#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vac h MET 0 N 0.00 0.20 -7.28 4.33 2.86 -2.08 -3.45 114.93 109.51 2vac h MET 0 Ca 0.00 -0.07 -0.52 0.00 -2.06 0.00 0.00 59.70 57.05 2vac h MET 0 Cb 0.00 -0.02 0.17 0.00 0.06 0.00 0.00 31.60 31.81 2vac h MET 0 CO 0.00 0.47 0.27 0.20 1.06 0.00 0.00 176.91 178.91 2vac s GLY 6 N -4.15 1.72 0.15 8.32 0.00 -1.26 -4.97 107.32 107.13 2vac s GLY 6 Ca -0.05 0.49 -0.31 0.00 0.00 0.00 0.00 44.72 44.85 2vac s GLY 6 CO 0.75 0.87 1.41 -0.42 0.00 0.00 0.00 173.10 175.71 2vac s ILE 7 N -2.71 3.10 0.17 0.90 -1.09 -1.26 -5.04 121.20 115.27 2vac s ILE 7 Ca 0.65 0.82 0.07 0.00 -2.23 0.00 0.00 60.65 59.97 2vac s ILE 7 Cb -0.21 -3.53 -0.04 0.00 -1.58 0.00 0.00 42.46 37.10 2vac s ILE 7 CO 0.56 0.08 -0.01 -1.00 -1.23 0.00 0.00 174.94 173.35 2vac s HIS 8 N 0.80 2.85 0.17 3.97 3.76 -1.26 -4.88 115.29 120.69 2vac s HIS 8 Ca 0.63 -0.13 -0.30 0.00 -0.15 0.00 0.00 55.06 55.11 2vac s HIS 8 Cb -0.38 -1.39 -0.08 0.00 1.11 0.00 0.00 32.58 31.84 2vac s HIS 8 CO 0.33 0.51 1.17 0.00 -0.85 0.00 0.00 174.74 175.90 2vac s ALA 9 N -1.68 3.41 0.84 -1.40 0.00 -1.26 -0.70 121.76 120.97 2vac s ALA 9 Ca 0.27 0.90 -0.11 0.00 0.00 0.00 0.00 51.96 53.02 2vac s ALA 9 Cb -0.09 -3.40 0.10 0.00 0.00 0.00 0.00 23.12 19.73 2vac s ALA 9 CO 0.18 -0.33 1.13 0.95 0.00 0.00 0.00 175.76 177.69 2vac s THR 10 N 0.00 2.57 0.39 0.00 -4.23 -0.91 -4.85 115.64 108.62 2vac s THR 10 Ca 0.52 0.19 0.09 0.00 -1.18 0.00 0.00 61.69 61.32 2vac s THR 10 Cb -0.31 -2.43 0.17 0.00 1.34 0.00 0.00 72.50 71.26 2vac s THR 10 CO 0.35 -0.23 1.93 -0.33 -0.54 0.00 0.00 174.62 175.80 2vac h GLU 11 N -1.45 0.26 -0.45 3.99 4.39 -1.96 -1.88 114.58 117.48 2vac h GLU 11 Ca -0.44 -0.06 -0.03 0.00 0.34 0.00 0.00 59.36 59.18 2vac h GLU 11 Cb 1.26 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.85 2vac h GLU 11 CO 0.46 0.37 0.15 0.93 -1.16 0.00 0.00 179.01 179.77 2vac h GLU 12 N 0.25 0.69 -0.33 2.33 3.07 -1.96 -0.02 114.58 118.61 2vac h GLU 12 Ca 0.05 -0.14 -0.02 0.00 -0.50 0.00 0.00 59.36 58.75 2vac h GLU 12 Cb 0.34 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 28.13 2vac h GLU 12 CO 0.02 0.66 0.14 1.25 -1.40 0.00 0.00 179.01 179.68 2vac h LEU 13 N 0.59 0.45 -0.70 1.33 5.85 -1.81 0.17 115.31 121.20 2vac h LEU 13 Ca 0.15 -0.15 0.07 0.00 0.84 0.00 0.00 57.88 58.79 2vac h LEU 13 Cb 0.24 -0.12 -0.06 0.00 0.37 0.00 0.00 40.66 41.10 2vac h LEU 13 CO -0.01 0.48 0.38 0.11 -0.34 0.00 0.00 178.44 179.06 2vac h LYS 14 N 0.39 0.66 -0.67 1.25 1.57 -1.19 -0.14 116.57 118.45 2vac h LYS 14 Ca 0.11 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.83 2vac h LYS 14 Cb 0.16 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.29 2vac h LYS 14 CO -0.01 0.44 0.33 1.49 -0.57 0.00 0.00 179.45 181.12 2vac h GLU 15 N 0.68 0.96 -0.69 3.15 4.57 -0.75 -2.35 114.58 120.14 2vac h GLU 15 Ca 0.32 -0.14 -0.03 0.00 -1.18 0.00 0.00 59.36 58.34 2vac h GLU 15 Cb 0.25 -0.17 -0.03 0.00 -0.16 0.00 0.00 28.75 28.63 2vac h GLU 15 CO -0.21 0.75 0.31 0.35 -1.18 0.00 0.00 179.01 179.03 2vac h PHE 16 N 0.92 1.02 -0.45 0.92 3.57 -0.27 -1.52 116.94 121.14 2vac h PHE 16 Ca 0.23 -0.06 0.09 0.00 3.53 0.00 0.00 57.97 61.76 2vac h PHE 16 Cb 0.11 -0.31 -0.10 0.00 2.79 0.00 0.00 35.95 38.44 2vac h PHE 16 CO 0.00 0.77 -0.26 0.74 -2.23 0.00 0.00 178.31 177.33 2vac h PHE 17 N 0.97 -0.69 -0.95 0.41 0.04 -0.70 0.25 116.94 116.26 2vac h PHE 17 Ca 0.24 0.05 0.02 0.00 2.80 0.00 0.00 57.97 61.08 2vac h PHE 17 Cb 0.15 0.37 -0.05 0.00 2.20 0.00 0.00 35.95 38.62 2vac h PHE 17 CO 0.01 -0.33 0.63 0.00 -0.60 0.00 0.00 178.31 178.01 2vac h ALA 18 N 1.03 1.24 -0.29 2.45 0.00 -1.02 -1.11 119.26 121.56 2vac h ALA 18 Ca 0.20 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 2vac h ALA 18 Cb 0.50 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2vac h ALA 18 CO -0.55 0.55 0.15 -0.22 0.00 0.00 0.00 179.25 179.19 2vac h LYS 19 N 1.25 0.41 -0.96 0.00 3.64 -0.29 -2.88 116.57 117.73 2vac h LYS 19 Ca 0.37 -0.05 0.02 0.00 -1.27 0.00 0.00 60.65 59.72 2vac h LYS 19 Cb -0.07 -0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 31.62 2vac h LYS 19 CO -0.10 0.36 0.63 0.00 -2.27 0.00 0.00 179.45 178.07 2vac h ALA 20 N 1.02 1.25 0.00 5.00 0.00 0.09 -1.45 119.26 125.16 2vac h ALA 20 Ca 0.10 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2vac h ALA 20 Cb 0.08 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.51 2vac h ALA 20 CO -0.02 0.56 0.00 0.00 0.00 0.00 0.00 179.25 179.79 2vac h ARG 21 N 1.26 0.00 0.00 0.00 3.08 -1.08 -2.01 114.38 