#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vhq s LYS 6 N 0.00 2.90 -0.30 1.97 1.02 -1.26 -0.63 119.74 123.45 1vhq s LYS 6 Ca 0.00 -0.97 -0.07 0.00 0.02 0.00 0.00 55.97 54.95 1vhq s LYS 6 Cb 0.00 -3.30 0.01 0.00 -0.52 0.00 0.00 37.83 34.02 1vhq s LYS 6 CO 0.00 -0.49 0.09 0.42 -0.92 0.00 0.00 175.35 174.45 1vhq s ILE 7 N 1.43 4.04 0.14 2.17 -1.09 0.17 -0.26 121.20 127.80 1vhq s ILE 7 Ca 0.01 -0.66 -0.30 0.00 -2.23 0.00 0.00 60.65 57.47 1vhq s ILE 7 Cb -0.18 -3.08 -0.07 0.00 -1.58 0.00 0.00 42.46 37.56 1vhq s ILE 7 CO 0.01 0.08 1.05 -0.83 -1.23 0.00 0.00 174.94 174.01 1vhq s GLY 8 N 1.51 2.88 -0.17 6.18 0.00 -0.31 -0.81 107.32 116.61 1vhq s GLY 8 Ca 0.03 0.71 0.01 0.00 0.00 0.00 0.00 44.72 45.46 1vhq s GLY 8 CO 0.03 1.60 -0.17 0.14 0.00 0.00 0.00 173.10 174.70 1vhq s VAL 9 N -0.01 1.84 -0.25 1.40 1.01 -0.30 -0.45 120.40 123.63 1vhq s VAL 9 Ca 0.49 -0.84 -0.08 0.00 0.00 0.00 0.00 61.98 61.55 1vhq s VAL 9 Cb -0.27 -1.71 -0.04 0.00 0.00 0.00 0.00 36.38 34.37 1vhq s VAL 9 CO 0.32 0.47 0.10 -0.63 0.00 0.00 0.00 175.10 175.36 1vhq s ILE 10 N 1.37 4.66 0.39 2.22 -1.09 -0.66 -1.15 121.20 126.94 1vhq s ILE 10 Ca 0.04 -0.06 0.08 0.00 -2.23 0.00 0.00 60.65 58.48 1vhq s ILE 10 Cb -0.13 -3.18 -0.01 0.00 -1.58 0.00 0.00 42.46 37.56 1vhq s ILE 10 CO -0.12 0.34 0.41 -0.76 -1.23 0.00 0.00 174.94 173.58 1vhq s LEU 11 N 1.44 3.56 -0.01 2.97 1.43 0.29 -4.06 118.68 124.30 1vhq s LEU 11 Ca 0.06 -0.55 0.01 0.00 -1.03 0.00 0.00 54.13 52.62 1vhq s LEU 11 Cb -0.15 -2.30 0.02 0.00 0.03 0.00 0.00 46.19 43.79 1vhq s LEU 11 CO 0.05 -0.58 0.77 -1.54 0.23 0.00 0.00 176.35 175.29 1vhq n SER 12 N -1.58 0.30 0.00 2.29 3.41 -1.26 -4.31 113.62 112.47 1vhq n SER 12 Ca 0.03 -1.60 0.00 0.00 -0.26 0.00 0.00 58.87 57.04 1vhq n SER 12 Cb 0.60 -0.10 0.00 0.00 -0.26 0.00 0.00 64.21 64.45 1vhq n SER 12 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1vhq n GLY 13 N -0.13 0.98 2.60 5.00 0.00 -1.26 -4.30 105.19 108.08 1vhq n GLY 13 Ca 0.01 -1.90 -0.28 0.00 0.00 0.00 0.00 46.02 43.85 1vhq n GLY 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vhq n GLY 15 N 3.20 4.56 0.30 0.00 0.00 0.14 -4.85 105.19 108.53 1vhq n GLY 15 Ca 0.17 -0.72 0.10 0.00 0.00 0.00 0.00 46.02 45.58 1vhq n GLY 15 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1vhq h VAL 16 N 0.00 0.27 0.00 1.61 3.04 -1.78 0.18 116.25 119.57 1vhq h VAL 16 Ca 0.00 -0.05 0.00 0.00 -1.01 0.00 0.00 66.70 65.64 1vhq h VAL 16 Cb 0.00 0.13 0.00 0.00 -2.01 0.00 0.00 31.29 29.41 1vhq h VAL 16 CO 0.00 0.02 0.00 1.88 -1.01 0.00 0.00 177.57 178.46 1vhq h TYR 17 N 0.13 0.00 0.00 3.17 0.05 -1.95 0.35 116.97 118.72 1vhq h TYR 17 Ca 0.51 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.29 1vhq h TYR 17 Cb 0.98 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.72 1vhq h TYR 17 CO -0.37 0.00 0.00 -0.40 -1.05 0.00 0.00 178.16 176.34 1vhq n ASP 18 N -2.78 0.32 0.00 3.88 5.68 -0.99 -4.63 116.55 118.03 1vhq n ASP 18 Ca 0.04 -1.09 0.00 0.00 -0.50 0.00 0.00 54.79 53.24 1vhq n ASP 18 Cb 0.48 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.46 1vhq n ASP 18 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1vhq n GLY 19 N -0.05 3.88 3.77 6.12 0.00 0.59 -4.51 105.19 114.99 1vhq n GLY 19 Ca 0.00 -0.50 -0.39 0.00 0.00 0.00 0.00 46.02 45.13 1vhq n GLY 19 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1vhq s SER 20 N 1.81 7.49 -0.18 1.61 0.01 -1.12 -0.56 113.70 122.76 1vhq s SER 20 Ca 0.00 1.88 -0.29 0.00 1.31 0.00 0.00 55.95 58.85 1vhq s SER 20 Cb 0.00 -2.59 -0.04 0.00 0.21 0.00 0.00 66.02 63.60 1vhq s SER 20 CO 0.00 0.06 1.88 -0.70 0.41 0.00 0.00 173.24 174.89 1vhq s GLU 21 N -1.58 3.62 0.16 12.44 -6.30 -0.48 -0.69 118.70 125.86 1vhq s GLU 21 Ca 0.45 1.92 -0.16 0.00 -2.50 0.00 0.00 54.97 54.68 1vhq s GLU 21 Cb -0.22 -4.18 0.07 0.00 0.00 0.00 0.00 34.13 29.80 1vhq s GLU 21 CO 0.28 -1.53 1.75 0.82 0.02 0.00 0.00 175.26 176.60 1vhq h ILE 22 N 6.41 0.89 -0.59 -3.70 2.04 -1.91 -0.17 117.51 120.49 1vhq h ILE 22 Ca -0.39 -0.10 -0.02 0.00 1.00 0.00 0.00 64.86 65.36 1vhq h ILE 22 Cb 1.20 0.57 -0.03 0.00 -0.74 0.00 0.00 36.82 37.82 1vhq h ILE 22 CO 0.98 0.05 0.31 0.45 0.00 0.00 0.00 178.15 179.94 1vhq h HIS 23 N 0.29 0.83 -0.71 1.37 3.86 -1.99 -1.92 115.15 116.89 1vhq h HIS 23 Ca 0.17 -0.03 -0.04 0.00 -1.16 0.00 0.00 60.37 59.32 1vhq h HIS 23 Cb 0.15 -0.26 -0.03 0.00 1.06 0.00 0.00 27.41 28.32 1vhq h HIS 23 CO -0.14 0.62 0.30 0.93 0.86 0.00 0.00 177.93 180.49 1vhq h GLU 24 N 0.80 1.05 -0.20 2.45 5.08 -1.86 0.80 114.58 122.70 1vhq h GLU 24 Ca 0.21 -0.18 -0.02 0.00 -1.00 0.00 0.00 59.36 58.36 1vhq h GLU 24 Cb 0.08 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 1vhq h GLU 24 CO -0.03 0.85 0.03 0.00 -1.00 0.00 0.00 179.01 178.87 1vhq h ALA 25 N 1.14 0.27 -0.56 3.43 0.00 -0.90 -1.34 119.26 121.30 1vhq h ALA 25 Ca 0.24 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 1vhq h ALA 25 Cb 0.19 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1vhq h ALA 25 CO -0.02 -0.06 0.02 0.28 0.00 0.00 0.00 179.25 179.46 1vhq h VAL 26 N 0.13 1.26 -0.14 0.00 2.07 -1.23 -1.24 116.25 117.09 1vhq h VAL 26 Ca 0.06 -1.07 -0.11 0.00 0.82 0.00 0.00 66.70 66.40 1vhq h VAL 26 Cb 0.31 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 30.87 1vhq h VAL 26 CO 0.00 0.39 -0.39 -0.07 0.02 0.00 0.00 177.57 177.52 1vhq h LEU 27 N 0.88 0.32 -0.35 2.57 3.38 -0.72 0.12 115.31 121.50 1vhq h LEU 27 Ca 0.17 -0.13 -0.05 0.00 0.09 0.00 0.00 57.88 57.95 1vhq h LEU 27 Cb 0.49 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 1vhq h LEU 27 CO 0.02 0.68 0.01 0.74 0.09 0.00 0.00 178.44 179.99 1vhq h THR 28 N 0.26 1.25 -0.62 0.22 2.02 -0.91 -1.54 112.91 113.59 1vhq h THR 28 Ca 0.03 -0.95 -0.06 0.00 0.77 0.00 0.00 66.41 66.20 1vhq h THR 28 Cb 0.81 1.19 -0.03 0.00 -1.74 0.00 0.00 68.15 68.38 1vhq h THR 28 CO 0.06 0.31 0.15 -0.07 0.37 0.00 0.00 175.52 176.34 1vhq h LEU 29 N 0.42 0.91 -0.21 2.58 3.38 -0.74 -1.66 115.31 120.00 1vhq h LEU 29 Ca 0.10 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 1vhq h LEU 29 Cb 0.44 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 1vhq h LEU 29 CO 0.02 0.89 0.10 0.25 0.09 0.00 0.00 178.44 179.79 1vhq h LEU 30 N 0.93 0.26 -0.46 1.67 5.85 -0.59 -1.35 115.31 121.62 1vhq h LEU 30 Ca 0.20 -0.11 0.01 0.00 0.84 0.00 0.00 57.88 58.81 1vhq h LEU 30 Cb 0.34 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.28 1vhq h LEU 30 CO 0.00 0.30 0.30 0.00 -0.34 0.00 0.00 178.44 178.70 1vhq h ALA 31 N 0.98 0.58 -0.19 1.25 0.00 -1.11 0.12 119.26 120.88 1vhq h ALA 31 Ca 0.07 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.99 1vhq h ALA 31 Cb 0.10 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 1vhq h ALA 31 CO -0.01 0.03 -0.02 0.82 0.00 0.00 0.00 179.25 180.07 1vhq h ILE 32 N 0.62 0.84 -0.02 0.00 2.04 -1.15 -2.30 117.51 117.54 1vhq h ILE 32 Ca 0.17 -0.01 -0.00 0.00 1.00 0.00 0.00 64.86 66.02 1vhq h ILE 32 Cb -0.07 0.80 -0.00 0.00 -0.74 0.00 0.00 36.82 36.81 1vhq h ILE 32 CO -0.04 