#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vvp s GLY 3 N 0.00 2.57 0.04 0.46 0.00 -1.26 -4.98 107.32 104.15 2vvp s GLY 3 Ca 0.00 1.30 0.07 0.00 0.00 0.00 0.00 44.72 46.09 2vvp s GLY 3 CO 0.00 2.15 -0.17 1.06 0.00 0.00 0.00 173.10 176.14 2vvp s MET 4 N -0.88 2.13 0.01 2.90 1.00 -1.26 -4.95 119.30 118.24 2vvp s MET 4 Ca 0.56 -0.95 -0.25 0.00 0.00 0.00 0.00 55.69 55.05 2vvp s MET 4 Cb -0.41 -2.22 -0.05 0.00 0.00 0.00 0.00 34.83 32.15 2vvp s MET 4 CO 0.47 0.55 0.76 0.50 0.00 0.00 0.00 175.02 177.29 2vvp s ARG 5 N -1.43 4.48 -0.10 2.03 3.52 -1.26 -0.66 118.95 125.52 2vvp s ARG 5 Ca 0.15 1.03 -0.01 0.00 -0.13 0.00 0.00 55.73 56.77 2vvp s ARG 5 Cb -0.11 -3.39 0.03 0.00 -1.56 0.00 0.00 34.95 29.92 2vvp s ARG 5 CO 0.05 0.19 -0.02 0.08 -0.81 0.00 0.00 175.30 174.80 2vvp s VAL 6 N 0.28 0.65 -0.16 7.11 1.01 -0.52 -0.90 120.40 127.87 2vvp s VAL 6 Ca 0.39 -0.13 -0.19 0.00 0.00 0.00 0.00 61.98 62.05 2vvp s VAL 6 Cb -0.20 -0.80 -0.03 0.00 0.00 0.00 0.00 36.38 35.35 2vvp s VAL 6 CO 0.22 0.23 0.54 -0.31 0.00 0.00 0.00 175.10 175.78 2vvp s TYR 7 N 1.85 3.44 -0.02 5.22 1.51 0.35 -0.17 117.35 129.54 2vvp s TYR 7 Ca 0.04 0.89 0.05 0.00 -1.01 0.00 0.00 57.07 57.04 2vvp s TYR 7 Cb -0.13 -2.66 -0.03 0.00 -0.11 0.00 0.00 41.96 39.03 2vvp s TYR 7 CO -0.07 0.00 -0.18 -0.51 -1.11 0.00 0.00 175.55 173.69 2vvp s LEU 8 N 1.23 2.55 0.01 -1.29 1.02 0.41 -0.92 118.68 121.69 2vvp s LEU 8 Ca 0.27 -0.32 0.01 0.00 0.02 0.00 0.00 54.13 54.11 2vvp s LEU 8 Cb -0.16 -1.50 -0.01 0.00 0.02 0.00 0.00 46.19 44.55 2vvp s LEU 8 CO 0.11 0.32 -0.04 -0.83 0.02 0.00 0.00 176.35 175.93 2vvp s GLY 9 N -0.88 0.23 -0.07 -3.19 0.00 -0.66 -0.27 107.32 102.48 2vvp s GLY 9 Ca 0.12 -0.40 -0.31 0.00 0.00 0.00 0.00 44.72 44.14 2vvp s GLY 9 CO 0.01 -0.43 0.70 0.00 0.00 0.00 0.00 173.10 173.39 2vvp s ALA 10 N -0.80 -1.78 0.64 3.20 0.00 -0.09 -0.70 121.76 122.22 2vvp s ALA 10 Ca -0.07 1.37 -0.02 0.00 0.00 0.00 0.00 51.96 53.24 2vvp s ALA 10 Cb -0.06 -0.10 0.07 0.00 0.00 0.00 0.00 23.12 23.03 2vvp s ALA 10 CO -0.00 -0.36 0.48 -0.40 0.00 0.00 0.00 175.76 175.48 2vvp n ASP 11 N 0.99 0.49 -0.29 0.00 5.68 -1.08 -0.70 116.55 121.63 2vvp n ASP 11 Ca -0.18 -1.45 0.16 0.00 -0.50 0.00 0.00 54.79 52.82 2vvp n ASP 11 Cb 0.57 -0.33 0.43 0.00 -1.14 0.00 0.00 41.12 40.65 2vvp n ASP 11 CO 0.00 0.00 0.00 1.12 -1.33 0.00 0.00 177.20 176.99 2vvp h HIS 12 N -0.67 0.76 0.00 2.11 2.07 -1.84 -0.95 115.15 116.64 2vvp h HIS 12 Ca -0.16 0.02 0.00 0.00 -2.85 0.00 0.00 60.37 57.38 2vvp h HIS 12 Cb 0.55 -0.23 0.00 0.00 2.57 0.00 0.00 27.41 30.29 2vvp h HIS 12 CO 0.00 0.20 0.00 0.00 -3.07 0.00 0.00 177.93 175.06 2vvp h ALA 13 N 1.62 1.00 -0.17 6.11 0.00 -1.91 -3.00 119.26 122.91 2vvp h ALA 13 Ca 0.51 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.42 2vvp h ALA 13 Cb 1.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.81 2vvp h ALA 13 CO -0.25 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.41 2vvp n GLY 14 N 0.45 1.01 0.05 0.00 0.00 -0.65 -4.29 105.19 101.76 2vvp n GLY 14 Ca 0.02 -0.37 -0.12 0.00 0.00 0.00 0.00 46.02 45.55 2vvp n GLY 14 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2vvp h TYR 15 N 2.30 -0.02 -0.40 1.61 3.20 -1.06 0.13 116.97 122.73 2vvp h TYR 15 Ca 0.00 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.84 2vvp h TYR 15 Cb 0.61 0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.87 2vvp h TYR 15 CO 0.11 0.07 0.12 0.93 -1.64 0.00 0.00 178.16 177.74 2vvp h GLU 16 N -0.10 0.62 -0.74 1.82 4.39 -1.87 -1.84 114.58 116.86 2vvp h GLU 16 Ca -0.00 -0.14 -0.04 0.00 0.34 0.00 0.00 59.36 59.52 2vvp h GLU 16 Cb 0.10 -0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 28.63 2vvp h GLU 16 CO 0.00 0.63 0.29 1.25 -1.16 0.00 0.00 179.01 180.02 2vvp h LEU 17 N 0.50 1.03 -0.48 1.33 5.85 -1.87 -2.18 115.31 119.47 2vvp h LEU 17 Ca 0.13 -0.18 0.07 0.00 0.84 0.00 0.00 57.88 58.74 2vvp h LEU 17 Cb 0.27 -0.27 -0.06 0.00 0.37 0.00 0.00 40.66 40.98 2vvp h LEU 17 CO -0.00 0.92 0.17 0.50 -0.34 0.00 0.00 178.44 179.68 2vvp h LYS 18 N 1.07 0.33 -0.78 1.25 3.64 -0.31 0.34 116.57 122.10 2vvp h LYS 18 Ca 0.25 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.59 2vvp h LYS 18 Cb 0.22 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 31.93 2vvp h LYS 18 CO -0.02 0.22 0.40 1.96 -2.27 0.00 0.00 179.45 179.74 2vvp h GLN 19 N 0.34 1.10 -0.79 1.90 1.08 -0.93 0.36 115.11 118.17 2vvp h GLN 19 Ca 0.23 -0.14 -0.02 0.00 -1.45 0.00 0.00 58.65 57.27 2vvp h GLN 19 Cb 0.24 -0.21 -0.04 0.00 -0.05 0.00 0.00 27.48 27.43 2vvp h GLN 19 CO -0.24 0.83 0.43 0.00 -0.95 0.00 0.00 178.83 178.90 2vvp h ARG 20 N 1.09 1.11 -0.53 1.46 3.08 -0.91 -2.20 114.38 117.48 2vvp h ARG 20 Ca 0.27 -0.13 -0.11 0.00 0.07 0.00 0.00 59.98 60.07 2vvp h ARG 20 Cb 0.07 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 29.89 2vvp h ARG 20 CO -0.04 0.83 -0.11 0.82 -1.07 0.00 0.00 179.97 180.39 2vvp h ILE 21 N 1.10 1.27 -0.25 2.04 2.04 -0.35 -0.86 117.51 122.50 2vvp h ILE 21 Ca 0.28 -1.27 0.05 0.00 1.00 0.00 0.00 64.86 64.92 2vvp h ILE 21 Cb 0.04 0.99 -0.05 0.00 -0.74 0.00 0.00 36.82 37.06 2vvp h ILE 21 CO -0.04 0.45 -0.08 0.40 0.00 0.00 0.00 178.15 178.88 2vvp h ILE 22 N 0.89 0.71 -0.49 -0.67 2.04 -0.73 0.18 117.51 119.44 