#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cv4 s GLY 3 N 0.00 -0.51 0.31 -1.23 0.00 -1.26 -5.09 107.32 99.54 2cv4 s GLY 3 Ca 0.00 1.22 -0.23 0.00 0.00 0.00 0.00 44.72 45.71 2cv4 s GLY 3 CO 0.00 0.70 0.88 -1.35 0.00 0.00 0.00 173.10 173.33 2cv4 s SER 4 N -1.71 7.20 0.17 1.64 1.04 -1.26 -5.09 113.70 115.68 2cv4 s SER 4 Ca -0.04 1.69 -0.12 0.00 0.48 0.00 0.00 55.95 57.96 2cv4 s SER 4 Cb -0.00 -2.53 0.01 0.00 0.10 0.00 0.00 66.02 63.60 2cv4 s SER 4 CO 0.00 -0.08 0.36 -0.63 0.98 0.00 0.00 173.24 173.88 2cv4 s ILE 5 N -1.67 0.06 1.03 -1.02 1.09 -1.26 -4.11 121.20 115.32 2cv4 s ILE 5 Ca 0.50 -1.11 -0.12 0.00 -1.10 0.00 0.00 60.65 58.81 2cv4 s ILE 5 Cb -0.17 -1.67 0.20 0.00 -1.06 0.00 0.00 42.46 39.77 2cv4 s ILE 5 CO 0.22 -0.27 1.08 -2.84 -0.10 0.00 0.00 174.94 173.02 2cv4 s PRO 6 N -3.92 0.20 0.12 2.79 0.02 -1.26 -5.02 135.00 127.93 2cv4 s PRO 6 Ca 0.12 0.68 0.06 0.00 0.02 0.00 0.00 61.00 61.89 2cv4 s PRO 6 Cb 0.02 -1.70 -0.04 0.00 0.02 0.00 0.00 34.50 32.81 2cv4 s PRO 6 CO -0.03 -2.93 -0.15 -0.51 -0.33 0.00 0.00 177.00 173.05 2cv4 s LEU 7 N -6.64 2.39 0.26 -5.54 1.43 -1.26 -5.08 118.68 104.23 2cv4 s LEU 7 Ca 0.66 -0.79 -0.31 0.00 -1.03 0.00 0.00 54.13 52.66 2cv4 s LEU 7 Cb -0.20 -0.60 -0.12 0.00 0.03 0.00 0.00 46.19 45.29 2cv4 s LEU 7 CO 0.59 -0.11 1.55 -0.38 0.23 0.00 0.00 176.35 178.23 2cv4 n ILE 8 N 0.61 0.81 0.00 -0.59 5.41 -1.26 -1.48 119.36 122.86 2cv4 n ILE 8 Ca -0.16 -0.20 0.00 0.00 1.00 0.00 0.00 62.75 63.39 2cv4 n ILE 8 Cb 0.56 -1.77 0.00 0.00 -0.71 0.00 0.00 39.64 37.73 2cv4 n ILE 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2cv4 n GLY 9 N 2.45 3.17 3.89 7.39 0.00 -0.56 -5.04 105.19 116.50 2cv4 n GLY 9 Ca 0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 2cv4 n GLY 9 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2cv4 s GLU 10 N -0.67 3.67 0.41 1.61 2.02 -0.55 -4.81 118.70 120.39 2cv4 s GLU 10 Ca 0.00 0.35 -0.24 0.00 0.02 0.00 0.00 54.97 55.10 2cv4 s GLU 10 Cb 0.00 -2.39 -0.09 0.00 0.10 0.00 0.00 34.13 31.76 2cv4 s GLU 10 CO 0.00 -0.11 1.07 0.50 0.02 0.00 0.00 175.26 176.75 2cv4 s ARG 11 N -4.23 4.07 0.13 1.61 3.52 -1.26 -2.07 118.95 120.71 2cv4 s ARG 11 Ca 0.49 1.56 -0.31 0.00 -0.13 0.00 0.00 55.73 57.35 2cv4 s ARG 11 Cb -0.10 -2.50 -0.08 0.00 -1.56 0.00 0.00 34.95 30.71 2cv4 s ARG 11 CO 0.37 -0.24 1.41 0.12 -0.81 0.00 0.00 175.30 176.15 2cv4 s PHE 12 N -1.65 3.22 -0.19 5.12 2.19 0.48 -4.84 117.98 122.32 2cv4 s PHE 12 Ca 0.59 0.93 -0.40 0.00 0.33 0.00 0.00 56.93 58.38 2cv4 s PHE 12 Cb -0.23 -3.71 -0.17 0.00 -1.31 0.00 0.00 43.02 37.60 2cv4 s PHE 12 CO 0.29 -2.48 1.54 -2.30 1.83 0.00 0.00 175.22 174.10 2cv4 n PRO 13 N 3.86 0.84 -1.84 10.12 -0.02 -1.26 -4.45 135.00 142.25 2cv4 n PRO 13 Ca 0.11 0.31 -0.37 0.00 -2.02 0.00 0.00 63.50 61.53 2cv4 n PRO 13 Cb 0.42 -1.93 0.05 0.00 -0.02 0.00 0.00 33.50 32.02 2cv4 n PRO 13 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 2cv4 s GLU 14 N 2.27 2.75 -0.08 -0.52 0.41 -1.26 -4.52 118.70 117.75 2cv4 s GLU 14 Ca 0.95 2.00 0.03 0.00 -0.41 0.00 0.00 54.97 57.55 2cv4 s GLU 14 Cb -1.13 -1.92 0.01 0.00 -1.78 0.00 0.00 34.13 29.31 2cv4 s GLU 14 CO 0.62 -1.42 -0.19 -1.21 -0.49 0.00 0.00 175.26 172.57 2cv4 s GLU 16 N -3.31 2.45 0.16 1.61 2.02 -1.26 -5.00 118.70 115.37 2cv4 s GLU 16 Ca 0.80 -0.68 0.10 0.00 0.02 0.00 0.00 54.97 55.21 2cv4 s GLU 16 Cb -0.36 -1.91 -0.04 0.00 0.10 0.00 0.00 34.13 31.93 2cv4 s GLU 16 CO 0.38 0.12 -0.23 0.14 0.02 0.00 0.00 175.26 175.69 2cv4 s VAL 17 N 0.47 2.14 -0.19 2.63 -7.23 0.15 -4.94 120.40 113.43 2cv4 s VAL 17 Ca -0.17 -1.88 -0.09 0.00 -1.81 0.00 0.00 61.98 58.03 2cv4 s VAL 17 Cb -0.17 -1.96 -0.05 0.00 0.56 0.00 0.00 36.38 34.76 2cv4 s VAL 17 CO 0.07 -0.11 0.10 -0.89 -0.31 0.00 0.00 175.10 173.96 2cv4 s THR 18 N -1.55 5.11 0.32 5.32 2.01 -1.26 -0.08 115.64 125.51 2cv4 s THR 18 Ca 0.16 0.08 0.03 0.00 0.31 0.00 0.00 61.69 62.27 2cv4 s THR 18 Cb -0.08 -3.32 -0.04 0.00 0.01 0.00 0.00 72.50 69.06 2cv4 s THR 18 CO 0.08 0.45 0.11 0.42 -0.69 0.00 0.00 174.62 174.99 2cv4 s THR 19 N 0.35 0.64 -2.00 -0.82 -4.23 -0.19 -0.83 115.64 108.56 2cv4 s THR 19 Ca 0.06 -2.00 0.11 0.00 -1.18 0.00 0.00 61.69 58.67 2cv4 s THR 19 Cb -0.12 -2.58 0.31 0.00 1.34 0.00 0.00 72.50 71.45 2cv4 s THR 19 CO -0.01 0.00 1.20 -0.90 -0.54 0.00 0.00 174.62 174.37 2cv4 n ASP 20 N -0.82 0.00 -0.28 3.99 3.85 -0.92 -1.47 116.55 120.90 2cv4 n ASP 20 Ca -0.01 -1.10 0.03 0.00 -0.71 0.00 0.00 54.79 52.99 2cv4 n ASP 20 Cb 0.66 0.00 0.06 0.00 -1.35 0.00 0.00 41.12 40.49 2cv4 n ASP 20 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 177.20 177.60 2cv4 n HIS 21 N -0.74 0.17 0.00 2.11 8.25 -1.26 -4.97 115.22 118.78 2cv4 n HIS 21 Ca 0.08 -0.39 0.00 0.00 -0.26 0.00 0.00 57.72 57.15 2cv4 n HIS 21 Cb 0.04 -0.03 0.00 0.00 1.12 0.00 0.00 29.99 31.12 2cv4 n HIS 21 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2cv4 n GLY 22 N 0.04 -0.78 3.77 -1.41 0.00 -0.54 -5.01 