115.63 2vac h ARG 21 Ca 0.37 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 60.31 2vac h ARG 21 Cb -0.07 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 29.96 2vac h ARG 21 CO -0.10 0.00 -0.51 0.00 -1.07 0.00 0.00 179.97 178.29 2vac h ALA 22 N 2.00 0.95 0.00 0.04 0.00 -1.05 -3.42 119.26 117.78 2vac h ALA 22 Ca 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2vac h ALA 22 Cb 0.54 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2vac h ALA 22 CO 0.00 0.63 0.00 0.41 0.00 0.00 0.00 179.25 180.29 2vac n GLY 23 N 0.32 1.07 2.52 0.00 0.00 -0.75 -5.04 105.19 103.31 2vac n GLY 23 Ca -0.01 -2.09 -0.02 0.00 0.00 0.00 0.00 46.02 43.90 2vac n GLY 23 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2vac n SER 24 N 0.00 -4.66 -3.88 1.61 7.64 -1.26 -4.53 113.62 108.54 2vac n SER 24 Ca 0.00 0.06 -0.26 0.00 1.01 0.00 0.00 58.87 59.68 2vac n SER 24 Cb 0.00 -2.37 -0.17 0.00 -1.01 0.00 0.00 64.21 60.66 2vac n SER 24 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2vac s VAL 25 N -1.64 0.90 -0.09 0.44 1.01 -1.26 -4.27 120.40 115.50 2vac s VAL 25 Ca 0.00 -0.21 -0.06 0.00 0.00 0.00 0.00 61.98 61.71 2vac s VAL 25 Cb 0.00 -0.95 -0.27 0.00 0.00 0.00 0.00 36.38 35.16 2vac s VAL 25 CO 0.00 0.35 0.50 -0.09 0.00 0.00 0.00 175.10 175.86 2vac h ARG 26 N 8.20 0.27 -3.62 2.72 9.65 -0.68 -3.44 114.38 127.49 2vac h ARG 26 Ca -0.28 -0.47 -0.25 0.00 -1.10 0.00 0.00 59.98 57.88 2vac h ARG 26 Cb 1.13 0.17 -0.30 0.00 -1.39 0.00 0.00 29.97 29.59 2vac h ARG 26 CO 0.38 1.18 -0.70 -1.17 2.80 0.00 0.00 179.97 182.45 2vac s LEU 27 N -7.02 1.63 -0.12 3.80 0.20 -1.02 -0.12 118.68 116.02 2vac s LEU 27 Ca -0.18 0.05 0.02 0.00 0.69 0.00 0.00 54.13 54.71 2vac s LEU 27 Cb 0.06 0.04 0.01 0.00 -0.43 0.00 0.00 46.19 45.88 2vac s LEU 27 CO 0.80 -0.05 -0.17 -0.63 -0.29 0.00 0.00 176.35 176.01 2vac s ILE 28 N 0.37 1.68 -0.24 6.68 1.01 -0.15 -1.62 121.20 128.93 2vac s ILE 28 Ca -0.03 -0.75 -0.08 0.00 0.00 0.00 0.00 60.65 59.80 2vac s ILE 28 Cb -0.04 -1.52 -0.03 0.00 0.01 0.00 0.00 42.46 40.88 2vac s ILE 28 CO -0.01 0.48 0.08 -0.75 0.00 0.00 0.00 174.94 174.73 2vac s LYS 29 N 0.95 3.73 -0.13 2.79 2.20 -0.08 -0.27 119.74 128.93 2vac s LYS 29 Ca -0.06 -0.44 -0.03 0.00 -0.36 0.00 0.00 55.97 55.08 2vac s LYS 29 Cb -0.15 -3.33 -0.03 0.00 -1.51 0.00 0.00 37.83 32.81 2vac s LYS 29 CO -0.02 -0.11 -0.03 0.08 -0.36 0.00 0.00 175.35 174.91 2vac s VAL 30 N 1.42 3.98 0.18 4.02 1.01 -0.02 -0.49 120.40 130.51 2vac s VAL 30 Ca 0.06 -0.35 0.01 0.00 0.00 0.00 0.00 61.98 61.70 2vac s VAL 30 Cb -0.15 -2.71 -0.05 0.00 0.00 0.00 0.00 36.38 33.48 2vac s VAL 30 CO 0.04 0.53 0.03 0.68 0.00 0.00 0.00 175.10 176.38 2vac s VAL 31 N -0.11 0.58 -0.22 2.92 -7.23 -0.81 -2.08 120.40 113.46 2vac s VAL 31 Ca 0.03 -1.98 -0.08 0.00 -1.81 0.00 0.00 61.98 58.14 2vac s VAL 31 Cb -0.13 -2.21 -0.04 0.00 0.56 0.00 0.00 36.38 34.56 2vac s VAL 31 CO 0.02 -0.38 0.07 -0.63 -0.31 0.00 0.00 175.10 173.88 2vac s ILE 32 N -3.73 4.57 -0.06 -0.62 1.01 -1.26 -0.90 121.20 120.21 2vac s ILE 32 Ca 0.27 -0.10 0.00 0.00 0.00 0.00 0.00 60.65 60.83 2vac s ILE 32 Cb 0.07 -3.10 0.02 0.00 0.01 0.00 0.00 42.46 39.45 2vac s ILE 32 CO 0.06 0.38 -0.05 -0.70 0.00 0.00 0.00 174.94 174.63 2vac s GLU 33 N 1.12 0.99 -1.41 2.79 2.12 0.21 -4.85 118.70 119.66 2vac s GLU 33 Ca 0.04 -0.11 -0.02 0.00 0.36 0.00 0.00 54.97 55.24 2vac s GLU 33 Cb -0.14 -1.05 0.00 0.00 0.26 0.00 0.00 34.13 33.20 2vac s GLU 33 CO 0.03 -0.15 0.37 -0.25 -0.54 0.00 0.00 175.26 174.72 2vac n ASP 34 N 4.41 -0.44 -2.71 -1.70 8.00 -1.26 -1.52 116.55 121.33 2vac n ASP 34 Ca -0.19 -1.07 -0.22 0.00 0.71 0.00 0.00 54.79 54.03 2vac n ASP 34 Cb 0.51 -2.77 0.01 0.00 -0.02 0.00 0.00 41.12 38.85 2vac n ASP 34 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2vac n GLU 35 N -4.44 -3.27 -4.02 -1.24 1.02 -1.26 -5.00 120.64 102.43 2vac n GLU 35 Ca -0.30 0.95 -0.11 0.00 -0.02 0.00 0.00 57.16 57.68 2vac n GLU 35 Cb 0.68 -5.71 -0.11 0.00 -0.02 0.00 0.00 31.44 26.27 2vac n GLU 35 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 2vac s GLN 36 N -5.38 0.41 -0.15 3.49 -0.21 -0.58 -4.38 119.66 112.86 2vac s GLN 36 Ca 0.15 -0.64 -0.26 0.00 0.02 0.00 0.00 55.36 54.63 2vac s GLN 36 Cb -0.07 -0.10 -0.02 0.00 1.00 0.00 0.00 33.01 33.82 2vac s GLN 36 CO 0.19 0.01 0.85 -0.51 -2.12 0.00 0.00 175.29 173.70 2vac s LEU 37 N -1.41 4.20 0.22 2.90 1.43 0.12 -0.62 118.68 125.52 2vac s LEU 37 Ca -0.12 1.23 0.01 0.00 -1.03 0.00 0.00 54.13 54.22 2vac s LEU 37 Cb -0.09 -3.27 -0.05 0.00 0.03 0.00 0.00 46.19 