2vvp h ILE 22 Ca 0.14 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.99 2vvp h ILE 22 Cb 0.68 0.71 -0.02 0.00 -0.74 0.00 0.00 36.82 37.45 2vvp h ILE 22 CO 0.05 0.00 0.29 -0.08 0.00 0.00 0.00 178.15 178.41 2vvp h GLU 23 N -0.02 0.66 -0.53 2.37 4.57 -1.25 -1.42 114.58 118.95 2vvp h GLU 23 Ca 0.13 -0.06 0.01 0.00 -1.18 0.00 0.00 59.36 58.25 2vvp h GLU 23 Cb 0.21 -0.14 -0.03 0.00 -0.16 0.00 0.00 28.75 28.64 2vvp h GLU 23 CO -0.27 0.49 0.35 1.25 -1.18 0.00 0.00 179.01 179.65 2vvp h HIS 24 N 0.65 0.67 -0.75 0.92 2.76 -0.61 -0.56 115.15 118.22 2vvp h HIS 24 Ca 0.17 0.02 -0.06 0.00 -2.20 0.00 0.00 60.37 58.30 2vvp h HIS 24 Cb -0.00 -0.23 -0.03 0.00 1.55 0.00 0.00 27.41 28.70 2vvp h HIS 24 CO -0.03 0.42 0.25 -0.07 -1.30 0.00 0.00 177.93 177.20 2vvp h LEU 25 N 0.72 1.09 -0.25 0.26 3.38 -0.44 -1.22 115.31 118.85 2vvp h LEU 25 Ca 0.20 -0.20 0.02 0.00 0.09 0.00 0.00 57.88 57.99 2vvp h LEU 25 Cb -0.08 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.36 2vvp h LEU 25 CO -0.04 1.00 0.11 0.11 0.09 0.00 0.00 178.44 179.70 2vvp h LYS 26 N 1.12 0.23 0.00 1.13 1.57 -0.76 -0.02 116.57 119.84 2vvp h LYS 26 Ca 0.25 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.98 2vvp h LYS 26 Cb 0.29 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.54 2vvp h LYS 26 CO -0.01 0.15 -0.15 1.96 -0.57 0.00 0.00 179.45 180.83 2vvp h GLN 27 N 0.24 0.00 -0.52 3.15 1.08 -0.64 -2.89 115.11 115.53 2vvp h GLN 27 Ca 0.11 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.31 2vvp h GLN 27 Cb 0.05 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.48 2vvp h GLN 27 CO -0.09 0.15 0.00 0.25 -0.95 0.00 0.00 178.83 178.18 2vvp n THR 28 N -3.51 1.63 -0.31 -0.54 -2.24 -0.50 -4.96 114.28 103.84 2vvp n THR 28 Ca -0.01 -1.24 0.00 0.00 -2.27 0.00 0.00 64.05 60.53 2vvp n THR 28 Cb 0.30 0.19 0.00 0.00 -2.10 0.00 0.00 70.33 68.72 2vvp n THR 28 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2vvp n GLY 29 N 0.77 0.83 3.99 3.38 0.00 -1.00 -4.99 105.19 108.17 2vvp n GLY 29 Ca 0.22 -0.11 -0.21 0.00 0.00 0.00 0.00 46.02 45.92 2vvp n GLY 29 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2vvp s HIS 30 N -2.00 1.84 -0.58 1.61 3.76 -0.05 -4.41 115.29 115.46 2vvp s HIS 30 Ca 0.00 -0.66 0.04 0.00 -0.15 0.00 0.00 55.06 54.29 2vvp s HIS 30 Cb 0.00 -2.18 0.15 0.00 1.11 0.00 0.00 32.58 31.66 2vvp s HIS 30 CO 0.00 -0.78 0.35 -2.00 -0.85 0.00 0.00 174.74 171.46 2vvp s GLU 31 N -4.48 2.06 0.26 1.40 2.12 0.16 -4.24 118.70 115.98 2vvp s GLU 31 Ca 0.54 -2.82 -0.30 0.00 0.36 0.00 0.00 54.97 52.75 2vvp s GLU 31 Cb -0.06 -3.19 -0.09 0.00 0.26 0.00 0.00 34.13 31.05 2vvp s GLU 31 CO 0.33 -1.19 1.06 -1.25 -0.54 0.00 0.00 175.26 173.67 2vvp s PRO 32 N -0.66 4.69 -0.15 4.30 0.04 -1.26 -1.44 135.00 140.51 2vvp s PRO 32 Ca 0.21 1.72 0.00 0.00 0.04 0.00 0.00 61.00 62.97 2vvp s PRO 32 Cb -0.17 -3.22 0.02 0.00 0.04 0.00 0.00 34.50 31.18 2vvp s PRO 32 CO -0.07 0.27 -0.14 0.42 0.04 0.00 0.00 177.00 177.52 2vvp s ILE 33 N -1.04 1.58 -0.41 0.56 1.01 0.77 -4.92 121.20 118.75 2vvp s ILE 33 Ca 0.44 -0.68 -0.22 0.00 0.00 0.00 0.00 60.65 60.20 2vvp s ILE 33 Cb -0.30 -1.51 0.02 0.00 0.01 0.00 0.00 42.46 40.68 2vvp s ILE 33 CO 0.38 0.43 0.71 -0.62 0.00 0.00 0.00 174.94 175.84 2vvp s ASP 34 N 1.48 6.42 0.00 3.58 3.68 -1.26 -0.44 116.67 130.13 2vvp s ASP 34 Ca 0.04 0.00 0.29 0.00 2.13 0.00 0.00 52.55 55.01 2vvp s ASP 34 Cb -0.13 -2.36 1.27 0.00 -1.45 0.00 0.00 42.92 40.25 2vvp s ASP 34 CO -0.11 -0.76 1.88 0.00 0.13 0.00 0.00 175.17 176.31 2vvp n GLY 36 N 1.21 2.15 3.77 0.00 0.00 -1.25 -4.91 105.19 106.15 2vvp n GLY 36 Ca 0.17 -1.96 -0.39 0.00 0.00 0.00 0.00 46.02 43.84 2vvp n GLY 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2vvp s ALA 37 N -2.64 3.25 -0.71 4.61 0.00 0.12 -0.92 121.76 125.47 2vvp s ALA 37 Ca 0.00 0.89 0.25 0.00 0.00 0.00 0.00 51.96 53.09 2vvp s ALA 37 Cb 0.00 -3.34 0.42 0.00 0.00 0.00 0.00 23.12 20.20 2vvp s ALA 37 CO 0.00 -0.32 1.37 1.28 0.00 0.00 0.00 175.76 178.09 2vvp n LEU 38 N 0.48 0.65 -3.99 0.00 4.77 -1.26 -4.90 117.00 112.75 2vvp n LEU 38 Ca 0.02 0.22 -0.08 0.00 -0.03 0.00 0.00 56.01 56.13 2vvp n LEU 38 Cb 0.46 -0.21 -0.10 0.00 -2.33 0.00 0.00 43.42 41.25 2vvp n LEU 38 CO 0.51 -0.03 -0.29 -0.60 -1.33 0.00 0.00 177.39 175.65 2vvp s ARG 39 N -3.13 0.54 -0.04 3.23 3.52 -1.26 -5.13 118.95 116.68 2vvp s ARG 39 Ca 0.07 -0.89 -0.30 0.00 -0.13 0.00 0.00 55.73 54.48 2vvp s ARG 39 Cb 0.14 0.20 -0.04 0.00 -1.56 0.00 0.00 34.95 33.69 2vvp s ARG 39 CO 0.71 -0.12 1.36 -0.47 -0.81 0.00 0.00 175.30 175.97 2vvp s TYR 40 N -2.85 2.84 -0.25 5.12 5.04 -1.26 -4.92 117.35 121.08 2vvp s TYR 40 Ca -0.03 0.88 -0.02 0.00 -2.44 0.00 0.00 57.07 55.46 2vvp s TYR 40 Cb 0.00 -3.61 0.08 0.00 0.35 0.00 0.00 41.96 38.78 2vvp s TYR 40 CO -0.06 -2.21 0.06 0.34 -1.34 0.00 0.00 175.55 172.35 2vvp s ASP 41 N 1.94 3.42 0.60 4.32 -1.08 -1.26 -5.03 116.67 119.58 2vvp s ASP 41 Ca 0.61 -1.18 0.29 0.00 -0.52 0.00 0.00 52.55 51.75 2vvp s ASP 41 Cb -0.29 -0.69 1.48 0.00 -1.46 0.00 0.00 42.92 41.96 2vvp s ASP 41 CO 0.24 -0.36 1.88 0.00 0.52 0.00 0.00 175.17 177.45 2vvp h ALA 42 N 8.20 2.04 -0.02 3.66 0.00 -1.95 -1.56 119.26 129.63 2vvp h ALA 42 Ca -0.16 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2vvp