105.19 101.26 2cv4 n GLY 22 Ca 0.05 -2.22 -0.39 0.00 0.00 0.00 0.00 46.02 43.45 2cv4 n GLY 22 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2cv4 s VAL 23 N -0.36 4.66 0.04 1.61 1.01 -1.26 -1.02 120.40 125.08 2cv4 s VAL 23 Ca 0.00 1.51 0.03 0.00 0.00 0.00 0.00 61.98 63.52 2cv4 s VAL 23 Cb 0.00 -4.05 -0.02 0.00 0.00 0.00 0.00 36.38 32.30 2cv4 s VAL 23 CO 0.00 0.45 -0.09 -0.63 0.00 0.00 0.00 175.10 174.83 2cv4 s ILE 24 N -0.57 0.68 -0.20 2.22 1.01 0.89 -4.95 121.20 120.28 2cv4 s ILE 24 Ca 0.35 -1.04 -0.06 0.00 0.00 0.00 0.00 60.65 59.89 2cv4 s ILE 24 Cb -0.21 -0.70 -0.03 0.00 0.01 0.00 0.00 42.46 41.53 2cv4 s ILE 24 CO 0.22 -0.28 0.04 -0.75 0.00 0.00 0.00 174.94 174.17 2cv4 s LYS 25 N -1.45 3.77 -0.10 2.79 2.20 -1.26 0.33 119.74 126.02 2cv4 s LYS 25 Ca -0.06 -0.44 -0.03 0.00 -0.36 0.00 0.00 55.97 55.07 2cv4 s LYS 25 Cb -0.09 -3.17 -0.03 0.00 -1.51 0.00 0.00 37.83 33.03 2cv4 s LYS 25 CO 0.01 0.09 0.01 -0.51 -0.36 0.00 0.00 175.35 174.59 2cv4 s LEU 26 N 0.83 3.62 0.00 5.43 1.43 -1.26 -1.06 118.68 127.67 2cv4 s LEU 26 Ca 0.02 0.14 0.26 0.00 -1.03 0.00 0.00 54.13 53.52 2cv4 s LEU 26 Cb -0.14 -1.84 0.65 0.00 0.03 0.00 0.00 46.19 44.89 2cv4 s LEU 26 CO 0.02 0.35 1.50 -0.81 0.23 0.00 0.00 176.35 177.64 2cv4 n PRO 27 N 2.34 1.18 -0.35 1.29 -0.04 -1.26 -4.07 135.00 134.08 2cv4 n PRO 27 Ca -0.18 -0.78 0.03 0.00 -0.04 0.00 0.00 63.50 62.52 2cv4 n PRO 27 Cb 0.53 -1.48 0.09 0.00 -0.04 0.00 0.00 33.50 32.60 2cv4 n PRO 27 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2cv4 n ASP 28 N -0.23 -0.47 -0.13 3.54 9.92 -1.19 -1.23 116.55 126.77 2cv4 n ASP 28 Ca 0.13 1.65 0.20 0.00 -0.53 0.00 0.00 54.79 56.24 2cv4 n ASP 28 Cb 0.39 -0.44 0.61 0.00 -0.64 0.00 0.00 41.12 41.03 2cv4 n ASP 28 CO 0.00 0.00 0.00 -0.74 0.13 0.00 0.00 177.20 176.59 2cv4 h HIS 29 N 0.00 0.25 0.04 1.24 2.76 -1.46 0.47 115.15 118.45 2cv4 h HIS 29 Ca 0.40 0.01 -0.36 0.00 -2.20 0.00 0.00 60.37 58.22 2cv4 h HIS 29 Cb 0.64 -0.08 -0.05 0.00 1.55 0.00 0.00 27.41 29.47 2cv4 h HIS 29 CO -0.78 0.08 -2.17 0.66 -1.30 0.00 0.00 177.93 174.43 2cv4 n TYR 30 N -4.41 0.61 -0.22 5.26 4.01 -0.36 -4.02 117.16 118.03 2cv4 n TYR 30 Ca 0.15 0.16 -0.03 0.00 -0.16 0.00 0.00 57.90 58.01 2cv4 n TYR 30 Cb 0.67 -1.09 0.08 0.00 -0.31 0.00 0.00 39.34 38.69 2cv4 n TYR 30 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 2cv4 h VAL 31 N 0.03 1.03 0.00 -0.72 2.07 -0.39 -0.43 116.25 117.84 2cv4 h VAL 31 Ca -0.47 -0.25 -0.01 0.00 0.82 0.00 0.00 66.70 66.79 2cv4 h VAL 31 Cb 2.02 0.24 -0.00 0.00 -1.52 0.00 0.00 31.29 32.03 2cv4 h VAL 31 CO 0.02 0.13 -0.04 0.77 0.02 0.00 0.00 177.57 178.47 2cv4 h SER 32 N 0.72 0.00 0.25 0.57 4.64 -0.27 0.01 113.55 119.48 2cv4 h SER 32 Ca 0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.59 2cv4 h SER 32 Cb 0.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 2cv4 h SER 32 CO -0.14 0.04 -0.39 0.00 -0.87 0.00 0.00 176.83 175.47 2cv4 n GLN 33 N -3.89 0.63 -1.73 4.77 6.02 -0.85 -4.94 117.38 117.39 2cv4 n GLN 33 Ca -0.03 -0.41 -0.05 0.00 -0.01 0.00 0.00 57.00 56.51 2cv4 n GLN 33 Cb 0.13 -1.49 -0.01 0.00 1.02 0.00 0.00 30.24 29.89 2cv4 n GLN 33 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2cv4 n GLY 34 N 1.40 0.39 3.67 1.08 0.00 -0.01 -5.02 105.19 106.70 2cv4 n GLY 34 Ca 0.10 -0.74 -0.29 0.00 0.00 0.00 0.00 46.02 45.09 2cv4 n GLY 34 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2cv4 s LYS 35 N -3.55 2.46 0.42 1.61 1.02 -0.23 -4.84 119.74 116.64 2cv4 s LYS 35 Ca 0.00 -0.96 -0.02 0.00 0.02 0.00 0.00 55.97 55.01 2cv4 s LYS 35 Cb 0.00 -2.45 -0.03 0.00 -0.52 0.00 0.00 37.83 34.82 2cv4 s LYS 35 CO 0.00 0.50 0.68 -1.58 -0.92 0.00 0.00 175.35 174.03 2cv4 s TRP 36 N -1.46 3.51 0.03 3.18 0.52 -0.45 -3.98 118.94 120.28 2cv4 s TRP 36 Ca 0.26 0.58 0.00 0.00 0.02 0.00 0.00 56.10 56.96 2cv4 s TRP 36 Cb -0.11 -2.14 -0.02 0.00 -1.15 0.00 0.00 33.47 30.05 2cv4 s TRP 36 CO 0.18 -0.13 -0.04 -0.59 0.02 0.00 0.00 176.95 176.40 2cv4 s PHE 37 N -2.56 0.35 -0.18 -1.98 -0.71 -0.43 -0.28 117.98 112.19 2cv4 s PHE 37 Ca 0.44 -0.58 -0.01 0.00 -1.04 0.00 0.00 56.93 55.74 2cv4 s PHE 37 Cb -0.10 -0.24 0.00 0.00 -1.21 0.00 0.00 43.02 41.47 2cv4 s PHE 37 CO 0.41 -0.19 -0.12 0.08 -1.34 0.00 0.00 175.22 174.05 2cv4 s VAL 38 N -1.71 2.82 -0.20 -2.49 1.01 0.09 -1.64 120.40 118.28 2cv4 s VAL 38 Ca -0.13 -0.70 -0.05 0.00 0.00 0.00 0.00 61.98 61.10 2cv4 s VAL 38 Cb -0.08 -2.23 -0.03 0.00 0.00 0.00 0.00 36.38 34.04 2cv4 s VAL 38 CO -0.02 0.49 0.01 -0.22 0.00 0.00 0.00 175.10 175.36 2cv4 s LEU 39 N 1.14 3.35 -0.03 3.92 0.20 0.35 -2.12 118.68 125.48 2cv4 s LEU 39 Ca 0.01 -0.16 0.03 0.00 0.69 0.00 0.00 54.13 54.70 2cv4 s LEU 39 Cb -0.14 -1.85 0.00 0.00 -0.43 0.00 0.00 46.19 43.77 2cv4 s LEU 39 CO -0.04 0.08 -0.11 0.72 -0.29 0.00 0.00 176.35 176.71 2cv4 s PHE 40 N 0.92 1.16 0.14 5.38 -0.12 -0.73 -0.19 117.98 124.54 2cv4 s PHE 40 Ca 0.02 -0.32 0.04 0.00 -0.05 0.00 0.00 56.93 56.61 2cv4 s PHE 