cb 0.66 -0.11 -0.04 0.00 -1.39 0.00 0.00 29.97 29.08 3gvg h ARG 51 CO 0.04 0.33 0.39 0.77 2.80 0.00 0.00 179.97 184.30 3gvg h SER 52 N 0.51 0.64 -0.38 -3.80 0.02 -1.83 -1.75 113.55 106.95 3gvg h SER 52 Ca 0.22 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 61.08 3gvg h SER 52 Cb 0.12 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.52 3gvg h SER 52 CO -0.15 0.44 -0.15 0.58 -1.14 0.00 0.00 176.83 176.42 3gvg h VAL 53 N 0.77 1.28 -0.36 2.27 2.07 -0.91 -2.48 116.25 118.88 3gvg h VAL 53 Ca 0.26 -1.26 0.06 0.00 0.82 0.00 0.00 66.70 66.58 3gvg h VAL 53 Cb 0.04 1.30 -0.05 0.00 -1.52 0.00 0.00 31.29 31.05 3gvg h VAL 53 CO -0.11 0.42 0.04 -0.61 0.02 0.00 0.00 177.57 177.33 3gvg h GLN 54 N 0.57 0.15 -0.26 1.57 4.15 -0.53 -0.56 115.11 120.21 3gvg h GLN 54 Ca 0.09 -0.01 -0.13 0.00 0.77 0.00 0.00 58.65 59.37 3gvg h GLN 54 Cb 0.68 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.33 3gvg h GLN 54 CO 0.05 0.10 -0.37 1.15 -1.93 0.00 0.00 178.83 177.83 3gvg h THR 55 N 0.15 1.29 -0.08 2.39 2.02 -1.22 -0.36 112.91 117.11 3gvg h THR 55 Ca 0.17 -1.51 -0.01 0.00 0.77 0.00 0.00 66.41 65.83 3gvg h THR 55 Cb 0.22 1.50 -0.00 0.00 -1.74 0.00 0.00 68.15 68.12 3gvg h THR 55 CO -0.25 0.48 -0.00 0.25 0.37 0.00 0.00 175.52 176.36 3gvg h LEU 56 N 0.48 0.13 -0.41 2.58 5.85 -1.21 0.70 115.31 123.43 3gvg h LEU 56 Ca 0.05 -0.31 0.01 0.00 0.84 0.00 0.00 57.88 58.47 3gvg h LEU 56 Cb 0.86 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.83 3gvg h LEU 56 CO 0.07 0.41 0.25 0.58 -0.34 0.00 0.00 178.44 179.42 3gvg h VAL 57 N -0.15 1.07 -0.10 1.05 2.07 -0.89 0.10 116.25 119.40 3gvg h VAL 57 Ca 0.02 -0.18 -0.09 0.00 0.82 0.00 0.00 66.70 67.28 3gvg h VAL 57 Cb 0.35 0.51 0.00 0.00 -1.52 0.00 0.00 31.29 30.63 3gvg h VAL 57 CO 0.00 0.09 -0.27 0.44 0.02 0.00 0.00 177.57 177.85 3gvg h ASP 58 N 0.51 0.42 0.36 0.57 3.32 -1.10 0.40 116.42 120.91 3gvg h ASP 58 Ca 0.16 -0.59 -0.13 0.00 0.02 0.00 0.00 57.03 56.49 3gvg h ASP 58 Cb -0.02 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.40 3gvg h ASP 58 CO -0.06 0.94 -0.55 1.23 -1.72 0.00 0.00 179.24 179.08 3gvg h GLY 59 N -0.07 0.22 -0.78 2.75 0.00 -0.72 -2.88 103.07 101.58 3gvg h GLY 59 Ca -0.01 -0.25 0.00 0.00 0.00 0.00 0.00 47.33 47.07 3gvg h GLY 59 CO 0.06 0.23 0.00 1.22 0.00 0.00 0.00 176.54 178.04 3gvg n ASP 60 N -3.91 1.77 -3.78 0.19 8.00 0.34 -4.96 116.55 114.21 3gvg n ASP 60 Ca -0.02 -1.63 -0.24 0.00 0.71 0.00 0.00 54.79 53.61 3gvg n ASP 60 Cb 0.58 -0.04 0.03 0.00 -0.02 0.00 0.00 41.12 41.66 3gvg n ASP 60 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3gvg n LYS 61 N 0.39 -5.09 -2.48 -1.24 5.02 -0.77 -4.93 118.16 109.06 3gvg n LYS 61 Ca 0.18 0.61 -0.34 0.00 -2.02 0.00 0.00 58.31 56.73 3gvg n LYS 61 Cb 0.38 -5.26 -0.03 0.00 -0.02 0.00 0.00 35.03 30.10 3gvg n LYS 61 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3gvg s LEU 62 N -6.90 3.81 0.05 -0.35 1.43 0.06 -4.95 118.68 111.83 3gvg s LEU 62 Ca 0.23 1.94 0.24 0.00 -1.03 0.00 0.00 54.13 55.51 3gvg s LEU 62 Cb -0.11 -4.56 0.35 0.00 0.03 0.00 0.00 46.19 41.90 3gvg s LEU 62 CO 0.82 -0.85 1.30 0.54 0.23 0.00 0.00 176.35 178.39 3gvg n ARG 63 N -1.09 0.15 -2.21 1.70 1.74 -1.26 -4.84 116.66 110.84 3gvg n ARG 63 Ca 0.09 0.03 -0.34 0.00 -0.77 0.00 0.00 57.85 56.86 3gvg n ARG 63 Cb 0.52 -1.58 0.00 0.00 -1.02 0.00 0.00 32.46 30.39 3gvg n ARG 63 CO 0.00 0.00 0.00 -0.48 -1.52 0.00 0.00 177.63 175.63 3gvg s LEU 64 N -3.56 3.69 0.00 0.55 0.05 -1.26 -4.79 118.68 113.37 3gvg s LEU 64 Ca 0.08 2.10 0.02 0.00 0.05 0.00 0.00 54.13 56.38 3gvg s LEU 64 Cb 0.16 -4.57 0.02 0.00 -2.05 0.00 0.00 46.19 39.75 3gvg s LEU 64 CO 0.73 -1.22 0.18 0.35 -0.55 0.00 0.00 176.35 175.84 3gvg n THR 65 N -1.46 0.00 -3.85 5.48 -2.24 -0.23 -5.01 114.28 106.97 3gvg n THR 65 Ca 0.11 -1.74 -0.09 0.00 -2.27 0.00 0.00 64.05 60.06 3gvg n THR 65 Cb 0.51 0.07 -0.04 0.00 -2.10 0.00 0.00 70.33 68.78 3gvg n THR 65 CO 0.00 0.00 0.00 -0.72 -0.57 0.00 0.00 175.07 173.78 3gvg s TYR 66 N -2.21 0.02 0.37 4.78 -0.85 -1.26 -1.51 117.35 116.68 3gvg s TYR 66 Ca 0.14 -0.39 -0.16 0.00 -0.52 0.00 0.00 57.07 56.14 3gvg s TYR 66 Cb -0.01 0.40 0.06 0.00 0.38 0.00 0.00 41.96 42.79 3gvg s TYR 66 CO 0.09 -1.01 0.83 0.20 -1.52 0.00 0.00 175.55 174.14 3gvg s GLY 67 N -2.93 0.36 0.39 5.49 0.00 -0.40 -0.81 107.32 109.43 3gvg s GLY 67 Ca 0.14 -0.73 0.08 0.00 0.00 0.00 0.00 44.72 44.21 3gvg s GLY 67 CO 0.03 0.05 0.19 0.00 0.00 0.00 0.00 173.10 173.37 3gvg s ALA 68 N -2.19 3.62 -1.66 3.20 0.00 -0.80 -3.26 121.76 120.67 3gvg s ALA 68 Ca 0.17 -2.00 0.23 0.00 0.00 0.00 0.00 51.96 50.35 3gvg s ALA 68 Cb -0.05 -0.56 0.10 0.00 0.00 0.00 0.00 23.12 22.61 3gvg s ALA 68 CO 0.11 -0.12 1.14 1.04 0.00 0.00 0.00 175.76 177.94 3gvg n GLN 69 N -1.25 0.77 -3.73 0.00 6.02 -1.26 -0.73 117.38 117.20 3gvg n GLN 69 Ca -0.01 -0.60 -0.01 0.00 -0.01 0.00 0.00 57.00 56.37 3gvg n GLN 69 Cb 0.63 -1.49 -0.01 0.00 1.02 0.00 0.00 30.24 30.40 3gvg n GLN 69 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 3gvg s ASP 70 N -2.65 -0.10 0.16 1.08 2.15 -1.20 -4.46 116.67 111.64 3gvg s ASP 70 Ca 0.16 -0.33 -0.22 0.00 0.43 0.00 0.00 52.55 52.60 3gvg s ASP 70 Cb 0.18 0.35 0.06 0.00 -0.30 0.00 0.00 42.92 43.21 3gvg s ASP 70 CO 0.65 -0.66 0.57 -1.48 -0.17 0.00 0.00 175.17 174.08 3gvg s LEU 71 N -3.05 -0.40 0.56 -1.34 2.34 -1.26 -4.88 118.68 110.66 3gvg s LEU 71 Ca 0.15 -0.09 -0.19 0.00 0.06 0.00 0.00 54.13 54.06 3gvg s LEU 71 Cb 0.01 2.48 -0.05 0.00 -0.56 0.00 0.00 46.19 48.07 3gvg s LEU 71 CO 0.00 -0.97 1.14 -0.55 -1.06 0.00 0.00 176.35 174.91 3gvg s SER 72 N -2.77 5.59 0.22 1.48 0.15 0.27 -4.94 113.70 113.70 3gvg s SER 72 Ca 0.02 2.21 0.23 0.00 0.70 0.00 0.00 55.95 59.11 3gvg s SER 72 Cb -0.01 -2.58 0.92 0.00 -1.71 0.00 0.00 66.02 62.64 3gvg s SER 72 CO -0.12 -1.31 1.71 -0.81 1.20 0.00 0.00 173.24 173.91 3gvg n PRO 73 N -1.41 0.18 -3.90 5.44 -0.04 -1.26 -4.62 135.00 129.39 3gvg n PRO 73 Ca 0.12 0.35 -0.23 0.00 -0.04 0.00 0.00 63.50 63.70 3gvg n PRO 73 Cb 0.51 -1.81 -0.02 0.00 -0.04 0.00 0.00 33.50 32.13 3gvg n PRO 73 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 3gvg s HIS 74 N -3.24 3.47 0.01 0.54 3.76 -1.26 -4.80 115.29 113.77 3gvg s HIS 74 Ca 0.06 0.07 -0.02 0.00 -0.15 0.00 0.00 55.06 55.01 3gvg s HIS 74 Cb 0.10 -1.64 -0.27 0.00 1.11 0.00 0.00 32.58 31.88 3gvg s HIS 74 CO 0.42 0.43 0.90 -0.44 -0.85 0.00 0.00 174.74 175.20 3gvg h ASP 75 N 1.45 0.37 -5.01 1.40 3.32 -1.98 -3.42 116.42 112.54 3gvg h ASP 75 Ca -0.51 -0.50 0.10 0.00 0.02 0.00 0.00 57.03 56.15 3gvg h ASP 75 Cb 1.22 -0.12 -0.10 0.00 0.22 0.00 0.00 39.33 40.55 3gvg h ASP 75 CO 0.63 1.41 0.38 -0.94 -1.72 0.00 0.00 179.24 179.01 3gvg s SER 76 N -6.96 -0.32 0.00 6.45 1.04 -1.26 -4.70 113.70 107.94 3gvg s SER 76 Ca -0.08 -0.25 0.00 0.00 0.48 0.00 0.00 55.95 56.10 3gvg s SER 76 Cb 0.07 0.53 0.00 0.00 0.10 0.00 0.00 66.02 66.72 3gvg s SER 76 CO 0.85 -0.93 0.00 0.61 0.98 0.00 0.00 173.24 174.76 3gvg n GLY 77 N -0.39 0.69 2.84 7.32 0.00 -1.26 -4.92 105.19 109.47 3gvg n GLY 77 Ca -0.09 -2.00 -0.42 0.00 0.00 0.00 0.00 46.02 43.51 3gvg n GLY 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gvg n ALA 78 N -1.00 5.35 -3.30 4.61 0.00 -1.26 -4.67 120.51 120.24 3gvg n ALA 78 Ca 0.00 -4.09 -0.25 0.00 0.00 0.00 0.00 53.44 49.10 3gvg n ALA 78 Cb 0.00 -3.28 -0.08 0.00 0.00 0.00 0.00 19.45 16.10 3gvg n ALA 78 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3gvg n TYR 79 N 5.16 0.82 -1.67 0.00 4.01 -1.26 -5.10 117.16 119.12 3gvg n TYR 79 Ca 0.46 -3.73 -0.46 0.00 -0.16 0.00 0.00 57.90 54.01 3gvg n TYR 79 Cb 0.38 -0.36 -0.04 0.00 -0.31 0.00 0.00 39.34 39.01 3gvg n TYR 79 CO 0.00 0.00 0.00 2.41 -0.46 0.00 0.00 176.86 178.81 3gvg n THR 80 N 1.41 0.01 0.00 -0.72 -1.04 -1.26 -1.53 114.28 111.15 3gvg n THR 80 Ca 0.24 -0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.25 3gvg n THR 80 Cb 0.49 -1.58 0.00 0.00 -1.82 0.00 0.00 70.33 67.42 3gvg n THR 80 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3gvg n GLY 81 N 3.47 2.76 3.91 3.41 0.00 -1.26 -5.06 105.19 112.43 3gvg n GLY 81 Ca 0.17 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.91 3gvg n GLY 81 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3gvg s ASP 82 N -1.31 6.41 -0.10 1.61 1.01 -0.58 -5.09 116.67 118.62 3gvg s ASP 82 Ca 0.00 0.63 0.04 0.00 0.71 0.00 0.00 52.55 53.93 3gvg s ASP 82 Cb 0.00 -2.11 0.00 0.00 1.01 0.00 0.00 42.92 41.82 3gvg s ASP 82 CO 0.00 -0.19 -0.24 -0.69 0.21 0.00 0.00 175.17 174.26 3gvg s VAL 83 N -2.10 2.02 0.14 -1.27 1.01 -1.26 -5.00 120.40 113.94 3gvg s VAL 83 Ca 0.43 -1.00 -0.22 0.00 0.00 0.00 0.00 61.98 61.19 3gvg s VAL 83 Cb -0.11 -1.75 -0.07 0.00 0.00 0.00 0.00 36.38 34.45 3gvg s VAL 83 CO 0.31 0.55 0.68 -0.55 0.00 0.00 0.00 175.10 176.09 3gvg s SER 84 N 0.33 7.19 0.58 3.32 0.15 -1.26 -0.56 113.70 123.45 3gvg s SER 84 Ca -0.18 1.44 0.28 0.00 0.70 0.00 0.00 55.95 58.19 3gvg s SER 84 Cb -0.18 -2.43 1.64 0.00 -1.71 0.00 0.00 66.02 63.35 3gvg s SER 84 CO 0.09 0.21 2.11 1.23 1.20 0.00 0.00 173.24 178.08 3gvg h GLY 85 N 4.25 0.00 0.97 9.45 0.00 -1.82 -0.92 103.07 115.00 3gvg h GLY 85 Ca -0.48 0.00 0.02 0.00 0.00 0.00 0.00 47.33 46.86 3gvg h GLY 85 CO 0.65 0.00 0.62 0.00 0.00 0.00 0.00 176.54 177.80 3gvg h ALA 86 N 1.80 1.20 -0.43 3.60 0.00 -1.92 -0.06 119.26 123.44 3gvg h ALA 86 Ca 0.08 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 3gvg h ALA 86 Cb 0.44 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3gvg h ALA 86 CO -0.00 0.55 -0.12 0.74 0.00 0.00 0.00 179.25 180.42 3gvg h PHE 87 N 1.24 0.95 -0.66 0.00 0.04 -1.54 -2.39 116.94 114.59 3gvg h PHE 87 Ca 0.35 -0.21 -0.06 0.00 2.80 0.00 0.00 57.97 60.85 3gvg h PHE 87 Cb -0.10 -0.23 -0.03 0.00 2.20 0.00 0.00 35.95 37.79 3gvg h PHE 87 CO -0.01 0.96 0.16 -0.07 -0.60 0.00 0.00 178.31 178.75 3gvg h LEU 88 N 0.67 0.97 -0.48 1.54 3.38 -1.18 -1.56 115.31 118.65 3gvg h LEU 88 Ca 0.11 -0.19 -0.06 0.00 0.09 0.00 0.00 57.88 57.82 3gvg h LEU 88 Cb 0.66 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 3gvg h LEU 88 CO 0.05 0.93 0.05 0.00 0.09 0.00 0.00 178.44 179.56 3gvg h ALA 89 N 1.19 0.64 0.00 1.53 0.00 -0.93 -1.93 119.26 119.75 3gvg h ALA 89 Ca 0.21 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 3gvg h ALA 89 Cb 0.34 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 3gvg h ALA 89 CO 0.00 0.40 -0.11 0.87 0.00 0.00 0.00 179.25 180.41 3gvg h LYS 90 N 0.67 0.00 -0.00 0.00 1.79 -1.19 -0.44 116.57 117.41 3gvg h LYS 90 Ca 0.14 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.61 3gvg h LYS 90 Cb 0.44 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.09 3gvg h LYS 90 CO 0.02 0.11 0.00 1.28 -1.08 0.00 0.00 179.45 179.78 3gvg n LEU 91 N -3.53 0.16 -0.13 2.94 4.77 -0.61 -4.92 117.00 115.68 3gvg n LEU 91 Ca -0.01 -0.05 -0.02 0.00 -0.03 0.00 0.00 56.01 55.89 3gvg n LEU 91 Cb 0.25 -0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.33 3gvg n LEU 91 CO 0.29 0.03 -0.02 0.61 -1.33 0.00 0.00 177.39 176.97 3gvg n GLY 92 N 1.00 0.53 3.77 -0.72 0.00 -0.17 -4.71 105.19 104.89 3gvg n GLY 92 Ca 0.22 -0.61 -0.41 0.00 0.00 0.00 0.00 46.02 45.23 3gvg n GLY 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gvg n SER 94 N 1.02 1.07 -4.36 0.00 7.64 0.01 -4.73 113.62 114.27 3gvg n SER 94 Ca 0.03 0.33 -0.19 0.00 1.01 0.00 0.00 58.87 60.06 3gvg n SER 94 Cb 0.39 -0.14 -0.10 0.00 -1.01 0.00 0.00 64.21 63.35 3gvg n SER 94 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 3gvg s TYR 95 N -2.58 1.72 -0.14 1.43 2.02 -1.13 -0.85 117.35 117.82 3gvg s TYR 95 Ca -0.09 -0.66 -0.07 0.00 -0.37 0.00 0.00 57.07 55.88 3gvg s TYR 95 Cb 0.08 -0.88 0.06 0.00 -0.40 0.00 0.00 41.96 40.82 3gvg s TYR 95 CO 0.81 0.27 0.32 0.54 -1.57 0.00 0.00 175.55 175.93 3gvg s VAL 96 N -3.06 -0.15 0.10 0.71 0.11 -0.72 -1.90 120.40 115.49 3gvg s VAL 96 Ca 0.24 0.15 -0.30 0.00 -2.93 0.00 0.00 61.98 59.14 3gvg s VAL 96 Cb 0.01 -0.50 -0.06 0.00 -1.53 0.00 0.00 36.38 34.31 3gvg s VAL 96 CO 0.08 0.06 1.12 -0.69 -3.33 0.00 0.00 175.10 172.34 3gvg s VAL 97 N 1.61 4.11 -0.03 2.04 1.01 0.09 -0.42 120.40 128.81 3gvg s VAL 97 Ca -0.07 1.63 0.03 0.00 0.00 0.00 0.00 61.98 63.57 3gvg s VAL 97 Cb -0.10 -4.04 0.00 0.00 0.00 0.00 0.00 36.38 32.24 3gvg s VAL 97 CO -0.10 0.19 -0.12 0.68 0.00 0.00 0.00 175.10 175.74 3gvg s VAL 98 N 0.51 1.06 -0.49 2.92 -7.23 -0.20 -3.27 120.40 113.70 3gvg s VAL 98 Ca 0.54 -0.51 0.00 0.00 -1.81 0.00 0.00 61.98 60.20 3gvg s VAL 98 Cb -0.28 -0.92 0.00 0.00 0.56 0.00 0.00 36.38 35.74 3gvg s VAL 98 CO 0.31 0.32 0.00 0.61 -0.31 0.00 0.00 175.10 176.03 3gvg n GLY 99 N 3.23 0.61 3.60 2.32 0.00 -1.26 -1.60 105.19 112.09 3gvg n GLY 99 Ca -0.18 -0.81 -0.41 0.00 0.00 0.00 0.00 46.02 44.62 3gvg n GLY 99 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3gvg n HIS 100 N -3.14 1.13 -0.23 1.61 -0.00 -1.26 -4.41 115.22 108.91 3gvg n HIS 100 Ca -0.05 0.56 0.13 0.00 0.46 0.00 0.00 57.72 58.83 3gvg n HIS 100 Cb 0.25 -2.22 0.43 0.00 -0.12 0.00 0.00 29.99 28.33 3gvg n HIS 100 CO 0.00 0.00 0.00 0.66 0.46 0.00 0.00 176.34 177.46 3gvg h SER 101 N 1.52 0.55 -0.50 0.26 4.64 -1.94 0.57 113.55 118.66 3gvg h SER 101 Ca -0.44 0.03 -0.05 0.00 -0.47 0.00 0.00 61.79 60.86 3gvg h SER 101 Cb 1.34 -0.08 -0.03 0.00 -0.31 0.00 0.00 62.40 63.33 3gvg h SER 101 CO 0.57 0.28 0.14 -0.33 -0.87 0.00 0.00 176.83 176.61 3gvg h GLU 102 N 0.59 0.84 -0.06 4.77 5.08 -1.98 0.78 114.58 124.59 3gvg h GLU 102 Ca 0.42 -0.17 -0.22 0.00 -1.00 0.00 0.00 59.36 58.39 3gvg h GLU 102 Cb 0.77 -0.13 0.01 0.00 0.50 0.00 0.00 28.75 29.90 3gvg h GLU 102 CO -0.17 0.76 -0.86 0.00 -1.00 0.00 0.00 179.01 177.74 3gvg h ARG 103 N 0.81 0.57 -0.82 2.33 3.08 -1.28 0.13 114.38 119.20 3gvg h ARG 103 Ca 0.18 -0.53 -0.02 0.00 0.07 0.00 0.00 59.98 59.68 3gvg h ARG 103 Cb 0.29 0.13 -0.04 0.00 0.08 0.00 0.00 29.97 30.43 3gvg h ARG 103 CO -0.00 1.15 0.44 0.00 -1.07 0.00 0.00 179.97 180.49 3gvg h ARG 104 N 0.36 1.14 0.00 0.04 3.08 -0.94 -0.79 114.38 117.28 3gvg h ARG 104 Ca -0.07 -0.14 -0.08 0.00 0.07 0.00 0.00 59.98 59.77 3gvg h ARG 104 Cb 1.48 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 31.29 3gvg h ARG 104 CO 0.16 0.84 -0.45 1.15 -1.07 0.00 0.00 179.97 180.61 3gvg h THR 105 N 1.15 1.36 0.00 2.04 2.02 -0.79 -3.07 112.91 115.61 3gvg h THR 105 Ca 0.29 -2.19 -0.10 0.00 0.77 0.00 0.00 66.41 65.18 3gvg h THR 105 Cb 0.04 2.73 -0.02 0.00 -1.74 0.00 0.00 68.15 69.17 3gvg h THR 105 CO -0.04 0.46 -0.83 1.88 0.37 0.00 0.00 175.52 177.35 3gvg h TYR 106 N -1.00 0.00 0.00 3.16 0.05 -0.84 -3.35 116.97 114.99 3gvg h TYR 106 Ca -0.12 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.66 3gvg h TYR 106 Cb 1.04 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.78 3gvg h TYR 106 CO 0.19 0.42 -0.03 0.72 -1.05 0.00 0.00 178.16 178.42 3gvg n HIS 107 N -3.03 0.00 -2.36 4.88 8.25 -0.33 -5.02 115.22 117.60 3gvg n HIS 107 Ca -0.02 -0.59 -0.20 0.00 -0.26 0.00 0.00 57.72 56.65 3gvg n HIS 107 Cb 0.73 -0.08 -0.01 0.00 1.12 0.00 0.00 29.99 31.75 3gvg n HIS 107 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 3gvg n ASN 108 N -0.73 -5.68 -4.70 0.41 3.02 -1.02 -4.90 115.26 101.66 3gvg n ASN 108 Ca 0.05 0.03 -0.42 0.00 -0.03 0.00 0.00 54.58 54.21 3gvg n ASN 108 Cb 0.42 -4.75 -0.03 0.00 -0.61 0.00 0.00 39.78 34.81 3gvg n ASN 108 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3gvg s GLU 109 N -4.98 4.52 0.49 3.52 2.02 -1.12 -4.98 118.70 118.17 3gvg s GLU 109 Ca 0.00 1.41 0.09 0.00 0.02 0.00 0.00 54.97 56.49 3gvg s GLU 109 Cb 0.00 -3.49 0.04 0.00 0.10 0.00 0.00 34.13 30.79 3gvg s GLU 109 CO 0.00 -0.13 0.63 0.16 0.02 0.00 0.00 175.26 175.94 3gvg s ASP 110 N 1.04 5.28 0.25 -0.19 1.47 -1.26 -4.46 116.67 118.80 3gvg s ASP 110 Ca 0.51 -0.70 -0.05 0.00 1.18 0.00 0.00 52.55 53.49 3gvg s ASP 110 Cb -0.20 -0.16 0.30 0.00 -0.34 0.00 0.00 42.92 42.52 3gvg s ASP 110 CO 0.25 -1.02 1.90 0.44 0.68 0.00 0.00 175.17 177.42 3gvg h ASP 111 N 0.49 1.05 -0.67 2.11 3.32 -1.94 -1.26 116.42 119.53 3gvg h ASP 111 Ca -0.35 -0.01 -0.04 0.00 0.02 0.00 0.00 57.03 56.64 3gvg h ASP 111 Cb 1.28 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 40.56 3gvg h ASP 111 CO 0.45 0.73 0.25 0.00 -1.72 0.00 0.00 179.24 178.95 3gvg h ALA 112 N 1.39 1.14 -0.30 3.45 0.00 -1.95 0.33 119.26 123.32 3gvg h ALA 112 Ca 0.38 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 3gvg h ALA 112 Cb -0.02 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 3gvg h ALA 112 CO -0.12 0.61 0.02 1.25 0.00 0.00 0.00 179.25 181.01 3gvg h LEU 113 N 1.00 0.49 -0.46 0.00 5.85 -1.78 -1.79 115.31 118.63 3gvg h LEU 113 Ca 0.23 -0.29 0.04 0.00 0.84 0.00 0.00 57.88 58.70 3gvg h LEU 113 Cb 0.23 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.08 3gvg h LEU 113 CO -0.02 0.66 0.22 0.58 -0.34 0.00 0.00 178.44 179.55 3gvg h VAL 114 N 0.31 0.95 -0.68 1.05 2.07 -0.85 0.21 116.25 119.32 3gvg h VAL 114 Ca 0.09 -0.15 -0.01 0.00 0.82 0.00 0.00 66.70 67.45 3gvg h VAL 114 Cb 0.39 0.47 -0.03 0.00 -1.52 0.00 0.00 31.29 30.60 3gvg h VAL 114 CO 0.01 0.08 0.40 0.00 0.02 0.00 0.00 177.57 178.09 3gvg h ALA 115 N 1.25 1.43 -0.42 1.67 0.00 -0.77 0.42 119.26 122.85 3gvg h ALA 115 Ca 0.20 -0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.94 3gvg h ALA 115 Cb 0.12 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 3gvg h ALA 115 CO -0.15 0.49 -0.10 0.00 0.00 0.00 0.00 179.25 179.49 3gvg h ALA 116 N 1.51 0.57 -0.79 0.00 0.00 -0.70 -1.35 119.26 118.50 3gvg h ALA 116 Ca 0.24 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 3gvg h ALA 116 Cb -0.03 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.58 3gvg h ALA 116 CO -0.05 0.45 0.44 0.87 0.00 0.00 0.00 179.25 180.96 3gvg h LYS 117 N 0.62 1.10 -0.57 0.00 1.57 -0.59 -0.95 116.57 117.75 3gvg h LYS 117 Ca 0.11 -0.13 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 3gvg h LYS 117 Cb 0.63 -0.22 -0.03 0.00 0.08 0.00 0.00 32.23 32.69 3gvg h LYS 117 CO 0.04 0.81 0.32 0.00 -0.57 0.00 0.00 179.45 180.06 3gvg h ALA 118 N 1.23 0.73 -0.48 3.86 0.00 -0.75 0.41 119.26 124.26 3gvg h ALA 118 Ca 0.28 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 3gvg h ALA 118 Cb 0.03 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 3gvg h ALA 118 CO -0.05 0.24 0.22 0.00 0.00 0.00 0.00 179.25 179.66 3gvg h ALA 119 N 1.15 0.63 -0.50 0.00 0.00 -1.02 -1.85 119.26 117.67 3gvg h ALA 119 Ca 0.20 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 3gvg h ALA 119 Cb 0.03 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 3gvg h ALA 119 CO -0.03 0.21 0.05 1.15 0.00 0.00 0.00 179.25 180.62 3gvg h THR 120 N 0.64 1.24 -0.31 0.00 2.02 -0.96 -1.27 112.91 114.26 3gvg h THR 120 Ca 0.16 -0.93 0.02 0.00 0.77 0.00 0.00 66.41 66.44 3gvg h THR 120 Cb 0.15 0.79 -0.03 0.00 -1.74 0.00 0.00 68.15 67.33 3gvg h THR 120 CO -0.02 0.33 0.15 0.00 0.37 0.00 0.00 175.52 176.36 3gvg h ALA 121 N 1.29 0.38 -0.31 6.16 0.00 -0.69 -2.35 119.26 123.73 3gvg h ALA 121 Ca 0.16 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.00 3gvg h ALA 121 Cb 0.39 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 3gvg h ALA 121 CO 0.01 -0.23 -0.12 -0.07 0.00 0.00 0.00 179.25 178.85 3gvg h LEU 122 N 0.32 0.52 -1.66 0.00 3.38 -1.01 -0.98 115.31 115.88 3gvg h LEU 122 Ca 0.13 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 3gvg h LEU 122 Cb 0.05 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 3gvg h LEU 122 CO -0.09 0.67 0.08 0.50 0.09 0.00 0.00 178.44 179.70 3gvg h LYS 123 N 0.49 0.30 -0.59 1.13 3.64 -0.72 -1.09 116.57 119.74 3gvg h LYS 123 Ca 0.09 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 3gvg h LYS 123 Cb 0.50 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.26 3gvg h LYS 123 CO 0.03 0.26 0.00 0.72 -2.27 0.00 0.00 179.45 178.19 3gvg n HIS 124 N -4.44 0.97 -1.01 1.91 8.25 -0.81 -4.93 115.22 115.17 3gvg n HIS 124 Ca 0.00 -0.41 -0.00 0.00 -0.26 0.00 0.00 57.72 57.05 3gvg n HIS 124 Cb 0.12 -0.14 -0.00 0.00 1.12 0.00 0.00 29.99 31.09 3gvg n HIS 124 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3gvg n GLY 125 N 1.01 0.47 3.86 -1.41 0.00 -0.41 -4.72 105.19 103.99 3gvg n GLY 125 Ca 0.18 -0.18 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 3gvg n GLY 125 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gvg s LEU 126 N -0.06 4.23 -0.47 0.99 1.43 -0.44 -4.97 118.68 119.39 3gvg s LEU 126 Ca 0.00 0.98 -0.20 0.00 -1.03 0.00 0.00 54.13 53.88 3gvg s LEU 126 Cb 0.00 -3.53 0.04 0.00 0.03 0.00 0.00 46.19 42.72 3gvg s LEU 126 CO 0.00 -0.01 0.66 -0.89 0.23 0.00 0.00 176.35 176.34 3gvg s THR 127 N -1.69 4.81 0.26 5.49 2.01 -0.03 -3.72 115.64 122.77 3gvg s THR 127 Ca 0.44 -0.07 -0.29 0.00 0.31 0.00 0.00 61.69 62.08 3gvg s THR 127 Cb -0.13 -4.26 -0.09 0.00 0.01 0.00 0.00 72.50 68.03 3gvg s THR 127 CO 0.20 -0.71 1.15 -2.16 -0.69 0.00 0.00 174.62 172.42 3gvg s PRO 128 N 2.85 4.56 -0.62 4.92 0.04 -1.26 -1.76 135.00 143.74 3gvg s PRO 128 Ca 0.21 1.88 -0.16 0.00 0.04 0.00 0.00 61.00 62.97 3gvg s PRO 128 Cb -0.16 -3.19 0.15 0.00 0.04 0.00 0.00 34.50 31.35 3gvg s PRO 128 CO 0.17 0.08 0.59 0.42 0.04 0.00 0.00 177.00 178.29 3gvg s ILE 129 N -0.85 5.27 -0.39 0.56 1.01 0.44 -1.43 121.20 125.81 3gvg s ILE 129 Ca 0.47 -1.69 -0.24 0.00 0.00 0.00 0.00 60.65 59.19 3gvg s ILE 129 Cb -0.33 -4.39 0.01 0.00 0.01 0.00 0.00 42.46 37.77 3gvg s ILE 129 CO 0.41 -0.94 0.83 -0.69 0.00 0.00 0.00 174.94 174.56 3gvg s VAL 130 N 1.35 4.66 -0.11 2.92 1.01 0.11 -1.03 120.40 129.31 3gvg s VAL 130 Ca 0.08 0.88 -0.11 0.00 0.00 0.00 0.00 61.98 62.83 3gvg s VAL 130 Cb -0.25 -4.28 -0.05 0.00 0.00 0.00 0.00 36.38 31.81 3gvg s VAL 130 CO 0.00 -0.54 0.23 0.00 0.00 0.00 0.00 175.10 174.79 3gvg s ILE 132 N -0.53 0.67 0.00 0.00 -4.36 -0.50 -4.63 121.20 111.85 3gvg s ILE 132 Ca 0.16 -1.92 0.00 0.00 -0.26 0.00 0.00 60.65 58.64 3gvg s ILE 132 Cb -0.13 -1.66 0.00 0.00 1.25 0.00 0.00 42.46 41.92 3gvg s ILE 132 CO 0.05 -0.87 0.00 0.61 0.24 0.00 0.00 174.94 174.97 3gvg n GLY 133 N -0.01 2.84 3.88 6.27 0.00 -1.26 -0.14 105.19 116.77 3gvg n GLY 133 Ca -0.12 -0.38 -0.32 0.00 0.00 0.00 0.00 46.02 45.20 3gvg n GLY 133 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3gvg s GLU 134 N -1.74 3.75 0.79 1.61 1.03 -1.25 -4.74 118.70 118.14 3gvg s GLU 134 Ca 0.00 0.15 -0.07 0.00 0.03 0.00 0.00 54.97 55.08 3gvg s GLU 134 Cb 0.00 -2.77 0.13 0.00 -0.80 0.00 0.00 34.13 30.69 3gvg s GLU 134 CO 0.00 0.41 1.10 -1.01 -1.33 0.00 0.00 175.26 174.43 3gvg s HIS 135 N -1.69 1.97 0.19 4.83 3.76 -1.26 -1.71 115.29 121.37 3gvg s HIS 135 Ca 0.43 0.11 -0.13 0.00 -0.15 0.00 0.00 55.06 55.32 3gvg s HIS 135 Cb -0.12 -3.40 0.11 0.00 1.11 0.00 0.00 32.58 30.28 3gvg s HIS 135 CO 0.22 -1.91 1.84 1.25 -0.85 0.00 0.00 174.74 175.29 3gvg h LEU 136 N -0.88 0.63 -0.84 0.89 5.85 -1.83 -2.31 115.31 116.81 3gvg h LEU 136 Ca -0.41 -0.01 0.07 0.00 0.84 0.00 0.00 57.88 58.37 3gvg h LEU 136 Cb 1.27 -0.14 -0.06 0.00 0.37 0.00 0.00 40.66 42.09 3gvg h LEU 136 CO 0.45 0.45 0.51 -0.78 -0.34 0.00 0.00 178.44 178.73 3gvg h ASP 137 N 0.75 0.79 -0.24 1.25 3.58 -1.97 0.43 116.42 121.01 3gvg h ASP 137 Ca 0.22 0.02 -0.08 0.00 0.42 0.00 0.00 57.03 57.62 3gvg h ASP 137 Cb -0.03 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 40.87 3gvg h ASP 137 CO -0.07 0.50 -0.16 0.58 -2.88 0.00 0.00 179.24 177.20 3gvg h VAL 138 N 0.92 1.31 -0.49 2.25 2.07 -1.81 -2.24 116.25 118.25 3gvg h VAL 138 Ca 0.37 -1.28 0.04 0.00 0.82 0.00 0.00 66.70 66.65 3gvg h VAL 138 Cb 0.20 1.62 -0.04 0.00 -1.52 0.00 0.00 31.29 31.55 3gvg h VAL 138 CO -0.19 0.40 0.26 -0.09 0.02 0.00 0.00 177.57 177.97 3gvg h ARG 139 N 0.25 0.50 0.00 1.57 9.65 -1.07 -2.55 114.38 122.74 3gvg h ARG 139 Ca 0.05 -0.03 -0.03 0.00 -1.10 0.00 0.00 59.98 58.87 3gvg h ARG 139 Cb 0.69 -0.11 -0.00 0.00 -1.39 0.00 0.00 29.97 29.16 3gvg h ARG 139 CO 0.04 0.33 -0.13 0.93 2.80 0.00 0.00 179.97 183.95 3gvg h GLU 140 N 0.51 0.00 0.00 0.20 5.08 -0.73 -1.43 114.58 118.21 3gvg h GLU 140 Ca 0.21 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 3gvg h GLU 140 Cb 0.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.34 3gvg h GLU 140 CO -0.13 0.13 0.00 0.00 -1.00 0.00 0.00 179.01 178.01 3gvg n ALA 141 N -2.51 2.02 -1.01 3.43 0.00 -0.86 -4.93 120.51 116.66 3gvg n ALA 141 Ca -0.03 -0.03 -0.00 0.00 0.00 0.00 0.00 53.44 53.39 3gvg n ALA 141 Cb 0.20 -1.40 -0.00 0.00 0.00 0.00 0.00 19.45 18.25 3gvg n ALA 141 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gvg n GLY 142 N 0.79 0.47 1.63 0.00 0.00 -0.54 -4.92 105.19 102.61 3gvg n GLY 142 Ca 0.05 -0.15 0.09 0.00 0.00 0.00 0.00 46.02 46.00 3gvg n GLY 142 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3gvg n ASN 143 N 0.22 4.97 -0.24 1.61 5.03 -1.18 -4.69 115.26 120.98 3gvg n ASN 143 Ca -0.00 -2.59 -0.07 0.00 0.87 0.00 0.00 54.58 52.79 3gvg n ASN 143 Cb 0.03 -0.60 0.04 0.00 -1.02 0.00 0.00 39.78 38.24 3gvg n ASN 143 CO 0.00 0.00 0.00 1.12 -1.83 0.00 0.00 177.26 176.55 3gvg h HIS 144 N 3.94 1.00 0.23 3.10 2.07 -1.87 -1.34 115.15 122.28 3gvg h HIS 144 Ca 0.00 -0.06 -0.01 0.00 -2.85 0.00 0.00 60.37 57.45 3gvg h HIS 144 Cb 1.59 -0.30 0.00 0.00 2.57 0.00 0.00 27.41 31.26 3gvg h HIS 144 CO 0.84 0.76 -0.11 0.28 -3.07 0.00 0.00 177.93 176.62 3gvg h VAL 145 N 0.95 0.79 -0.83 6.12 2.07 -1.96 -1.47 116.25 121.92 3gvg h VAL 145 Ca 0.23 -0.08 0.07 0.00 0.82 0.00 0.00 66.70 67.74 3gvg h VAL 145 Cb 0.15 0.83 -0.06 0.00 -1.52 0.00 0.00 31.29 30.70 3gvg h VAL 145 CO -0.02 0.02 0.51 0.00 0.02 0.00 0.00 177.57 178.09 3gvg h ALA 146 N 0.42 1.15 -0.69 1.67 0.00 -1.90 -1.01 119.26 118.89 3gvg h ALA 146 Ca -0.03 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 3gvg h ALA 146 Cb 0.27 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 3gvg h ALA 146 CO 0.05 0.22 0.38 1.25 0.00 0.00 0.00 179.25 181.15 3gvg h HIS 147 N 0.91 0.96 -0.67 0.00 6.17 -1.10 -1.16 115.15 120.25 3gvg h HIS 147 Ca 0.37 -0.03 -0.06 0.00 0.71 0.00 0.00 60.37 61.36 3gvg h HIS 147 Cb 0.20 -0.30 -0.03 0.00 2.52 0.00 0.00 27.41 29.80 3gvg h HIS 147 CO -0.04 0.68 0.18 -0.91 0.71 0.00 0.00 177.93 178.55 3gvg h ASN 148 N 0.95 1.00 -0.64 3.26 2.35 -0.66 -0.90 115.58 120.95 3gvg h ASN 148 Ca 0.24 -0.23 -0.08 0.00 -0.55 0.00 0.00 56.30 55.69 3gvg h ASN 148 Cb 0.05 -0.26 -0.03 0.00 0.05 0.00 0.00 38.32 38.13 3gvg h ASN 148 CO -0.04 0.97 0.10 0.40 -1.65 0.00 0.00 177.43 177.21 3gvg h ILE 149 N 0.99 1.26 -0.42 2.81 1.08 -0.78 0.74 117.51 123.20 3gvg h ILE 149 Ca 0.21 -1.02 -0.05 0.00 -0.39 0.00 0.00 64.86 63.61 3gvg h ILE 149 Cb 0.35 0.68 -0.02 0.00 -3.07 0.00 0.00 36.82 34.75 3gvg h ILE 149 CO -0.00 0.38 0.07 -0.08 -0.69 0.00 0.00 178.15 177.83 3gvg h GLU 150 N 0.98 0.69 -0.78 2.37 4.57 -1.08 -0.59 114.58 120.73 3gvg h GLU 150 Ca 0.20 -0.18 0.01 0.00 -1.18 0.00 0.00 59.36 58.20 3gvg h GLU 150 Cb 0.44 -0.08 -0.04 0.00 -0.16 0.00 0.00 28.75 28.91 3gvg h GLU 150 CO 0.01 0.72 0.51 0.37 -1.18 0.00 0.00 179.01 179.44 3gvg h GLN 151 N 0.54 1.03 -0.00 1.92 4.15 -0.95 -0.82 115.11 120.97 3gvg h GLN 151 Ca 0.13 -0.07 0.01 0.00 0.77 0.00 0.00 58.65 59.49 3gvg h GLN 151 Cb 0.37 -0.23 -0.01 0.00 0.21 0.00 0.00 27.48 27.81 3gvg h GLN 151 CO 0.01 0.69 -0.05 1.25 -1.93 0.00 0.00 178.83 178.80 3gvg h LEU 152 N 1.06 -0.14 -0.57 -2.39 5.85 -0.61 0.80 115.31 119.31 3gvg h LEU 152 Ca 0.28 0.02 0.06 0.00 0.84 0.00 0.00 57.88 59.08 3gvg h LEU 152 Cb -0.11 0.06 -0.05 0.00 0.37 0.00 0.00 40.66 40.93 3gvg h LEU 152 CO -0.06 -0.07 0.29 0.03 -0.34 0.00 0.00 178.44 178.28 3gvg h ARG 153 N -0.09 0.53 -0.11 1.25 3.08 -0.87 -1.45 114.38 116.72 3gvg h ARG 153 Ca 0.02 -0.03 -0.14 0.00 0.07 0.00 0.00 59.98 59.91 3gvg h ARG 153 Cb 0.12 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 3gvg h ARG 153 CO -0.06 0.35 -0.52 0.78 -1.07 0.00 0.00 179.97 179.45 3gvg h GLY 154 N 0.54 0.33 1.82 0.04 0.00 -1.02 -2.38 103.07 102.40 3gvg h GLY 154 Ca 0.26 -0.37 0.00 0.00 0.00 0.00 0.00 47.33 47.21 3gvg h GLY 154 CO -0.19 0.34 -0.10 1.44 0.00 0.00 0.00 176.54 178.03 3gvg n SER 155 N -3.94 0.20 -0.59 0.19 7.64 0.26 -2.93 113.62 114.45 3gvg n SER 155 Ca -0.02 0.38 0.06 0.00 1.01 0.00 0.00 58.87 60.30 3gvg n SER 155 Cb 0.57 -0.40 0.13 0.00 -1.01 0.00 0.00 64.21 63.49 3gvg n SER 155 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3gvg n LEU 156 N -1.61 2.67 -4.74 -3.43 4.77 -0.59 -3.20 117.00 110.86 3gvg n LEU 156 Ca 0.06 -1.74 -0.41 0.00 -0.03 0.00 0.00 56.01 53.89 3gvg n LEU 156 Cb 0.35 -0.17 0.01 0.00 -2.33 0.00 0.00 43.42 41.28 3gvg n LEU 156 CO 0.29 0.64 1.01 0.00 -1.33 0.00 0.00 177.39 177.99 3gvg n ALA 157 N 0.55 1.79 0.00 -1.18 0.00 -0.91 -1.76 120.51 118.99 3gvg n ALA 157 Ca 0.10 0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.85 3gvg n ALA 157 Cb 0.39 -2.34 0.00 0.00 0.00 0.00 0.00 19.45 17.50 3gvg n ALA 157 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gvg n GLY 158 N 0.64 2.59 3.75 0.00 0.00 -1.26 -4.75 105.19 106.16 3gvg n GLY 158 Ca 0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.66 3gvg n GLY 158 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gvg s LEU 159 N 0.00 4.53 0.63 0.99 1.43 -0.73 -5.07 118.68 120.47 3gvg s LEU 159 Ca 0.00 1.66 -0.13 0.00 -1.03 0.00 0.00 54.13 54.63 3gvg s LEU 159 Cb 0.00 -3.39 -0.02 0.00 0.03 0.00 0.00 46.19 42.81 3gvg s LEU 159 CO 0.00 0.08 1.04 -0.76 0.23 0.00 0.00 176.35 176.94 3gvg s LEU 160 N -0.53 3.31 0.29 1.79 1.43 -1.26 -4.84 118.68 118.86 3gvg s LEU 160 Ca 0.40 1.61 0.04 0.00 -1.03 0.00 0.00 54.13 55.15 3gvg s LEU 160 Cb -0.23 -4.50 0.71 0.00 0.03 0.00 0.00 46.19 42.20 3gvg s LEU 160 CO 0.27 -1.13 1.74 0.00 0.23 0.00 0.00 176.35 177.45 3gvg h ALA 161 N -0.14 1.51 -0.08 4.21 0.00 -1.93 0.12 119.26 122.96 3gvg h ALA 161 Ca -0.45 0.11 -0.12 0.00 0.00 0.00 0.00 54.91 54.45 3gvg h ALA 161 Cb 1.20 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 3gvg h ALA 161 CO 0.59 -0.19 -0.49 1.49 0.00 0.00 0.00 179.25 180.64 3gvg h GLU 162 N 0.58 0.20 -0.11 0.00 4.57 -1.94 -2.65 114.58 115.22 3gvg h GLU 162 Ca 0.55 -0.11 -0.10 0.00 -1.18 0.00 0.00 59.36 58.52 3gvg h GLU 162 Cb 0.94 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.53 3gvg h GLU 162 CO -0.44 0.65 -0.39 1.96 -1.18 0.00 0.00 179.01 179.62 3gvg h GLN 163 N 0.16 0.24 -0.40 1.92 4.20 -1.16 -2.36 115.11 117.71 3gvg h GLN 163 Ca 0.01 -0.11 -0.00 0.00 0.06 0.00 0.00 58.65 58.60 3gvg h GLN 163 Cb 0.93 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.69 3gvg h GLN 163 CO 0.07 0.60 0.23 0.82 -0.67 0.00 0.00 178.83 179.88 3gvg h ILE 164 N 0.21 1.12 0.00 2.54 2.04 -0.96 0.18 117.51 122.64 3gvg h ILE 164 Ca 0.02 -0.27 0.00 0.00 1.00 0.00 0.00 64.86 65.61 3gvg h ILE 164 Cb 0.78 0.57 0.00 0.00 -0.74 0.00 0.00 36.82 37.42 3gvg h ILE 164 CO 0.06 0.12 0.00 0.61 0.00 0.00 0.00 178.15 178.94 3gvg n GLY 165 N -1.39 -0.71 0.78 5.37 0.00 -0.89 -2.28 105.19 106.07 3gvg n GLY 165 Ca 0.03 0.07 0.07 0.00 0.00 0.00 0.00 46.02 46.19 3gvg n GLY 165 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3gvg n SER 166 N -1.81 3.09 -4.86 1.61 7.64 0.05 -4.86 113.62 114.48 3gvg n SER 166 Ca -0.00 -1.97 -0.21 0.00 1.01 0.00 0.00 58.87 57.70 3gvg n SER 166 Cb 0.04 -0.27 -0.03 0.00 -1.01 0.00 0.00 64.21 62.93 3gvg n SER 166 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 3gvg s VAL 167 N -1.01 3.97 0.00 0.44 -7.23 -0.97 -4.43 120.40 111.17 3gvg s VAL 167 Ca 0.28 -1.33 0.05 0.00 -1.81 0.00 0.00 61.98 59.17 3gvg s VAL 167 Cb 0.15 -3.31 -0.03 0.00 0.56 0.00 0.00 36.38 33.75 3gvg s VAL 167 CO 0.19 -0.24 -0.14 -0.69 -0.31 0.00 0.00 175.10 173.92 3gvg s VAL 168 N -2.22 3.10 -0.06 1.32 1.01 -0.52 -4.40 120.40 118.63 3gvg s VAL 168 Ca 0.38 -0.92 -0.01 0.00 0.00 0.00 0.00 61.98 61.43 3gvg s VAL 168 Cb -0.07 -2.28 -0.03 0.00 0.00 0.00 0.00 36.38 33.99 3gvg s VAL 168 CO 0.27 0.44 0.02 -0.63 0.00 0.00 0.00 175.10 175.20 3gvg s ILE 169 N -0.88 4.41 -0.08 2.22 -1.09 -0.68 -0.71 121.20 124.39 3gvg s ILE 169 Ca 0.14 -0.32 0.03 0.00 -2.23 0.00 0.00 60.65 58.27 3gvg s ILE 169 Cb -0.11 -2.90 0.01 0.00 -1.58 0.00 0.00 42.46 37.88 3gvg s ILE 169 CO 0.04 0.52 -0.16 0.00 -1.23 0.00 0.00 174.94 174.11 3gvg s ALA 170 N -0.98 1.61 -0.31 9.38 0.00 0.16 0.34 121.76 131.95 3gvg s ALA 170 Ca 0.16 -0.63 -0.17 0.00 0.00 0.00 0.00 51.96 51.32 3gvg s ALA 170 Cb -0.11 -0.68 -0.02 0.00 0.00 0.00 0.00 23.12 22.31 3gvg s ALA 170 CO 0.06 0.15 0.46 -0.47 0.00 0.00 0.00 175.76 175.95 3gvg s TYR 171 N 0.60 3.22 -0.32 0.00 5.04 -0.11 -1.41 117.35 124.36 3gvg s TYR 171 Ca -0.15 0.29 -0.10 0.00 -2.44 0.00 0.00 57.07 54.67 3gvg s TYR 171 Cb -0.16 -2.77 -0.00 0.00 0.35 0.00 0.00 41.96 39.38 3gvg s TYR 171 CO 0.05 -0.40 0.16 -1.21 -1.34 0.00 0.00 175.55 172.81 3gvg s GLU 172 N 2.25 3.26 -1.32 4.97 2.02 0.80 0.00 118.70 130.69 3gvg s GLU 172 Ca 0.17 -0.77 -0.17 0.00 0.02 0.00 0.00 54.97 54.22 3gvg s GLU 172 Cb -0.16 -3.59 0.03 0.00 0.10 0.00 0.00 34.13 30.51 3gvg s GLU 172 CO 0.11 -0.46 1.94 -0.35 0.02 0.00 0.00 175.26 176.52 3gvg n PRO 173 N 4.99 2.85 0.06 0.39 -0.04 -1.26 -3.91 135.00 138.07 3gvg n PRO 173 Ca -0.13 -2.90 0.06 0.00 -0.04 0.00 0.00 63.50 60.49 3gvg n PRO 173 Cb 0.49 -3.41 0.49 0.00 -0.04 0.00 0.00 33.50 31.03 3gvg n PRO 173 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3gvg h VAL 174 N 5.01 1.05 0.00 0.52 2.07 -1.80 0.18 116.25 123.28 3gvg h VAL 174 Ca 0.47 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 67.86 3gvg h VAL 174 Cb 0.78 0.63 0.00 0.00 -1.52 0.00 0.00 31.29 31.19 3gvg h VAL 174 CO 1.62 0.07 0.32 4.11 0.02 0.00 0.00 177.57 183.71 3gvg h TRP 175 N 0.39 0.00 -0.18 1.57 5.08 -1.56 -1.43 115.95 119.81 3gvg h TRP 175 Ca 0.12 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.09 3gvg h TRP 175 Cb 0.02 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.18 3gvg h TRP 175 CO -0.00 0.00 0.00 0.00 -1.28 0.00 0.00 178.44 177.16 3gvg n ALA 176 N -1.86 2.68 -3.83 0.11 0.00 0.63 -4.52 120.51 113.73 3gvg n ALA 176 Ca -0.02 -2.25 -0.34 0.00 0.00 0.00 0.00 53.44 50.83 3gvg n ALA 176 Cb 0.37 -0.57 -0.13 0.00 0.00 0.00 0.00 19.45 19.12 3gvg n ALA 176 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3gvg s ILE 177 N -2.62 2.83 -0.18 0.00 1.01 -0.54 -4.65 121.20 117.05 3gvg s ILE 177 Ca 0.36 -1.89 0.00 0.00 0.00 0.00 0.00 60.65 59.12 3gvg s ILE 177 Cb 0.29 -2.86 0.00 0.00 0.01 0.00 0.00 42.46 39.90 3gvg s ILE 177 CO 0.07 -0.43 0.00 0.61 0.00 0.00 0.00 174.94 175.19 3gvg n GLY 178 N 4.50 0.53 0.00 6.18 0.00 -1.26 -4.89 105.19 110.25 3gvg n GLY 178 Ca -0.05 -0.41 0.05 0.00 0.00 0.00 0.00 46.02 45.61 3gvg n GLY 178 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3gvg n THR 179 N -2.85 0.00 0.00 2.61 -2.24 -1.26 -4.99 114.28 105.55 3gvg n THR 179 Ca -0.02 -0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.51 3gvg n THR 179 Cb 0.10 0.88 0.00 0.00 -2.10 0.00 0.00 70.33 69.22 3gvg n THR 179 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3gvg n GLY 180 N 1.34 2.07 3.81 3.38 0.00 -1.26 -5.05 105.19 109.48 3gvg n GLY 180 Ca 0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 