42.81 2vac s LEU 37 CO -0.00 -0.39 0.07 0.68 0.23 0.00 0.00 176.35 176.94 2vac s VAL 38 N 2.03 0.50 -0.35 -1.59 -7.23 -0.08 -2.13 120.40 111.56 2vac s VAL 38 Ca 0.40 -1.99 -0.29 0.00 -1.81 0.00 0.00 61.98 58.29 2vac s VAL 38 Cb -0.17 -2.45 0.02 0.00 0.56 0.00 0.00 36.38 34.34 2vac s VAL 38 CO 0.14 -0.15 1.12 -0.22 -0.31 0.00 0.00 175.10 175.68 2vac s LEU 39 N -3.24 3.87 0.00 1.32 2.96 -1.26 -1.92 118.68 120.41 2vac s LEU 39 Ca 0.34 0.97 -0.09 0.00 -0.22 0.00 0.00 54.13 55.12 2vac s LEU 39 Cb 0.07 -3.54 -0.31 0.00 0.50 0.00 0.00 46.19 42.91 2vac s LEU 39 CO 0.10 -0.98 0.88 1.23 -1.32 0.00 0.00 176.35 176.26 2vac h GLY 40 N 10.43 0.43 -3.41 7.98 0.00 -1.12 -3.47 103.07 113.90 2vac h GLY 40 Ca -0.22 -1.10 0.05 0.00 0.00 0.00 0.00 47.33 46.07 2vac h GLY 40 CO 1.05 0.96 0.39 0.00 0.00 0.00 0.00 176.54 178.94 2vac s ALA 41 N -2.61 -1.76 0.06 3.60 0.00 -1.11 -4.98 121.76 114.95 2vac s ALA 41 Ca -0.10 0.94 -0.15 0.00 0.00 0.00 0.00 51.96 52.64 2vac s ALA 41 Cb 0.06 0.41 0.03 0.00 0.00 0.00 0.00 23.12 23.62 2vac s ALA 41 CO 0.88 -0.65 0.35 -1.54 0.00 0.00 0.00 175.76 174.80 2vac s SER 42 N -2.32 -0.18 -0.04 0.00 1.04 -1.26 -0.90 113.70 110.04 2vac s SER 42 Ca 0.02 -0.16 -0.06 0.00 0.48 0.00 0.00 55.95 56.22 2vac s SER 42 Cb -0.01 0.39 0.01 0.00 0.10 0.00 0.00 66.02 66.52 2vac s SER 42 CO -0.08 -0.67 0.15 -1.10 0.98 0.00 0.00 173.24 172.53 2vac s GLN 43 N -2.74 0.30 0.54 4.02 -0.21 -0.64 -4.99 119.66 115.95 2vac s GLN 43 Ca -0.04 -0.01 -0.12 0.00 0.02 0.00 0.00 55.36 55.22 2vac s GLN 43 Cb -0.00 0.13 -0.05 0.00 1.00 0.00 0.00 33.01 34.09 2vac s GLN 43 CO -0.04 -0.06 0.94 -1.83 -2.12 0.00 0.00 175.29 172.18 2vac s GLU 44 N -0.48 3.71 0.60 2.91 -1.05 -1.26 -0.03 118.70 123.11 2vac s GLU 44 Ca -0.06 0.68 -0.19 0.00 -0.15 0.00 0.00 54.97 55.26 2vac s GLU 44 Cb -0.04 -2.18 -0.03 0.00 -0.44 0.00 0.00 34.13 31.44 2vac s GLU 44 CO 0.01 -0.36 1.22 -2.14 0.95 0.00 0.00 175.26 174.94 2vac s PRO 45 N -4.62 2.92 0.06 -4.83 0.02 -1.26 -4.52 135.00 122.77 2vac s PRO 45 Ca 0.54 1.85 -0.02 0.00 0.02 0.00 0.00 61.00 63.39 2vac s PRO 45 Cb -0.10 -1.92 -0.01 0.00 0.02 0.00 0.00 34.50 32.49 2vac s PRO 45 CO 0.43 -1.25 -0.04 0.28 -0.33 0.00 0.00 177.00 176.09 2vac n VAL 46 N -1.63 1.14 -1.08 3.83 0.31 -1.26 -5.00 118.33 114.63 2vac n VAL 46 Ca 0.14 0.33 0.00 0.00 -0.01 0.00 0.00 64.34 64.80 2vac n VAL 46 Cb 0.49 -1.66 0.00 0.00 -0.91 0.00 0.00 33.84 31.77 2vac n VAL 46 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2vac n GLY 47 N 3.22 5.17 3.76 2.92 0.00 -1.26 -5.10 105.19 113.90 2vac n GLY 47 Ca -0.02 -1.63 -0.31 0.00 0.00 0.00 0.00 46.02 44.06 2vac n GLY 47 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2vac s ARG 48 N 3.37 2.07 0.28 1.61 0.52 -1.26 -4.77 118.95 120.78 2vac s ARG 48 Ca 0.00 1.08 0.02 0.00 -0.52 0.00 0.00 55.73 56.31 2vac s ARG 48 Cb 0.00 -1.88 0.62 0.00 0.52 0.00 0.00 34.95 34.21 2vac s ARG 48 CO 0.00 -1.75 1.78 0.11 0.02 0.00 0.00 175.30 175.46 2vac h TRP 49 N -1.20 0.97 -0.13 -0.53 5.08 -1.92 -0.27 115.95 117.95 2vac h TRP 49 Ca -0.45 0.03 -0.17 0.00 1.08 0.00 0.00 58.89 59.39 2vac h TRP 49 Cb 1.24 -0.29 -0.01 0.00 -3.00 0.00 0.00 29.16 27.11 2vac h TRP 49 CO 0.55 0.26 -0.63 0.38 -1.28 0.00 0.00 178.44 177.72 2vac h ASP 50 N 0.76 0.54 -0.40 0.11 2.03 -1.94 -2.87 116.42 114.65 2vac h ASP 50 Ca 0.52 -0.31 -0.12 0.00 -0.73 0.00 0.00 57.03 56.39 2vac h ASP 50 Cb 0.72 -0.16 -0.02 0.00 -0.83 0.00 0.00 39.33 39.05 2vac h ASP 50 CO -0.35 1.03 -0.19 1.56 -1.03 0.00 0.00 179.24 180.26 2vac h GLN 51 N 0.34 0.89 0.00 4.15 4.20 -1.67 -3.10 115.11 119.94 2vac h GLN 51 Ca -0.01 -0.35 0.00 0.00 0.06 0.00 0.00 58.65 58.35 2vac h GLN 51 Cb 1.18 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.91 2vac h GLN 51 CO 0.11 1.00 0.00 -0.44 -0.67 0.00 0.00 178.83 178.83 2vac h ASP 52 N 0.78 0.00 0.38 1.46 3.32 -1.06 -3.42 116.42 117.88 2vac h ASP 52 Ca 0.11 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.14 2vac h ASP 52 Cb 0.73 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.28 2vac h ASP 52 CO 0.06 0.00 -0.20 0.22 -1.72 0.00 0.00 179.24 177.60 2vac h TYR 53 N 0.00 -0.51 -0.68 4.55 3.20 -1.42 -1.61 116.97 120.49 2vac h TYR 53 Ca 0.00 -0.01 -0.08 0.00 3.14 0.00 0.00 58.73 61.78 2vac h TYR 53 Cb 0.64 0.17 -0.03 0.00 1.54 0.00 0.00 36.73 39.06 2vac h TYR 53 CO 0.00 -0.31 0.13 -0.44 -1.64 0.00 0.00 178.16 175.90 2vac h ASP 54 N -0.53 1.07 0.55 -2.11 3.32 -1.81 0.37 116.42 117.28 2vac h ASP 54 Ca -0.05 -0.25 -0.06 0.00 0.02 0.00 0.00 57.03 56.69 2vac