h ALA 42 Cb 1.07 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.89 2vvp h ALA 42 CO 0.40 -0.67 -0.11 -0.25 0.00 0.00 0.00 179.25 178.62 2vvp n ASP 43 N -3.55 2.55 -4.78 0.00 8.00 -1.26 -4.93 116.55 112.58 2vvp n ASP 43 Ca 0.07 -1.80 -0.30 0.00 0.71 0.00 0.00 54.79 53.47 2vvp n ASP 43 Cb 0.64 0.10 0.11 0.00 -0.02 0.00 0.00 41.12 41.94 2vvp n ASP 43 CO 0.00 0.00 0.00 1.51 -0.39 0.00 0.00 177.20 178.32 2vvp s ASP 44 N -2.12 4.14 -0.22 -2.24 1.47 -0.59 -5.02 116.67 112.10 2vvp s ASP 44 Ca 0.27 1.32 -0.02 0.00 1.18 0.00 0.00 52.55 55.30 2vvp s ASP 44 Cb 0.20 -2.02 0.01 0.00 -0.34 0.00 0.00 42.92 40.76 2vvp s ASP 44 CO 0.37 -2.19 -0.08 -1.81 0.68 0.00 0.00 175.17 172.13 2vvp s ASP 45 N -3.80 4.03 0.39 2.11 1.01 -1.26 -4.70 116.67 114.46 2vvp s ASP 45 Ca 0.62 -0.58 0.06 0.00 0.71 0.00 0.00 52.55 53.36 2vvp s ASP 45 Cb -0.15 -1.66 0.81 0.00 1.01 0.00 0.00 42.92 42.93 2vvp s ASP 45 CO 0.55 -0.04 2.04 0.10 0.21 0.00 0.00 175.17 178.02 2vvp h TYR 46 N 8.05 0.59 -0.50 4.23 -0.00 -1.95 -3.35 116.97 124.04 2vvp h TYR 46 Ca -0.40 0.01 0.09 0.00 0.00 0.00 0.00 58.73 58.43 2vvp h TYR 46 Cb 1.14 -0.20 -0.08 0.00 0.00 0.00 0.00 36.73 37.60 2vvp h TYR 46 CO 0.56 0.36 0.06 -1.35 -0.00 0.00 0.00 178.16 177.79 2vvp h PRO 47 N 0.63 0.18 -0.76 0.10 0.11 -1.96 -2.30 132.00 128.00 2vvp h PRO 47 Ca 0.19 -0.01 0.09 0.00 0.11 0.00 0.00 66.00 66.37 2vvp h PRO 47 Cb -0.01 -0.04 -0.07 0.00 0.11 0.00 0.00 31.00 30.99 2vvp h PRO 47 CO -0.04 0.12 0.42 0.00 -0.21 0.00 0.00 178.00 178.29 2vvp h ALA 48 N 1.42 1.06 -0.37 -0.75 0.00 -2.00 0.68 119.26 119.30 2vvp h ALA 48 Ca 0.26 0.03 -0.14 0.00 0.00 0.00 0.00 54.91 55.06 2vvp h ALA 48 Cb 0.37 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2vvp h ALA 48 CO -0.37 0.05 -0.34 0.74 0.00 0.00 0.00 179.25 179.33 2vvp h PHE 49 N 0.72 0.99 -0.16 0.00 -1.00 -1.65 -1.50 116.94 114.35 2vvp h PHE 49 Ca 0.36 -0.28 -0.12 0.00 2.81 0.00 0.00 57.97 60.75 2vvp h PHE 49 Cb 0.32 -0.22 0.00 0.00 3.61 0.00 0.00 35.95 39.66 2vvp h PHE 49 CO -0.08 1.06 -0.37 0.00 -1.61 0.00 0.00 178.31 177.32 2vvp h ILE 51 N 0.16 1.13 0.09 0.00 2.04 -0.91 -0.79 117.51 119.23 2vvp h ILE 51 Ca -0.00 -0.33 0.01 0.00 1.00 0.00 0.00 64.86 65.54 2vvp h ILE 51 Cb 0.98 0.08 -0.02 0.00 -0.74 0.00 0.00 36.82 37.12 2vvp h ILE 51 CO 0.08 0.18 -0.15 0.00 0.00 0.00 0.00 178.15 178.26 2vvp h ALA 52 N 1.31 -0.25 -0.51 1.87 0.00 -1.22 0.41 119.26 120.87 2vvp h ALA 52 Ca 0.30 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 2vvp h ALA 52 Cb -0.01 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 2vvp h ALA 52 CO -0.10 -0.67 0.27 0.00 0.00 0.00 0.00 179.25 178.75 2vvp h ALA 53 N 0.57 0.65 -0.51 0.00 0.00 -1.13 -1.14 119.26 117.71 2vvp h ALA 53 Ca 0.02 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.73 2vvp h ALA 53 Cb 0.31 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 2vvp h ALA 53 CO -0.08 0.19 -0.07 0.00 0.00 0.00 0.00 179.25 179.30 2vvp h ALA 54 N 1.10 0.70 -0.33 0.00 0.00 -1.02 -1.30 119.26 118.42 2vvp h ALA 54 Ca 0.18 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 2vvp h ALA 54 Cb 0.08 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 2vvp h ALA 54 CO -0.03 0.57 0.08 1.15 0.00 0.00 0.00 179.25 181.02 2vvp h THR 55 N 0.81 1.22 -0.76 0.00 2.02 -0.71 -1.10 112.91 114.40 2vvp h THR 55 Ca 0.14 -0.74 -0.06 0.00 0.77 0.00 0.00 66.41 66.52 2vvp h THR 55 Cb 0.61 1.08 -0.03 0.00 -1.74 0.00 0.00 68.15 68.07 2vvp h THR 55 CO 0.04 0.25 0.25 0.03 0.37 0.00 0.00 175.52 176.46 2vvp h ARG 56 N 0.37 1.17 0.09 6.66 3.08 -1.11 -1.89 114.38 122.75 2vvp h ARG 56 Ca 0.10 -0.24 -0.00 0.00 0.07 0.00 0.00 59.98 59.90 2vvp h ARG 56 Cb 0.30 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.17 2vvp h ARG 56 CO 0.00 0.98 -0.05 1.15 -1.07 0.00 0.00 179.97 180.99 2vvp h THR 57 N 1.12 0.94 -0.90 2.04 2.02 -1.04 -2.48 112.91 114.62 2vvp h THR 57 Ca 0.25 -0.12 0.01 0.00 0.77 0.00 0.00 66.41 67.32 2vvp h THR 57 Cb 0.29 1.02 -0.05 0.00 -1.74 0.00 0.00 68.15 67.68 2vvp h THR 57 CO -0.01 0.03 0.60 0.58 0.37 0.00 0.00 175.52 177.09 2vvp h VAL 58 N -0.18 1.22 0.00 3.16 2.07 -1.04 -2.38 116.25 119.11 2vvp h VAL 58 Ca -0.01 -0.42 0.00 0.00 0.82 0.00 0.00 66.70 67.09 2vvp h VAL 58 Cb 0.15 -0.09 0.00 0.00 -1.52 0.00 0.00 31.29 29.82 2vvp h VAL 58 CO 0.02 0.22 0.00 0.00 0.02 0.00 0.00 177.57 177.83 2vvp n ALA 59 N -2.40 2.19 -3.41 1.67 0.00 -0.72 -3.95 120.51 113.88 2vvp n ALA 59 Ca 0.11 -0.11 -0.26 0.00 0.00 0.00 0.00 53.44 53.18 2vvp n ALA 59 Cb 0.03 -1.39 -0.08 0.00 0.00 0.00 0.00 19.45 18.01 2vvp n ALA 59 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2vvp n ASP 60 N -1.33 2.27 -4.69 0.00 2.03 -0.89 -5.08 116.55 108.85 2vvp n ASP 60 Ca 0.10 -3.11 -0.42 0.00 0.52 0.00 0.00 54.79 51.88 2vvp n ASP 60 Cb 0.21 -0.66 -0.00 0.00 -0.72 0.00 0.00 41.12 39.94 2vvp n ASP 60 CO 0.00 0.00 0.00 -2.65 -1.92 0.00 0.00 177.20 172.63 2vvp n PRO 61 N 1.32 2.00 0.00 -0.67 -0.02 -1.25 -1.50 135.00 134.87 2vvp n PRO 61 Ca 0.26 0.70 0.00 0.00 -2.02 0.00 0.00 63.50 62.44 2vvp n PRO 61 Cb 0.44 -2.30 0.00 0.00 -0.02 0.00 0.00 33.50 31.62 2vvp n PRO 61 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2vvp n GLY 62 N 0.82 3.33 3.82 -1.23 0.00 -1.26 -5.06 105.19 