0.01 0.01 -1.28 0.00 0.00 0.00 178.15 176.84 1vhq h SER 33 N 0.03 0.02 -0.68 1.72 0.87 -0.96 -2.10 113.55 112.46 1vhq h SER 33 Ca 0.09 -0.14 0.15 0.00 -1.23 0.00 0.00 61.79 60.65 1vhq h SER 33 Cb 0.13 -0.01 -0.04 0.00 -0.44 0.00 0.00 62.40 62.04 1vhq h SER 33 CO -0.17 0.16 0.46 0.03 -0.53 0.00 0.00 176.83 176.78 1vhq h ARG 34 N -0.12 0.29 -0.00 2.24 3.08 -0.71 -1.82 114.38 117.35 1vhq h ARG 34 Ca 0.01 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1vhq h ARG 34 Cb 0.14 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.13 1vhq h ARG 34 CO -0.00 0.19 -0.02 0.43 -1.07 0.00 0.00 179.97 179.50 1vhq n SER 35 N -4.45 0.38 -0.03 7.04 7.64 -0.87 -4.93 113.62 118.40 1vhq n SER 35 Ca 0.13 -0.94 -0.00 0.00 1.01 0.00 0.00 58.87 59.06 1vhq n SER 35 Cb 0.54 -0.04 -0.00 0.00 -1.01 0.00 0.00 64.21 63.70 1vhq n SER 35 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1vhq n GLY 36 N 1.11 0.46 3.96 0.23 0.00 -0.68 -5.04 105.19 105.23 1vhq n GLY 36 Ca 0.20 -0.45 -0.22 0.00 0.00 0.00 0.00 46.02 45.55 1vhq n GLY 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vhq s ALA 37 N -1.99 3.85 -0.23 4.61 0.00 -0.81 -4.69 121.76 122.51 1vhq s ALA 37 Ca 0.00 -1.11 -0.10 0.00 0.00 0.00 0.00 51.96 50.76 1vhq s ALA 37 Cb 0.00 -1.98 -0.05 0.00 0.00 0.00 0.00 23.12 21.09 1vhq s ALA 37 CO 0.00 -0.09 0.13 -1.14 0.00 0.00 0.00 175.76 174.66 1vhq s GLN 38 N -4.31 4.04 -0.08 0.00 0.74 0.20 -4.10 119.66 116.15 1vhq s GLN 38 Ca 0.42 -0.29 -0.17 0.00 0.05 0.00 0.00 55.36 55.37 1vhq s GLN 38 Cb -0.10 -3.46 -0.05 0.00 1.10 0.00 0.00 33.01 30.51 1vhq s GLN 38 CO 0.35 0.11 0.46 0.00 -0.55 0.00 0.00 175.29 175.65 1vhq s ALA 39 N 0.89 3.54 -0.31 1.58 0.00 -1.26 -0.65 121.76 125.54 1vhq s ALA 39 Ca 0.07 -0.20 0.03 0.00 0.00 0.00 0.00 51.96 51.86 1vhq s ALA 39 Cb -0.13 -2.57 0.08 0.00 0.00 0.00 0.00 23.12 20.50 1vhq s ALA 39 CO 0.03 0.13 -0.00 0.08 0.00 0.00 0.00 175.76 176.00 1vhq s VAL 40 N 0.15 2.31 0.03 0.00 1.01 0.01 -4.92 120.40 119.00 1vhq s VAL 40 Ca 0.25 -2.05 -0.09 0.00 0.00 0.00 0.00 61.98 60.09 1vhq s VAL 40 Cb -0.16 -2.57 -0.05 0.00 0.00 0.00 0.00 36.38 33.60 1vhq s VAL 40 CO 0.11 -0.38 0.33 0.00 0.00 0.00 0.00 175.10 175.16 1vhq s PHE 42 N -1.31 1.34 -0.25 0.00 0.08 -0.30 -1.80 117.98 115.74 1vhq s PHE 42 Ca 0.29 -1.23 -0.26 0.00 0.12 0.00 0.00 56.93 55.85 1vhq s PHE 42 Cb -0.14 -0.74 0.12 0.00 -0.57 0.00 0.00 43.02 41.69 1vhq s PHE 42 CO 0.16 -0.43 0.99 0.00 -0.10 0.00 0.00 175.22 175.84 1vhq s ALA 43 N -3.89 -1.95 0.26 5.36 0.00 -0.88 -0.55 121.76 120.12 1vhq s ALA 43 Ca 0.36 1.82 -0.30 0.00 0.00 0.00 0.00 51.96 53.84 1vhq s ALA 43 Cb 0.07 -1.25 -0.11 0.00 0.00 0.00 0.00 23.12 21.84 1vhq s ALA 43 CO 0.11 -0.26 1.53 -1.25 0.00 0.00 0.00 175.76 175.89 1vhq s PRO 44 N -0.04 4.19 -1.23 0.00 0.04 -1.26 -1.23 135.00 135.46 1vhq s PRO 44 Ca 0.02 2.45 -0.15 0.00 0.04 0.00 0.00 61.00 63.35 1vhq s PRO 44 Cb -0.04 -3.07 0.14 0.00 0.04 0.00 0.00 34.50 31.57 1vhq s PRO 44 CO -0.04 -0.54 1.52 0.34 0.04 0.00 0.00 177.00 178.32 1vhq s ASP 45 N 0.50 7.01 0.21 6.66 -1.08 -1.26 -3.15 116.67 125.56 1vhq s ASP 45 Ca 0.62 -2.84 -0.15 0.00 -0.52 0.00 0.00 52.55 49.67 1vhq s ASP 45 Cb -0.45 -2.45 0.01 0.00 -1.46 0.00 0.00 42.92 38.57 1vhq s ASP 45 CO 0.44 -0.87 0.49 -1.59 0.52 0.00 0.00 175.17 174.16 1vhq s LYS 46 N 2.32 1.42 0.33 4.34 -2.85 -1.26 -5.01 119.74 119.03 1vhq s LYS 46 Ca 0.46 -1.03 -0.28 0.00 -1.00 0.00 0.00 55.97 54.12 1vhq s LYS 46 Cb -0.01 0.49 -0.09 0.00 -2.06 0.00 0.00 37.83 36.16 1vhq s LYS 46 CO 0.02 -0.59 1.16 -1.14 0.10 0.00 0.00 175.35 174.89 1vhq s GLN 47 N -3.93 4.40 0.65 1.78 0.74 -1.26 -0.38 119.66 121.66 1vhq s GLN 47 Ca 0.14 1.88 -0.17 0.00 0.05 0.00 0.00 55.36 57.25 1vhq s GLN 47 Cb -0.01 -2.99 -0.00 0.00 1.10 0.00 0.00 33.01 31.11 1vhq s GLN 47 CO 0.02 -0.03 1.24 -0.65 -0.55 0.00 0.00 175.29 175.32 1vhq s GLN 48 N -1.81 2.57 0.49 1.67 -0.21 0.11 -4.73 119.66 117.76 1vhq s GLN 48 Ca 0.49 1.90 0.28 0.00 0.02 0.00 0.00 55.36 58.06 1vhq s GLN 48 Cb -0.32 -1.87 1.15 0.00 1.00 0.00 0.00 33.01 32.96 1vhq s GLN 48 CO 0.42 -1.54 1.91 -0.39 -2.12 0.00 0.00 175.29 173.57 1vhq h VAL 49 N 0.42 0.32 -2.86 1.09 -1.51 -1.89 -3.45 116.25 108.35 1vhq h VAL 49 Ca -0.50 -0.82 0.08 0.00 -1.23 0.00 0.00 66.70 64.23 1vhq h VAL 49 Cb 1.31 1.63 -0.04 0.00 -2.13 0.00 0.00 31.29 32.06 1vhq h VAL 49 CO 0.53 0.12 0.30 1.51 -1.23 0.00 0.00 177.57 178.79 1vhq s ASP 50 N -5.98 -0.18 -0.16 4.19 1.47 -1.26 -5.14 116.67 109.62 1vhq s ASP 50 Ca 0.01 -0.68 -0.00 0.00 1.18 0.00 0.00 52.55 53.05 1vhq s ASP 50 Cb 0.10 0.70 0.03 0.00 -0.34 0.00 0.00 42.92 43.41 1vhq s ASP 50 CO 0.59 -1.32 -0.09 -0.69 0.68 0.00 0.00 175.17 174.34 1vhq s VAL 51 N -3.41 1.31 -0.13 2.11 1.01 -1.26 -4.89 120.40 115.13 1vhq s VAL 51 Ca 0.13 -0.63 -0.04 0.00 0.00 0.00 0.00 61.98 61.44 1vhq s VAL 51 Cb -0.05 -1.36 -0.04 0.00 0.00 0.00 0.00 36.38 34.94 1vhq s VAL 51 CO 0.07 0.27 0.03 -0.63 0.00 0.00 0.00 175.10 174.84 1vhq s ILE 52 N 1.57 4.52 -0.36 2.22 -1.09 -1.26 -4.49 121.20 122.31 1vhq s ILE 52 Ca 0.02 -0.15 -0.29 0.00 -2.23 0.00 0.00 60.65 58.00 1vhq s ILE 52 Cb -0.14 -2.96 0.00 0.00 -1.58 0.00 0.00 42.46 37.78 1vhq s ILE 52 CO -0.09 0.55 1.46 0.21 -1.23 0.00 0.00 174.94 175.85 1vhq s ASN 53 N -0.37 6.35 0.10 3.58 3.84 0.78 -4.89 114.94 124.33 1vhq s ASN 53 Ca 0.08 1.05 0.22 0.00 0.21 0.00 0.00 52.86 54.42 1vhq s ASN 53 Cb -0.12 -2.54 0.89 0.00 -0.55 0.00 0.00 41.25 38.93 1vhq s ASN 53 CO 0.02 -1.38 1.69 1.41 -2.79 0.00 0.00 177.10 176.04 1vhq n HIS 54 N 8.74 0.37 0.13 0.43 8.25 -1.26 0.19 115.22 132.06 1vhq n HIS 54 Ca 0.17 0.13 -0.21 0.00 -0.26 0.00 0.00 57.72 57.55 1vhq n HIS 54 Cb 0.47 -0.71 -0.15 0.00 1.12 0.00 0.00 29.99 30.72 1vhq n HIS 54 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 1vhq h LEU 55 N 0.00 0.69 0.00 2.41 5.85 -1.97 -3.39 115.31 118.90 1vhq h LEU 55 Ca 0.00 -0.74 0.00 0.00 0.84 0.00 0.00 57.88 57.98 1vhq h LEU 55 Cb 0.42 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.22 1vhq h LEU 55 CO 0.00 1.58 -1.56 0.35 -0.34 0.00 0.00 178.44 178.47 1vhq n THR 56 N -3.65 0.00 -0.82 1.05 -2.24 -1.14 -5.00 114.28 102.48 1vhq n THR 56 Ca -0.14 -0.30 0.00 0.00 -2.27 0.00 0.00 64.05 61.34 1vhq n THR 56 Cb 1.08 0.23 0.00 0.00 -2.10 0.00 0.00 70.33 69.54 1vhq n THR 56 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1vhq n GLY 57 N 1.72 0.89 3.91 3.38 0.00 0.13 -5.04 105.19 110.18 1vhq n GLY 57 Ca -0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.70 1vhq n GLY 57 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1vhq s GLU 58 N -0.18 3.59 0.00 1.61 2.02 -1.24 -4.77 118.70 119.74 1vhq s GLU 58 Ca 0.00 -0.14 0.00 0.00 0.02 0.00 0.00 54.97 54.85 1vhq s GLU 58 Cb 0.00 -2.79 0.00 0.00 0.10 0.00 0.00 34.13 31.44 1vhq s GLU 58 CO 0.00 0.38 0.00 0.00 0.02 0.00 0.00 175.26 175.66 1vhq n ALA 59 N -0.40 0.00 -3.18 5.21 0.00 -1.26 -0.15 120.51 120.73 1vhq n ALA 59 Ca -0.03 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.18 1vhq n ALA 59 Cb 0.53 