h ASP 54 Cb 0.41 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 2vac h ASP 54 CO 0.08 1.05 -0.28 0.08 -1.72 0.00 0.00 179.24 178.45 2vac h ARG 55 N 1.05 0.00 0.00 3.56 0.11 -1.84 -1.81 114.38 115.46 2vac h ARG 55 Ca 0.21 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.29 2vac h ARG 55 Cb 0.42 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.50 2vac h ARG 55 CO 0.01 0.28 -0.00 0.00 0.10 0.00 0.00 179.97 180.36 2vac h ALA 56 N 1.72 -0.00 0.12 0.08 0.00 -0.87 -3.42 119.26 116.89 2vac h ALA 56 Ca -0.00 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 2vac h ALA 56 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.42 2vac h ALA 56 CO 0.04 -0.00 -0.06 0.28 0.00 0.00 0.00 179.25 179.51 2vac h VAL 57 N -1.00 0.82 -0.65 0.00 2.07 -0.90 -3.39 116.25 113.21 2vac h VAL 57 Ca -0.00 -1.30 -0.02 0.00 0.82 0.00 0.00 66.70 66.21 2vac h VAL 57 Cb 0.72 1.45 -0.03 0.00 -1.52 0.00 0.00 31.29 31.91 2vac h VAL 57 CO 0.00 0.24 0.34 -0.07 0.02 0.00 0.00 177.57 178.10 2vac h LEU 58 N -0.92 0.82 -2.05 2.57 3.38 -1.54 -2.25 115.31 115.32 2vac h LEU 58 Ca -0.02 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.84 2vac h LEU 58 Cb 0.51 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.05 2vac h LEU 58 CO 0.03 0.70 0.00 -0.65 0.09 0.00 0.00 178.44 178.61 2vac h PRO 59 N 0.89 0.00 -0.01 1.13 0.11 -1.76 -2.82 132.00 129.53 2vac h PRO 59 Ca 0.23 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.34 2vac h PRO 59 Cb 0.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.18 2vac h PRO 59 CO -0.03 0.00 -0.04 1.28 -0.21 0.00 0.00 178.00 179.00 2vac n LEU 60 N -2.89 1.36 -4.50 2.35 4.77 -0.85 -4.84 117.00 112.40 2vac n LEU 60 Ca -0.01 -0.44 -0.43 0.00 -0.03 0.00 0.00 56.01 55.10 2vac n LEU 60 Cb 0.16 -0.02 -0.08 0.00 -2.33 0.00 0.00 43.42 41.15 2vac n LEU 60 CO 0.21 0.23 0.21 -0.76 -1.33 0.00 0.00 177.39 175.95 2vac s LEU 61 N -2.08 4.70 0.11 2.23 1.43 -1.07 -5.04 118.68 118.96 2vac s LEU 61 Ca 0.36 -0.51 -0.28 0.00 -1.03 0.00 0.00 54.13 52.68 2vac s LEU 61 Cb 0.21 -2.52 -0.06 0.00 0.03 0.00 0.00 46.19 43.85 2vac s LEU 61 CO 0.36 -0.64 0.87 -0.62 0.23 0.00 0.00 176.35 176.55 2vac s ASP 62 N 1.87 7.40 0.60 2.29 -1.08 -1.26 -4.96 116.67 121.53 2vac s ASP 62 Ca 0.16 1.67 0.40 0.00 -0.52 0.00 0.00 52.55 54.27 2vac s ASP 62 Cb -0.16 -2.54 2.16 0.00 -1.46 0.00 0.00 42.92 40.93 2vac s ASP 62 CO 0.15 0.02 2.23 0.00 0.52 0.00 0.00 175.17 178.09 2vac h ALA 63 N 5.31 1.00 0.00 3.66 0.00 -2.00 -3.21 119.26 124.02 2vac h ALA 63 Ca -0.44 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.45 2vac h ALA 63 Cb 1.21 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.95 2vac h ALA 63 CO 0.70 0.00 -0.54 0.00 0.00 0.00 0.00 179.25 179.42 2vac n GLN 64 N -2.93 0.08 -4.14 0.00 10.64 -1.26 -4.37 117.38 115.41 2vac n GLN 64 Ca -0.03 -1.21 -0.18 0.00 -1.83 0.00 0.00 57.00 53.75 2vac n GLN 64 Cb 0.08 -0.50 -0.16 0.00 -0.86 0.00 0.00 30.24 28.80 2vac n GLN 64 CO 0.00 0.00 0.00 -0.65 -1.83 0.00 0.00 177.06 174.58 2vac s GLN 65 N -0.17 0.59 0.83 2.61 -0.21 -1.21 -4.17 119.66 117.93 2vac s GLN 65 Ca 0.06 -0.11 -0.11 0.00 0.02 0.00 0.00 55.36 55.22 2vac s GLN 65 Cb 0.06 -0.62 0.09 0.00 1.00 0.00 0.00 33.01 33.55 2vac s GLN 65 CO -0.02 -0.01 1.10 -2.14 -2.12 0.00 0.00 175.29 172.11 2vac s PRO 66 N 0.50 1.76 0.38 2.91 0.02 -1.26 -4.34 135.00 134.97 2vac s PRO 66 Ca -0.06 1.20 -0.14 0.00 0.02 0.00 0.00 61.00 62.02 2vac s PRO 66 Cb -0.10 -1.84 0.05 0.00 0.02 0.00 0.00 34.50 32.64 2vac s PRO 66 CO -0.00 -2.00 0.76 0.00 -0.33 0.00 0.00 177.00 175.42 2vac s TYR 68 N -2.39 1.80 -0.06 0.00 2.02 -0.88 -1.08 117.35 116.76 2vac s TYR 68 Ca 0.17 -0.35 0.05 0.00 -0.37 0.00 0.00 57.07 56.57 2vac s TYR 68 Cb -0.05 -1.12 -0.01 0.00 -0.40 0.00 0.00 41.96 40.38 2vac s TYR 68 CO 0.12 0.02 -0.22 -0.51 -1.57 0.00 0.00 175.55 173.40 2vac s LEU 69 N -0.76 2.00 -0.33 -1.29 1.43 -0.17 -0.84 118.68 118.73 2vac s LEU 69 Ca 0.08 -0.45 -0.11 0.00 -1.03 0.00 0.00 54.13 52.61 2vac s LEU 69 Cb -0.08 -1.22 -0.01 0.00 0.03 0.00 0.00 46.19 44.91 2vac s LEU 69 CO 0.00 0.20 0.19 -0.76 0.23 0.00 0.00 176.35 176.21 2vac s LEU 70 N -0.03 4.30 -0.18 1.79 1.43 0.63 -0.32 118.68 126.30 2vac s LEU 70 Ca -0.05 -0.53 -0.01 0.00 -1.03 0.00 0.00 54.13 52.51 2vac s LEU 70 Cb -0.13 -2.05 0.00 0.00 0.03 0.00 0.00 46.19 44.04 2vac s LEU 70 CO 0.04 -0.22 -0.12 -0.47 0.23 0.00 0.00 176.35 175.80 2vac s TYR 71 N 1.65 2.85 -0.05 0.29 5.04 -0.00 -0.98 117.35 126.14 2vac s TYR 71 Ca 0.05 -1.14 -0.24 0.00 -2.44 0.00 0.00 