105.61 2vvp n GLY 62 Ca 0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 2vvp n GLY 62 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2vvp s SER 63 N -0.65 4.80 0.36 1.61 1.04 -0.56 -4.71 113.70 115.59 2vvp s SER 63 Ca 0.00 1.33 0.06 0.00 0.48 0.00 0.00 55.95 57.82 2vvp s SER 63 Cb 0.00 -2.10 -0.07 0.00 0.10 0.00 0.00 66.02 63.95 2vvp s SER 63 CO 0.00 -1.77 0.01 -0.76 0.98 0.00 0.00 173.24 171.70 2vvp s LEU 64 N -5.67 2.58 0.02 2.42 1.43 -0.08 -4.92 118.68 114.46 2vvp s LEU 64 Ca 0.60 -1.35 -0.07 0.00 -1.03 0.00 0.00 54.13 52.28 2vvp s LEU 64 Cb -0.14 -0.70 -0.00 0.00 0.03 0.00 0.00 46.19 45.38 2vvp s LEU 64 CO 0.54 -0.48 0.13 -0.83 0.23 0.00 0.00 176.35 175.94 2vvp s GLY 65 N -3.60 0.08 -0.04 -3.19 0.00 0.41 -0.50 107.32 100.49 2vvp s GLY 65 Ca 0.35 -0.28 -0.00 0.00 0.00 0.00 0.00 44.72 44.79 2vvp s GLY 65 CO 0.16 -0.42 -0.00 -0.42 0.00 0.00 0.00 173.10 172.42 2vvp s ILE 66 N -1.84 0.28 -0.08 0.90 1.01 -0.10 -2.05 121.20 119.31 2vvp s ILE 66 Ca -0.11 0.08 0.04 0.00 0.00 0.00 0.00 60.65 60.65 2vvp s ILE 66 Cb -0.05 -0.38 -0.01 0.00 0.01 0.00 0.00 42.46 42.02 2vvp s ILE 66 CO -0.01 0.19 -0.19 0.68 0.00 0.00 0.00 174.94 175.61 2vvp s VAL 67 N 1.30 2.53 0.02 2.92 -7.23 -0.20 -1.65 120.40 118.08 2vvp s VAL 67 Ca -0.06 -0.88 0.06 0.00 -1.81 0.00 0.00 61.98 59.30 2vvp s VAL 67 Cb -0.13 -1.99 -0.02 0.00 0.56 0.00 0.00 36.38 34.80 2vvp s VAL 67 CO -0.02 0.56 -0.19 -0.76 -0.31 0.00 0.00 175.10 174.38 2vvp s LEU 68 N -0.06 2.12 0.00 1.32 2.01 0.12 -1.33 118.68 122.86 2vvp s LEU 68 Ca -0.05 -0.44 0.00 0.00 0.01 0.00 0.00 54.13 53.65 2vvp s LEU 68 Cb -0.14 -0.90 0.00 0.00 0.01 0.00 0.00 46.19 45.15 2vvp s LEU 68 CO 0.04 0.17 0.00 0.61 1.01 0.00 0.00 176.35 178.18 2vvp n GLY 69 N 2.15 3.16 0.20 -3.19 0.00 -1.11 -2.64 105.19 103.77 2vvp n GLY 69 Ca -0.16 -1.06 -0.14 0.00 0.00 0.00 0.00 46.02 44.66 2vvp n GLY 69 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2vvp h GLY 70 N 0.00 -0.42 0.00 -0.02 0.00 -1.86 0.31 103.07 101.08 2vvp h GLY 70 Ca 0.00 0.18 -0.10 0.00 0.00 0.00 0.00 47.33 47.41 2vvp h GLY 70 CO 0.00 -0.17 -1.79 -1.14 0.00 0.00 0.00 176.54 173.44 2vvp n SER 71 N -5.29 1.59 0.00 0.19 3.41 -1.26 -1.21 113.62 111.05 2vvp n SER 71 Ca -0.09 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.52 2vvp n SER 71 Cb 0.20 1.35 0.00 0.00 -0.26 0.00 0.00 64.21 65.50 2vvp n SER 71 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2vvp n GLY 72 N 1.85 1.87 0.07 5.00 0.00 -1.25 -2.99 105.19 109.74 2vvp n GLY 72 Ca -0.11 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.78 2vvp n GLY 72 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2vvp h ASN 73 N 0.00 0.01 -0.46 1.61 2.35 -1.94 -0.61 115.58 116.54 2vvp h ASN 73 Ca 0.00 -0.86 0.04 0.00 -0.55 0.00 0.00 56.30 54.93 2vvp h ASN 73 Cb 0.00 -0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.34 2vvp h ASN 73 CO 0.00 0.87 0.30 1.23 -1.65 0.00 0.00 177.43 178.18 2vvp h GLY 74 N -0.85 0.54 0.64 2.83 0.00 -1.99 -1.02 103.07 103.22 2vvp h GLY 74 Ca -0.00 -0.18 -0.00 0.00 0.00 0.00 0.00 47.33 47.15 2vvp h GLY 74 CO 0.00 0.15 -0.01 0.83 0.00 0.00 0.00 176.54 177.52 2vvp h GLU 75 N 0.46 -0.02 -0.43 4.80 3.07 -1.93 -0.42 114.58 120.11 2vvp h GLU 75 Ca 0.19 0.00 -0.06 0.00 -0.50 0.00 0.00 59.36 58.99 2vvp h GLU 75 Cb 0.18 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.07 2vvp h GLU 75 CO -0.05 0.34 0.02 -0.56 -1.40 0.00 0.00 179.01 177.37 2vvp h GLN 76 N -0.38 0.68 -0.30 2.33 -0.00 -0.90 -0.86 115.11 115.68 2vvp h GLN 76 Ca -0.00 -0.16 0.01 0.00 -0.00 0.00 0.00 58.65 58.49 2vvp h GLN 76 Cb 0.37 -0.09 -0.02 0.00 -0.00 0.00 0.00 27.48 27.74 2vvp h GLN 76 CO 0.00 0.68 0.19 0.82 -0.00 0.00 0.00 178.83 180.53 2vvp h ILE 77 N 0.65 1.07 -0.33 1.86 2.04 -0.98 0.93 117.51 122.75 2vvp h ILE 77 Ca 0.13 -0.14 -0.01 0.00 1.00 0.00 0.00 64.86 65.84 2vvp h ILE 77 Cb 0.37 0.63 -0.01 0.00 -0.74 0.00 0.00 36.82 37.07 2vvp h ILE 77 CO 0.01 0.07 0.15 0.00 0.00 0.00 0.00 178.15 178.39 2vvp h ALA 78 N 1.12 0.43 -0.87 1.87 0.00 -0.88 -2.54 119.26 118.39 2vvp h ALA 78 Ca 0.11 -0.11 0.06 0.00 0.00 0.00 0.00 54.91 54.97 2vvp h ALA 78 Cb -0.04 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 17.56 2vvp h ALA 78 CO -0.03 -0.00 0.54 0.00 0.00 0.00 0.00 179.25 179.76 2vvp h ALA 79 N 1.00 1.18 0.00 0.00 0.00 -0.84 -2.16 119.26 118.44 2vvp h ALA 79 Ca 0.11 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2vvp h ALA 79 Cb 0.14 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.68 2vvp h ALA 79 CO -0.01 0.31 0.00 0.09 0.00 0.00 0.00 179.25 179.64 2vvp n ASN 80 N -4.60 0.59 0.23 0.00 3.02 0.29 -1.67 115.26 113.12 2vvp n ASN 80 Ca 0.12 0.65 0.14 0.00 -0.03 0.00 0.00 54.58 55.46 2vvp n ASN 80 Cb 0.16 -0.77 0.45 0.00 -0.61 0.00 0.00 39.78 39.00 2vvp n ASN 80 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 2vvp h LYS 81 N 0.00 0.00 -6.40 3.52 1.79 -1.10 -3.45 116.57 110.93 2vvp h LYS 81 Ca 0.00 0.00 -0.54 0.00 -2.18 0.00 0.00 60.65 57.93 2vvp h LYS 81 Cb 0.35 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.00 2vvp h LYS 81 CO 0.00 0.00 0.83 0.08 -1.08 0.00 0.00 179.45 179.28 2vvp s VAL 82 N -3.41 3.63 0.04 0.50 1.01 -0.67 -4.94 120.40 116.56 2vvp s VAL 82 Ca 0.05 1.05 -0.36 0.00 0.00 0.00 0.00 61.98 62.71 2vvp s VAL 82 Cb 0.08 -3.67 -0.15 0.00 0.00 0.00 0.00 36.38 32.64 2vvp s VAL 82 CO 0.58 0.01 1.57 -2.65 0.00 0.00 0.00 175.10 174.61 2vvp n PRO 83 N 5.21 1.69 -0.10 2.72 -0.02 -1.26 -1.64 135.00 141.59 2vvp n PRO 83 Ca 0.13 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 62.22 2vvp n PRO 83 Cb 0.43 -2.34 0.00 0.00 -0.02 0.00 0.00 33.50 31.57 2vvp n PRO 83 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2vvp n GLY 84 N 3.36 1.73 3.78 -1.23 0.00 -1.26 -4.97 105.19 106.61 2vvp n GLY 84 Ca 0.20 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.83 2vvp n GLY 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2vvp s ALA 85 N -2.74 3.37 -0.23 4.61 0.00 -0.65 -4.97 121.76 121.14 2vvp s ALA 85 Ca 0.00 0.41 -0.00 0.00 0.00 0.00 0.00 51.96 52.36 2vvp s ALA 85 Cb 0.00 -3.03 0.06 0.00 0.00 0.00 0.00 23.12 20.16 2vvp s ALA 85 CO 0.00 0.26 -0.01 1.03 0.00 0.00 0.00 175.76 177.04 2vvp s ARG 86 N -1.52 1.28 -0.27 0.00 0.52 -1.26 -4.81 118.95 112.89 2vvp s ARG 86 Ca 0.41 -0.88 0.00 0.00 -0.52 0.00 0.00 55.73 54.75 2vvp s ARG 86 Cb -0.21 -2.43 0.05 0.00 0.52 0.00 0.00 34.95 32.87 2vvp s ARG 86 CO 0.26 -0.66 -0.06 0.00 0.02 0.00 0.00 175.30 174.86 2vvp s ALA 88 N 1.22 3.25 -0.32 0.00 0.00 -0.59 -4.84 121.76 120.49 2vvp s ALA 88 Ca -0.05 -0.29 -0.14 0.00 0.00 0.00 0.00 51.96 51.49 2vvp s ALA 88 Cb -0.19 -2.83 -0.03 0.00 0.00 0.00 0.00 23.12 20.08 2vvp s ALA 88 CO -0.04 -0.49 0.29 -1.17 0.00 0.00 0.00 175.76 174.35 2vvp s LEU 89 N -4.89 4.32 -0.34 0.00 2.96 -1.26 0.06 118.68 119.54 2vvp s LEU 89 Ca 0.51 -0.18 -0.13 0.00 -0.22 0.00 0.00 54.13 54.11 2vvp s LEU 89 Cb -0.11 -2.24 -0.02 0.00 0.50 0.00 0.00 46.19 44.33 2vvp s LEU 89 CO 0.48 -0.22 0.26 0.00 -1.32 0.00 0.00 176.35 175.54 2vvp s ALA 90 N 1.88 3.51 0.00 5.97 0.00 -0.11 -4.86 121.76 128.15 2vvp s ALA 90 Ca 0.09 -1.35 0.00 0.00 0.00 0.00 0.00 51.96 50.70 2vvp s ALA 90 Cb -0.17 -2.68 0.00 0.00 0.00 0.00 0.00 23.12 20.27 2vvp s ALA 90 CO 0.11 -0.97 0.75 -2.67 0.00 0.00 0.00 175.76 172.97 2vvp n TRP 91 N 5.14 0.00 -3.58 0.00 4.27 -1.26 -4.57 117.44 117.43 2vvp n TRP 91 Ca -0.12 -0.26 -0.09 0.00 -3.89 0.00 0.00 57.50 53.14 2vvp n TRP 91 Cb 0.50 -0.03 -0.02 0.00 -1.36 0.00 0.00 31.31 30.40 2vvp n TRP 91 CO 0.00 0.00 0.00 -1.54 -2.29 0.00 0.00 177.69 173.86 2vvp s SER 92 N -0.52 -0.39 0.24 -0.67 1.04 -1.26 -5.01 113.70 107.13 2vvp s SER 92 Ca 0.00 -0.19 -0.07 0.00 0.48 0.00 0.00 55.95 56.17 2vvp s SER 92 Cb 0.00 0.56 0.24 0.00 0.10 0.00 0.00 66.02 66.92 2vvp s SER 92 CO 0.00 -0.96 1.92 0.58 0.98 0.00 0.00 173.24 175.76 2vvp h VAL 93 N 2.00 1.25 -0.11 5.02 2.07 -1.91 -1.55 116.25 123.01 2vvp h VAL 93 Ca -0.26 -0.46 0.00 0.00 0.82 0.00 0.00 66.70 66.80 2vvp h VAL 93 Cb 1.27 -0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.87 2vvp h VAL 93 CO 0.31 0.24 0.06 -0.61 0.02 0.00 0.00 177.57 177.59 2vvp h GLN 94 N 1.30 0.12 -0.21 1.57 4.15 -1.97 -1.44 115.11 118.63 2vvp h GLN 94 Ca 0.35 -0.01 -0.12 0.00 0.77 0.00 0.00 58.65 59.64 2vvp h GLN 94 Cb -0.14 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 27.51 2vvp h GLN 94 CO -0.07 0.08 -0.37 1.79 -1.93 0.00 0.00 178.83 178.33 2vvp h THR 95 N 0.13 1.30 -0.43 2.39 1.35 -1.90 -0.77 112.91 114.97 2vvp h THR 95 Ca 0.04 -1.50 -0.01 0.00 -0.55 0.00 0.00 66.41 64.40 2vvp h THR 95 Cb 0.00 1.54 -0.02 0.00 -1.73 0.00 0.00 68.15 67.94 2vvp h THR 95 CO -0.03 0.47 0.23 0.00 -0.25 0.00 0.00 175.52 175.94 2vvp h ALA 96 N 1.20 0.55 -0.26 6.62 0.00 -1.13 -0.82 119.26 125.43 2vvp h ALA 96 Ca 0.04 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 2vvp h ALA 96 Cb 0.83 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 2vvp h ALA 96 CO 0.07 0.09 0.09 0.00 0.00 0.00 0.00 179.25 179.49 2vvp h ALA 97 N 1.08 0.34 -0.28 0.00 0.00 -1.07 -2.93 119.26 116.40 2vvp h ALA 97 Ca 0.15 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 2vvp h ALA 97 Cb 0.07 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 2vvp h ALA 97 CO -0.02 -0.03 -0.11 -0.07 0.00 0.00 0.00 179.25 179.02 2vvp h LEU 98 N 0.26 0.45 -0.85 0.00 3.38 -1.10 0.78 115.31 118.24 2vvp h LEU 98 Ca 0.09 -0.11 0.08 0.00 0.09 0.00 0.00 57.88 58.03 2vvp h LEU 98 Cb 0.23 -0.12 -0.07 0.00 0.09 0.00 0.00 40.66 40.79 2vvp h LEU 98 CO -0.00 0.60 0.50 0.00 0.09 0.00 0.00 178.44 179.62 2vvp h ALA 99 N 1.45 1.20 0.16 1.53 0.00 -0.96 0.86 119.26 123.50 2vvp h ALA 99 Ca 0.08 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 2vvp h ALA 99 Cb 0.46 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2vvp h ALA 99 CO 0.03 0.17 -0.08 0.00 0.00 0.00 0.00 179.25 179.37 2vvp h ARG 100 N 0.86 -0.21 -0.18 0.00 2.47 -1.30 0.28 114.38 116.31 2vvp h ARG 100 Ca 0.39 0.01 0.01 0.00 -1.26 0.00 0.00 59.98 59.14 2vvp h ARG 100 Cb 0.30 0.05 -0.02 0.00 -1.65 0.00 0.00 29.97 28.65 2vvp h ARG 100 CO -0.22 0.23 0.08 0.93 0.56 0.00 0.00 179.97 181.55 2vvp h GLU 101 N -0.83 0.17 0.03 0.04 5.08 -0.57 -2.52 114.58 115.98 2vvp h GLU 101 Ca -0.02 -0.01 -0.36 0.00 -1.00 0.00 0.00 59.36 57.97 2vvp h GLU 101 Cb 0.53 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.70 2vvp h GLU 101 CO 0.04 0.11 -2.01 0.72 -1.00 0.00 0.00 179.01 176.87 2vvp n HIS 102 N -5.02 0.64 1.04 4.33 8.25 0.27 -2.69 115.22 122.04 2vvp n HIS 102 Ca -0.03 0.20 0.11 0.00 -0.26 0.00 0.00 57.72 57.74 2vvp n HIS 102 Cb 0.06 -1.07 0.08 0.00 1.12 0.00 0.00 29.99 30.17 2vvp n HIS 102 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 2vvp n ASN 103 N -3.90 1.15 -4.24 0.41 5.03 -1.02 -4.82 115.26 107.88 2vvp n ASN 103 Ca -0.40 -0.94 -0.36 0.00 0.87 0.00 0.00 54.58 53.74 2vvp n ASN 103 Cb 0.89 0.55 -0.03 0.00 -1.02 0.00 0.00 39.78 40.18 2vvp n ASN 103 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 2vvp n ASN 104 N -0.99 -2.91 -4.70 6.41 5.15 -0.84 -4.84 115.26 112.54 2vvp n ASN 104 Ca 0.07 -1.04 -0.42 0.00 -0.60 0.00 0.00 54.58 52.59 2vvp n ASN 104 Cb 0.37 -2.65 -0.03 0.00 -0.53 0.00 0.00 39.78 36.94 2vvp n ASN 104 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2vvp s ALA 105 N -3.35 3.61 -0.39 5.20 0.00 0.03 -4.88 121.76 121.98 2vvp s ALA 105 Ca 0.69 1.03 0.22 0.00 0.00 0.00 0.00 51.96 53.90 2vvp s ALA 105 Cb -0.38 -3.60 0.32 0.00 0.00 0.00 0.00 23.12 19.46 2vvp s ALA 105 CO 0.94 -0.88 1.59 1.96 0.00 0.00 0.00 175.76 179.37 2vvp h GLN 106 N 7.66 0.00 -5.65 0.00 7.50 -1.77 -3.42 115.11 119.42 2vvp h GLN 106 Ca -0.40 0.00 -0.46 0.00 0.50 0.00 0.00 58.65 58.29 2vvp h GLN 106 Cb 1.19 0.00 -0.19 0.00 0.05 0.00 0.00 27.48 28.53 2vvp h GLN 106 CO 0.90 0.07 -0.78 -0.51 -1.50 0.00 0.00 178.83 177.01 2vvp s LEU 107 N -6.24 2.38 0.07 1.46 1.02 -1.03 -0.44 118.68 115.89 2vvp s LEU 107 Ca 0.07 -0.77 0.07 0.00 0.02 0.00 0.00 54.13 53.51 2vvp s LEU 107 Cb 0.05 -0.66 -0.03 0.00 0.02 0.00 0.00 46.19 45.57 2vvp s LEU 107 CO 0.68 -0.08 -0.19 0.27 0.02 0.00 0.00 176.35 177.05 2vvp s ILE 108 N -1.84 1.52 0.10 -0.59 -4.36 -0.87 -1.54 121.20 113.63 2vvp s ILE 108 Ca 0.09 -1.32 -0.11 0.00 -0.26 0.00 0.00 60.65 59.04 2vvp s ILE 108 Cb -0.07 -1.37 -0.06 0.00 1.25 0.00 0.00 42.46 42.21 2vvp s ILE 108 CO 0.04 0.00 0.45 -0.83 0.24 0.00 0.00 174.94 174.84 2vvp s GLY 109 N -1.55 2.38 -0.03 6.27 0.00 0.11 -1.04 107.32 113.45 2vvp s GLY 109 Ca 0.05 -0.30 0.02 0.00 0.00 0.00 0.00 44.72 44.49 2vvp s GLY 109 CO 0.03 -0.07 -0.08 -0.42 0.00 0.00 0.00 173.10 172.56 2vvp s ILE 110 N -1.42 0.76 -0.38 0.90 1.01 -0.44 -0.93 121.20 120.69 2vvp s ILE 110 Ca 0.34 -0.32 -0.24 0.00 0.00 0.00 0.00 60.65 60.44 2vvp s ILE 110 Cb -0.14 -0.70 0.01 0.00 0.01 0.00 0.00 42.46 41.65 2vvp s ILE 110 CO 0.18 0.25 0.83 -0.83 0.00 0.00 0.00 174.94 175.37 2vvp s GLY 111 N 0.39 1.62 0.49 6.18 0.00 -1.16 -2.76 107.32 112.07 2vvp s GLY 111 Ca -0.06 -0.64 0.23 0.00 0.00 0.00 0.00 44.72 44.24 2vvp s GLY 111 CO 0.01 1.84 2.01 -1.33 0.00 0.00 0.00 173.10 175.64 2vvp h GLY 112 N 9.92 0.00 0.17 0.20 0.00 0.05 -2.57 103.07 110.85 2vvp h GLY 112 Ca -0.24 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.09 2vvp h GLY 112 CO 0.94 0.00 -0.01 0.54 0.00 0.00 0.00 176.54 178.01 2vvp n ARG 113 N -3.81 1.36 -0.00 4.80 1.74 -0.35 -4.17 116.66 116.23 2vvp n ARG 113 Ca -0.02 -0.55 0.07 0.00 -0.77 0.00 0.00 57.85 56.57 2vvp n ARG 113 Cb 0.27 -1.49 -0.09 0.00 -1.02 0.00 0.00 32.46 30.13 2vvp n ARG 113 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 2vvp n MET 114 N -0.34 1.60 -4.09 5.56 2.81 -0.97 -5.02 117.12 116.67 2vvp n MET 114 Ca 0.21 -0.06 -0.10 0.00 -1.81 0.00 0.00 57.70 55.94 2vvp n MET 114 Cb 0.26 -1.22 -0.11 0.00 -0.71 0.00 0.00 33.22 31.44 2vvp n MET 114 CO 0.00 0.00 0.00 -1.01 1.51 0.00 0.00 175.97 176.47 2vvp s HIS 115 N -2.57 0.63 0.74 2.03 3.76 -1.25 -5.08 115.29 113.55 2vvp s HIS 115 Ca 0.00 -0.77 -0.11 0.00 -0.15 0.00 0.00 55.06 54.04 2vvp s HIS 115 Cb 0.09 -0.40 0.04 0.00 1.11 0.00 0.00 32.58 33.42 2vvp s HIS 115 CO 0.56 -0.19 1.08 0.95 -0.85 0.00 0.00 174.74 176.28 2vvp s THR 116 N -2.68 3.63 0.16 1.30 -4.23 -1.26 -4.86 115.64 107.70 2vvp s THR 116 Ca -0.00 0.53 -0.15 0.00 -1.18 0.00 0.00 61.69 60.88 2vvp s THR 116 Cb -0.01 -3.18 0.05 0.00 1.34 0.00 0.00 72.50 70.70 2vvp s THR 116 CO -0.04 -0.69 1.75 0.58 -0.54 0.00 0.00 174.62 175.68 2vvp h VAL 117 N -0.93 0.86 -0.53 2.29 2.07 -1.99 -0.48 116.25 117.54 2vvp h VAL 117 Ca -0.44 -0.10 0.11 0.00 0.82 0.00 0.00 66.70 67.08 2vvp h VAL 117 Cb 1.23 0.55 -0.09 0.00 -1.52 0.00 0.00 31.29 31.46 2vvp h VAL 117 CO 0.55 0.05 0.01 0.00 0.02 0.00 0.00 177.57 178.20 2vvp h ALA 118 N 1.27 0.52 -0.22 1.67 0.00 -1.99 0.11 119.26 120.62 2vvp h ALA 118 Ca 0.19 0.16 -0.00 0.00 0.00 0.00 0.00 54.91 55.25 2vvp h ALA 118 Cb 0.18 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 2vvp h ALA 118 CO -0.20 -0.38 0.14 0.93 0.00 0.00 0.00 179.25 179.73 2vvp h GLU 119 N 0.12 0.30 -0.64 0.00 5.08 -1.80 -1.67 114.58 115.97 2vvp h GLU 119 Ca 0.27 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.60 2vvp h GLU 119 Cb 0.42 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.57 2vvp h GLU 119 CO -0.44 0.23 0.38 0.00 -1.00 0.00 0.00 179.01 178.17 2vvp h ALA 120 N 1.05 0.82 -0.24 3.43 0.00 -0.46 -1.58 119.26 122.28 2vvp h ALA 120 Ca 0.08 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 2vvp h ALA 120 Cb 0.01 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 2vvp h ALA 120 CO -0.02 0.31 -0.18 -0.07 0.00 0.00 0.00 179.25 179.29 2vvp h LEU 121 N 0.87 0.40 -0.80 0.00 3.38 -0.66 -0.76 115.31 117.74 2vvp h LEU 121 Ca 0.23 -0.11 -0.09 0.00 0.09 