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.93 1vhq n ALA 59 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1vhq n THR 61 N -2.15 0.66 -3.95 0.00 5.66 -1.26 -4.80 114.28 108.45 1vhq n THR 61 Ca 0.00 -4.70 -0.09 0.00 -3.05 0.00 0.00 64.05 56.21 1vhq n THR 61 Cb 0.00 -1.24 -0.05 0.00 -1.55 0.00 0.00 70.33 67.49 1vhq n THR 61 CO 0.00 0.00 0.00 -1.83 -3.05 0.00 0.00 175.07 170.19 1vhq s GLU 62 N -2.27 1.53 0.07 1.09 -1.05 -1.26 -5.17 118.70 111.64 1vhq s GLU 62 Ca 0.40 -1.16 0.07 0.00 -0.15 0.00 0.00 54.97 54.13 1vhq s GLU 62 Cb 0.25 0.49 -0.03 0.00 -0.44 0.00 0.00 34.13 34.40 1vhq s GLU 62 CO -0.09 -0.65 -0.20 0.95 0.95 0.00 0.00 175.26 176.23 1vhq s THR 63 N -3.98 1.60 0.01 1.83 -4.23 -1.26 -4.56 115.64 105.05 1vhq s THR 63 Ca 0.19 -1.35 -0.02 0.00 -1.18 0.00 0.00 61.69 59.34 1vhq s THR 63 Cb -0.01 -1.44 -0.01 0.00 1.34 0.00 0.00 72.50 72.38 1vhq s THR 63 CO 0.07 0.04 0.01 -0.13 -0.54 0.00 0.00 174.62 174.07 1vhq s ARG 64 N -1.54 0.33 -0.11 3.99 0.52 -1.26 -5.07 118.95 115.81 1vhq s ARG 64 Ca 0.06 -0.52 -0.16 0.00 -0.52 0.00 0.00 55.73 54.59 1vhq s ARG 64 Cb -0.09 0.12 -0.05 0.00 0.52 0.00 0.00 34.95 35.45 1vhq s ARG 64 CO 0.03 -0.06 0.40 1.21 0.02 0.00 0.00 175.30 176.90 1vhq s ASN 65 N -1.34 6.62 0.15 0.23 3.84 -1.26 0.10 114.94 123.27 1vhq s ASN 65 Ca -0.15 0.74 -0.20 0.00 0.21 0.00 0.00 52.86 53.46 1vhq s ASN 65 Cb -0.09 -2.24 0.03 0.00 -0.55 0.00 0.00 41.25 38.40 1vhq s ASN 65 CO -0.00 0.09 1.66 0.58 -2.79 0.00 0.00 177.10 176.64 1vhq h VAL 66 N 4.53 0.56 -0.47 -5.21 2.07 -0.94 -1.32 116.25 115.48 1vhq h VAL 66 Ca -0.43 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.00 1vhq h VAL 66 Cb 1.18 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 31.50 1vhq h VAL 66 CO 0.73 0.00 -0.06 0.25 0.02 0.00 0.00 177.57 178.51 1vhq h LEU 67 N -0.12 0.86 -0.49 2.57 5.85 -1.76 0.12 115.31 122.34 1vhq h LEU 67 Ca 0.14 -0.34 0.02 0.00 0.84 0.00 0.00 57.88 58.54 1vhq h LEU 67 Cb 0.33 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.10 1vhq h LEU 67 CO -0.33 1.00 0.30 0.40 -0.34 0.00 0.00 178.44 179.46 1vhq h ILE 68 N 0.71 1.06 -0.35 4.05 2.04 -1.85 -1.33 117.51 121.85 1vhq h ILE 68 Ca 0.12 -0.20 -0.13 0.00 1.00 0.00 0.00 64.86 65.65 1vhq h ILE 68 Cb 0.59 0.41 -0.01 0.00 -0.74 0.00 0.00 36.82 37.08 1vhq h ILE 68 CO 0.04 0.11 -0.29 -0.33 0.00 0.00 0.00 178.15 177.68 1vhq h GLU 69 N 0.60 0.81 0.00 2.37 4.39 -1.12 -3.06 114.58 118.56 1vhq h GLU 69 Ca 0.20 -0.41 -0.02 0.00 0.34 0.00 0.00 59.36 59.47 1vhq h GLU 69 Cb 0.00 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.66 1vhq h GLU 69 CO -0.08 1.04 -0.11 0.00 -1.16 0.00 0.00 179.01 178.70 1vhq h ALA 70 N 0.75 1.33 -0.00 3.43 0.00 -0.42 -1.38 119.26 122.96 1vhq h ALA 70 Ca 0.06 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1vhq h ALA 70 Cb 0.86 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.64 1vhq h ALA 70 CO 0.07 0.14 0.00 0.00 0.00 0.00 0.00 179.25 179.46 1vhq h ALA 71 N 1.89 1.37 -0.64 0.00 0.00 -1.14 -1.93 119.26 118.81 1vhq h ALA 71 Ca -0.00 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 1vhq h ALA 71 Cb 0.30 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1vhq h ALA 71 CO 0.01 -0.01 0.05 0.00 0.00 0.00 0.00 179.25 179.31 1vhq h ARG 72 N 0.00 1.09 -0.10 0.00 3.08 -1.37 -0.50 114.38 116.58 1vhq h ARG 72 Ca 0.00 -0.32 -0.09 0.00 0.07 0.00 0.00 59.98 59.65 1vhq h ARG 72 Cb 0.01 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 29.93 1vhq h ARG 72 CO -0.00 1.03 -0.32 0.82 -1.07 0.00 0.00 179.97 180.42 1vhq h ILE 73 N 1.01 1.27 -0.63 2.04 2.04 -1.52 -3.12 117.51 118.60 1vhq h ILE 73 Ca 0.19 -1.27 0.00 0.00 1.00 0.00 0.00 64.86 64.78 1vhq h ILE 73 Cb 0.50 1.55 0.00 0.00 -0.74 0.00 0.00 36.82 38.13 1vhq h ILE 73 CO 0.02 0.38 0.00 0.35 0.00 0.00 0.00 178.15 178.90 1vhq n THR 74 N -4.11 1.33 -3.61 -0.27 -2.24 -1.13 -4.95 114.28 99.30 1vhq n THR 74 Ca -0.01 -1.10 -0.26 0.00 -2.27 0.00 0.00 64.05 60.40 1vhq n THR 74 Cb 0.41 0.35 0.04 0.00 -2.10 0.00 0.00 70.33 69.02 1vhq n THR 74 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1vhq n ARG 75 N 1.21 -5.92 0.00 -0.78 1.74 -0.84 -1.07 116.66 111.00 1vhq n ARG 75 Ca 0.23 0.71 0.00 0.00 -0.77 0.00 0.00 57.85 58.01 1vhq n ARG 75 Cb 0.69 -5.63 0.00 0.00 -1.02 0.00 0.00 32.46 26.51 1vhq n ARG 75 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1vhq n GLY 76 N -1.71 2.55 3.44 -0.13 0.00 -0.26 -4.96 105.19 104.13 1vhq n GLY 76 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1vhq n GLY 76 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1vhq n GLU 77 N -2.00 3.27 -3.56 1.61 1.02 -0.23 -4.88 120.64 115.88 1vhq n GLU 77 Ca 0.00 -3.49 -0.16 0.00 -0.02 0.00 0.00 57.16 53.49 1vhq n GLU 77 Cb 0.00 -3.27 -0.06 0.00 -0.02 0.00 0.00 31.44 28.10 1vhq n GLU 77 CO 0.00 0.00 0.00 -1.50 1.18 0.00 0.00 177.13 176.81 1vhq s ILE 78 N 2.85 0.02 0.17 -3.67 2.07 -1.26 -4.39 121.20 116.98 1vhq s ILE 78 Ca 0.48 -0.13 0.04 0.00 -1.41 0.00 0.00 60.65 59.63 1vhq s ILE 78 Cb 0.02 -0.94 -0.05 0.00 0.13 0.00 0.00 42.46 41.62 1vhq s ILE 78 CO 0.03 -0.07 -0.07 -0.13 -1.91 0.00 0.00 174.94 172.79 1vhq s ARG 79 N -1.76 1.14 0.37 3.50 0.52 -0.75 -4.99 118.95 116.98 1vhq s ARG 79 Ca -0.09 -1.52 -0.26 0.00 -0.52 0.00 0.00 55.73 53.35 1vhq s ARG 79 Cb -0.01 -0.62 -0.12 0.00 0.52 0.00 0.00 34.95 34.72 1vhq s ARG 79 CO 0.04 0.03 1.10 -2.30 0.02 0.00 0.00 175.30 174.19 1vhq n PRO 80 N -0.26 1.59 0.24 3.54 -0.02 -1.26 -2.07 135.00 136.76 1vhq n PRO 80 Ca -0.09 0.56 0.14 0.00 -2.02 0.00 0.00 63.50 62.10 1vhq n PRO 80 Cb 0.61 -2.09 0.80 0.00 -0.02 0.00 0.00 33.50 32.81 1vhq n PRO 80 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1vhq h LEU 81 N 1.94 0.00 -1.87 2.45 5.85 -1.50 -0.73 115.31 121.45 1vhq h LEU 81 Ca -0.44 0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.32 1vhq h LEU 81 Cb 1.32 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.34 1vhq h LEU 81 CO 0.59 0.00 0.17 0.00 -0.34 0.00 0.00 178.44 178.86 1vhq h ALA 82 N 1.92 2.01 -0.01 1.25 0.00 -1.88 -1.01 119.26 121.55 1vhq h ALA 82 Ca 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1vhq h ALA 82 Cb 0.21 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1vhq h ALA 82 CO -0.00 -0.06 0.00 1.04 0.00 0.00 0.00 179.25 180.23 1vhq n GLN 83 N -4.49 1.18 -2.57 0.00 6.02 -0.28 -4.88 117.38 112.35 1vhq n GLN 83 Ca 0.02 -0.26 -0.41 0.00 -0.01 0.00 0.00 57.00 56.34 1vhq n GLN 83 Cb 0.20 -1.49 -0.04 0.00 1.02 0.00 0.00 30.24 29.93 1vhq n GLN 83 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1vhq s ALA 84 N -2.00 3.34 -0.13 -1.58 0.00 -0.38 -5.02 121.76 115.98 1vhq s ALA 84 Ca 0.45 0.75 -0.00 0.00 0.00 0.00 0.00 51.96 53.16 1vhq s ALA 84 Cb 0.21 -3.33 0.03 0.00 0.00 0.00 0.00 23.12 20.03 1vhq s ALA 84 CO 0.35 -0.16 -0.09 0.34 0.00 0.00 0.00 175.76 176.21 1vhq s ASP 85 N -0.10 2.46 0.54 0.00 -1.08 -1.26 -5.01 116.67 112.21 1vhq s ASP 85 Ca 0.49 -0.43 0.24 0.00 -0.52 0.00 0.00 52.55 52.33 1vhq s ASP 85 Cb -0.28 -0.96 