57.07 53.30 2vac s TYR 71 Cb -0.17 -1.97 -0.04 0.00 0.35 0.00 0.00 41.96 40.13 2vac s TYR 71 CO 0.08 -0.57 0.73 0.50 -1.34 0.00 0.00 175.55 174.95 2vac s ARG 72 N 1.15 4.45 1.06 4.97 3.52 0.83 -0.32 118.95 134.60 2vac s ARG 72 Ca 0.01 0.94 -0.17 0.00 -0.13 0.00 0.00 55.73 56.38 2vac s ARG 72 Cb -0.14 -3.44 0.24 0.00 -1.56 0.00 0.00 34.95 30.04 2vac s ARG 72 CO -0.04 0.07 1.26 -0.51 -0.81 0.00 0.00 175.30 175.26 2vac s LEU 73 N 0.76 2.01 0.06 -0.88 1.43 0.08 -4.80 118.68 117.35 2vac s LEU 73 Ca 0.39 0.35 0.23 0.00 -1.03 0.00 0.00 54.13 54.07 2vac s LEU 73 Cb -0.18 -2.25 0.05 0.00 0.03 0.00 0.00 46.19 43.83 2vac s LEU 73 CO 0.19 -3.27 1.02 0.47 0.23 0.00 0.00 176.35 174.99 2vac n ASP 74 N -4.14 0.61 -4.83 2.29 8.00 -1.26 -4.73 116.55 112.48 2vac n ASP 74 Ca 0.15 -0.17 -0.32 0.00 0.71 0.00 0.00 54.79 55.16 2vac n ASP 74 Cb 0.59 0.79 -0.00 0.00 -0.02 0.00 0.00 41.12 42.48 2vac n ASP 74 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 2vac s SER 75 N -4.02 6.11 -0.03 -2.24 1.04 -1.26 -4.97 113.70 108.32 2vac s SER 75 Ca 0.03 1.63 0.03 0.00 0.48 0.00 0.00 55.95 58.12 2vac s SER 75 Cb 0.14 -2.51 -0.00 0.00 0.10 0.00 0.00 66.02 63.75 2vac s SER 75 CO 0.80 -0.94 -0.13 -1.10 0.98 0.00 0.00 173.24 172.84 2vac s GLN 76 N -4.41 1.40 0.03 4.02 -0.21 -1.26 -1.79 119.66 117.44 2vac s GLN 76 Ca 0.59 -0.47 -0.00 0.00 0.02 0.00 0.00 55.36 55.50 2vac s GLN 76 Cb -0.13 -1.25 0.01 0.00 1.00 0.00 0.00 33.01 32.64 2vac s GLN 76 CO 0.41 0.19 0.04 0.27 -2.12 0.00 0.00 175.29 174.07 2vac n ASN 77 N 3.20 0.04 0.00 5.90 0.23 0.28 -4.92 115.26 119.99 2vac n ASN 77 Ca -0.18 -1.04 0.12 0.00 -0.53 0.00 0.00 54.58 52.95 2vac n ASN 77 Cb 0.54 -0.03 0.71 0.00 -2.08 0.00 0.00 39.78 38.92 2vac n ASN 77 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2vac n ALA 78 N -3.00 2.39 -1.63 -2.53 0.00 -1.26 -2.35 120.51 112.13 2vac n ALA 78 Ca -0.01 -0.15 0.06 0.00 0.00 0.00 0.00 53.44 53.35 2vac n ALA 78 Cb 0.02 -1.40 0.17 0.00 0.00 0.00 0.00 19.45 18.25 2vac n ALA 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2vac n GLN 79 N -1.03 1.32 0.00 0.00 10.64 -1.26 -5.12 117.38 121.94 2vac n GLN 79 Ca 0.18 -2.99 0.00 0.00 -1.83 0.00 0.00 57.00 52.36 2vac n GLN 79 Cb 0.09 -1.39 0.00 0.00 -0.86 0.00 0.00 30.24 28.09 2vac n GLN 79 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2vac n GLY 80 N -0.96 -0.22 3.70 2.61 0.00 -0.99 -4.90 105.19 104.44 2vac n GLY 80 Ca 0.17 -2.22 -0.40 0.00 0.00 0.00 0.00 46.02 43.57 2vac n GLY 80 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2vac n PHE 81 N 0.00 1.99 -3.49 1.61 3.72 -1.26 -0.55 117.46 119.48 2vac n PHE 81 Ca 0.00 0.48 -0.37 0.00 -0.05 0.00 0.00 57.45 57.51 2vac n PHE 81 Cb 0.00 -2.34 -0.06 0.00 -0.94 0.00 0.00 39.48 36.14 2vac n PHE 81 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 2vac s GLU 82 N -2.42 3.91 0.12 -1.08 2.02 -0.74 -4.77 118.70 115.74 2vac s GLU 82 Ca 0.65 0.39 0.08 0.00 0.02 0.00 0.00 54.97 56.12 2vac s GLU 82 Cb -0.48 -3.15 -0.04 0.00 0.10 0.00 0.00 34.13 30.57 2vac s GLU 82 CO 0.55 0.64 -0.20 -1.58 0.02 0.00 0.00 175.26 174.69 2vac s TRP 83 N -1.19 1.79 -0.09 1.61 0.52 0.06 -0.74 118.94 120.91 2vac s TRP 83 Ca 0.27 -0.43 -0.10 0.00 0.02 0.00 0.00 56.10 55.87 2vac s TRP 83 Cb -0.16 -0.96 -0.05 0.00 -1.15 0.00 0.00 33.47 31.16 2vac s TRP 83 CO 0.15 0.24 0.22 -0.51 0.02 0.00 0.00 176.95 177.07 2vac s LEU 84 N -2.12 4.40 -0.39 2.99 1.43 0.56 -0.07 118.68 125.47 2vac s LEU 84 Ca 0.09 0.59 -0.07 0.00 -1.03 0.00 0.00 54.13 53.71 2vac s LEU 84 Cb -0.09 -2.22 0.07 0.00 0.03 0.00 0.00 46.19 43.98 2vac s LEU 84 CO 0.05 0.36 0.20 0.12 0.23 0.00 0.00 176.35 177.31 2vac s PHE 85 N -0.90 3.35 -0.26 0.29 5.36 0.10 -0.82 117.98 125.10 2vac s PHE 85 Ca 0.17 -1.65 -0.10 0.00 -0.96 0.00 0.00 56.93 54.39 2vac s PHE 85 Cb -0.13 -2.79 -0.04 0.00 -0.34 0.00 0.00 43.02 39.72 2vac s PHE 85 CO 0.06 -0.84 0.15 -0.51 -1.46 0.00 0.00 175.22 172.63 2vac s LEU 86 N 1.37 3.86 -0.27 6.12 1.43 0.57 -1.49 118.68 130.27 2vac s LEU 86 Ca 0.02 -0.05 -0.10 0.00 -1.03 0.00 0.00 54.13 52.97 2vac s LEU 86 Cb -0.22 -2.06 -0.04 0.00 0.03 0.00 0.00 46.19 43.90 2vac s LEU 86 CO 0.01 -0.03 0.15 0.00 0.23 0.00 0.00 176.35 176.71 2vac s ALA 87 N 1.60 3.41 -0.17 4.21 0.00 0.14 -1.00 121.76 129.95 2vac s ALA 87 Ca 0.07 -1.09 -0.03 0.00 0.00 0.00 0.00 51.96 50.90 2vac s ALA 87 Cb -0.15 -2.34 -0.02 0.00 0.00 0.00 0.00 23.12 20.61 2vac s ALA 87 CO 0.08 -0.50 -0.04 -0.46 0.00 0.00 0.00 175.76 174.83 2vac s TRP 88 N 1.66 2.99 -0.45 0.00 -0.11 -0.25 -1.40 