40 Cb -0.14 -0.82 -0.04 0.00 -0.63 0.00 0.00 43.02 41.39 2cv4 s PHE 40 CO 0.02 -0.14 0.15 -1.54 -0.05 0.00 0.00 175.22 173.67 2cv4 s SER 41 N 0.25 5.70 0.03 1.98 1.04 -0.19 -0.56 113.70 121.94 2cv4 s SER 41 Ca -0.05 -0.04 0.03 0.00 0.48 0.00 0.00 55.95 56.37 2cv4 s SER 41 Cb -0.10 -1.55 -0.02 0.00 0.10 0.00 0.00 66.02 64.45 2cv4 s SER 41 CO 0.01 0.09 -0.08 -1.00 0.98 0.00 0.00 173.24 173.24 2cv4 s HIS 42 N -1.67 0.72 0.23 5.02 3.76 0.18 -3.80 115.29 119.73 2cv4 s HIS 42 Ca 0.31 -0.34 -0.04 0.00 -0.15 0.00 0.00 55.06 54.84 2cv4 s HIS 42 Cb -0.11 -0.43 0.23 0.00 1.11 0.00 0.00 32.58 33.38 2cv4 s HIS 42 CO 0.24 -0.04 1.71 -1.00 -0.85 0.00 0.00 174.74 174.80 2cv4 h PRO 43 N 5.08 0.88 -1.84 8.40 0.13 -1.77 -3.37 132.00 139.50 2cv4 h PRO 43 Ca -0.34 -0.26 -0.01 0.00 -0.87 0.00 0.00 66.00 64.52 2cv4 h PRO 43 Cb 1.19 -0.09 -0.22 0.00 0.13 0.00 0.00 31.00 32.02 2cv4 h PRO 43 CO 0.44 0.89 0.29 0.00 -0.23 0.00 0.00 178.00 179.40 2cv4 s ALA 44 N -4.95 -1.84 0.92 -0.56 0.00 -1.26 -4.09 121.76 109.97 2cv4 s ALA 44 Ca -0.10 1.66 -0.11 0.00 0.00 0.00 0.00 51.96 53.41 2cv4 s ALA 44 Cb 0.14 -0.71 0.14 0.00 0.00 0.00 0.00 23.12 22.69 2cv4 s ALA 44 CO 0.83 -0.33 1.09 -0.51 0.00 0.00 0.00 175.76 176.85 2cv4 s ASP 45 N -0.49 3.17 -1.44 0.00 1.01 -1.26 -3.65 116.67 114.00 2cv4 s ASP 45 Ca -0.04 1.70 -0.07 0.00 0.71 0.00 0.00 52.55 54.85 2cv4 s ASP 45 Cb -0.02 -2.34 0.04 0.00 1.01 0.00 0.00 42.92 41.61 2cv4 s ASP 45 CO 0.03 -2.86 0.60 0.49 0.21 0.00 0.00 175.17 173.64 2cv4 n PHE 46 N -4.05 -1.95 -5.10 4.23 3.01 -1.26 -5.01 117.46 107.33 2cv4 n PHE 46 Ca 0.08 0.54 -0.30 0.00 1.01 0.00 0.00 57.45 58.78 2cv4 n PHE 46 Cb 0.54 -3.89 -0.15 0.00 -0.01 0.00 0.00 39.48 35.97 2cv4 n PHE 46 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 2cv4 s THR 47 N -3.09 1.98 0.00 4.37 -4.23 -1.24 -5.07 115.64 108.36 2cv4 s THR 47 Ca 0.37 -1.16 -0.00 0.00 -1.18 0.00 0.00 61.69 59.72 2cv4 s THR 47 Cb -0.18 -1.66 -0.00 0.00 1.34 0.00 0.00 72.50 72.00 2cv4 s THR 47 CO 0.46 0.48 1.00 -0.65 -0.54 0.00 0.00 174.62 175.37 2cv4 h PRO 48 N 5.27 -0.00 -0.15 3.99 0.11 -1.94 -1.03 132.00 138.25 2cv4 h PRO 48 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 2cv4 h PRO 48 Cb 1.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.24 2cv4 h PRO 48 CO 0.46 -0.00 0.00 0.28 -0.21 0.00 0.00 178.00 178.53 2cv4 n VAL 49 N -2.63 0.00 0.00 3.15 0.31 -1.26 -0.74 118.33 117.16 2cv4 n VAL 49 Ca -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2cv4 n VAL 49 Cb 0.00 -0.02 0.00 0.00 -0.91 0.00 0.00 33.84 32.91 2cv4 n VAL 49 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 2cv4 n THR 51 N 0.29 0.00 -0.11 2.52 -1.04 -0.39 -1.28 114.28 114.27 2cv4 n THR 51 Ca 0.00 0.00 -0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2cv4 n THR 51 Cb 0.00 0.00 0.26 0.00 -1.82 0.00 0.00 70.33 68.77 2cv4 n THR 51 CO 0.00 0.00 0.00 0.71 -0.64 0.00 0.00 175.07 175.14 2cv4 h THR 52 N 0.00 1.19 -0.33 12.58 1.35 -1.21 -2.33 112.91 124.17 2cv4 h THR 52 Ca 0.00 -0.57 -0.12 0.00 -0.55 0.00 0.00 66.41 65.16 2cv4 h THR 52 Cb 0.00 0.53 -0.01 0.00 -1.73 0.00 0.00 68.15 66.94 2cv4 h THR 52 CO 0.00 0.23 -0.28 -0.33 -0.25 0.00 0.00 175.52 174.89 2cv4 h GLU 53 N 0.77 0.76 -0.42 4.72 5.08 -1.45 -1.73 114.58 122.30 2cv4 h GLU 53 Ca 0.19 -0.39 0.00 0.00 -1.00 0.00 0.00 59.36 58.16 2cv4 h GLU 53 Cb 0.12 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 2cv4 h GLU 53 CO -0.02 1.01 0.27 0.74 -1.00 0.00 0.00 179.01 180.01 2cv4 h PHE 54 N 0.53 0.54 -0.66 4.33 -1.00 -1.78 -0.19 116.94 118.72 2cv4 h PHE 54 Ca 0.06 0.01 0.01 0.00 2.81 0.00 0.00 57.97 60.85 2cv4 h PHE 54 Cb 0.85 -0.18 -0.03 0.00 3.61 0.00 0.00 35.95 40.19 2cv4 h PHE 54 CO 0.07 0.36 0.43 0.28 -1.61 0.00 0.00 178.31 177.85 2cv4 h VAL 55 N 0.57 1.16 -0.71 -0.55 2.07 -1.41 0.12 116.25 117.50 2cv4 h VAL 55 Ca 0.15 -0.30 -0.05 0.00 0.82 0.00 0.00 66.70 67.32 2cv4 h VAL 55 Cb -0.04 0.20 -0.03 0.00 -1.52 0.00 0.00 31.29 29.90 2cv4 h VAL 55 CO -0.03 0.16 0.26 -1.28 0.02 0.00 0.00 177.57 176.70 2cv4 h SER 56 N 0.88 1.00 -0.46 0.57 0.87 -0.96 -0.13 113.55 115.32 2cv4 h SER 56 Ca 0.24 -0.19 -0.05 0.00 -1.23 0.00 0.00 61.79 60.57 2cv4 h SER 56 Cb -0.09 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 61.59 2cv4 h SER 56 CO -0.06 0.92 0.09 -0.26 -0.53 0.00 0.00 176.83 176.99 2cv4 h PHE 57 N 1.03 0.80 0.19 2.24 0.04 -0.57 -2.43 116.94 118.23 2cv4 h PHE 57 Ca 0.23 -0.11 0.00 0.00 2.80 0.00 0.00 57.97 60.90 2cv4 h PHE 57 Cb 0.25 -0.22 -0.01 0.00 2.20 0.00 0.00 35.95 38.16 2cv4 h PHE 57 CO 0.02 0.74 -0.17 0.00 -0.60 0.00 0.00 178.31 178.30 2cv4 h ALA 58 N 0.96 -0.36 -0.19 2.45 0.00 -0.20 -1.28 119.26 120.65 2cv4 h ALA 58 Ca 0.14 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.05 2cv4 h ALA 58 Cb 0.36 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 2cv4 h ALA 58 CO 0.01 -0.72 0.25 0.00 0.00 0.00 0.00 179.25 178.79 2cv4 h ARG 59 N -0.38 0.00 -0.44 