3gvg n GLY 180 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gvg s ARG 181 N -0.45 3.86 -0.09 1.61 1.81 -1.26 -5.07 118.95 119.36 3gvg s ARG 181 Ca 0.00 1.18 0.03 0.00 -1.72 0.00 0.00 55.73 55.22 3gvg s ARG 181 Cb 0.00 -2.12 0.01 0.00 -0.45 0.00 0.00 34.95 32.39 3gvg s ARG 181 CO 0.00 -0.36 -0.18 0.08 -0.68 0.00 0.00 175.30 174.17 3gvg s VAL 182 N -2.26 1.60 -0.05 3.52 1.01 -1.26 -4.59 120.40 118.37 3gvg s VAL 182 Ca 0.63 -0.74 -0.18 0.00 0.00 0.00 0.00 61.98 61.70 3gvg s VAL 182 Cb -0.13 -1.42 -0.05 0.00 0.00 0.00 0.00 36.38 34.78 3gvg s VAL 182 CO 0.23 0.46 0.49 0.00 0.00 0.00 0.00 175.10 176.28 3gvg s ALA 183 N 0.63 3.54 0.56 5.51 0.00 -1.26 -5.04 121.76 125.71 3gvg s ALA 183 Ca -0.14 -0.14 0.01 0.00 0.00 0.00 0.00 51.96 51.69 3gvg s ALA 183 Cb -0.16 -2.60 0.04 0.00 0.00 0.00 0.00 23.12 20.40 3gvg s ALA 183 CO 0.04 0.18 0.79 -1.54 0.00 0.00 0.00 175.76 175.24 3gvg s SER 184 N -0.09 5.22 0.29 0.00 1.04 -1.26 -4.98 113.70 113.92 3gvg s SER 184 Ca 0.26 -0.01 -0.01 0.00 0.48 0.00 0.00 55.95 56.67 3gvg s SER 184 Cb -0.16 -0.84 0.43 0.00 0.10 0.00 0.00 66.02 65.55 3gvg s SER 184 CO 0.13 -1.19 1.87 0.00 0.98 0.00 0.00 173.24 175.03 3gvg h ALA 185 N 0.02 1.28 -0.58 5.32 0.00 -1.96 -1.82 119.26 121.53 3gvg h ALA 185 Ca -0.42 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.27 3gvg h ALA 185 Cb 1.30 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.82 3gvg h ALA 185 CO 0.52 0.53 0.11 0.00 0.00 0.00 0.00 179.25 180.41 3gvg h ALA 186 N 1.39 1.12 -0.47 0.00 0.00 -1.94 -0.48 119.26 118.88 3gvg h ALA 186 Ca 0.20 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3gvg h ALA 186 Cb 0.17 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3gvg h ALA 186 CO -0.02 0.59 0.24 -0.44 0.00 0.00 0.00 179.25 179.62 3gvg h ASP 187 N 0.87 0.60 -0.31 0.00 3.32 -1.76 -1.17 116.42 117.96 3gvg h ASP 187 Ca 0.18 -0.11 0.02 0.00 0.02 0.00 0.00 57.03 57.14 3gvg h ASP 187 Cb 0.35 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.73 3gvg h ASP 187 CO 0.00 0.54 0.17 0.00 -1.72 0.00 0.00 179.24 178.23 3gvg h ALA 188 N 1.08 0.38 -0.91 3.45 0.00 -0.94 -2.87 119.26 119.46 3gvg h ALA 188 Ca 0.16 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 3gvg h ALA 188 Cb 0.09 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 3gvg h ALA 188 CO -0.02 -0.21 0.53 0.37 0.00 0.00 0.00 179.25 179.92 3gvg h GLN 189 N 0.34 1.24 0.07 0.00 5.75 -0.88 0.06 115.11 121.69 3gvg h GLN 189 Ca 0.13 -0.12 0.01 0.00 -0.15 0.00 0.00 58.65 58.52 3gvg h GLN 189 Cb 0.02 -0.26 -0.02 0.00 1.07 0.00 0.00 27.48 28.30 3gvg h GLN 189 CO -0.07 0.87 -0.15 1.49 -2.65 0.00 0.00 178.83 178.32 3gvg h GLU 190 N 1.25 -0.28 -0.37 1.69 4.81 -1.07 0.07 114.58 120.69 3gvg h GLU 190 Ca 0.32 0.02 -0.09 0.00 -0.13 0.00 0.00 59.36 59.48 3gvg h GLU 190 Cb -0.03 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.40 3gvg h GLU 190 CO -0.06 -0.18 -0.11 0.28 -0.73 0.00 0.00 179.01 178.20 3gvg h VAL 191 N -0.29 1.28 -0.28 0.32 2.07 -1.32 -2.70 116.25 115.33 3gvg h VAL 191 Ca 0.03 -1.20 -0.06 0.00 0.82 0.00 0.00 66.70 66.28 3gvg h VAL 191 Cb 0.31 1.30 -0.02 0.00 -1.52 0.00 0.00 31.29 31.37 3gvg h VAL 191 CO -0.10 0.40 -0.10 0.00 0.02 0.00 0.00 177.57 177.79 3gvg h ALA 193 N 1.47 0.77 -0.38 0.00 0.00 -0.98 -1.66 119.26 118.47 3gvg h ALA 193 Ca 0.08 -0.38 -0.13 0.00 0.00 0.00 0.00 54.91 54.48 3gvg h ALA 193 Cb 0.44 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3gvg h ALA 193 CO 0.02 0.66 -0.28 0.00 0.00 0.00 0.00 179.25 179.65 3gvg h ALA 194 N 0.96 0.78 -0.58 0.00 0.00 -1.03 -1.47 119.26 117.91 3gvg h ALA 194 Ca 0.11 -0.40 0.05 0.00 0.00 0.00 0.00 54.91 54.67 3gvg h ALA 194 Cb 0.76 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.36 3gvg h ALA 194 CO 0.06 0.65 0.31 0.82 0.00 0.00 0.00 179.25 181.09 3gvg h ILE 195 N 0.70 0.96 -0.43 0.00 2.04 -0.60 -0.67 117.51 119.50 3gvg h ILE 195 Ca 0.08 -0.20 -0.12 0.00 1.00 0.00 0.00 64.86 65.62 3gvg h ILE 195 Cb 0.82 0.32 -0.01 0.00 -0.74 0.00 0.00 36.82 37.21 3gvg h ILE 195 CO 0.07 0.11 -0.21 -0.09 0.00 0.00 0.00 178.15 178.02 3gvg h ARG 196 N 0.59 0.87 -0.45 2.37 2.43 -0.98 -0.51 114.38 118.70 3gvg h ARG 196 Ca 0.26 -0.36 0.03 0.00 -0.81 0.00 0.00 59.98 59.10 3gvg h ARG 196 Cb 0.15 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.63 3gvg h ARG 196 CO -0.17 1.00 0.24 -0.22 -1.51 0.00 0.00 179.97 179.32 3gvg h LYS 197 N 0.76 0.47 -0.48 0.20 3.64 -0.92 -0.95 116.57 119.30 3gvg h LYS 197 Ca 0.10 -0.03 -0.13 0.00 -1.27 0.00 0.00 60.65 59.32 3gvg h LYS 197 Cb 0.75 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.45 3gvg h LYS 197 CO 0.06 0.31 -0.23 1.49 -2.27 0.00 0.00 179.45 178.82 3gvg h GLU 198 N 0.49 0.99 -0.45 1.90 4.57 -0.66 -2.24 114.58 119.17 3gvg h GLU 198 Ca 0.19 -0.43 0.05 0.00 -1.18 0.00 0.00 59.36 58.00 3gvg h GLU 198 Cb 0.06 -0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 28.60 3gvg h GLU 198 CO -0.11 1.10 0.30 -0.07 -1.18 0.00 0.00 179.01 179.05 3gvg h LEU 199 N 0.85 0.35 -1.40 1.64 3.38 -0.74 0.20 115.31 119.59 3gvg h LEU 199 Ca 0.11 -0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.04 3gvg h LEU 199 Cb 0.80 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.46 3gvg h LEU 199 CO 0.07 0.23 0.00 0.00 0.09 0.00 0.00 178.44 178.83 3gvg h ALA 200 N 1.75 1.51 0.12 1.53 0.00 -0.57 -0.32 119.26 123.29 3gvg h ALA 200 Ca 0.19 -0.16 -0.23 0.00 0.00 0.00 0.00 54.91 54.72 3gvg h ALA 200 Cb 0.26 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 17.94 3gvg h ALA 200 CO -0.05 0.35 -1.09 0.77 0.00 0.00 0.00 179.25 179.24 3gvg h SER 201 N 0.39 0.41 0.39 0.00 0.02 -0.88 -2.83 113.55 111.04 3gvg h SER 201 Ca 0.09 -0.89 -0.07 0.00 -0.84 0.00 0.00 61.79 60.08 3gvg h SER 201 Cb 0.26 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.65 3gvg h SER 201 CO 0.01 1.49 -0.32 -0.07 -1.14 0.00 0.00 176.83 176.80 3gvg h LEU 202 N -0.37 0.00 0.00 5.07 3.38 -0.67 -3.43 115.31 119.29 3gvg h LEU 202 Ca -0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.75 3gvg h LEU 202 Cb 1.68 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.43 3gvg h LEU 202 CO 0.10 0.32 0.00 0.00 0.09 0.00 0.00 178.44 178.95 3gvg n ALA 203 N -2.44 0.38 -3.45 1.53 0.00 -0.13 -4.55 120.51 111.85 3gvg n ALA 203 Ca -0.02 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.31 3gvg n ALA 203 Cb 0.38 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.80 3gvg n ALA 203 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3gvg s SER 204 N 1.00 -0.51 0.24 0.00 1.04 -1.07 -4.96 113.70 109.45 3gvg s SER 204 Ca 0.00 0.02 -0.05 0.00 0.48 0.00 0.00 55.95 56.40 3gvg s SER 204 Cb 0.00 0.53 0.38 0.00 0.10 0.00 0.00 66.02 67.03 3gvg s SER 204 CO 0.00 -0.85 1.81 -0.65 0.98 0.00 0.00 173.24 174.53 3gvg h PRO 205 N 2.03 0.76 -0.59 4.02 0.11 -1.86 -0.18 132.00 136.29 3gvg h PRO 205 Ca -0.30 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 65.76 3gvg h PRO 205 Cb 1.28 -0.17 -0.03 0.00 0.11 0.00 0.00 