118.94 121.39 2vac s TRP 88 Ca 0.07 -0.46 0.05 0.00 1.22 0.00 0.00 56.10 56.98 2vac s TRP 88 Cb -0.16 -1.99 0.18 0.00 -1.50 0.00 0.00 33.47 30.00 2vac s TRP 88 CO 0.08 -0.17 0.52 0.45 -4.62 0.00 0.00 176.95 173.21 2vac s SER 89 N 0.64 0.08 0.50 5.86 0.15 -0.65 -1.64 113.70 118.63 2vac s SER 89 Ca -0.03 -2.15 -0.21 0.00 0.70 0.00 0.00 55.95 54.27 2vac s SER 89 Cb -0.15 0.80 -0.07 0.00 -1.71 0.00 0.00 66.02 64.90 2vac s SER 89 CO 0.02 -0.14 1.10 -2.16 1.20 0.00 0.00 173.24 173.27 2vac s PRO 90 N 0.73 3.64 0.49 5.44 0.04 -1.26 -4.42 135.00 139.66 2vac s PRO 90 Ca 0.28 1.56 0.14 0.00 0.04 0.00 0.00 61.00 63.02 2vac s PRO 90 Cb -0.02 -2.15 1.16 0.00 0.04 0.00 0.00 34.50 33.53 2vac s PRO 90 CO -0.10 -0.60 2.11 -0.44 0.04 0.00 0.00 177.00 178.01 2vac h ASP 91 N 1.58 0.08 0.43 6.66 3.32 -1.87 -1.64 116.42 124.98 2vac h ASP 91 Ca -0.50 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.55 2vac h ASP 91 Cb 1.24 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.77 2vac h ASP 91 CO 0.59 0.08 0.00 0.59 -1.72 0.00 0.00 179.24 178.78 2vac n ASN 92 N -4.50 0.40 -4.76 6.45 3.02 -1.26 -4.76 115.26 109.85 2vac n ASN 92 Ca -0.02 0.62 -0.39 0.00 -0.03 0.00 0.00 54.58 54.76 2vac n ASN 92 Cb 0.11 -0.70 0.01 0.00 -0.61 0.00 0.00 39.78 38.59 2vac n ASN 92 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 2vac s SER 93 N -3.74 5.94 0.32 6.41 0.01 -0.62 -4.81 113.70 117.21 2vac s SER 93 Ca 0.03 2.79 -0.28 0.00 1.31 0.00 0.00 55.95 59.79 2vac s SER 93 Cb 0.08 -2.64 -0.13 0.00 0.21 0.00 0.00 66.02 63.53 2vac s SER 93 CO 0.27 -1.12 1.19 -2.65 0.41 0.00 0.00 173.24 171.34 2vac n PRO 94 N -0.22 1.84 -0.35 12.44 -0.02 -1.26 -4.80 135.00 142.63 2vac n PRO 94 Ca 0.05 0.65 0.07 0.00 -2.02 0.00 0.00 63.50 62.25 2vac n PRO 94 Cb 0.43 -2.15 0.23 0.00 -0.02 0.00 0.00 33.50 31.99 2vac n PRO 94 CO 0.00 0.00 0.00 -0.24 1.98 0.00 0.00 175.50 177.24 2vac h VAL 95 N 2.35 0.89 -0.71 -1.45 3.04 -1.92 -1.35 116.25 117.10 2vac h VAL 95 Ca -0.44 -0.32 0.05 0.00 -1.01 0.00 0.00 66.70 64.99 2vac h VAL 95 Cb 1.30 -0.11 -0.05 0.00 -2.01 0.00 0.00 31.29 30.42 2vac h VAL 95 CO 0.62 0.17 0.43 -0.09 -1.01 0.00 0.00 177.57 177.69 2vac h ARG 96 N 0.92 0.78 -0.34 4.17 1.12 -2.00 -0.46 114.38 118.57 2vac h ARG 96 Ca 0.48 -0.05 -0.08 0.00 -1.11 0.00 0.00 59.98 59.23 2vac h ARG 96 Cb 0.51 -0.18 -0.01 0.00 -0.01 0.00 0.00 29.97 30.28 2vac h ARG 96 CO -0.28 0.52 -0.08 -0.07 -3.11 0.00 0.00 179.97 176.95 2vac h LEU 97 N 0.81 0.67 -0.57 3.80 3.38 -1.67 -1.89 115.31 119.84 2vac h LEU 97 Ca 0.30 -0.36 0.07 0.00 0.09 0.00 0.00 57.88 57.98 2vac h LEU 97 Cb 0.11 -0.18 -0.06 0.00 0.09 0.00 0.00 40.66 40.62 2vac h LEU 97 CO -0.15 0.88 0.25 0.11 0.09 0.00 0.00 178.44 179.62 2vac h LYS 98 N 0.45 0.46 -0.17 1.13 1.57 -0.64 -0.57 116.57 118.81 2vac h LYS 98 Ca 0.09 -0.03 -0.18 0.00 -1.87 0.00 0.00 60.65 58.66 2vac h LYS 98 Cb 0.58 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.79 2vac h LYS 98 CO 0.03 0.31 -0.63 0.52 -0.57 0.00 0.00 179.45 179.11 2vac h MET 99 N 0.47 0.59 -0.16 3.15 2.86 -1.07 -0.38 114.93 120.39 2vac h MET 99 Ca 0.27 -0.41 0.02 0.00 -2.06 0.00 0.00 59.70 57.52 2vac h MET 99 Cb 0.25 0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.95 2vac h MET 99 CO -0.22 1.03 0.03 1.25 1.06 0.00 0.00 176.91 180.05 2vac h LEU 100 N 0.43 0.00 -0.58 1.22 5.85 -0.80 0.29 115.31 121.73 2vac h LEU 100 Ca -0.01 0.03 -0.10 0.00 0.84 0.00 0.00 57.88 58.64 2vac h LEU 100 Cb 1.20 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 42.24 2vac h LEU 100 CO 0.12 0.03 -0.02 1.88 -0.34 0.00 0.00 178.44 180.10 2vac h TYR 101 N 0.09 1.14 -0.35 1.25 -1.99 -1.09 -2.26 116.97 113.76 2vac h TYR 101 Ca 0.07 -0.21 -0.01 0.00 2.00 0.00 0.00 58.73 60.59 2vac h TYR 101 Cb 0.07 -0.29 -0.02 0.00 2.00 0.00 0.00 36.73 38.49 2vac h TYR 101 CO -0.13 1.02 0.20 0.00 -0.00 0.00 0.00 178.16 179.24 2vac h ALA 102 N 0.97 0.45 0.00 3.88 0.00 -0.71 -1.78 119.26 122.07 2vac h ALA 102 Ca 0.16 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 2vac h ALA 102 Cb 0.58 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 2vac h ALA 102 CO 0.03 -0.03 -0.10 0.00 0.00 0.00 0.00 179.25 179.15 2vac h ALA 103 N 1.06 1.43 -0.00 0.00 0.00 -0.30 -3.09 119.26 118.36 2vac h ALA 103 Ca 0.12 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2vac h ALA 103 Cb 0.05 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.82 2vac h ALA 103 CO -0.02 0.13 -0.83 2.41 0.00 0.00 0.00 179.25 180.94 2vac n THR 104 N -3.83 0.00 -0.15 0.00 -1.04 -0.86 -4.58 