0.00 3.08 -0.94 0.31 114.38 116.01 2cv4 h ARG 59 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2cv4 h ARG 59 Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.41 2cv4 h ARG 59 CO -0.03 0.00 0.00 0.54 -1.07 0.00 0.00 179.97 179.41 2cv4 n ARG 60 N -3.60 3.62 -0.25 0.04 1.74 -0.57 -4.61 116.66 113.03 2cv4 n ARG 60 Ca 0.02 -2.85 -0.07 0.00 -0.77 0.00 0.00 57.85 54.19 2cv4 n ARG 60 Cb 0.37 -1.90 0.07 0.00 -1.02 0.00 0.00 32.46 29.98 2cv4 n ARG 60 CO 0.00 0.00 0.00 -0.92 -1.52 0.00 0.00 177.63 175.19 2cv4 h TYR 61 N 2.90 1.17 -0.72 -1.55 5.03 -0.02 -2.70 116.97 121.09 2cv4 h TYR 61 Ca 0.00 -0.13 -0.02 0.00 2.58 0.00 0.00 58.73 61.16 2cv4 h TYR 61 Cb 1.50 -0.33 -0.03 0.00 1.55 0.00 0.00 36.73 39.42 2cv4 h TYR 61 CO 0.68 0.94 0.38 0.93 -1.32 0.00 0.00 178.16 179.77 2cv4 h GLU 62 N 1.06 1.00 -0.44 1.82 4.39 -1.81 0.34 114.58 120.93 2cv4 h GLU 62 Ca 0.22 -0.11 -0.03 0.00 0.34 0.00 0.00 59.36 59.78 2cv4 h GLU 62 Cb 0.35 -0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 28.78 2cv4 h GLU 62 CO -0.00 0.74 0.16 -0.44 -1.16 0.00 0.00 179.01 178.31 2cv4 h ASP 63 N 1.00 0.63 -0.44 1.42 3.32 -1.82 -0.77 116.42 119.76 2cv4 h ASP 63 Ca 0.25 -0.18 -0.04 0.00 0.02 0.00 0.00 57.03 57.08 2cv4 h ASP 63 Cb 0.04 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.41 2cv4 h ASP 63 CO -0.04 0.64 0.12 -0.26 -1.72 0.00 0.00 179.24 177.98 2cv4 h PHE 64 N 0.58 0.73 -0.97 4.55 0.04 -1.10 -2.69 116.94 118.08 2cv4 h PHE 64 Ca 0.15 -0.08 0.04 0.00 2.80 0.00 0.00 57.97 60.88 2cv4 h PHE 64 Cb 0.22 -0.21 -0.06 0.00 2.20 0.00 0.00 35.95 38.11 2cv4 h PHE 64 CO 0.01 0.67 0.63 1.96 -0.60 0.00 0.00 178.31 180.98 2cv4 h GLN 65 N 0.58 1.18 -0.03 1.51 1.08 -0.76 0.12 115.11 118.78 2cv4 h GLN 65 Ca 0.14 -0.07 -0.08 0.00 -1.45 0.00 0.00 58.65 57.19 2cv4 h GLN 65 Cb 0.30 -0.27 -0.01 0.00 -0.05 0.00 0.00 27.48 27.45 2cv4 h GLN 65 CO -0.00 0.78 -0.36 0.00 -0.95 0.00 0.00 178.83 178.30 2cv4 h ARG 66 N 1.21 0.06 -0.00 1.46 3.08 -0.98 -1.92 114.38 117.28 2cv4 h ARG 66 Ca 0.39 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.42 2cv4 h ARG 66 Cb 0.03 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.08 2cv4 h ARG 66 CO -0.13 0.41 -0.07 1.28 -1.07 0.00 0.00 179.97 180.39 2cv4 n LEU 67 N -4.10 0.20 -0.77 3.04 4.77 -0.51 -4.90 117.00 114.74 2cv4 n LEU 67 Ca -0.02 0.19 -0.03 0.00 -0.03 0.00 0.00 56.01 56.12 2cv4 n LEU 67 Cb 0.41 -0.27 0.01 0.00 -2.33 0.00 0.00 43.42 41.24 2cv4 n LEU 67 CO 0.39 0.04 0.02 0.61 -1.33 0.00 0.00 177.39 177.12 2cv4 n GLY 68 N 1.32 0.70 3.14 -0.72 0.00 -0.59 -4.91 105.19 104.12 2cv4 n GLY 68 Ca 0.13 -0.61 -0.30 0.00 0.00 0.00 0.00 46.02 45.25 2cv4 n GLY 68 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2cv4 s VAL 69 N -2.88 1.76 0.20 1.61 1.01 0.30 -1.34 120.40 121.05 2cv4 s VAL 69 Ca 0.06 -0.83 0.04 0.00 0.00 0.00 0.00 61.98 61.25 2cv4 s VAL 69 Cb -0.03 -1.55 -0.03 0.00 0.00 0.00 0.00 36.38 34.77 2cv4 s VAL 69 CO 0.07 0.49 0.32 -1.81 0.00 0.00 0.00 175.10 174.17 2cv4 s ASP 70 N 0.58 6.26 0.11 3.32 1.01 0.61 -3.59 116.67 124.97 2cv4 s ASP 70 Ca -0.14 0.09 0.10 0.00 0.71 0.00 0.00 52.55 53.31 2cv4 s ASP 70 Cb -0.17 -1.85 -0.04 0.00 1.01 0.00 0.00 42.92 41.88 2cv4 s ASP 70 CO 0.05 -0.02 -0.25 -0.76 0.21 0.00 0.00 175.17 174.40 2cv4 s LEU 71 N -3.65 2.34 -0.26 1.23 1.43 -1.26 -0.73 118.68 117.78 2cv4 s LEU 71 Ca 0.34 -0.68 -0.11 0.00 -1.03 0.00 0.00 54.13 52.65 2cv4 s LEU 71 Cb -0.10 -1.28 0.10 0.00 0.03 0.00 0.00 46.19 44.94 2cv4 s LEU 71 CO 0.28 0.20 0.60 -0.51 0.23 0.00 0.00 176.35 177.15 2cv4 s ILE 72 N -1.01 -0.51 0.78 -0.59 2.07 -0.90 -4.22 121.20 116.82 2cv4 s ILE 72 Ca 0.14 0.04 -0.04 0.00 -1.41 0.00 0.00 60.65 59.38 2cv4 s ILE 72 Cb -0.10 -0.90 0.16 0.00 0.13 0.00 0.00 42.46 41.75 2cv4 s ILE 72 CO 0.06 0.02 1.07 0.61 -1.91 0.00 0.00 174.94 174.78 2cv4 n GLY 73 N 4.94 0.12 3.53 1.50 0.00 -0.33 -1.78 105.19 113.18 2cv4 n GLY 73 Ca -0.15 -1.95 -0.01 0.00 0.00 0.00 0.00 46.02 43.91 2cv4 n GLY 73 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2cv4 s LEU 74 N 0.00 -1.13 0.22 0.99 0.20 0.27 -0.54 118.68 118.69 2cv4 s LEU 74 Ca 0.68 1.41 0.05 0.00 0.69 0.00 0.00 54.13 56.95 2cv4 s LEU 74 Cb -0.03 2.19 -0.05 0.00 -0.43 0.00 0.00 46.19 47.86 2cv4 s LEU 74 CO 0.45 -0.23 -0.04 -0.55 -0.29 0.00 0.00 176.35 175.69 2cv4 s SER 75 N 2.86 2.02 0.14 3.68 0.15 -0.86 0.49 113.70 122.19 2cv4 s SER 75 Ca -0.02 -1.15 0.26 0.00 0.70 0.00 0.00 55.95 55.74 2cv4 s SER 75 Cb -0.12 -0.03 0.67 0.00 -1.71 0.00 0.00 66.02 64.82 2cv4 s SER 75 CO -0.19 -0.42 1.61 0.52 1.20 0.00 0.00 173.24 175.96 2cv4 n VAL 76 N -0.39 0.41 -1.66 4.45 0.31 -1.26 -1.74 118.33 118.45 2cv4 n VAL 76 Ca -0.06 -0.23 -0.29 0.00 -0.01 0.00 0.00 64.34 63.74 2cv4 n VAL 76 Cb 0.63 -0.36 0.14 0.00 -0.91 0.00 0.00 33.84 33.34 2cv4 n VAL 76 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 2cv4 s ASP 77 N -4.15 3.45 0.74 4.52 1.01 -1.26 -2.49 116.67 118.49 2cv4 s ASP 