31.00 32.20 3gvg h PRO 205 CO 0.36 0.50 0.35 0.00 -0.21 0.00 0.00 178.00 179.00 3gvg h ARG 206 N 0.78 0.80 -0.35 1.05 -0.00 -1.97 -1.42 114.38 113.27 3gvg h ARG 206 Ca 0.39 -0.08 -0.06 0.00 -0.50 0.00 0.00 59.98 59.73 3gvg h ARG 206 Cb 0.34 -0.17 -0.01 0.00 0.00 0.00 0.00 29.97 30.13 3gvg h ARG 206 CO -0.24 0.58 -0.02 0.82 0.00 0.00 0.00 179.97 181.11 3gvg h ILE 207 N 0.79 1.26 -0.68 2.04 2.04 -1.84 -3.08 117.51 118.05 3gvg h ILE 207 Ca 0.21 -1.03 0.04 0.00 1.00 0.00 0.00 64.86 65.08 3gvg h ILE 207 Cb -0.01 1.23 -0.04 0.00 -0.74 0.00 0.00 36.82 37.27 3gvg h ILE 207 CO -0.04 0.34 0.45 0.00 0.00 0.00 0.00 178.15 178.90 3gvg h ALA 208 N 0.85 1.64 0.00 1.87 0.00 -0.75 -0.67 119.26 122.20 3gvg h ALA 208 Ca 0.10 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3gvg h ALA 208 Cb 0.49 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3gvg h ALA 208 CO 0.02 0.28 0.00 -0.25 0.00 0.00 0.00 179.25 179.30 3gvg n ASP 209 N -4.46 0.16 0.01 0.00 8.00 -0.56 -2.60 116.55 117.10 3gvg n ASP 209 Ca 0.09 0.53 0.11 0.00 0.71 0.00 0.00 54.79 56.23 3gvg n ASP 209 Cb 0.15 -0.57 -0.08 0.00 -0.02 0.00 0.00 41.12 40.60 3gvg n ASP 209 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 3gvg n THR 210 N -1.67 0.06 -2.75 -3.53 -2.24 -0.27 -4.77 114.28 99.12 3gvg n THR 210 Ca 0.04 -0.23 -0.42 0.00 -2.27 0.00 0.00 64.05 61.17 3gvg n THR 210 Cb 0.22 0.43 -0.03 0.00 -2.10 0.00 0.00 70.33 68.84 3gvg n THR 210 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3gvg s VAL 211 N -3.22 4.82 -0.06 2.28 1.01 -1.07 -5.00 120.40 119.16 3gvg s VAL 211 Ca 0.02 1.94 -0.30 0.00 0.00 0.00 0.00 61.98 63.64 3gvg s VAL 211 Cb 0.15 -4.27 -0.03 0.00 0.00 0.00 0.00 36.38 32.23 3gvg s VAL 211 CO 0.86 0.03 1.13 -0.13 0.00 0.00 0.00 175.10 176.99 3gvg s ARG 212 N 1.89 4.39 -0.27 2.72 0.52 -1.26 -4.97 118.95 121.97 3gvg s ARG 212 Ca 0.46 1.57 -0.01 0.00 -0.52 0.00 0.00 55.73 57.24 3gvg s ARG 212 Cb -0.18 -3.54 0.04 0.00 0.52 0.00 0.00 34.95 31.79 3gvg s ARG 212 CO 0.18 -0.38 -0.06 0.08 0.02 0.00 0.00 175.30 175.14 3gvg s VAL 213 N 2.03 2.72 0.14 3.52 1.01 -1.26 -1.69 120.40 126.88 3gvg s VAL 213 Ca 0.53 -1.28 -0.00 0.00 0.00 0.00 0.00 61.98 61.23 3gvg s VAL 213 Cb -0.23 -2.48 -0.04 0.00 0.00 0.00 0.00 36.38 33.63 3gvg s VAL 213 CO 0.21 0.06 0.30 -0.76 0.00 0.00 0.00 175.10 174.92 3gvg s LEU 214 N 1.25 4.30 -0.08 3.92 1.43 0.15 -0.82 118.68 128.84 3gvg s LEU 214 Ca -0.03 0.33 -0.21 0.00 -1.03 0.00 0.00 54.13 53.18 3gvg s LEU 214 Cb -0.18 -3.06 -0.04 0.00 0.03 0.00 0.00 46.19 42.94 3gvg s LEU 214 CO -0.04 0.06 0.59 -0.47 0.23 0.00 0.00 176.35 176.73 3gvg s TYR 215 N -1.69 3.57 -0.17 0.29 5.04 -0.47 -0.94 117.35 122.98 3gvg s TYR 215 Ca 0.37 1.09 0.14 0.00 -2.44 0.00 0.00 57.07 56.23 3gvg s TYR 215 Cb -0.12 -2.67 0.42 0.00 0.35 0.00 0.00 41.96 39.95 3gvg s TYR 215 CO 0.28 0.16 1.21 0.41 -1.34 0.00 0.00 175.55 176.27 3gvg n GLY 216 N 3.07 4.28 0.00 8.97 0.00 0.10 -1.03 105.19 120.58 3gvg n GLY 216 Ca -0.04 -1.26 0.00 0.00 0.00 0.00 0.00 46.02 44.72 3gvg n GLY 216 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gvg n GLY 217 N -0.76 0.87 3.63 -0.02 0.00 -1.25 -4.59 105.19 103.07 3gvg n GLY 217 Ca 0.17 -1.79 -0.43 0.00 0.00 0.00 0.00 46.02 43.98 3gvg n GLY 217 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3gvg s SER 218 N -1.00 6.36 -0.12 1.61 0.15 -1.26 -4.67 113.70 114.77 3gvg s SER 218 Ca 0.00 1.66 0.03 0.00 0.70 0.00 0.00 55.95 58.34 3gvg s SER 218 Cb 0.00 -2.53 0.01 0.00 -1.71 0.00 0.00 66.02 61.78 3gvg s SER 218 CO 0.00 -1.27 -0.23 -0.69 1.20 0.00 0.00 173.24 172.25 3gvg s VAL 219 N 5.25 2.04 0.33 4.45 1.01 -1.26 -4.98 120.40 127.24 3gvg s VAL 219 Ca 0.73 -0.99 -0.04 0.00 0.00 0.00 0.00 61.98 61.68 3gvg s VAL 219 Cb -0.26 -1.78 0.00 0.00 0.00 0.00 0.00 36.38 34.34 3gvg s VAL 219 CO 0.30 0.55 0.48 0.54 0.00 0.00 0.00 175.10 176.97 3gvg s ASN 220 N 0.60 0.75 0.53 3.32 2.20 -1.26 -4.61 114.94 116.46 3gvg s ASN 220 Ca -0.13 -1.41 0.27 0.00 -0.94 0.00 0.00 52.86 50.66 3gvg s ASN 220 Cb -0.17 0.66 1.47 0.00 -2.00 0.00 0.00 41.25 41.22 3gvg s ASN 220 CO 0.03 -1.29 2.08 0.00 -2.94 0.00 0.00 177.10 174.98 3gvg h ALA 221 N 2.13 1.30 0.00 3.54 0.00 -1.97 -0.91 119.26 123.36 3gvg h ALA 221 Ca -0.28 -0.10 -0.15 0.00 0.00 0.00 0.00 54.91 54.37 3gvg h ALA 221 Cb 1.24 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 3gvg h ALA 221 CO 0.39 0.14 -0.72 0.87 0.00 0.00 0.00 179.25 179.92 3gvg h LYS 222 N 0.00 0.00 -0.00 0.00 1.57 -2.01 -3.37 116.57 112.75 3gvg h LYS 222 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3gvg h LYS 222 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.62 3gvg h LYS 222 CO 0.01 0.72 -0.08 0.27 -0.57 0.00 0.00 179.45 179.81 3gvg n ASN 223 N -3.56 0.52 -0.08 0.86 0.23 -0.89 -4.75 115.26 107.59 3gvg n ASN 223 Ca -0.00 -0.76 -0.02 0.00 -0.53 0.00 0.00 54.58 53.26 3gvg n ASN 223 Cb 0.73 0.64 0.21 0.00 -2.08 0.00 0.00 39.78 39.29 3gvg n ASN 223 CO 0.00 0.00 0.00 1.62 -0.93 0.00 0.00 177.26 177.95 3gvg h VAL 224 N 0.20 1.22 -0.72 3.53 3.04 -1.36 -2.23 116.25 119.95 3gvg h VAL 224 Ca 0.00 -0.88 -0.06 0.00 -1.01 0.00 0.00 66.70 64.75 3gvg h VAL 224 Cb 0.08 0.85 -0.03 0.00 -2.01 0.00 0.00 31.29 30.18 3gvg h VAL 224 CO 0.00 0.31 0.22 1.23 -1.01 0.00 0.00 177.57 178.32 3gvg h GLY 225 N 0.93 1.20 1.08 3.17 0.00 -1.85 -1.07 103.07 106.53 3gvg h GLY 225 Ca 0.14 -0.71 -0.11 0.00 0.00 0.00 0.00 47.33 46.64 3gvg h GLY 225 CO 0.01 0.67 -0.12 -0.55 0.00 0.00 0.00 176.54 176.55 3gvg h ASP 226 N 1.06 1.00 0.15 0.19 3.32 -1.78 -1.80 116.42 118.56 3gvg h ASP 226 Ca 0.23 -0.36 -0.01 0.00 0.02 0.00 0.00 57.03 56.92 3gvg h ASP 226 Cb 0.31 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.59 3gvg h ASP 226 CO -0.01 1.13 -0.07 0.40 -1.72 0.00 0.00 179.24 178.97 3gvg h ILE 227 N 0.86 0.91 0.00 0.35 2.04 -1.06 -3.12 117.51 117.50 3gvg h ILE 227 Ca 0.13 -0.26 0.00 0.00 1.00 0.00 0.00 64.86 65.73 3gvg h ILE 227 Cb 0.68 1.08 0.00 0.00 -0.74 0.00 0.00 36.82 37.84 3gvg h ILE 227 CO 0.05 0.06 0.00 -0.37 0.00 0.00 0.00 178.15 177.89 3gvg h VAL 228 N -0.33 0.00 0.00 1.67 -1.51 -1.17 -2.70 116.25 112.22 3gvg h VAL 228 Ca -0.02 -0.34 -0.03 0.00 -1.23 0.00 0.00 66.70 65.09 3gvg h VAL 228 Cb 0.26 1.16 -0.00 0.00 -2.13 0.00 0.00 31.29 30.57 3gvg h VAL 228 CO 0.03 0.00 -0.12 0.00 -1.23 0.00 0.00 177.57 176.25 3gvg h ALA 229 N 2.26 1.02 -2.68 5.19 0.00 -1.26 -3.45 119.26 120.34 3gvg h ALA 229 Ca 0.00 -0.11 -0.51 0.00 0.00 0.00 0.00 54.91 54.29 3gvg h ALA 229 Cb 0.47 -0.02 0.07 0.00 0.00 0.00 0.00 17.79 18.31 3gvg h ALA 229 CO 0.00 0.15 0.47 -0.65 0.00 0.00 0.00 179.25 179.22 3gvg s GLN 230 N -3.67 3.54 0.27 0.00 -1.52 -1.02 -4.92 119.66 112.35 3gvg s GLN 230 Ca 0.01 1.74 -0.00 0.00 -1.95 0.00 0.00 55.36 55.16 3gvg s GLN 230 Cb 0.10 -2.23 0.51 0.00 -0.22 0.00 0.00 33.01 31.17 3gvg s GLN 230 CO 0.60 -0.73 1.83 -0.44 -0.25 0.00 0.00 175.29 176.30 3gvg h ASP 231 N 1.65 0.85 -0.32 5.90 3.32 -1.90 -2.85 116.42 123.07 3gvg h ASP 