0.00 0.00 57.88 58.00 2vvp h LEU 121 Cb -0.00 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 2vvp h LEU 121 CO -0.04 0.61 -0.05 0.00 0.09 0.00 0.00 178.44 179.04 2vvp h ALA 122 N 1.44 1.00 -0.23 1.53 0.00 -0.87 -0.71 119.26 121.41 2vvp h ALA 122 Ca 0.07 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 2vvp h ALA 122 Cb 0.54 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 2vvp h ALA 122 CO 0.04 0.61 0.11 0.82 0.00 0.00 0.00 179.25 180.82 2vvp h ILE 123 N 0.78 1.14 -0.46 0.00 2.04 -0.88 -2.14 117.51 117.99 2vvp h ILE 123 Ca 0.14 -0.42 0.03 0.00 1.00 0.00 0.00 64.86 65.61 2vvp h ILE 123 Cb 0.54 1.00 -0.03 0.00 -0.74 0.00 0.00 36.82 37.59 2vvp h ILE 123 CO 0.03 0.14 0.26 0.58 0.00 0.00 0.00 178.15 179.16 2vvp h VAL 124 N 0.23 1.02 -0.62 1.67 2.07 -0.90 -1.16 116.25 118.56 2vvp h VAL 124 Ca 0.08 -0.18 0.04 0.00 0.82 0.00 0.00 66.70 67.46 2vvp h VAL 124 Cb 0.13 0.45 -0.04 0.00 -1.52 0.00 0.00 31.29 30.31 2vvp h VAL 124 CO -0.01 0.10 0.36 0.44 0.02 0.00 0.00 177.57 178.48 2vvp h ASP 125 N 0.52 0.57 -0.50 0.57 3.32 -1.02 -1.26 116.42 118.62 2vvp h ASP 125 Ca 0.19 0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.25 2vvp h ASP 125 Cb 0.04 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.47 2vvp h ASP 125 CO -0.10 0.39 0.31 0.00 -1.72 0.00 0.00 179.24 178.11 2vvp h ALA 126 N 1.29 0.64 -0.39 3.45 0.00 -1.00 -2.32 119.26 120.93 2vvp h ALA 126 Ca 0.26 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 2vvp h ALA 126 Cb 0.08 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 2vvp h ALA 126 CO -0.13 0.13 0.19 0.35 0.00 0.00 0.00 179.25 179.78 2vvp h PHE 127 N 0.67 0.57 0.00 0.00 3.57 -0.63 -1.81 116.94 119.31 2vvp h PHE 127 Ca 0.18 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.65 2vvp h PHE 127 Cb -0.01 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 38.55 2vvp h PHE 127 CO -0.03 0.47 -0.18 1.33 -2.23 0.00 0.00 178.31 177.68 2vvp n VAL 128 N -4.70 0.07 -0.04 1.41 0.24 -0.53 -3.94 118.33 110.84 2vvp n VAL 128 Ca -0.00 -0.04 -0.02 0.00 -2.04 0.00 0.00 64.34 62.24 2vvp n VAL 128 Cb 0.11 -0.27 -0.11 0.00 -1.47 0.00 0.00 33.84 32.10 2vvp n VAL 128 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 2vvp n THR 129 N -1.60 0.57 -2.47 3.34 -2.24 -0.88 -4.88 114.28 106.11 2vvp n THR 129 Ca 0.06 -0.47 -0.42 0.00 -2.27 0.00 0.00 64.05 60.95 2vvp n THR 129 Cb 0.35 -0.35 -0.03 0.00 -2.10 0.00 0.00 70.33 68.21 2vvp n THR 129 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2vvp s THR 130 N -2.56 4.30 0.48 4.28 2.01 -0.69 -5.00 115.64 118.47 2vvp s THR 130 Ca -0.06 1.61 -0.20 0.00 0.31 0.00 0.00 61.69 63.35 2vvp s THR 130 Cb 0.06 -4.04 -0.09 0.00 0.01 0.00 0.00 72.50 68.44 2vvp s THR 130 CO 0.55 -0.03 1.02 -2.16 -0.69 0.00 0.00 174.62 173.31 2vvp s PRO 131 N 2.47 3.87 0.16 4.92 0.05 -1.26 -4.75 135.00 140.47 2vvp s PRO 131 Ca 0.55 1.27 -0.32 0.00 0.05 0.00 0.00 61.00 62.55 2vvp s PRO 131 Cb -0.23 -2.11 -0.10 0.00 0.05 0.00 0.00 34.50 32.10 2vvp s PRO 131 CO 0.20 -0.36 1.64 -0.46 0.05 0.00 0.00 177.00 178.07 2vvp s TRP 132 N -2.10 2.86 0.28 0.56 -0.00 -1.26 -3.67 118.94 115.62 2vvp s TRP 132 Ca 0.65 0.46 0.05 0.00 -0.00 0.00 0.00 56.10 57.26 2vvp s TRP 132 Cb -0.14 -4.01 0.40 0.00 -0.00 0.00 0.00 33.47 29.72 2vvp s TRP 132 CO 0.20 -3.83 1.68 0.66 -0.00 0.00 0.00 176.95 175.66 2vvp h SER 133 N 7.15 0.34 -0.43 5.86 4.64 -1.68 -3.47 113.55 125.95 2vvp h SER 133 Ca -0.43 -0.14 -0.19 0.00 -0.47 0.00 0.00 61.79 60.56 2vvp h SER 133 Cb 1.20 -0.09 -0.07 0.00 -0.31 0.00 0.00 62.40 63.13 2vvp h SER 133 CO 0.93 0.70 -0.17 0.29 -0.87 0.00 0.00 176.83 177.72 2vvp n LYS 134 N -4.03 -1.17 -2.06 4.77 5.02 -1.26 -4.98 118.16 114.44 2vvp n LYS 134 Ca -0.01 0.76 -0.40 0.00 -2.02 0.00 0.00 58.31 56.64 2vvp n LYS 134 Cb 0.48 -4.86 -0.01 0.00 -0.02 0.00 0.00 35.03 30.62 2vvp n LYS 134 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2vvp s ALA 135 N -2.07 3.42 0.21 7.82 0.00 -1.26 -4.82 121.76 125.06 2vvp s ALA 135 Ca 0.00 1.28 -0.11 0.00 0.00 0.00 0.00 51.96 53.13 2vvp s ALA 135 Cb 0.00 -3.49 0.28 0.00 0.00 0.00 0.00 23.12 19.91 2vvp s ALA 135 CO 0.00 -0.74 1.67 0.37 0.00 0.00 0.00 175.76 177.05 2vvp h GLN 136 N 3.10 0.12 -0.44 0.00 4.15 -1.99 -1.43 115.11 118.62 2vvp h GLN 136 Ca -0.49 -0.01 -0.08 0.00 0.77 0.00 0.00 58.65 58.84 2vvp h GLN 136 Cb 1.23 -0.03 -0.02 0.00 0.21 0.00 0.00 27.48 28.88 2vvp h GLN 136 CO 0.64 0.08 -0.06 0.07 -1.93 0.00 0.00 178.83 177.63 2vvp h ARG 137 N 0.12 0.75 -0.20 1.69 0.11 -2.00 -0.53 114.38 114.32 2vvp h ARG 137 Ca 0.31 -0.23 -0.06 0.00 0.10 0.00 0.00 59.98 60.11 2vvp h ARG 137 Cb 0.50 -0.08 -0.01 0.00 1.11 0.00 0.00 29.97 31.50 2vvp h ARG 137 CO -0.51 0.81 -0.10 0.45 0.10 0.00 0.00 179.97 180.71 2vvp h HIS 138 N 0.69 0.50 -0.74 4.08 3.86 -1.71 -2.06 115.15 119.77 2vvp h HIS 138 Ca 0.13 -0.12 0.06 0.00 -1.16 0.00 0.00 60.37 59.28 2vvp h HIS 138 Cb 0.52 -0.11 -0.06 0.00 1.06 0.00 0.00 27.41 28.82 2vvp h HIS 138 CO 0.03 0.72 0.43 1.96 0.86 0.00 0.00 177.93 181.92 2vvp h GLN 139 N 0.13 0.75 -0.38 2.45 4.20 -1.12 -0.34 115.11 120.79 2vvp h GLN 139 Ca 0.05 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2vvp h GLN 139 Cb 0.59 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 