77 Ca 0.09 0.76 -0.12 0.00 0.71 0.00 0.00 52.55 54.00 2cv4 s ASP 77 Cb 0.14 -1.19 0.03 0.00 1.01 0.00 0.00 42.92 42.91 2cv4 s ASP 77 CO 0.64 -2.57 1.12 -0.94 0.21 0.00 0.00 175.17 173.64 2cv4 s SER 78 N -4.31 5.17 0.43 0.27 1.04 -1.26 -2.96 113.70 112.08 2cv4 s SER 78 Ca 0.66 1.03 0.17 0.00 0.48 0.00 0.00 55.95 58.29 2cv4 s SER 78 Cb -0.11 -1.74 0.95 0.00 0.10 0.00 0.00 66.02 65.22 2cv4 s SER 78 CO 0.52 -1.51 1.92 -0.37 0.98 0.00 0.00 173.24 174.78 2cv4 h VAL 79 N -0.77 1.04 -0.03 5.02 -1.51 -1.94 -1.60 116.25 116.45 2cv4 h VAL 79 Ca -0.45 -0.97 -0.00 0.00 -1.23 0.00 0.00 66.70 64.05 2cv4 h VAL 79 Cb 1.28 1.54 -0.00 0.00 -2.13 0.00 0.00 31.29 31.98 2cv4 h VAL 79 CO 0.64 0.26 0.02 -0.26 -1.23 0.00 0.00 177.57 177.00 2cv4 h PHE 80 N 0.00 0.04 -0.77 5.19 0.04 -1.99 0.03 116.94 119.48 2cv4 h PHE 80 Ca -0.00 -0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.74 2cv4 h PHE 80 Cb 0.52 -0.01 -0.04 0.00 2.20 0.00 0.00 35.95 38.63 2cv4 h PHE 80 CO 0.00 0.10 0.36 0.77 -0.60 0.00 0.00 178.31 178.95 2cv4 h SER 81 N -0.04 1.01 -0.15 2.17 0.02 -1.87 -0.55 113.55 114.15 2cv4 h SER 81 Ca 0.01 -0.14 0.03 0.00 -0.84 0.00 0.00 61.79 60.85 2cv4 h SER 81 Cb 0.08 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 62.33 2cv4 h SER 81 CO -0.00 0.87 -0.04 0.45 -1.14 0.00 0.00 176.83 176.96 2cv4 h HIS 82 N 1.09 -0.09 -0.21 3.45 3.86 -1.03 0.21 115.15 122.42 2cv4 h HIS 82 Ca 0.26 0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.46 2cv4 h HIS 82 Cb 0.13 0.06 -0.01 0.00 1.06 0.00 0.00 27.41 28.65 2cv4 h HIS 82 CO 0.01 -0.07 0.03 0.82 0.86 0.00 0.00 177.93 179.58 2cv4 h ILE 83 N -0.01 1.22 -0.80 2.45 2.04 -0.63 0.60 117.51 122.39 2cv4 h ILE 83 Ca 0.07 -0.74 0.02 0.00 1.00 0.00 0.00 64.86 65.21 2cv4 h ILE 83 Cb 0.12 1.31 -0.04 0.00 -0.74 0.00 0.00 36.82 37.47 2cv4 h ILE 83 CO -0.16 0.23 0.53 0.11 0.00 0.00 0.00 178.15 178.86 2cv4 h LYS 84 N 0.15 1.01 -0.19 2.37 1.79 -1.02 0.20 116.57 120.87 2cv4 h LYS 84 Ca 0.06 -0.06 -0.06 0.00 -2.18 0.00 0.00 60.65 58.41 2cv4 h LYS 84 Cb 0.32 -0.23 -0.00 0.00 -1.58 0.00 0.00 32.23 30.73 2cv4 h LYS 84 CO 0.00 0.67 -0.12 2.35 -1.08 0.00 0.00 179.45 181.27 2cv4 h TRP 85 N 1.04 0.48 -0.80 -1.35 7.01 -0.68 -0.90 115.95 120.76 2cv4 h TRP 85 Ca 0.31 -0.13 -0.02 0.00 2.11 0.00 0.00 58.89 61.15 2cv4 h TRP 85 Cb -0.05 -0.11 -0.04 0.00 -2.10 0.00 0.00 29.16 26.87 2cv4 h TRP 85 CO -0.00 0.74 0.40 0.87 -2.79 0.00 0.00 178.44 177.66 2cv4 h LYS 86 N 0.09 1.13 -0.59 2.65 1.57 -0.63 -1.69 116.57 119.11 2cv4 h LYS 86 Ca 0.04 -0.15 -0.03 0.00 -1.87 0.00 0.00 60.65 58.64 2cv4 h LYS 86 Cb 0.63 -0.21 -0.03 0.00 0.08 0.00 0.00 32.23 32.70 2cv4 h LYS 86 CO 0.03 0.86 0.24 1.49 -0.57 0.00 0.00 179.45 181.50 2cv4 h GLU 87 N 1.13 0.87 -0.54 3.15 4.81 -0.77 -1.71 114.58 121.52 2cv4 h GLU 87 Ca 0.28 -0.15 -0.02 0.00 -0.13 0.00 0.00 59.36 59.34 2cv4 h GLU 87 Cb 0.09 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.30 2cv4 h GLU 87 CO -0.04 0.74 0.27 2.35 -0.73 0.00 0.00 179.01 181.60 2cv4 h TRP 88 N 0.81 0.77 -0.81 0.92 7.01 -0.76 -0.56 115.95 123.33 2cv4 h TRP 88 Ca 0.20 -0.03 -0.03 0.00 2.11 0.00 0.00 58.89 61.13 2cv4 h TRP 88 Cb 0.19 -0.24 -0.04 0.00 -2.10 0.00 0.00 29.16 26.97 2cv4 h TRP 88 CO 0.01 0.59 0.39 0.82 -2.79 0.00 0.00 178.44 177.45 2cv4 h ILE 89 N 0.73 1.25 -0.61 2.65 2.04 -1.10 0.26 117.51 122.73 2cv4 h ILE 89 Ca 0.19 -0.71 -0.08 0.00 1.00 0.00 0.00 64.86 65.26 2cv4 h ILE 89 Cb 0.10 0.23 -0.02 0.00 -0.74 0.00 0.00 36.82 36.38 2cv4 h ILE 89 CO -0.03 0.30 0.08 -0.08 0.00 0.00 0.00 178.15 178.43 2cv4 h GLU 90 N 1.15 1.03 0.09 2.37 4.81 -0.91 -0.21 114.58 122.91 2cv4 h GLU 90 Ca 0.28 -0.29 -0.26 0.00 -0.13 0.00 0.00 59.36 58.96 2cv4 h GLU 90 Cb 0.12 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.38 2cv4 h GLU 90 CO -0.03 0.97 -1.18 -0.09 -0.73 0.00 0.00 179.01 177.94 2cv4 h ARG 91 N 0.93 0.19 0.01 1.92 2.43 -0.77 -2.47 114.38 116.63 2cv4 h ARG 91 Ca 0.18 -0.33 -0.34 0.00 -0.81 0.00 0.00 59.98 58.68 2cv4 h ARG 91 Cb 0.46 0.12 -0.06 0.00 -0.42 0.00 0.00 29.97 30.07 2cv4 h ARG 91 CO 0.02 1.16 -2.05 0.72 -1.51 0.00 0.00 179.97 178.30 2cv4 n HIS 92 N -3.48 0.59 0.65 2.20 8.25 0.90 -4.34 115.22 119.99 2cv4 n HIS 92 Ca -0.06 0.19 0.07 0.00 -0.26 0.00 0.00 57.72 57.66 2cv4 n HIS 92 Cb 1.00 -1.10 -0.01 0.00 1.12 0.00 0.00 29.99 31.00 2cv4 n HIS 92 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 2cv4 n ILE 93 N -3.01 0.00 -1.33 1.59 5.41 -0.12 -4.99 119.36 116.91 2cv4 n ILE 93 Ca -0.27 -0.32 -0.11 0.00 1.00 0.00 0.00 62.75 63.04 2cv4 n ILE 93 Cb 1.08 1.15 -0.05 0.00 -0.71 0.00 0.00 39.64 41.11 2cv4 n ILE 93 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2cv4 n GLY 94 N 1.12 1.24 3.18 7.39 0.00 -0.93 -4.99 105.19 112.21 2cv4 n GLY 94 Ca 0.06 -0.35 -0.28 0.00 0.00 0.00 0.00 46.02 45.44 2cv4 n GLY 94 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2cv4 s VAL 95 N -2.34 1.69 -0.13 1.61 0.11 -1.23 -4.97 