231 Ca -0.50 0.05 0.00 0.00 0.02 0.00 0.00 57.03 56.60 3gvg h ASP 231 Cb 1.26 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.69 3gvg h ASP 231 CO 0.59 0.46 0.00 0.47 -1.72 0.00 0.00 179.24 179.04 3gvg n ASP 232 N -4.66 2.94 -4.56 6.45 8.00 -1.26 -4.93 116.55 118.53 3gvg n ASP 232 Ca 0.17 -2.09 -0.35 0.00 0.71 0.00 0.00 54.79 53.24 3gvg n ASP 232 Cb 0.33 -0.24 -0.11 0.00 -0.02 0.00 0.00 41.12 41.08 3gvg n ASP 232 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3gvg s VAL 233 N -1.15 4.55 -0.38 2.53 1.01 -1.08 -4.66 120.40 121.22 3gvg s VAL 233 Ca 0.23 -0.11 0.12 0.00 0.00 0.00 0.00 61.98 62.23 3gvg s VAL 233 Cb 0.13 -3.07 0.33 0.00 0.00 0.00 0.00 36.38 33.78 3gvg s VAL 233 CO 0.14 0.43 1.26 0.47 0.00 0.00 0.00 175.10 177.39 3gvg n ASP 234 N 3.95 3.03 0.00 3.32 8.00 -0.00 -4.63 116.55 130.22 3gvg n ASP 234 Ca -0.16 -2.54 0.00 0.00 0.71 0.00 0.00 54.79 52.80 3gvg n ASP 234 Cb 0.52 -0.34 0.00 0.00 -0.02 0.00 0.00 41.12 41.28 3gvg n ASP 234 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3gvg n GLY 235 N -0.32 0.69 3.01 0.44 0.00 -1.26 -1.13 105.19 106.62 3gvg n GLY 235 Ca 0.14 -1.68 -0.12 0.00 0.00 0.00 0.00 46.02 44.36 3gvg n GLY 235 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3gvg s GLY 236 N 0.00 0.00 -0.56 -0.02 0.00 -0.59 -1.37 107.32 104.78 3gvg s GLY 236 Ca 0.00 0.05 -0.13 0.00 0.00 0.00 0.00 44.72 44.64 3gvg s GLY 236 CO 0.00 -0.02 0.49 -2.27 0.00 0.00 0.00 173.10 171.30 3gvg s LEU 237 N -0.53 6.09 0.01 0.66 2.96 -0.20 -1.25 118.68 126.42 3gvg s LEU 237 Ca -0.06 -2.00 -0.18 0.00 -0.22 0.00 0.00 54.13 51.67 3gvg s LEU 237 Cb -0.04 -2.13 -0.06 0.00 0.50 0.00 0.00 46.19 44.46 3gvg s LEU 237 CO 0.00 -0.75 0.52 -0.69 -1.32 0.00 0.00 176.35 174.11 3gvg s VAL 238 N 1.25 4.91 0.00 1.68 1.01 -0.15 -4.38 120.40 124.72 3gvg s VAL 238 Ca 0.07 1.08 0.00 0.00 0.00 0.00 0.00 61.98 63.13 3gvg s VAL 238 Cb -0.26 -3.84 0.00 0.00 0.00 0.00 0.00 36.38 32.28 3gvg s VAL 238 CO -0.00 0.51 0.00 0.61 0.00 0.00 0.00 175.10 176.22 3gvg n GLY 239 N 2.08 0.91 0.28 4.51 0.00 -1.26 -0.60 105.19 111.10 3gvg n GLY 239 Ca -0.10 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.01 3gvg n GLY 239 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3gvg h GLY 240 N 0.00 0.00 2.00 -0.02 0.00 -1.91 0.13 103.07 103.27 3gvg h GLY 240 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3gvg h GLY 240 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.54 3gvg h ALA 241 N 1.97 1.00 0.00 3.60 0.00 -1.90 -2.17 119.26 121.75 3gvg h ALA 241 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3gvg h ALA 241 Cb 0.13 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3gvg h ALA 241 CO -0.00 0.00 0.00 0.66 0.00 0.00 0.00 179.25 179.91 3gvg h SER 242 N 0.00 0.00 0.44 0.00 4.64 -1.00 -2.94 113.55 114.69 3gvg h SER 242 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3gvg h SER 242 Cb 0.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 3gvg h SER 242 CO 0.00 0.00 -0.21 0.18 -0.87 0.00 0.00 176.83 175.93 3gvg n LEU 243 N -2.66 0.54 -4.22 5.97 4.77 -0.82 -4.64 117.00 115.93 3gvg n LEU 243 Ca 0.01 0.01 -0.35 0.00 -0.03 0.00 0.00 56.01 55.65 3gvg n LEU 243 Cb 0.23 -0.22 -0.14 0.00 -2.33 0.00 0.00 43.42 40.96 3gvg n LEU 243 CO 0.22 0.11 -0.38 -0.62 -1.33 0.00 0.00 177.39 175.39 3gvg s ASP 244 N -2.65 4.51 0.18 -1.43 -1.08 -1.11 -5.01 116.67 110.07 3gvg s ASP 244 Ca 0.22 -0.89 -0.13 0.00 -0.52 0.00 0.00 52.55 51.23 3gvg s ASP 244 Cb 0.19 -1.70 0.08 0.00 -1.46 0.00 0.00 42.92 40.03 3gvg s ASP 244 CO 0.54 -0.15 1.82 1.23 0.52 0.00 0.00 175.17 179.12 3gvg h GLY 245 N 8.04 0.85 1.00 2.66 0.00 -1.85 0.76 103.07 114.53 3gvg h GLY 245 Ca -0.31 -0.35 -0.06 0.00 0.00 0.00 0.00 47.33 46.61 3gvg h GLY 245 CO 0.57 0.34 0.10 0.83 0.00 0.00 0.00 176.54 178.38 3gvg h GLU 246 N 0.79 0.87 -0.35 4.80 5.08 -1.94 -1.72 114.58 122.10 3gvg h GLU 246 Ca 0.21 -0.23 -0.04 0.00 -1.00 0.00 0.00 59.36 58.31 3gvg h GLU 246 Cb -0.03 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 3gvg h GLU 246 CO -0.04 0.84 0.08 0.45 -1.00 0.00 0.00 179.01 179.34 3gvg h HIS 247 N 0.76 0.60 -0.47 4.33 3.86 -1.77 -1.00 115.15 121.45 3gvg h HIS 247 Ca 0.16 -0.08 -0.02 0.00 -1.16 0.00 0.00 60.37 59.28 3gvg h HIS 247 Cb 0.39 -0.17 -0.02 0.00 1.06 0.00 0.00 27.41 28.67 3gvg h HIS 247 CO 0.03 0.61 0.23 0.35 0.86 0.00 0.00 177.93 180.00 3gvg h PHE 248 N 0.42 0.68 -0.90 2.45 3.57 -0.83 -1.12 116.94 121.21 3gvg h PHE 248 Ca 0.11 -0.03 0.06 0.00 3.53 0.00 0.00 57.97 61.64 3gvg h PHE 248 Cb 0.32 -0.21 -0.06 0.00 2.79 0.00 0.00 35.95 38.79 3gvg h PHE 248 CO 0.02 0.55 0.57 0.00 -2.23 0.00 0.00 178.31 177.21 3gvg h ALA 249 N 1.07 1.24 -0.63 2.41 0.00 -1.14 -2.11 119.26 120.11 3gvg h ALA 249 Ca 0.16 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3gvg h ALA 249 Cb 0.12 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 3gvg h ALA 249 CO -0.02 0.33 0.41 1.15 0.00 0.00 0.00 179.25 181.12 3gvg h THR 250 N 1.03 1.17 -0.38 0.00 2.02 -0.61 -0.82 112.91 115.32 3gvg h THR 250 Ca 0.39 -0.33 0.04 0.00 0.77 0.00 0.00 66.41 67.28 3gvg h THR 250 Cb 0.16 0.26 -0.04 0.00 -1.74 0.00 0.00 68.15 66.80 3gvg h THR 250 CO -0.17 0.17 0.14 -0.07 0.37 0.00 0.00 175.52 175.95 3gvg h LEU 251 N 0.85 0.15 -0.62 2.58 3.38 -0.61 -1.40 115.31 119.64 3gvg h LEU 251 Ca 0.23 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.24 3gvg h LEU 251 Cb -0.08 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 3gvg h LEU 251 CO -0.05 0.12 0.37 0.00 0.09 0.00 0.00 178.44 178.98 3gvg h ALA 252 N 1.24 0.79 -0.76 1.53 0.00 -1.02 -0.49 119.26 120.55 3gvg h ALA 252 Ca 0.17 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3gvg h ALA 252 Cb 0.15 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 3gvg h ALA 252 CO -0.17 0.27 0.43 0.00 0.00 0.00 0.00 179.25 179.78 3gvg h ALA 253 N 1.19 0.97 -0.19 0.00 0.00 -0.70 -0.97 119.26 119.57 3gvg h ALA 253 Ca 0.22 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 3gvg h ALA 253 Cb -0.02 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 3gvg h ALA 253 CO -0.04 0.48 0.02 0.82 0.00 0.00 0.00 179.25 180.52 3gvg h ILE 254 N 1.05 1.23 0.00 0.00 2.04 -1.08 -2.51 117.51 118.25 3gvg h ILE 254 Ca 0.27 -0.78 -0.00 0.00 1.00 0.00 0.00 64.86 65.35 3gvg h ILE 254 Cb 0.02 1.39 -0.00 0.00 -0.74 0.00 0.00 36.82 37.49 3gvg h ILE 254 CO -0.04 0.24 -0.01 0.00 0.00 0.00 0.00 178.15 178.33 3gvg h ALA 255 N 0.81 1.66 0.00 1.87 0.00 -0.77 -1.57 119.26 121.26 3gvg h ALA 255 Ca 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3gvg h ALA 255 Cb 0.34 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3gvg h ALA 255 CO 0.01 0.01 -0.15 0.00 0.00 0.00 0.00 179.25 179.11 3gvg h ALA 256 N 1.99 0.92 0.00 0.00 0.00 -0.76 -3.47 119.26 117.94 3gvg h ALA 256 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3gvg h ALA 256 Cb 0.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3gvg h ALA 256 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66