1.40 0.00 -1.46 0.00 0.00 42.92 41.62 1vhq s ASP 85 CO 0.33 -0.11 2.04 0.00 0.52 0.00 0.00 175.17 177.95 1vhq h ALA 86 N 8.13 2.32 0.00 3.66 0.00 -1.93 -1.22 119.26 130.21 1vhq h ALA 86 Ca -0.31 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1vhq h ALA 86 Cb 1.13 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1vhq h ALA 86 CO 0.44 -0.49 0.00 0.00 0.00 0.00 0.00 179.25 179.21 1vhq h ALA 87 N 1.78 1.00 -0.58 0.00 0.00 -1.96 -2.23 119.26 117.28 1vhq h ALA 87 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1vhq h ALA 87 Cb 0.76 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1vhq h ALA 87 CO -0.00 0.00 0.00 0.39 0.00 0.00 0.00 179.25 179.64 1vhq n GLU 88 N -2.43 2.75 -4.25 0.00 1.02 -0.46 -4.98 120.64 112.29 1vhq n GLU 88 Ca 0.02 -2.42 -0.21 0.00 -0.02 0.00 0.00 57.16 54.53 1vhq n GLU 88 Cb 0.25 -1.46 -0.12 0.00 -0.02 0.00 0.00 31.44 30.09 1vhq n GLU 88 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1vhq s LEU 89 N -1.02 2.34 -0.02 -4.62 1.43 -0.84 -4.87 118.68 111.08 1vhq s LEU 89 Ca 0.39 -0.72 0.19 0.00 -1.03 0.00 0.00 54.13 52.96 1vhq s LEU 89 Cb 0.21 -0.69 -0.28 0.00 0.03 0.00 0.00 46.19 45.46 1vhq s LEU 89 CO 0.27 -0.04 0.49 0.47 0.23 0.00 0.00 176.35 177.76 1vhq n ASP 90 N 0.89 0.70 -3.46 2.29 9.92 0.64 -4.97 116.55 122.56 1vhq n ASP 90 Ca -0.18 -0.18 -0.11 0.00 -0.53 0.00 0.00 54.79 53.80 1vhq n ASP 90 Cb 0.55 1.70 -0.02 0.00 -0.64 0.00 0.00 41.12 42.71 1vhq n ASP 90 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1vhq s ALA 91 N -3.21 -1.71 -0.04 2.24 0.00 -1.18 -4.10 121.76 113.76 1vhq s ALA 91 Ca -0.04 0.78 0.03 0.00 0.00 0.00 0.00 51.96 52.73 1vhq s ALA 91 Cb 0.12 0.60 0.01 0.00 0.00 0.00 0.00 23.12 23.86 1vhq s ALA 91 CO 0.78 -0.71 -0.11 -1.17 0.00 0.00 0.00 175.76 174.55 1vhq s LEU 92 N -2.53 1.72 -0.03 0.00 2.96 -0.60 -1.16 118.68 119.04 1vhq s LEU 92 Ca 0.02 -0.25 0.04 0.00 -0.22 0.00 0.00 54.13 53.72 1vhq s LEU 92 Cb -0.01 -0.72 -0.00 0.00 0.50 0.00 0.00 46.19 45.96 1vhq s LEU 92 CO -0.10 0.06 -0.14 -0.63 -1.32 0.00 0.00 176.35 174.22 1vhq s ILE 93 N 0.39 1.21 -0.31 6.68 1.01 0.40 -0.18 121.20 130.39 1vhq s ILE 93 Ca -0.08 -0.60 0.02 0.00 0.00 0.00 0.00 60.65 59.99 1vhq s ILE 93 Cb -0.12 -1.04 0.09 0.00 0.01 0.00 0.00 42.46 41.40 1vhq s ILE 93 CO 0.02 0.35 0.02 -0.69 0.00 0.00 0.00 174.94 174.65 1vhq s VAL 94 N 0.05 1.85 1.00 2.92 1.01 0.13 -1.66 120.40 125.70 1vhq s VAL 94 Ca -0.03 -1.88 -0.12 0.00 0.00 0.00 0.00 61.98 59.95 1vhq s VAL 94 Cb -0.10 -2.28 0.19 0.00 0.00 0.00 0.00 36.38 34.19 1vhq s VAL 94 CO 0.01 -0.47 1.08 -2.84 0.00 0.00 0.00 175.10 172.88 1vhq s PRO 95 N 1.16 0.37 0.00 2.72 0.02 -1.26 -4.48 135.00 133.52 1vhq s PRO 95 Ca 0.06 0.96 0.00 0.00 0.02 0.00 0.00 61.00 62.04 1vhq s PRO 95 Cb -0.19 -1.69 0.00 0.00 0.02 0.00 0.00 34.50 32.64 1vhq s PRO 95 CO -0.11 -2.89 0.00 0.41 -0.33 0.00 0.00 177.00 174.08 1vhq n GLY 96 N -0.16 1.35 0.00 0.52 0.00 -1.26 -4.82 105.19 100.82 1vhq n GLY 96 Ca 0.06 -1.60 0.00 0.00 0.00 0.00 0.00 46.02 44.48 1vhq n GLY 96 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vhq n GLY 97 N 5.00 2.35 0.27 -0.02 0.00 -1.26 -1.39 105.19 110.14 1vhq n GLY 97 Ca 0.00 -1.91 0.14 0.00 0.00 0.00 0.00 46.02 44.26 1vhq n GLY 97 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1vhq h PHE 98 N 0.00 0.00 -0.57 1.61 -1.00 -0.27 -2.26 116.94 114.44 1vhq h PHE 98 Ca 0.00 0.00 0.13 0.00 2.81 0.00 0.00 57.97 60.91 1vhq h PHE 98 Cb 0.00 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 39.53 1vhq h PHE 98 CO 0.00 0.09 0.40 0.78 -1.61 0.00 0.00 178.31 177.97 1vhq h GLY 99 N 0.85 0.31 1.58 -1.45 0.00 -0.99 -0.74 103.07 102.63 1vhq h GLY 99 Ca -0.00 -0.08 -0.02 0.00 0.00 0.00 0.00 47.33 47.23 1vhq h GLY 99 CO 0.01 0.04 0.16 0.00 0.00 0.00 0.00 176.54 176.75 1vhq h ALA 100 N 1.72 1.55 -0.30 3.60 0.00 -1.60 0.41 119.26 124.65 1vhq h ALA 100 Ca 0.27 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1vhq h ALA 100 Cb 0.81 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1vhq h ALA 100 CO -0.05 0.35 0.00 0.00 0.00 0.00 0.00 179.25 179.55 1vhq n ALA 101 N -2.47 2.44 0.00 0.00 0.00 -0.37 -3.10 120.51 117.00 1vhq n ALA 101 Ca 0.03 -0.90 0.00 0.00 0.00 0.00 0.00 53.44 52.57 1vhq n ALA 101 Cb 0.14 -0.88 0.00 0.00 0.00 0.00 0.00 19.45 18.71 1vhq n ALA 101 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1vhq n LYS 102 N 1.39 0.00 -0.04 0.00 5.02 -0.66 -1.06 118.16 122.80 1vhq n LYS 102 Ca 0.18 0.00 -0.03 0.00 -2.02 0.00 0.00 58.31 56.44 1vhq n LYS 102 Cb 0.59 -0.89 -0.08 0.00 -0.02 0.00 0.00 35.03 34.63 1vhq n LYS 102 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1vhq n ASN 103 N -2.30 2.55 0.05 4.39 3.02 0.14 -4.49 115.26 118.62 1vhq n ASN 103 Ca 0.00 0.00 0.11 0.00 -0.03 0.00 0.00 54.58 54.66 1vhq n ASN 103 Cb 0.40 0.85 0.02 0.00 -0.61 0.00 0.00 39.78 40.44 1vhq n ASN 103 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1vhq n LEU 104 N -2.30 0.64 -3.83 3.41 4.77 -0.65 -4.82 117.00 114.23 1vhq n LEU 104 Ca -0.14 0.14 -0.07 0.00 -0.03 0.00 0.00 56.01 55.91 1vhq n LEU 104 Cb 0.74 -0.09 0.01 0.00 -2.33 0.00 0.00 43.42 41.76 1vhq n LEU 104 CO 0.21 -0.05 0.60 -0.94 -1.33 0.00 0.00 177.39 175.88 1vhq s SER 105 N -4.49 -0.05 -0.28 -1.43 1.04 -1.18 -0.40 113.70 106.90 1vhq s SER 105 Ca 0.02 -0.90 0.09 0.00 0.48 0.00 0.00 55.95 55.64 1vhq s SER 105 Cb 0.13 0.73 0.48 0.00 0.10 0.00 0.00 66.02 67.45 1vhq s SER 105 CO 0.80 -1.42 1.39 -0.46 0.98 0.00 0.00 173.24 174.53 1vhq n ASN 106 N -1.14 2.62 -0.22 7.02 0.23 -0.97 -2.20 115.26 120.61 1vhq n ASN 106 Ca -0.06 -3.83 0.17 0.00 -0.53 0.00 0.00 54.58 50.33 1vhq n ASN 106 Cb 0.60 -0.59 0.49 0.00 -2.08 0.00 0.00 39.78 38.19 1vhq n ASN 106 CO 0.00 0.00 0.00 0.15 -0.93 0.00 0.00 177.26 176.48 1vhq h PHE 107 N 1.14 0.57 0.00 -2.53 3.57 -1.70 -0.25 116.94 117.74 1vhq h PHE 107 Ca 0.19 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.69 1vhq h PHE 107 Cb 1.45 -0.18 -0.00 0.00 2.79 0.00 0.00 35.95 40.01 1vhq h PHE 107 CO 0.97 0.18 -0.10 0.00 -2.23 0.00 0.00 178.31 177.13 1vhq h ALA 108 N 1.62 1.59 0.00 2.41 0.00 -1.40 -1.53 119.26 121.96 1vhq h ALA 108 Ca 0.43 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.24 1vhq h ALA 108 Cb 0.99 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.76 1vhq h ALA 108 CO -0.16 0.12 -1.48 -1.13 0.00 0.00 0.00 179.25 176.60 1vhq n SER 109 N -4.07 2.66 -0.00 0.00 3.41 -0.88 -4.74 113.62 110.00 1vhq n SER 109 Ca -0.02 0.00 0.04 0.00 -0.26 0.00 0.00 58.87 58.63 1vhq n SER 109 Cb 0.18 1.42 -0.05 0.00 -0.26 0.00 0.00 64.21 65.50 1vhq n SER 109 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1vhq n LEU 110 N -1.89 0.29 0.00 1.04 4.77 -0.16 -5.07 117.00 115.99 1vhq n LEU 110 Ca -0.03 -0.36 0.00 0.00 -0.03 0.00 0.00 56.01 55.59 1vhq n LEU 110 Cb 0.30 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.39 1vhq n LEU 110 CO 0.21 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 176.96 1vhq n GLY 111 N 1.43 3.92 0.00 -0.72 0.00 -0.58 -2.06 