120.40 115.14 2cv4 s VAL 95 Ca 0.00 -0.85 -0.16 0.00 -2.93 0.00 0.00 61.98 58.04 2cv4 s VAL 95 Cb 0.00 -1.45 -0.05 0.00 -1.53 0.00 0.00 36.38 33.36 2cv4 s VAL 95 CO 0.00 0.48 0.38 -0.60 -3.33 0.00 0.00 175.10 172.03 2cv4 s ARG 96 N 0.04 4.26 -0.35 1.54 3.52 -1.26 -3.16 118.95 123.53 2cv4 s ARG 96 Ca -0.06 0.27 -0.24 0.00 -0.13 0.00 0.00 55.73 55.58 2cv4 s ARG 96 Cb -0.13 -3.41 0.01 0.00 -1.56 0.00 0.00 34.95 29.86 2cv4 s ARG 96 CO 0.03 0.25 0.81 0.42 -0.81 0.00 0.00 175.30 176.00 2cv4 s ILE 97 N 0.40 4.72 -0.65 4.11 1.09 -1.26 -4.92 121.20 124.69 2cv4 s ILE 97 Ca 0.21 1.02 0.24 0.00 -1.10 0.00 0.00 60.65 61.03 2cv4 s ILE 97 Cb -0.14 -4.22 0.05 0.00 -1.06 0.00 0.00 42.46 37.09 2cv4 s ILE 97 CO 0.07 -0.41 1.33 -0.81 -0.10 0.00 0.00 174.94 175.03 2cv4 n PRO 98 N 6.43 0.29 -2.89 2.79 -0.04 -1.26 -4.93 135.00 135.39 2cv4 n PRO 98 Ca 0.04 0.09 -0.23 0.00 -0.04 0.00 0.00 63.50 63.36 2cv4 n PRO 98 Cb 0.48 -1.69 0.02 0.00 -0.04 0.00 0.00 33.50 32.27 2cv4 n PRO 98 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 2cv4 s PHE 99 N -3.16 3.14 0.65 0.54 -0.71 -1.26 -5.08 117.98 112.09 2cv4 s PHE 99 Ca 0.06 0.18 -0.08 0.00 -1.04 0.00 0.00 56.93 56.05 2cv4 s PHE 99 Cb 0.13 -2.42 0.02 0.00 -1.21 0.00 0.00 43.02 39.54 2cv4 s PHE 99 CO 0.72 -0.49 1.00 -1.25 -1.34 0.00 0.00 175.22 173.85 2cv4 s PRO 100 N -4.61 2.82 -0.07 1.99 0.04 -1.26 -4.92 135.00 128.99 2cv4 s PRO 100 Ca 0.51 0.17 0.02 0.00 0.04 0.00 0.00 61.00 61.73 2cv4 s PRO 100 Cb -0.10 -2.16 0.02 0.00 0.04 0.00 0.00 34.50 32.30 2cv4 s PRO 100 CO 0.38 -0.90 -0.10 0.42 0.04 0.00 0.00 177.00 176.85 2cv4 s ILE 101 N -3.17 0.97 0.15 0.56 1.01 -1.26 -1.18 121.20 118.28 2cv4 s ILE 101 Ca 0.56 -0.36 -0.30 0.00 0.00 0.00 0.00 60.65 60.55 2cv4 s ILE 101 Cb -0.11 -0.92 -0.08 0.00 0.01 0.00 0.00 42.46 41.36 2cv4 s ILE 101 CO 0.48 0.33 1.25 -0.63 0.00 0.00 0.00 174.94 176.37 2cv4 s ILE 102 N 0.89 3.54 -0.28 2.92 1.01 0.29 -2.16 121.20 127.40 2cv4 s ILE 102 Ca -0.11 1.21 -0.12 0.00 0.00 0.00 0.00 60.65 61.63 2cv4 s ILE 102 Cb -0.15 -3.78 -0.04 0.00 0.01 0.00 0.00 42.46 38.50 2cv4 s ILE 102 CO 0.01 0.15 0.24 0.00 0.00 0.00 0.00 174.94 175.35 2cv4 s ALA 103 N 0.39 3.54 -0.47 9.38 0.00 -0.01 -2.03 121.76 132.55 2cv4 s ALA 103 Ca 0.57 -1.04 0.08 0.00 0.00 0.00 0.00 51.96 51.57 2cv4 s ALA 103 Cb -0.34 -2.56 0.32 0.00 0.00 0.00 0.00 23.12 20.55 2cv4 s ALA 103 CO 0.34 -0.61 0.77 -3.47 0.00 0.00 0.00 175.76 172.79 2cv4 n ASP 104 N 5.14 2.26 0.29 0.00 2.03 -0.71 -4.56 116.55 121.00 2cv4 n ASP 104 Ca -0.12 -3.23 0.15 0.00 0.52 0.00 0.00 54.79 52.11 2cv4 n ASP 104 Cb 0.51 -0.61 0.74 0.00 -0.72 0.00 0.00 41.12 41.04 2cv4 n ASP 104 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 2cv4 h PRO 105 N 3.29 0.00 -0.02 -0.67 0.11 -1.63 -2.31 132.00 130.78 2cv4 h PRO 105 Ca 0.12 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.23 2cv4 h PRO 105 Cb 0.77 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.88 2cv4 h PRO 105 CO 0.64 0.00 0.00 1.04 -0.21 0.00 0.00 178.00 179.47 2cv4 n GLN 106 N -2.99 0.00 -0.98 1.05 1.13 -1.26 -4.96 117.38 109.37 2cv4 n GLN 106 Ca -0.00 -0.91 0.00 0.00 -1.94 0.00 0.00 57.00 54.15 2cv4 n GLN 106 Cb 0.48 -1.12 0.00 0.00 0.11 0.00 0.00 30.24 29.71 2cv4 n GLN 106 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2cv4 n GLY 107 N 0.34 0.86 0.32 1.08 0.00 -0.87 -4.93 105.19 102.00 2cv4 n GLY 107 Ca 0.04 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.93 2cv4 n GLY 107 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2cv4 h THR 108 N 0.00 0.34 -0.21 2.61 2.02 -1.93 1.02 112.91 116.75 2cv4 h THR 108 Ca 0.00 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 2cv4 h THR 108 Cb 0.00 0.34 -0.01 0.00 -1.74 0.00 0.00 68.15 66.74 2cv4 h THR 108 CO 0.00 0.00 0.10 0.58 0.37 0.00 0.00 175.52 176.57 2cv4 h VAL 109 N -0.49 1.14 -0.53 3.16 2.07 -1.91 0.23 116.25 119.92 2cv4 h VAL 109 Ca 0.05 -0.41 0.07 0.00 0.82 0.00 0.00 66.70 67.22 2cv4 h VAL 109 Cb 0.54 1.02 -0.06 0.00 -1.52 0.00 0.00 31.29 31.28 2cv4 h VAL 109 CO -0.21 0.14 0.23 0.00 0.02 0.00 0.00 177.57 177.74 2cv4 h ALA 110 N 0.96 0.68 0.02 1.67 0.00 -1.83 0.09 119.26 120.84 2cv4 h ALA 110 Ca 0.07 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 2cv4 h ALA 110 Cb 0.13 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2cv4 h ALA 110 CO -0.01 -0.16 -0.01 0.00 0.00 0.00 0.00 179.25 179.08 2cv4 h ARG 111 N 0.43 -0.03 -0.22 0.00 3.08 0.15 0.64 114.38 118.44 2cv4 h ARG 111 Ca 0.25 0.00 0.06 0.00 0.07 0.00 0.00 59.98 60.37 2cv4 h ARG 111 Cb 0.24 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.28 2cv4 h ARG 111 CO -0.22 0.22 0.19 -0.09 -1.07 0.00 0.00 179.97 179.00 2cv4 h ARG 112 N -0.27 0.00 -0.57 0.04 9.65 -0.08 0.31 114.38 123.46 2cv4 h ARG 112 Ca -0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 2cv4 h ARG 112 Cb 0.26 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.84 2cv4 h ARG 112 CO 0.00 0.00 