28.18 2vvp h GLN 139 CO 0.03 0.50 0.25 -0.09 -0.67 0.00 0.00 178.83 178.85 2vvp h ARG 140 N 0.77 0.51 -0.32 1.46 2.43 -0.86 0.34 114.38 118.71 2vvp h ARG 140 Ca 0.33 -0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.43 2vvp h ARG 140 Cb 0.20 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.63 2vvp h ARG 140 CO -0.19 0.35 0.06 0.00 -1.51 0.00 0.00 179.97 178.68 2vvp h ARG 141 N 0.52 0.53 -0.78 0.20 3.08 -1.07 -0.76 114.38 116.09 2vvp h ARG 141 Ca 0.14 -0.14 0.04 0.00 0.07 0.00 0.00 59.98 60.09 2vvp h ARG 141 Cb -0.04 -0.06 -0.05 0.00 0.08 0.00 0.00 29.97 29.89 2vvp h ARG 141 CO -0.03 0.61 0.49 0.82 -1.07 0.00 0.00 179.97 180.79 2vvp h ILE 142 N 0.36 1.10 -0.71 2.04 2.04 -0.88 -1.80 117.51 119.65 2vvp h ILE 142 Ca 0.10 -0.33 -0.06 0.00 1.00 0.00 0.00 64.86 65.58 2vvp h ILE 142 Cb 0.33 0.07 -0.03 0.00 -0.74 0.00 0.00 36.82 36.45 2vvp h ILE 142 CO 0.00 0.17 0.23 0.44 0.00 0.00 0.00 178.15 178.99 2vvp h ASP 143 N 0.95 1.03 -0.16 1.72 3.32 -0.63 0.03 116.42 122.68 2vvp h ASP 143 Ca 0.32 -0.19 -0.00 0.00 0.02 0.00 0.00 57.03 57.18 2vvp h ASP 143 Cb 0.04 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.32 2vvp h ASP 143 CO -0.12 0.95 0.09 0.40 -1.72 0.00 0.00 179.24 178.84 2vvp h ILE 144 N 1.06 1.08 -0.72 0.35 2.04 -0.69 -0.42 117.51 120.20 2vvp h ILE 144 Ca 0.23 -0.20 -0.04 0.00 1.00 0.00 0.00 64.86 65.85 2vvp h ILE 144 Cb 0.29 0.92 -0.03 0.00 -0.74 0.00 0.00 36.82 37.26 2vvp h ILE 144 CO -0.01 0.07 0.28 0.25 0.00 0.00 0.00 178.15 178.74 2vvp h LEU 145 N 0.18 1.01 -0.79 1.44 5.85 -1.13 -1.79 115.31 120.08 2vvp h LEU 145 Ca 0.06 -0.18 -0.06 0.00 0.84 0.00 0.00 57.88 58.54 2vvp h LEU 145 Cb 0.04 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.77 2vvp h LEU 145 CO -0.01 0.91 0.23 0.00 -0.34 0.00 0.00 178.44 179.23 2vvp h ALA 146 N 1.13 1.01 -0.53 1.25 0.00 -0.75 0.59 119.26 121.97 2vvp h ALA 146 Ca 0.24 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 2vvp h ALA 146 Cb 0.23 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 2vvp h ALA 146 CO -0.02 0.66 0.07 1.49 0.00 0.00 0.00 179.25 181.45 2vvp h GLU 147 N 1.09 0.85 -0.35 0.00 4.57 -0.76 -0.70 114.58 119.28 2vvp h GLU 147 Ca 0.24 -0.20 -0.01 0.00 -1.18 0.00 0.00 59.36 58.20 2vvp h GLU 147 Cb 0.30 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 28.77 2vvp h GLU 147 CO -0.01 0.80 0.16 -0.92 -1.18 0.00 0.00 179.01 177.87 2vvp h TYR 148 N 0.80 0.52 -0.87 0.92 5.03 -0.46 -2.42 116.97 120.49 2vvp h TYR 148 Ca 0.17 -0.03 0.07 0.00 2.58 0.00 0.00 58.73 61.51 2vvp h TYR 148 Cb 0.38 -0.16 -0.06 0.00 1.55 0.00 0.00 36.73 38.45 2vvp h TYR 148 CO 0.02 0.45 0.57 1.49 -1.32 0.00 0.00 178.16 179.37 2vvp h GLU 149 N 0.43 0.94 -0.33 1.82 4.81 -0.51 0.70 114.58 122.44 2vvp h GLU 149 Ca 0.12 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.27 2vvp h GLU 149 Cb 0.14 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.29 2vvp h GLU 149 CO -0.01 0.62 0.12 -0.09 -0.73 0.00 0.00 179.01 178.91 2vvp h ARG 150 N 0.97 0.50 0.00 1.92 2.43 -0.80 -3.37 114.38 116.03 2vvp h ARG 150 Ca 0.37 -0.10 0.00 0.00 -0.81 0.00 0.00 59.98 59.44 2vvp h ARG 150 Cb 0.22 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.69 2vvp h ARG 150 CO -0.14 0.52 -1.28 0.25 -1.51 0.00 0.00 179.97 177.81 2vvp n THR 151 N -4.69 0.00 -2.14 0.20 -2.24 -0.94 -5.01 114.28 99.45 2vvp n THR 151 Ca -0.02 -0.19 -0.16 0.00 -2.27 0.00 0.00 64.05 61.42 2vvp n THR 151 Cb 0.15 0.37 -0.03 0.00 -2.10 0.00 0.00 70.33 68.73 2vvp n THR 151 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2vvp n HIS 152 N -1.73 -0.95 -3.32 4.78 8.25 0.24 -4.97 115.22 117.52 2vvp n HIS 152 Ca -0.01 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.02 2vvp n HIS 152 Cb 0.20 -3.16 -0.09 0.00 1.12 0.00 0.00 29.99 28.06 2vvp n HIS 152 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 2vvp s GLU 153 N -4.54 3.21 0.18 -0.41 2.02 -1.26 -5.04 118.70 112.85 2vvp s GLU 153 Ca 0.00 -0.66 -0.32 0.00 0.02 0.00 0.00 54.97 54.01 2vvp s GLU 153 Cb 0.00 -3.93 -0.12 0.00 0.10 0.00 0.00 34.13 30.18 2vvp s GLU 153 CO 0.00 -0.79 1.76 0.00 0.02 0.00 0.00 175.26 176.25 2vvp n ALA 154 N 5.59 2.65 -1.77 5.21 0.00 -1.26 -4.73 120.51 126.20 2vvp n ALA 154 Ca -0.07 0.37 -0.38 0.00 0.00 0.00 0.00 53.44 53.36 2vvp n ALA 154 Cb 0.48 -2.55 -0.05 0.00 0.00 0.00 0.00 19.45 17.33 2vvp n ALA 154 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2vvp s PRO 155 N 1.68 4.48 0.54 0.00 0.04 -1.26 -4.99 135.00 135.49 2vvp s PRO 155 Ca 0.77 1.54 -0.20 0.00 0.04 0.00 0.00 61.00 63.15 2vvp s PRO 155 Cb -0.49 -2.86 -0.05 0.00 0.04 0.00 0.00 34.50 31.13 2vvp s PRO 155 CO 0.34 0.13 1.18 -1.25 0.04 0.00 0.00 177.00 177.44 2vvp s PRO 156 N -1.95 3.31 0.71 0.56 0.04 -1.26 -5.02 135.00 131.39 2vvp s PRO 156 Ca 0.50 1.76 -0.11 0.00 0.04 0.00 0.00 61.00 63.19 2vvp s PRO 156 Cb -0.24 -2.09 0.01 0.00 0.04 0.00 0.00 34.50 32.22 2vvp s PRO 156 CO 0.31 -0.92 1.07 0.14 0.04 0.00 0.00 177.00 177.64 2vvp s VAL 157 N -1.63 3.86 -2.00 -0.36 -7.23 -1.26 -5.30 120.40 106.48 2vvp s VAL 157 Ca 0.72 0.60 0.02 0.00 -1.81 0.00 0.00 61.98 61.52 2vvp s VAL 157 Cb -0.28 -3.44 0.06 0.00 0.56 0.00 0.00 36.38 33.28 2vvp s VAL 157 CO 0.32 -0.79 0.61 -2.65 -0.31 0.00 0.00 175.10 172.28