105.19 107.17 1vhq n GLY 111 Ca 0.01 -0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.10 1vhq n GLY 111 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1vhq n SER 112 N 6.57 0.00 -0.99 1.61 3.41 -1.26 -1.89 113.62 121.08 1vhq n SER 112 Ca 0.00 0.17 0.09 0.00 -0.26 0.00 0.00 58.87 58.87 1vhq n SER 112 Cb 0.00 -0.33 0.23 0.00 -0.26 0.00 0.00 64.21 63.85 1vhq n SER 112 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1vhq n GLU 113 N -1.33 2.77 -1.28 4.33 -0.58 -0.88 -5.02 120.64 118.65 1vhq n GLU 113 Ca 0.06 -2.34 -0.29 0.00 -0.42 0.00 0.00 57.16 54.17 1vhq n GLU 113 Cb 0.13 -1.42 0.15 0.00 -0.57 0.00 0.00 31.44 29.73 1vhq n GLU 113 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1vhq s THR 115 N -3.03 1.34 0.04 0.00 -4.23 -1.26 -4.98 115.64 103.52 1vhq s THR 115 Ca 0.64 -1.73 0.01 0.00 -1.18 0.00 0.00 61.69 59.43 1vhq s THR 115 Cb -0.17 -1.54 -0.04 0.00 1.34 0.00 0.00 72.50 72.08 1vhq s THR 115 CO 0.56 -0.42 0.10 -0.69 -0.54 0.00 0.00 174.62 173.64 1vhq s VAL 116 N -2.15 4.76 0.04 2.29 1.01 -1.26 -2.29 120.40 122.80 1vhq s VAL 116 Ca 0.09 -0.56 -0.37 0.00 0.00 0.00 0.00 61.98 61.14 1vhq s VAL 116 Cb -0.05 -3.26 -0.17 0.00 0.00 0.00 0.00 36.38 32.91 1vhq s VAL 116 CO 0.03 0.21 1.36 -0.67 0.00 0.00 0.00 175.10 176.04 1vhq n ASP 117 N 0.70 1.60 -0.25 3.32 -0.08 0.46 -4.78 116.55 117.53 1vhq n ASP 117 Ca -0.10 1.12 -0.04 0.00 -1.51 0.00 0.00 54.79 54.27 1vhq n ASP 117 Cb 0.52 -1.16 0.13 0.00 2.34 0.00 0.00 41.12 42.95 1vhq n ASP 117 CO 0.00 0.00 0.00 0.03 0.12 0.00 0.00 177.20 177.35 1vhq h ARG 118 N 4.72 1.09 -0.49 -0.67 3.08 -1.97 -0.36 114.38 119.78 1vhq h ARG 118 Ca -0.48 -0.16 -0.09 0.00 0.07 0.00 0.00 59.98 59.32 1vhq h ARG 118 Cb 1.34 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 31.18 1vhq h ARG 118 CO 0.79 0.85 -0.05 0.93 -1.07 0.00 0.00 179.97 181.42 1vhq h GLU 119 N 1.07 0.85 -0.27 0.04 5.08 -1.97 -1.30 114.58 118.08 1vhq h GLU 119 Ca 0.26 -0.26 -0.06 0.00 -1.00 0.00 0.00 59.36 58.29 1vhq h GLU 119 Cb 0.14 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 1vhq h GLU 119 CO -0.03 0.88 -0.08 1.25 -1.00 0.00 0.00 179.01 180.03 1vhq h LEU 120 N 0.78 0.54 -0.63 1.33 5.85 -1.77 -1.90 115.31 119.52 1vhq h LEU 120 Ca 0.14 -0.38 0.02 0.00 0.84 0.00 0.00 57.88 58.50 1vhq h LEU 120 Cb 0.54 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.39 1vhq h LEU 120 CO 0.03 0.79 0.39 0.50 -0.34 0.00 0.00 178.44 179.81 1vhq h LYS 121 N 0.28 0.76 -0.56 1.25 3.64 -0.93 0.37 116.57 121.38 1vhq h LYS 121 Ca 0.07 -0.05 -0.09 0.00 -1.27 0.00 0.00 60.65 59.31 1vhq h LYS 121 Cb 0.56 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 32.19 1vhq h LYS 121 CO 0.03 0.50 0.02 0.00 -2.27 0.00 0.00 179.45 177.73 1vhq h ALA 122 N 1.26 0.75 -0.06 5.00 0.00 -1.17 -1.25 119.26 123.80 1vhq h ALA 122 Ca 0.25 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1vhq h ALA 122 Cb -0.01 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 1vhq h ALA 122 CO -0.09 0.57 0.02 1.25 0.00 0.00 0.00 179.25 181.00 1vhq h LEU 123 N 0.86 0.08 -0.95 0.00 5.85 -0.87 -1.05 115.31 119.23 1vhq h LEU 123 Ca 0.16 -0.18 -0.04 0.00 0.84 0.00 0.00 57.88 58.66 1vhq h LEU 123 Cb 0.52 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.50 1vhq h LEU 123 CO 0.03 0.23 0.28 0.00 -0.34 0.00 0.00 178.44 178.64 1vhq h ALA 124 N 0.85 1.16 -0.70 1.25 0.00 -0.84 -2.67 119.26 118.31 1vhq h ALA 124 Ca 0.02 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.70 1vhq h ALA 124 Cb 0.18 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 1vhq h ALA 124 CO -0.00 0.60 0.23 1.96 0.00 0.00 0.00 179.25 182.05 1vhq h GLN 125 N 1.02 1.08 -1.35 0.00 4.20 -1.09 -1.39 115.11 117.59 1vhq h GLN 125 Ca 0.24 -0.23 0.00 0.00 0.06 0.00 0.00 58.65 58.72 1vhq h GLN 125 Cb 0.20 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 27.82 1vhq h GLN 125 CO -0.02 0.92 0.00 0.00 -0.67 0.00 0.00 178.83 179.06 1vhq n ALA 126 N -2.42 1.72 0.00 3.87 0.00 -0.41 -1.44 120.51 121.82 1vhq n ALA 126 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1vhq n ALA 126 Cb 0.21 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.66 1vhq n ALA 126 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1vhq n HIS 128 N 0.73 0.00 0.20 0.00 -0.00 -0.52 -2.17 115.22 113.45 1vhq n HIS 128 Ca 0.00 0.00 0.07 0.00 -0.00 0.00 0.00 57.72 57.79 1vhq n HIS 128 Cb 0.13 0.00 0.38 0.00 -0.00 0.00 0.00 29.99 30.50 1vhq n HIS 128 CO 0.00 0.00 0.00 1.96 -0.00 0.00 0.00 176.34 178.30 1vhq h GLN 129 N 0.00 0.00 -0.02 1.57 1.08 -1.51 -2.26 115.11 113.97 1vhq h GLN 129 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1vhq h GLN 129 Cb 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 1vhq h GLN 129 CO 0.00 0.33 0.00 0.00 -0.95 0.00 0.00 178.83 178.21 1vhq n ALA 130 N -2.29 2.59 -2.35 3.87 0.00 -0.92 -4.93 120.51 116.47 1vhq n ALA 130 Ca -0.00 -0.41 -0.08 0.00 0.00 0.00 0.00 53.44 52.95 1vhq n ALA 130 Cb 0.48 -1.22 0.01 0.00 0.00 0.00 0.00 19.45 18.71 1vhq n ALA 130 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1vhq n GLY 131 N 1.14 0.15 3.86 0.00 0.00 -0.85 -5.03 105.19 104.45 1vhq n GLY 131 Ca 0.20 -0.50 -0.36 0.00 0.00 0.00 0.00 46.02 45.35 1vhq n GLY 131 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1vhq s LYS 132 N -4.69 3.37 0.42 1.61 1.02 -1.26 -5.00 119.74 115.21 1vhq s LYS 132 Ca 0.06 -0.19 -0.23 0.00 0.02 0.00 0.00 55.97 55.63 1vhq s LYS 132 Cb -0.03 -3.13 -0.09 0.00 -0.52 0.00 0.00 37.83 34.07 1vhq s LYS 132 CO 0.07 0.76 1.07 -1.25 -0.92 0.00 0.00 175.35 175.08 1vhq s PRO 133 N -1.09 4.07 0.02 -1.68 0.04 -1.26 -4.27 135.00 130.82 1vhq s PRO 133 Ca 0.16 1.54 0.08 0.00 0.04 0.00 0.00 61.00 62.82 1vhq s PRO 133 Cb -0.12 -2.48 -0.02 0.00 0.04 0.00 0.00 34.50 31.92 1vhq s PRO 133 CO 0.05 -0.23 -0.25 -0.51 0.04 0.00 0.00 177.00 176.10 1vhq s LEU 134 N -2.78 2.12 -0.09 -3.56 1.43 -0.72 -1.56 118.68 113.52 1vhq s LEU 134 Ca 0.59 -0.53 -0.00 0.00 -1.03 0.00 0.00 54.13 53.16 1vhq s LEU 134 Cb -0.22 -1.25 0.02 0.00 0.03 0.00 0.00 46.19 44.77 1vhq s LEU 134 CO 0.28 0.27 -0.05 -0.83 0.23 0.00 0.00 176.35 176.25 1vhq s GLY 135 N -0.97 0.66 0.19 -3.19 0.00 0.74 -0.79 107.32 103.96 1vhq s GLY 135 Ca 0.10 -0.34 0.01 0.00 0.00 0.00 0.00 44.72 44.49 1vhq s GLY 135 CO 0.01 0.86 0.03 0.69 0.00 0.00 0.00 173.10 174.69 1vhq n PHE 136 N 4.88 0.31 0.00 1.90 3.01 -0.58 0.18 117.46 127.17 1vhq n PHE 136 Ca -0.12 -1.06 0.00 0.00 1.01 0.00 0.00 57.45 57.28 1vhq n PHE 136 Cb 0.50 -0.08 0.00 0.00 -0.01 0.00 0.00 39.48 39.89 1vhq n PHE 136 CO 0.00 0.00 0.00 1.51 1.01 0.00 0.00 176.76 179.28 1vhq n ILE 139 N -0.47 0.00 -0.22 4.37 0.13 -1.26 -2.79 119.36 119.12 1vhq n ILE 139 Ca -0.06 0.09 0.06 0.00 -1.10 0.00 0.00 62.75 61.74 1vhq n ILE 139 Cb 0.26 -0.65 0.33 0.00 -0.84 0.00 0.00 39.64 38.74 1vhq n ILE 139 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1vhq h ALA 140 N 0.00 1.67 -0.05 1.51 0.00 -1.88 -2.05 119.26 118.46 1vhq h ALA 140 Ca 0.00 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.91 1vhq h ALA 140 Cb 0.17 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 1vhq h ALA 140 CO 0.00 0.21 0.11 -1.35 0.00 0.00 0.00 179.25 178.22 1vhq h PRO 141 N 0.82 0.00 -1.99 0.00 0.11 -1.87 -3.37 132.00 125.70 1vhq h PRO 141 Ca 0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.45 1vhq h PRO 141 Cb 0.