114.28 103.82 2vac n THR 104 Ca -0.02 -0.09 -0.05 0.00 -2.04 0.00 0.00 64.05 61.85 2vac n THR 104 Cb 0.20 1.00 0.01 0.00 -1.82 0.00 0.00 70.33 69.72 2vac n THR 104 CO 0.00 0.00 0.00 -0.09 -0.64 0.00 0.00 175.07 174.34 2vac h ARG 105 N 0.03 -0.16 -0.83 -2.82 2.43 -1.24 -1.88 114.38 109.90 2vac h ARG 105 Ca 0.00 0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.23 2vac h ARG 105 Cb 0.42 0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 29.95 2vac h ARG 105 CO 0.00 -0.10 0.55 0.00 -1.51 0.00 0.00 179.97 178.90 2vac h ALA 106 N 1.05 1.53 -0.34 2.80 0.00 -1.81 -2.42 119.26 120.07 2vac h ALA 106 Ca 0.22 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2vac h ALA 106 Cb 0.51 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 2vac h ALA 106 CO -0.58 0.36 0.21 1.15 0.00 0.00 0.00 179.25 180.39 2vac h THR 107 N 0.98 1.10 -0.19 0.00 2.02 -1.65 0.11 112.91 115.29 2vac h THR 107 Ca 0.34 -0.22 0.04 0.00 0.77 0.00 0.00 66.41 67.34 2vac h THR 107 Cb 0.12 0.65 -0.04 0.00 -1.74 0.00 0.00 68.15 67.14 2vac h THR 107 CO -0.11 0.10 -0.06 0.58 0.37 0.00 0.00 175.52 176.40 2vac h VAL 108 N 0.44 0.78 -0.17 3.16 2.07 -1.14 -0.57 116.25 120.83 2vac h VAL 108 Ca 0.12 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.66 2vac h VAL 108 Cb -0.02 0.78 -0.02 0.00 -1.52 0.00 0.00 31.29 30.52 2vac h VAL 108 CO -0.02 0.00 0.06 0.50 0.02 0.00 0.00 177.57 178.13 2vac h LYS 109 N -0.02 0.15 -0.36 1.57 3.64 -1.29 -1.22 116.57 119.04 2vac h LYS 109 Ca 0.09 -0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.52 2vac h LYS 109 Cb 0.16 -0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 31.90 2vac h LYS 109 CO -0.20 0.10 0.05 -0.22 -2.27 0.00 0.00 179.45 176.90 2vac h LYS 110 N 0.15 0.16 -0.57 1.90 1.63 -0.66 0.01 116.57 119.20 2vac h LYS 110 Ca 0.07 -0.01 -0.10 0.00 -0.85 0.00 0.00 60.65 59.77 2vac h LYS 110 Cb 0.04 -0.04 -0.02 0.00 -0.60 0.00 0.00 32.23 31.61 2vac h LYS 110 CO -0.07 0.10 -0.02 0.93 -3.45 0.00 0.00 179.45 176.94 2vac h GLU 111 N 0.16 1.01 -0.52 1.90 4.39 -0.89 -2.92 114.58 117.72 2vac h GLU 111 Ca 0.17 -0.33 -0.10 0.00 0.34 0.00 0.00 59.36 59.44 2vac h GLU 111 Cb 0.21 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.76 2vac h GLU 111 CO -0.24 1.02 -0.06 0.35 -1.16 0.00 0.00 179.01 178.92 2vac h PHE 112 N 0.90 1.05 0.00 4.33 3.57 -0.95 -3.49 116.94 122.35 2vac h PHE 112 Ca 0.16 -0.20 0.00 0.00 3.53 0.00 0.00 57.97 61.45 2vac h PHE 112 Cb 0.58 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 39.05 2vac h PHE 112 CO 0.04 0.99 0.00 0.41 -2.23 0.00 0.00 178.31 177.52 2vac n GLY 113 N -0.31 1.60 0.36 2.40 0.00 -0.03 -4.91 105.19 104.29 2vac n GLY 113 Ca 0.01 -0.83 0.17 0.00 0.00 0.00 0.00 46.02 45.37 2vac n GLY 113 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2vac h GLY 114 N 0.00 0.02 2.00 -0.02 0.00 -1.79 -1.77 103.07 101.51 2vac h GLY 114 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.32 2vac h GLY 114 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 176.54 175.21 2vac h GLY 115 N 0.01 0.00 -1.29 4.60 0.00 -1.94 -2.11 103.07 102.35 2vac h GLY 115 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.53 2vac h GLY 115 CO -0.00 0.00 -0.13 1.42 0.00 0.00 0.00 176.54 177.83 2vac n HIS 116 N -2.33 0.00 -3.69 5.60 -0.00 -0.67 -4.89 115.22 109.24 2vac n HIS 116 Ca -0.00 0.00 -0.38 0.00 -0.00 0.00 0.00 57.72 57.34 2vac n HIS 116 Cb 0.12 -0.01 -0.12 0.00 -0.00 0.00 0.00 29.99 29.98 2vac n HIS 116 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.34 176.76 2vac s ILE 117 N -2.14 4.38 0.07 1.59 1.01 -0.79 -0.76 121.20 124.55 2vac s ILE 117 Ca 0.27 -0.54 -0.08 0.00 0.00 0.00 0.00 60.65 60.31 2vac s ILE 117 Cb 0.20 -3.26 -0.29 0.00 0.01 0.00 0.00 42.46 39.12 2vac s ILE 117 CO 0.38 0.05 1.12 0.50 0.00 0.00 0.00 174.94 177.00 2vac h LYS 118 N 8.32 0.37 -3.21 2.79 3.64 -0.78 -3.47 116.57 124.23 2vac h LYS 118 Ca -0.31 -0.60 -0.04 0.00 -1.27 0.00 0.00 60.65 58.43 2vac h LYS 118 Cb 1.14 0.22 -0.12 0.00 -0.41 0.00 0.00 32.23 33.05 2vac h LYS 118 CO 0.61 1.28 0.06 0.34 -2.27 0.00 0.00 179.45 179.47 2vac s ASP 119 N -7.27 -0.39 -0.05 4.20 -1.08 -1.20 -5.05 116.67 105.83 2vac s ASP 119 Ca -0.06 -0.18 0.02 0.00 -0.52 0.00 0.00 52.55 51.81 2vac s ASP 119 Cb 0.06 0.53 0.01 0.00 -1.46 0.00 0.00 42.92 42.07 2vac s ASP 119 CO 0.90 -0.91 -0.09 -1.61 0.52 0.00 0.00 175.17 173.98 2vac s GLU 120 N -3.78 1.22 0.10 4.34 2.02 -1.26 -0.72 118.70 120.63 2vac s GLU 120 Ca 0.02 -0.27 0.04 0.00 0.02 0.00 0.00 54.97 54.77 2vac s GLU 120 Cb 0.00 -1.09 -0.04 0.00 0.10 0.00 0.00 34.13 33.11 2vac s GLU 120 CO -0.12 0.00 -0.10 -0.51 0.02 0.00 0.00 175.26 174.55 2vac s LEU 121 N 0.67 2.44 0.01 1.80 1.02 -0.55 -4.97 118.68 119.09 2vac s LEU 121 Ca -0.12 -0.87 0.04 0.00 0.02 0.00 0.00 54.13 53.21 2vac s LEU 121 Cb -0.14 -0.28 -0.01 0.00 0.02 0.00 0.00 46.19 45.77 2vac s LEU 121 CO 0.02 -0.30 -0.12 0.12 0.02 0.00 0.00 176.35 176.09 2vac s PHE 122 N -2.72 1.07 0.01 0.29 5.36 -1.26 -0.69 117.98 120.04 2vac s PHE 122 Ca 0.08 -0.26 -0.01 0.00 -0.96 0.00 0.00 56.93 55.78 2vac s PHE 122 Cb -0.01 -0.67 -0.01 0.00 -0.34 0.00 0.00 43.02 41.99 2vac s PHE 122 CO -0.00 -0.00 0.01 0.20 -1.46 0.00 0.00 175.22 173.96 2vac s GLY 123 N -0.61 0.16 -0.01 13.12 0.00 -0.49 -4.75 107.32 114.74 2vac s GLY 123 Ca 0.03 -0.39 0.06 0.00 0.00 0.00 0.00 44.72 44.42 2vac s GLY 123 CO 0.00 -0.46 0.19 -1.30 0.00 0.00 0.00 173.10 171.54 2vac n THR 124 N 1.84 0.00 -4.46 0.90 -2.24 -1.26 -1.64 114.28 107.42 2vac n THR 124 Ca -0.22 -0.23 -0.24 0.00 -2.27 0.00 0.00 64.05 61.09 2vac n THR 124 Cb 0.56 0.62 -0.13 0.00 -2.10 0.00 0.00 70.33 69.27 2vac n THR 124 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 2vac s VAL 125 N -2.10 1.60 0.32 2.28 -7.23 -1.26 -4.13 120.40 109.87 2vac s VAL 125 Ca -0.00 -1.30 0.05 0.00 -1.81 0.00 0.00 61.98 58.91 2vac s VAL 125 Cb 0.04 -1.42 0.30 0.00 0.56 0.00 0.00 36.38 35.86 2vac s VAL 125 CO 0.26 0.07 1.84 0.11 -0.31 0.00 0.00 175.10 177.08 2vac h LYS 126 N 4.57 0.81 -0.92 4.82 1.57 -1.98 0.32 116.57 125.77 2vac h LYS 126 Ca -0.43 -0.05 0.18 0.00 -1.87 0.00 0.00 60.65 58.48 2vac h LYS 126 Cb 1.17 -0.18 -0.07 0.00 0.08 0.00 0.00 32.23 33.22 2vac h LYS 126 CO 0.42 0.54 0.59 0.22 -0.57 0.00 0.00 179.45 180.65 2vac h ASP 127 N 0.84 0.54 -0.87 0.86 3.58 -1.97 -1.03 116.42 118.37 2vac h ASP 127 Ca 0.49 0.05 0.09 0.00 0.42 0.00 0.00 57.03 58.08 2vac h ASP 127 Cb 0.65 -0.05 -0.06 0.00 1.72 0.00 0.00 39.33 41.59 2vac h ASP 127 CO -0.26 0.23 0.57 0.44 -2.88 0.00 0.00 179.24 177.33 2vac h ASP 128 N 0.55 0.79 -0.02 2.28 3.32 -1.29 -2.88 116.42 119.17 2vac h ASP 128 Ca 0.48 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.55 2vac h ASP 128 Cb 1.00 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.40 2vac h ASP 128 CO -0.22 0.47 -0.03 0.18 -1.72 0.00 0.00 179.24 177.93 2vac n LEU 129 N -4.52 2.38 -4.61 1.55 4.77 -0.45 -4.36 117.00 111.76 2vac n LEU 129 Ca 0.15 -0.98 -0.29 0.00 -0.03 0.00 0.00 56.01 54.85 2vac n LEU 129 Cb 0.29 0.00 0.20 0.00 -2.33 0.00 0.00 43.42 41.58 2vac n LEU 129 CO 0.31 0.42 0.60 -0.94 -1.33 0.00 0.00 177.39 176.46 2vac s SER 130 N -1.48 2.15 0.24 -1.43 1.04 -0.82 -4.72 113.70 108.68 2vac s SER 130 Ca 0.20 1.53 -0.04 0.00 0.48 0.00 0.00 55.95 58.12 2vac s SER 130 Cb 0.14 -2.22 0.43 0.00 0.10 0.00 0.00 66.02 64.48 2vac s SER 130 CO 0.23 -3.48 1.77 0.15 0.98 0.00 0.00 173.24 172.89 2vac h PHE 131 N -2.13 0.68 -0.65 5.02 3.57 -1.92 0.31 116.94 121.84 2vac h PHE 131 Ca -0.55 0.03 0.08 0.00 3.53 0.00 0.00 57.97 61.07 2vac h PHE 131 Cb 1.31 -0.19 -0.07 0.00 2.79 0.00 0.00 35.95 39.80 2vac h PHE 131 CO 0.34 0.20 0.31 0.00 -2.23 0.00 0.00 178.31 176.93 2vac h ALA 132 N 1.50 0.87 -0.25 2.41 0.00 -1.92 0.09 119.26 121.95 2vac h ALA 132 Ca 0.40 0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.38 2vac h ALA 132 Cb 0.51 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 2vac h ALA 132 CO -0.32 -0.08 0.13 0.78 0.00 0.00 0.00 179.25 179.76 2vac h GLY 133 N 0.54 0.34 1.01 0.00 0.00 -1.22 -2.38 103.07 101.36 2vac h GLY 133 Ca 0.31 -0.10 -0.00 0.00 0.00 0.00 0.00 47.33 47.55 2vac h GLY 133 CO -0.25 0.08 0.45 -1.82 0.00 0.00 0.00 176.54 175.00 2vac h TYR 134 N 0.28 0.95 0.00 5.60 3.20 -0.43 -1.89 116.97 124.67 2vac h TYR 134 Ca 0.10 0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.94 2vac h TYR 134 Cb 0.02 -0.31 -0.01 0.00 1.54 0.00 0.00 36.73 37.97 2vac h TYR 134 CO -0.09 0.63 -0.17 1.96 -1.64 0.00 0.00 178.16 178.85 2vac h GLN 135 N 1.00 0.00 0.00 1.82 1.08 -0.84 -2.09 115.11 116.07 2vac h GLN 135 Ca 0.26 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.46 2vac h GLN 135 Cb -0.05 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.38 2vac h GLN 135 CO -0.05 0.17 -0.45 1.63 -0.95 0.00 0.00 178.83 179.17 2vac n LYS 136 N -3.75 0.26 0.00 1.46 4.76 -0.88 -5.10 118.16 114.91 2vac n LYS 136 Ca -0.02 0.11 0.04 0.00 -2.87 0.00 0.00 58.31 55.57 2vac n LYS 136 Cb 0.28 -1.70 0.24 0.00 -1.84 0.00 0.00 35.03 32.00 2vac n LYS 136 CO 0.00 0.00 0.00 1.58 -1.37 0.00 0.00 177.40 177.61