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.39 1vhq h PRO 141 CO -0.12 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 177.67 1vhq n ALA 142 N -2.18 1.36 0.00 -0.75 0.00 -0.77 -4.38 120.51 113.79 1vhq n ALA 142 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1vhq n ALA 142 Cb 0.19 -1.72 0.00 0.00 0.00 0.00 0.00 19.45 17.92 1vhq n ALA 142 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1vhq n LEU 144 N 1.81 0.00 0.12 0.00 4.77 -1.26 -4.61 117.00 117.84 1vhq n LEU 144 Ca 0.00 0.00 0.10 0.00 -0.03 0.00 0.00 56.01 56.08 1vhq n LEU 144 Cb 0.00 0.00 0.48 0.00 -2.33 0.00 0.00 43.42 41.57 1vhq n LEU 144 CO 0.00 0.00 0.81 -2.65 -1.33 0.00 0.00 177.39 174.22 1vhq n PRO 145 N 0.00 0.14 0.00 3.23 -0.02 -1.26 -1.29 135.00 135.81 1vhq n PRO 145 Ca 0.00 0.50 0.11 0.00 -2.02 0.00 0.00 63.50 62.09 1vhq n PRO 145 Cb 0.00 -1.85 -0.07 0.00 -0.02 0.00 0.00 33.50 31.56 1vhq n PRO 145 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1vhq n LYS 146 N -2.14 0.20 -0.05 -0.52 4.76 -1.26 -4.32 118.16 114.82 1vhq n LYS 146 Ca 0.01 -0.04 -0.22 0.00 -2.87 0.00 0.00 58.31 55.19 1vhq n LYS 146 Cb 0.13 -1.53 -0.13 0.00 -1.84 0.00 0.00 35.03 31.67 1vhq n LYS 146 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 1vhq n ILE 147 N -1.76 1.66 -3.97 -0.18 5.41 -0.58 -4.79 119.36 115.16 1vhq n ILE 147 Ca 0.02 -0.45 -0.35 0.00 1.00 0.00 0.00 62.75 62.96 1vhq n ILE 147 Cb 0.40 -1.79 -0.12 0.00 -0.71 0.00 0.00 39.64 37.42 1vhq n ILE 147 CO 0.00 0.00 0.00 -0.36 0.00 0.00 0.00 176.55 176.19 1vhq s PHE 148 N -2.50 3.09 -1.24 1.39 0.08 -0.41 -4.89 117.98 113.51 1vhq s PHE 148 Ca -0.27 -0.33 -0.05 0.00 0.12 0.00 0.00 56.93 56.40 1vhq s PHE 148 Cb 0.07 -2.13 0.18 0.00 -0.57 0.00 0.00 43.02 40.58 1vhq s PHE 148 CO 0.68 -0.19 2.08 -3.47 -0.10 0.00 0.00 175.22 174.22 1vhq n ASP 149 N 4.32 7.11 -3.61 1.36 4.64 -1.26 -4.61 116.55 124.49 1vhq n ASP 149 Ca -0.17 -3.26 -0.07 0.00 -1.38 0.00 0.00 54.79 49.92 1vhq n ASP 149 Cb 0.52 -1.34 -0.05 0.00 -1.04 0.00 0.00 41.12 39.20 1vhq n ASP 149 CO 0.00 0.00 0.00 0.72 -0.82 0.00 0.00 177.20 177.10 1vhq s PHE 150 N -1.54 -0.23 0.48 -0.67 -0.12 -1.26 -5.17 117.98 109.47 1vhq s PHE 150 Ca 0.46 0.42 -0.23 0.00 -0.05 0.00 0.00 56.93 57.53 1vhq s PHE 150 Cb 0.15 0.46 -0.07 0.00 -0.63 0.00 0.00 43.02 42.94 1vhq s PHE 150 CO -0.06 -0.20 1.24 -2.14 -0.05 0.00 0.00 175.22 174.02 1vhq s PRO 151 N -0.91 3.61 0.01 1.99 0.02 -1.26 -4.95 135.00 133.51 1vhq s PRO 151 Ca 0.03 1.97 0.00 0.00 0.02 0.00 0.00 61.00 63.03 1vhq s PRO 151 Cb -0.01 -2.42 -0.01 0.00 0.02 0.00 0.00 34.50 32.08 1vhq s PRO 151 CO -0.04 -0.73 -0.02 -0.51 -0.33 0.00 0.00 177.00 175.37 1vhq s LEU 152 N -3.07 2.08 -0.13 -5.54 1.43 -1.26 -5.02 118.68 107.17 1vhq s LEU 152 Ca 0.65 -0.19 -0.23 0.00 -1.03 0.00 0.00 54.13 53.33 1vhq s LEU 152 Cb -0.34 -0.03 -0.03 0.00 0.03 0.00 0.00 46.19 45.82 1vhq s LEU 152 CO 0.41 -0.08 0.72 0.00 0.23 0.00 0.00 176.35 177.62 1vhq s ARG 153 N -0.52 4.33 0.30 1.70 1.70 -1.26 -1.94 118.95 123.26 1vhq s ARG 153 Ca -0.05 0.84 -0.01 0.00 -0.47 0.00 0.00 55.73 56.05 1vhq s ARG 153 Cb -0.04 -3.52 -0.02 0.00 -0.57 0.00 0.00 34.95 30.81 1vhq s ARG 153 CO -0.00 -0.14 0.35 -0.51 -1.08 0.00 0.00 175.30 173.92 1vhq s LEU 154 N 1.52 1.16 -0.04 -1.89 1.43 -0.76 -4.17 118.68 115.93 1vhq s LEU 154 Ca 0.35 -1.48 -0.17 0.00 -1.03 0.00 0.00 54.13 51.81 1vhq s LEU 154 Cb -0.17 1.04 0.03 0.00 0.03 0.00 0.00 46.19 47.12 1vhq s LEU 154 CO 0.14 -1.13 0.37 0.28 0.23 0.00 0.00 176.35 176.24 1vhq s THR 155 N -3.49 0.04 0.00 5.49 -1.32 -1.26 -0.59 115.64 114.51 1vhq s THR 155 Ca 0.34 -0.34 0.00 0.00 -1.21 0.00 0.00 61.69 60.48 1vhq s THR 155 Cb 0.02 -0.65 0.00 0.00 -1.51 0.00 0.00 72.50 70.36 1vhq s THR 155 CO 0.19 -0.19 0.77 2.30 -2.21 0.00 0.00 174.62 175.48 1vhq n ILE 156 N 1.50 0.58 0.00 5.08 -6.64 -1.26 -4.55 119.36 114.08 1vhq n ILE 156 Ca -0.20 -0.63 0.00 0.00 -1.77 0.00 0.00 62.75 60.15 1vhq n ILE 156 Cb 0.56 0.76 0.00 0.00 -1.44 0.00 0.00 39.64 39.52 1vhq n ILE 156 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 1vhq n GLY 157 N -0.29 0.47 0.00 3.28 0.00 -1.26 -4.64 105.19 102.75 1vhq n GLY 157 Ca 0.00 -1.22 0.00 0.00 0.00 0.00 0.00 46.02 44.80 1vhq n GLY 157 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1vhq n THR 158 N 0.00 0.00 -1.66 2.61 -2.24 -1.26 -2.07 114.28 109.66 1vhq n THR 158 Ca 0.00 -0.30 -0.46 0.00 -2.27 0.00 0.00 64.05 61.01 1vhq n THR 158 Cb 0.00 1.31 -0.04 0.00 -2.10 0.00 0.00 70.33 69.50 1vhq n THR 158 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1vhq n ASP 159 N -0.13 3.58 -0.13 3.42 -0.08 -1.26 -4.87 116.55 117.08 1vhq n ASP 159 Ca 0.00 0.87 -0.09 0.00 -1.51 0.00 0.00 54.79 54.05 1vhq n ASP 159 Cb 0.08 -1.42 -0.01 0.00 2.34 0.00 0.00 41.12 42.10 1vhq n ASP 159 CO 0.00 0.00 0.00 0.40 0.12 0.00 0.00 177.20 177.72 1vhq h ILE 160 N 5.73 1.22 -0.22 5.18 2.04 -1.98 -0.06 117.51 129.41 1vhq h ILE 160 Ca -0.47 -0.72 -0.04 0.00 1.00 0.00 0.00 64.86 64.62 1vhq h ILE 160 Cb 1.26 0.95 -0.01 0.00 -0.74 0.00 0.00 36.82 38.28 1vhq h ILE 160 CO 0.95 0.25 -0.03 0.44 0.00 0.00 0.00 178.15 179.76 1vhq h ASP 161 N 0.49 0.42 -0.63 1.72 5.19 -2.00 -1.09 116.42 120.52 1vhq h ASP 161 Ca 0.13 -0.35 -0.03 0.00 -0.62 0.00 0.00 57.03 56.16 1vhq h ASP 161 Cb 0.27 -0.11 -0.03 0.00 0.18 0.00 0.00 39.33 39.64 1vhq h ASP 161 CO -0.00 0.66 0.27 0.74 -3.12 0.00 0.00 179.24 177.79 1vhq h THR 162 N 0.16 1.23 -0.86 0.35 2.02 -1.95 -2.05 112.91 111.81 1vhq h THR 162 Ca 0.06 -0.70 0.07 0.00 0.77 0.00 0.00 66.41 66.61 1vhq h THR 162 Cb 0.47 0.51 -0.06 0.00 -1.74 0.00 0.00 68.15 67.33 1vhq h THR 162 CO 0.02 0.28 0.53 0.00 0.37 0.00 0.00 175.52 176.71 1vhq h ALA 163 N 1.11 1.20 -0.44 6.16 0.00 -0.91 -1.50 119.26 124.89 1vhq h ALA 163 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1vhq h ALA 163 Cb 0.18 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1vhq h ALA 163 CO -0.02 0.24 0.29 1.49 0.00 0.00 0.00 179.25 181.25 1vhq h GLU 164 N 0.94 0.58 -0.82 0.00 4.57 -0.54 -1.66 114.58 117.65 1vhq h GLU 164 Ca 0.39 -0.04 -0.03 0.00 -1.18 0.00 0.00 59.36 58.50 1vhq h GLU 164 Cb 0.22 -0.13 -0.04 0.00 -0.16 0.00 0.00 28.75 28.65 1vhq h GLU 164 CO -0.19 0.39 0.38 0.28 -1.18 0.00 0.00 179.01 178.69 1vhq h VAL 165 N 0.59 1.25 -0.57 0.32 2.07 -0.64 -0.30 116.25 118.97 1vhq h VAL 165 Ca 0.16 -0.73 -0.07 0.00 0.82 0.00 0.00 66.70 66.88 1vhq h VAL 165 Cb -0.06 0.22 -0.02 0.00 -1.52 0.00 0.00 31.29 29.91 1vhq h VAL 165 CO -0.03 0.31 0.07 -0.07 0.02 0.00 0.00 177.57 177.87 1vhq h LEU 166 N 1.17 0.92 -0.94 2.57 -0.00 -0.93 -2.48 115.31 115.62 1vhq h LEU 166 Ca 0.28 -0.27 -0.08 0.00 -0.00 0.00 0.00 57.88 57.81 1vhq h LEU 166 Cb 0.13 -0.25 -0.02 0.00 -0.00 0.00 0.00 40.66 40.52 1vhq h LEU 166 CO -0.03 0.96 -0.08 -0.33 -0.00 0.00 0.00 178.44 178.96 1vhq h GLU 167 N 0.85 0.69 -1.97 1.13 4.39 -1.04 -2.27 114.58 116.36 1vhq h GLU 167 Ca 0.17 -0.20 0.00 0.00 0.34 0.00 0.00 59.36 59.67 1vhq h GLU 167 Cb 0.45 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.03 1vhq h GLU 167 CO 0.02 0.76 0.00 0.39 -1.16 0.00 0.00 179.01 179.01 1vhq n GLU 168 N -4.19 0.22 0.00 2.33 -0.58 -0.15 -3.95 120.64 114.32 1vhq n GLU 168 Ca 0.01 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.75 1vhq n GLU 168 Cb 0.33 -1.39 0.00 0.00 -0.57 0.00 0.00 31.44 29.81 1vhq n GLU 168 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1vhq n GLY 170 N 1.75 -0.35 3.92 0.62 0.00 -1.14 -5.10 105.19 104.89 1vhq n GLY 170 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 1vhq n GLY 170 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vhq s ALA 171 N -0.11 3.48 -0.50 4.61 0.00 -0.87 -4.51 121.76 123.87 1vhq s ALA 171 Ca 0.00 -0.67 -0.15 0.00 0.00 0.00 0.00 51.96 51.14 1vhq s ALA 171 Cb 0.00 -2.45 0.10 0.00 0.00 0.00 0.00 23.12 20.77 1vhq s ALA 171 CO 0.00 -0.35 0.43 -2.00 0.00 0.00 0.00 175.76 173.84 1vhq s GLU 172 N -4.68 2.94 0.04 0.00 2.12 -0.82 -4.00 118.70 114.32 1vhq s GLU 172 Ca 0.47 -1.53 -0.30 0.00 0.36 0.00 0.00 54.97 53.97 1vhq s GLU 172 Cb -0.10 -4.18 -0.04 0.00 0.26 0.00 0.00 34.13 30.07 1vhq s GLU 172 CO 0.42 -1.17 0.97 -1.58 -0.54 0.00 0.00 175.26 173.37 1vhq s HIS 173 N 1.60 3.72 -0.25 5.30 5.65 -1.26 -1.83 115.29 128.22 1vhq s HIS 173 Ca 0.04 1.73 0.01 0.00 0.25 0.00 0.00 55.06 57.08 1vhq s HIS 173 Cb -0.27 -3.09 0.05 0.00 -1.18 0.00 0.00 32.58 28.09 1vhq s HIS 173 CO 0.04 0.07 -0.09 0.08 -0.65 0.00 0.00 174.74 174.20 1vhq s VAL 174 N 0.62 2.45 0.26 0.89 1.01 0.24 -4.94 120.40 120.93 1vhq s VAL 174 Ca 0.50 -1.36 -0.30 0.00 0.00 0.00 0.00 61.98 60.81 1vhq s VAL 174 Cb -0.22 -2.33 -0.13 0.00 0.00 0.00 0.00 36.38 33.70 1vhq s VAL 174 CO 0.28 0.09 1.41 -2.65 0.00 0.00 0.00 175.10 174.24 1vhq n PRO 175 N 4.54 2.14 -3.75 2.72 -0.02 -1.26 -4.44 135.00 134.93 1vhq n PRO 175 Ca -0.15 0.76 -0.12 0.00 -2.02 0.00 0.00 63.50 61.96 1vhq n PRO 175 Cb 0.44 -2.42 -0.11 0.00 -0.02 0.00 0.00 33.50 31.39 1vhq n PRO 175 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1vhq s PRO 177 N 0.62 1.81 0.51 0.00 0.04 -1.26 -4.16 135.00 132.57 1vhq s PRO 177 Ca -0.04 0.19 0.17 0.00 0.04 0.00 0.00 61.00 61.37 1vhq s PRO 177 Cb -0.05 -1.93 1.28 0.00 0.04 0.00 0.00 34.50 33.84 1vhq s PRO 177 CO -0.04 -1.71 2.13 -0.24 0.04 0.00 0.00 177.00 177.17 1vhq h VAL 178 N -1.15 0.96 -0.45 -0.36 3.04 -1.93 -2.68 116.25 113.70 1vhq h VAL 178 Ca -0.47 -0.15 0.00 0.00 -1.01 0.00 0.00 66.70 65.07 1vhq h VAL 178 Cb 1.32 1.08 0.00 0.00 -2.01 0.00 0.00 31.29 31.69 1vhq h VAL 178 CO 0.65 0.04 0.00 -0.90 -1.01 0.00 0.00 177.57 176.35 1vhq n ASP 179 N -4.39 4.23 -3.96 3.17 3.85 -1.26 -3.37 116.55 114.83 1vhq n ASP 179 Ca -0.03 -2.57 -0.20 0.00 -0.71 0.00 0.00 54.79 51.28 1vhq n ASP 179 Cb 0.13 -0.59 -0.09 0.00 -1.35 0.00 0.00 41.12 39.22 1vhq n ASP 179 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 1vhq s ASP 180 N -0.65 1.84 0.23 -1.12 -1.08 -1.01 -4.62 116.67 110.26 1vhq s ASP 180 Ca 0.40 -1.60 0.04 0.00 -0.52 0.00 0.00 52.55 50.87 1vhq s ASP 180 Cb 0.29 0.42 -0.05 0.00 -1.46 0.00 0.00 42.92 42.11 1vhq s ASP 180 CO 0.14 -0.91 -0.02 0.27 0.52 0.00 0.00 175.17 175.17 1vhq s ILE 181 N -3.50 1.16 -0.07 4.11 -4.36 -1.26 -4.56 121.20 112.73 1vhq s ILE 181 Ca 0.34 -2.05 0.04 0.00 -0.26 0.00 0.00 60.65 58.71 1vhq s ILE 181 Cb 0.04 -2.33 0.00 0.00 1.25 0.00 0.00 42.46 41.42 1vhq s ILE 181 CO 0.18 -0.35 -0.18 -0.69 0.24 0.00 0.00 174.94 174.14 1vhq s VAL 182 N -3.33 1.55 -0.06 8.37 1.01 -0.35 -4.99 120.40 122.61 1vhq s VAL 182 Ca 0.28 -0.74 0.04 0.00 0.00 0.00 0.00 61.98 61.55 1vhq s VAL 182 Cb 0.05 -1.36 0.00 0.00 0.00 0.00 0.00 36.38 35.07 1vhq s VAL 182 CO 0.09 0.45 -0.18 -0.69 0.00 0.00 0.00 175.10 174.76 1vhq s VAL 183 N 0.35 1.54 -0.83 2.92 1.01 -1.26 -0.65 120.40 123.48 1vhq s VAL 183 Ca -0.13 -0.75 -0.16 0.00 0.00 0.00 0.00 61.98 60.95 1vhq s VAL 183 Cb -0.15 -1.34 0.19 0.00 0.00 0.00 0.00 36.38 35.07 1vhq s VAL 183 CO 0.05 0.44 0.85 -0.62 0.00 0.00 0.00 175.10 175.82 1vhq s ASP 184 N 0.26 6.68 0.27 3.32 -1.08 0.28 -4.94 116.67 121.46 1vhq s ASP 184 Ca -0.10 -2.44 -0.01 0.00 -0.52 0.00 0.00 52.55 49.48 1vhq s ASP 184 Cb -0.14 -2.26 0.53 0.00 -1.46 0.00 0.00 42.92 39.59 1vhq s ASP 184 CO 0.04 -0.73 1.78 -0.33 0.52 0.00 0.00 175.17 176.45 1vhq h GLU 185 N 8.15 0.69 -0.18 4.34 4.39 -1.95 0.33 114.58 130.36 1vhq h GLU 185 Ca 0.09 -0.04 -0.11 0.00 0.34 0.00 0.00 59.36 59.64 1vhq h GLU 185 Cb 1.04 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 29.52 1vhq h GLU 185 CO 0.87 0.46 -0.37 -0.44 -1.16 0.00 0.00 179.01 178.37 1vhq h ASP 186 N 0.71 0.39 -0.15 1.42 5.19 -1.98 -3.15 116.42 118.86 1vhq h ASP 186 Ca 0.47 -0.16 0.00 0.00 -0.62 0.00 0.00 57.03 56.72 1vhq h ASP 186 Cb 0.61 -0.11 0.00 0.00 0.18 0.00 0.00 39.33 40.01 1vhq h ASP 186 CO -0.33 0.73 0.00 0.59 -3.12 0.00 0.00 179.24 177.11 1vhq n ASN 187 N -4.05 2.77 -3.69 6.45 3.02 -1.10 -5.00 115.26 113.65 1vhq n ASN 187 Ca -0.01 -1.82 -0.22 0.00 -0.03 0.00 0.00 54.58 52.49 1vhq n ASN 187 Cb 0.47 -0.09 0.04 0.00 -0.61 0.00 0.00 39.78 39.59 1vhq n ASN 187 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1vhq n LYS 188 N 1.08 -5.23 -4.16 3.52 5.02 0.11 -4.81 118.16 113.68 1vhq n LYS 188 Ca 0.13 0.65 -0.34 0.00 -2.02 0.00 0.00 58.31 56.72 1vhq n LYS 188 Cb 0.48 -5.30 -0.15 0.00 -0.02 0.00 0.00 35.03 30.04 1vhq n LYS 188 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1vhq s ILE 189 N -3.59 2.80 -0.15 -0.18 1.01 -0.96 -1.76 121.20 118.37 1vhq s ILE 189 Ca 0.09 -0.70 -0.02 0.00 0.00 0.00 0.00 60.65 60.02 1vhq s ILE 189 Cb -0.04 -2.22 -0.02 0.00 0.01 0.00 0.00 42.46 40.18 1vhq s ILE 189 CO 0.80 0.49 -0.08 -0.69 0.00 0.00 0.00 174.94 175.46 1vhq s VAL 190 N 1.21 3.44 0.08 2.92 1.01 0.03 -0.56 120.40 128.53 1vhq s VAL 190 Ca 0.02 -0.51 0.05 0.00 0.00 0.00 0.00 61.98 61.54 1vhq s VAL 190 Cb -0.14 -2.49 -0.03 0.00 0.00 0.00 0.00 36.38 33.72 1vhq s VAL 190 CO -0.05 0.50 -0.14 0.42 0.00 0.00 0.00 175.10 175.83 1vhq s THR 191 N 0.46 1.17 -0.05 3.92 -4.23 0.17 -1.52 115.64 115.56 1vhq s THR 191 Ca -0.06 -1.39 -0.12 0.00 -1.18 0.00 0.00 61.69 58.93 1vhq s THR 191 Cb -0.15 -1.17 0.02 0.00 1.34 0.00 0.00 72.50 72.54 1vhq s THR 191 CO 0.04 -0.26 0.28 0.28 -0.54 0.00 0.00 174.62 174.42 1vhq s THR 192 N -1.44 0.04 0.24 3.99 -1.32 -1.12 -1.21 115.64 114.82 1vhq s THR 192 Ca 0.00 -0.32 0.02 0.00 -1.21 0.00 0.00 61.69 60.19 1vhq s THR 192 Cb -0.09 -0.51 -0.02 0.00 -1.51 0.00 0.00 72.50 70.37 1vhq s THR 192 CO 0.02 -0.17 1.59 -0.65 -2.21 0.00 0.00 174.62 173.20 1vhq h PRO 193 N 4.64 0.38 0.00 7.08 0.11 -1.84 -3.47 132.00 138.90 1vhq h PRO 193 Ca -0.28 -0.22 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1vhq h PRO 193 Cb 1.18 0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1vhq h PRO 193 CO 0.37 0.80 0.00 0.00 -0.21 0.00 0.00 178.00 178.95 1vhq n ALA 194 N -2.49 0.00 -1.47 -0.75 0.00 -1.26 -4.22 120.51 110.32 1vhq n ALA 194 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.00 1vhq n ALA 194 Cb 0.56 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.99 1vhq n ALA 194 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1vhq n TYR 195 N 14.00 2.81 -0.01 0.00 4.01 -1.26 -0.36 117.16 136.35 1vhq n TYR 195 Ca 0.00 -2.51 0.09 0.00 -0.16 0.00 0.00 57.90 55.32 1vhq n TYR 195 Cb 0.00 -2.21 0.14 0.00 -0.31 0.00 0.00 39.34 36.96 1vhq n TYR 195 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 1vhq n LEU 197 N 6.51 0.00 -4.70 7.72 4.77 -1.26 -5.00 117.00 125.04 1vhq n LEU 197 Ca 0.52 0.33 -0.43 0.00 -0.03 0.00 0.00 56.01 56.39 1vhq n LEU 197 Cb 0.38 -0.08 -0.01 0.00 -2.33 0.00 0.00 43.42 41.38 1vhq n LEU 197 CO 0.95 -0.33 0.99 0.00 -1.33 0.00 0.00 177.39 177.67 1vhq n ALA 198 N -1.49 1.41 0.77 -1.18 0.00 0.52 -4.89 120.51 115.65 1vhq n ALA 198 Ca 0.07 0.38 0.10 0.00 0.00 0.00 0.00 53.44 54.00 1vhq n ALA 198 Cb 0.66 -2.29 -0.10 0.00 0.00 0.00 0.00 19.45 17.73 1vhq n ALA 198 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1vhq n GLN 199 N 1.27 0.15 -3.85 0.00 1.13 -1.26 -4.97 117.38 109.86 1vhq n GLN 199 Ca 0.07 -0.04 -0.08 0.00 -1.94 0.00 0.00 57.00 55.02 1vhq n GLN 199 Cb 0.35 -1.51 -0.01 0.00 0.11 0.00 0.00 30.24 29.18 1vhq n GLN 199 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1vhq s ASN 200 N -3.37 -0.18 0.30 1.08 2.20 -1.26 -5.05 114.94 108.66 1vhq s ASN 200 Ca 0.05 -0.77 0.04 0.00 -0.94 0.00 0.00 52.86 51.23 1vhq s ASN 200 Cb 0.16 0.77 0.47 0.00 -2.00 0.00 0.00 41.25 40.64 1vhq s ASN 200 CO 0.86 -1.45 1.76 -0.29 -2.94 0.00 0.00 177.10 175.04 1vhq h ILE 201 N 2.00 1.25 -0.75 0.54 2.10 -2.00 -2.37 117.51 118.29 1vhq h ILE 201 Ca -0.23 -1.19 -0.05 0.00 1.08 0.00 0.00 64.86 64.47 1vhq h ILE 201 Cb 1.25 1.32 -0.03 0.00 -1.09 0.00 0.00 36.82 38.27 1vhq h ILE 201 CO 0.28 0.38 0.28 0.00 -1.08 0.00 0.00 178.15 178.01 1vhq h ALA 202 N 1.37 1.08 -0.12 0.18 0.00 -1.99 -0.07 119.26 119.72 1vhq h ALA 202 Ca 0.06 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 1vhq h ALA 202 Cb 0.61 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1vhq h ALA 202 CO 0.04 0.64 0.06 0.93 0.00 0.00 0.00 179.25 180.93 1vhq h GLU 203 N 1.09 0.17 -0.60 0.00 5.08 -1.88 -2.20 114.58 116.24 1vhq h GLU 203 Ca 0.25 -0.02 0.07 0.00 -1.00 0.00 0.00 59.36 58.65 1vhq h GLU 203 Cb 0.24 -0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.39 1vhq h GLU 203 CO -0.02 0.22 0.28 0.00 -1.00 0.00 0.00 179.01 178.49 1vhq h ALA 204 N 0.94 0.78 -0.51 3.43 0.00 -0.95 -2.45 119.26 120.50 1vhq h ALA 204 Ca 0.04 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1vhq h ALA 204 Cb 0.11 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1vhq h ALA 204 CO -0.01 -0.09 0.27 0.00 0.00 0.00 0.00 179.25 179.42 1vhq h ALA 205 N 1.36 1.51 -0.63 0.00 0.00 -0.80 -1.73 119.26 118.98 1vhq h ALA 205 Ca 0.28 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 1vhq h ALA 205 Cb 0.26 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 1vhq h ALA 205 CO -0.23 0.40 0.26 0.66 0.00 0.00 0.00 179.25 180.35 1vhq h SER 206 N 0.71 0.85 -0.11 0.00 4.64 -0.90 0.59 113.55 119.34 1vhq h SER 206 Ca 0.18 -0.16 -0.13 0.00 -0.47 0.00 0.00 61.79 61.21 1vhq h SER 206 Cb 0.04 -0.22 0.01 0.00 -0.31 0.00 0.00 62.40 61.91 1vhq h SER 206 CO -0.03 0.78 -0.46 1.23 -0.87 0.00 0.00 176.83 177.49 1vhq h GLY 207 N 0.87 0.55 0.99 -0.77 0.00 -1.49 -2.81 103.07 100.42 1vhq h GLY 207 Ca 0.21 -0.75 -0.02 0.00 0.00 0.00 0.00 47.33 46.76 1vhq h GLY 207 CO -0.02 0.67 0.28 -2.22 0.00 0.00 0.00 176.54 175.26 1vhq h ILE 208 N 0.09 1.21 -0.98 2.60 2.04 -1.14 -0.84 117.51 120.49 1vhq h ILE 208 Ca -0.03 -0.60 0.05 0.00 1.00 0.00 0.00 64.86 65.28 1vhq h ILE 208 Cb 1.10 0.52 -0.06 0.00 -0.74 0.00 0.00 36.82 37.63 1vhq h ILE 208 CO 0.10 0.24 0.63 0.44 0.00 0.00 0.00 178.15 179.56 1vhq h ASP 209 N 0.80 1.04 -0.50 1.72 3.32 -0.89 0.43 116.42 122.34 1vhq h ASP 209 Ca 0.20 -0.00 -0.13 0.00 0.02 0.00 0.00 57.03 57.13 1vhq h ASP 209 Cb 0.12 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.43 1vhq h ASP 209 CO -0.03 0.69 -0.18 0.50 -1.72 0.00 0.00 179.24 178.51 1vhq h LYS 210 N 1.20 1.01 -0.01 3.56 3.64 -1.15 -1.35 116.57 123.46 1vhq h LYS 210 Ca 0.40 -0.41 -0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1vhq h LYS 210 Cb 0.07 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 31.84 1vhq h LYS 210 CO -0.14 1.09 0.00 1.25 -2.27 0.00 0.00 179.45 179.38 1vhq h LEU 211 N 0.88 0.01 -0.75 5.20 6.46 -0.54 -1.09 115.31 125.49 1vhq h LEU 211 Ca 0.12 -0.15 -0.02 0.00 -0.12 0.00 0.00 57.88 57.71 1vhq h LEU 211 Cb 0.75 -0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 40.64 1vhq h LEU 211 CO 0.06 0.16 0.39 0.58 -0.62 0.00 0.00 178.44 179.01 1vhq h VAL 212 N -0.13 1.23 -0.19 1.05 2.07 -0.84 -0.69 116.25 118.75 1vhq h VAL 212 Ca 0.00 -0.62 0.00 0.00 0.82 0.00 0.00 66.70 66.91 1vhq h VAL 212 Cb 0.15 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 30.18 1vhq h VAL 212 CO -0.00 0.27 0.12 0.28 0.02 0.00 0.00 177.57 178.26 1vhq h SER 213 N 1.04 0.22 -0.84 0.57 0.02 -1.04 -0.43 113.55 113.10 1vhq h SER 213 Ca 0.26 -0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 61.17 1vhq h SER 213 Cb 0.07 -0.06 -0.04 0.00 0.14 0.00 0.00 62.40 62.52 1vhq h SER 213 CO -0.04 0.17 0.45 -0.09 -1.14 0.00 0.00 176.83 176.18 1vhq h ARG 214 N 0.25 1.18 -0.63 3.45 9.65 -0.82 -1.30 114.38 126.15 1vhq h ARG 214 Ca 0.07 -0.14 -0.01 0.00 -1.10 0.00 0.00 59.98 58.79 1vhq h ARG 214 Cb -0.01 -0.23 -0.03 0.00 -1.39 0.00 0.00 29.97 28.31 1vhq h ARG 214 CO -0.01 0.87 0.35 0.28 2.80 0.00 0.00 179.97 184.26 1vhq h VAL 215 N 1.17 1.20 -0.60 0.20 2.07 -0.88 -0.21 116.25 119.20 1vhq h VAL 215 Ca 0.29 -0.48 -0.06 0.00 0.82 0.00 0.00 66.70 67.27 1vhq h VAL 215 Cb 0.05 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 30.16 1vhq h VAL 215 CO -0.05 0.21 0.13 -0.07 0.02 0.00 0.00 177.57 177.81 1vhq h LEU 216 N 0.86 0.92 -0.22 2.57 3.38 -0.64 0.09 115.31 122.27 1vhq h LEU 216 Ca 0.22 -0.24 0.01 0.00 0.09 0.00 0.00 57.88 57.96 1vhq h LEU 216 Cb 0.03 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 1vhq h LEU 216 CO -0.04 0.93 0.12 0.58 0.09 0.00 0.00 178.44 180.12 1vhq h VAL 217 N 0.88 1.01 -0.39 1.22 2.07 -0.70 -1.54 116.25 118.79 1vhq h VAL 217 Ca 0.18 -0.08 0.01 0.00 0.82 0.00 0.00 66.70 67.63 1vhq h VAL 217 Cb 0.38 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 30.87 1vhq h VAL 217 CO 0.01 0.04 0.26 -0.07 0.02 0.00 0.00 177.57 177.83 1vhq h LEU 218 N 0.25 0.42 0.00 2.57 4.07 -0.71 -3.52 115.31 118.38 1vhq h LEU 218 Ca 0.09 -0.01 0.00 0.00 0.08 0.00 0.00 57.88 58.04 1vhq h LEU 218 Cb 0.01 -0.10 0.00 0.00 1.08 0.00 0.00 40.66 41.65 1vhq h LEU 218 CO -0.06 0.30 0.00 0.00 -1.08 0.00 0.00 178.44 177.60