0.00 1.28 2.80 0.00 0.00 179.97 184.05 2cv4 n LEU 113 N -4.11 3.64 -2.23 3.80 4.77 -0.02 -4.81 117.00 118.04 2cv4 n LEU 113 Ca 0.02 -1.72 -0.19 0.00 -0.03 0.00 0.00 56.01 54.09 2cv4 n LEU 113 Cb 0.33 -0.38 -0.01 0.00 -2.33 0.00 0.00 43.42 41.03 2cv4 n LEU 113 CO 0.31 0.86 -0.23 0.61 -1.33 0.00 0.00 177.39 177.61 2cv4 n GLY 114 N 1.58 -0.43 0.72 -0.72 0.00 0.11 -4.40 105.19 102.06 2cv4 n GLY 114 Ca 0.22 -0.07 0.06 0.00 0.00 0.00 0.00 46.02 46.23 2cv4 n GLY 114 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2cv4 n LEU 115 N -2.81 2.08 -4.27 0.99 4.77 0.21 -4.65 117.00 113.32 2cv4 n LEU 115 Ca -0.22 -1.04 -0.44 0.00 -0.03 0.00 0.00 56.01 54.28 2cv4 n LEU 115 Cb 0.67 -0.28 -0.03 0.00 -2.33 0.00 0.00 43.42 41.45 2cv4 n LEU 115 CO 0.27 0.48 0.44 -0.22 -1.33 0.00 0.00 177.39 177.03 2cv4 s LEU 116 N -1.04 6.29 0.00 2.23 2.96 -1.25 -1.52 118.68 126.36 2cv4 s LEU 116 Ca 0.25 -3.04 -0.04 0.00 -0.22 0.00 0.00 54.13 51.07 2cv4 s LEU 116 Cb 0.13 -2.12 0.06 0.00 0.50 0.00 0.00 46.19 44.77 2cv4 s LEU 116 CO 0.16 -0.43 0.38 1.41 -1.32 0.00 0.00 176.35 176.55 2cv4 n HIS 117 N 3.42 -3.86 -1.26 5.38 8.25 -1.26 -5.01 115.22 120.88 2cv4 n HIS 117 Ca 0.16 -0.39 -0.18 0.00 -0.26 0.00 0.00 57.72 57.05 2cv4 n HIS 117 Cb 0.43 -0.29 0.20 0.00 1.12 0.00 0.00 29.99 31.44 2cv4 n HIS 117 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2cv4 n ALA 118 N -3.21 5.22 0.58 -1.41 0.00 -1.26 -4.15 120.51 116.28 2cv4 n ALA 118 Ca -0.06 -2.90 0.10 0.00 0.00 0.00 0.00 53.44 50.58 2cv4 n ALA 118 Cb 0.18 -1.27 0.13 0.00 0.00 0.00 0.00 19.45 18.48 2cv4 n ALA 118 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2cv4 n GLU 119 N -1.05 2.04 0.00 0.00 2.13 -1.26 -4.86 120.64 117.64 2cv4 n GLU 119 Ca 0.52 -1.89 0.00 0.00 0.66 0.00 0.00 57.16 56.45 2cv4 n GLU 119 Cb 1.51 -1.41 0.00 0.00 0.27 0.00 0.00 31.44 31.81 2cv4 n GLU 119 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 2cv4 n SER 120 N 1.19 0.00 -1.61 4.31 7.64 -1.26 -4.98 113.62 118.92 2cv4 n SER 120 Ca 0.14 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.02 2cv4 n SER 120 Cb 0.52 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.72 2cv4 n SER 120 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2cv4 n ALA 121 N 0.00 2.92 -3.62 -0.43 0.00 -1.26 -4.61 120.51 113.50 2cv4 n ALA 121 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.41 2cv4 n ALA 121 Cb 0.00 -1.34 -0.03 0.00 0.00 0.00 0.00 19.45 18.09 2cv4 n ALA 121 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2cv4 s THR 122 N 0.73 0.00 -0.19 0.00 -4.23 -1.26 -5.07 115.64 105.62 2cv4 s THR 122 Ca 0.00 0.00 -0.09 0.00 -1.18 0.00 0.00 61.69 60.42 2cv4 s THR 122 Cb 0.00 -1.00 0.04 0.00 1.34 0.00 0.00 72.50 72.88 2cv4 s THR 122 CO 0.00 0.00 0.19 1.41 -0.54 0.00 0.00 174.62 175.68 2cv4 n HIS 123 N 0.11 -3.94 -0.95 3.99 -0.00 -1.26 -4.88 115.22 108.28 2cv4 n HIS 123 Ca 0.02 2.21 -0.36 0.00 -0.00 0.00 0.00 57.72 59.59 2cv4 n HIS 123 Cb 0.58 -3.69 0.06 0.00 -0.00 0.00 0.00 29.99 26.94 2cv4 n HIS 123 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.34 178.75 2cv4 n THR 124 N 1.35 0.00 -1.38 1.59 -1.04 -1.26 -4.68 114.28 108.86 2cv4 n THR 124 Ca -0.31 -0.38 -0.30 0.00 -2.04 0.00 0.00 64.05 61.02 2cv4 n THR 124 Cb 0.49 -0.12 0.12 0.00 -1.82 0.00 0.00 70.33 68.99 2cv4 n THR 124 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2cv4 s VAL 125 N -2.07 2.79 -1.50 12.58 1.01 -0.57 -3.10 120.40 129.52 2cv4 s VAL 125 Ca 0.43 0.26 -0.12 0.00 0.00 0.00 0.00 61.98 62.54 2cv4 s VAL 125 Cb -0.15 -2.88 0.01 0.00 0.00 0.00 0.00 36.38 33.37 2cv4 s VAL 125 CO 0.78 -0.33 2.45 0.54 0.00 0.00 0.00 175.10 178.53 2cv4 n ARG 126 N -3.68 3.21 -3.67 2.72 1.74 -1.25 -4.11 116.66 111.63 2cv4 n ARG 126 Ca 0.07 -2.54 -0.36 0.00 -0.77 0.00 0.00 57.85 54.24 2cv4 n ARG 126 Cb 0.56 -3.10 -0.06 0.00 -1.02 0.00 0.00 32.46 28.85 2cv4 n ARG 126 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 2cv4 s GLY 127 N 2.67 2.32 -0.06 -0.13 0.00 -1.25 -2.34 107.32 108.55 2cv4 s GLY 127 Ca 0.54 -0.44 0.03 0.00 0.00 0.00 0.00 44.72 44.85 2cv4 s GLY 127 CO -0.08 -0.17 -0.14 0.14 0.00 0.00 0.00 173.10 172.86 2cv4 s VAL 128 N -1.19 1.23 -0.10 1.40 1.01 -0.10 -1.02 120.40 121.62 2cv4 s VAL 128 Ca 0.25 -0.56 0.03 0.00 0.00 0.00 0.00 61.98 61.70 2cv4 s VAL 128 Cb -0.14 -1.09 0.00 0.00 0.00 0.00 0.00 36.38 35.15 2cv4 s VAL 128 CO 0.13 0.37 -0.22 -0.36 0.00 0.00 0.00 175.10 175.02 2cv4 s PHE 129 N 0.43 2.42 -0.31 5.22 0.40 0.74 -1.31 117.98 125.57 2cv4 s PHE 129 Ca -0.11 -1.04 -0.06 0.00 -0.60 0.00 0.00 56.93 55.11 2cv4 s PHE 129 Cb -0.14 -1.64 0.02 0.00 0.51 0.00 0.00 43.02 41.77 2cv4 s PHE 129 CO 0.03 -0.45 0.09 0.42 0.70 0.00 0.00 175.22 176.01 2cv4 s ILE 130 N 0.52 3.83 -0.13 0.64 1.01 -0.26 -0.50 121.20 126.31 2cv4 s ILE 130 Ca -0.15 -0.92 -0.00 0.00 0.00 0.00 0.00 60.65 59.58 2cv4 s ILE 130 Cb -0.17 -3.07 -0.01 0.00 0.01 0.00 0.00 42.46 39.22 2cv4 s ILE 130 CO 0.06 -0.04 -0.13 -0.69 0.00 0.00 0.00 174.94 174.13 2cv4 s VAL 131 N 1.45 2.99 0.92 2.92 1.01 -0.65 0.10 120.40 129.13 2cv4 s VAL 131 Ca 0.00 -0.68 -0.12 0.00 0.00 0.00 0.00 61.98 61.19 2cv4 s VAL 131 Cb -0.18 -2.26 0.20 0.00 0.00 0.00 0.00 36.38 34.15 2cv4 s VAL 131 CO 0.02 0.52 1.25 1.51 0.00 0.00 0.00 175.10 178.41 2cv4 s ASP 132 N 0.43 3.22 0.14 3.32 1.47 0.07 -1.32 116.67 124.00 2cv4 s ASP 132 Ca -0.10 -0.06 0.14 0.00 1.18 0.00 0.00 52.55 53.71 2cv4 s ASP 132 Cb -0.16 0.02 0.65 0.00 -0.34 0.00 0.00 42.92 43.09 2cv4 s ASP 132 CO 0.05 -2.64 1.43 0.00 0.68 0.00 0.00 175.17 174.69 2cv4 n ALA 133 N -3.57 1.30 -1.19 2.11 0.00 -1.26 -0.71 120.51 117.21 2cv4 n ALA 133 Ca 0.17 0.06 -0.06 0.00 0.00 0.00 0.00 53.44 53.60 2cv4 n ALA 133 Cb 0.60 -1.22 0.25 0.00 0.00 0.00 0.00 19.45 19.07 2cv4 n ALA 133 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 2cv4 n ARG 134 N -1.85 2.78 -1.09 0.00 1.85 -1.26 -4.58 116.66 112.51 2cv4 n ARG 134 Ca 0.01 -3.06 -0.03 0.00 -1.00 0.00 0.00 57.85 53.77 2cv4 n ARG 134 Cb 0.10 -2.04 -0.01 0.00 -1.05 0.00 0.00 32.46 29.46 2cv4 n ARG 134 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2cv4 n GLY 135 N -0.68 0.54 3.76 2.89 0.00 0.11 -4.96 105.19 106.86 2cv4 n GLY 135 Ca 0.39 -0.17 -0.37 0.00 0.00 0.00 0.00 46.02 45.87 2cv4 n GLY 135 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2cv4 s VAL 136 N -1.77 5.24 -0.01 1.61 1.01 -1.26 -0.38 120.40 124.84 2cv4 s VAL 136 Ca 0.00 0.65 -0.30 0.00 0.00 0.00 0.00 61.98 62.33 2cv4 s VAL 136 Cb 0.00 -3.66 -0.06 0.00 0.00 0.00 0.00 36.38 32.66 2cv4 s VAL 136 CO 0.00 0.44 1.45 -0.63 0.00 0.00 0.00 175.10 176.36 2cv4 s ILE 137 N 0.05 3.65 -0.08 2.22 1.01 -0.88 -0.75 121.20 126.42 2cv4 s ILE 137 Ca 0.19 1.01 0.07 0.00 0.00 0.00 0.00 60.65 61.93 2cv4 s ILE 137 Cb -0.14 -3.65 -0.11 0.00 0.01 0.00 0.00 42.46 38.58 2cv4 s ILE 137 CO 0.07 -0.02 0.19 0.54 0.00 0.00 0.00 174.94 175.72 2cv4 n ARG 138 N 5.67 1.15 -2.85 2.79 5.12 0.29 -1.49 116.66 127.33 2cv4 n ARG 138 Ca 0.14 -0.05 -0.05 0.00 -1.93 0.00 0.00 57.85 55.96 2cv4 n ARG 138 Cb 0.43 -1.10 0.02 0.00 -1.16 0.00 0.00 32.46 30.65 2cv4 n ARG 138 CO 0.00 0.00 0.00 2.41 -1.93 0.00 0.00 177.63 178.11 2cv4 n THR 139 N -1.63 0.00 -3.64 0.55 -1.04 -1.17 -4.91 114.28 102.44 2cv4 n THR 139 Ca -0.01 -0.55 -0.07 0.00 -2.04 0.00 0.00 64.05 61.38 2cv4 n THR 139 Cb 0.17 0.60 -0.07 0.00 -1.82 0.00 0.00 70.33 69.21 2cv4 n THR 139 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 2cv4 s LEU 141 N 0.00 -0.31 -0.39 -4.42 1.43 -0.42 -1.10 118.68 113.47 2cv4 s LEU 141 Ca 0.12 0.60 0.01 0.00 -1.03 0.00 0.00 54.13 53.83 2cv4 s LEU 141 Cb -0.03 1.61 0.12 0.00 0.03 0.00 0.00 46.19 47.92 2cv4 s LEU 141 CO 0.06 -0.10 0.18 -0.31 0.23 0.00 0.00 176.35 176.41 2cv4 s TYR 142 N 0.16 1.96 0.53 0.29 2.02 -1.26 -0.92 117.35 120.13 2cv4 s TYR 142 Ca 0.05 -2.21 -0.06 0.00 -0.37 0.00 0.00 57.07 54.48 2cv4 s TYR 142 Cb -0.05 -1.87 -0.02 0.00 -0.40 0.00 0.00 41.96 39.62 2cv4 s TYR 142 CO -0.10 -0.83 0.84 0.71 -1.57 0.00 0.00 175.55 174.61 2cv4 s TYR 143 N 0.83 3.46 0.00 2.71 4.12 -0.99 -5.01 117.35 122.47 2cv4 s TYR 143 Ca 0.15 0.78 0.00 0.00 0.02 0.00 0.00 57.07 58.01 2cv4 s TYR 143 Cb -0.22 -2.48 0.00 0.00 -1.52 0.00 0.00 41.96 37.74 2cv4 s TYR 143 CO -0.09 -0.50 0.00 -0.35 0.02 0.00 0.00 175.55 174.64 2cv4 n PRO 144 N -2.41 0.00 0.00 -1.71 -0.04 -1.26 -3.90 135.00 125.68 2cv4 n PRO 144 Ca 0.02 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.48 2cv4 n PRO 144 Cb 0.56 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.02 2cv4 n PRO 144 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2cv4 n GLU 146 N 0.00 0.00 -3.82 0.54 0.00 -1.26 -4.64 120.64 111.47 2cv4 n GLU 146 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 57.16 56.88 2cv4 n GLU 146 Cb 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 31.44 31.28 2cv4 n GLU 146 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.13 175.96 2cv4 s LEU 147 N 0.00 1.61 0.49 -1.84 1.98 -1.26 -5.09 118.68 114.56 2cv4 s LEU 147 Ca 0.00 -0.87 -0.23 0.00 -2.89 0.00 0.00 54.13 50.15 2cv4 s LEU 147 Cb 0.00 -0.80 -0.07 0.00 0.66 0.00 0.00 46.19 45.99 2cv4 s LEU 147 CO 0.00 -0.26 1.26 -0.83 -1.89 0.00 0.00 176.35 174.62 2cv4 s GLY 148 N 1.70 2.84 0.97 7.98 0.00 -1.26 -4.91 107.32 114.64 2cv4 s GLY 148 Ca -0.02 1.12 -0.12 0.00 0.00 0.00 0.00 44.72 45.71 2cv4 s GLY 148 CO -0.07 1.62 1.09 0.50 0.00 0.00 0.00 173.10 176.23 2cv4 s ARG 149 N -2.73 0.66 -0.63 2.90 0.52 -1.26 -5.01 118.95 113.40 2cv4 s ARG 149 Ca 0.66 0.79 -0.07 0.00 -0.52 0.00 0.00 55.73 56.59 2cv4 s ARG 149 Cb -0.34 -1.74 0.16 0.00 0.52 0.00 0.00 34.95 33.55 2cv4 s ARG 149 CO 0.41 -2.64 0.49 -1.17 0.02 0.00 0.00 175.30 172.41 2cv4 s LEU 150 N -6.47 5.73 0.33 2.53 2.96 -1.26 -4.98 118.68 117.51 2cv4 s LEU 150 Ca 0.65 -2.55 0.05 0.00 -0.22 0.00 0.00 54.13 52.06 2cv4 s LEU 150 Cb -0.20 -1.98 0.70 0.00 0.50 0.00 0.00 46.19 45.21 2cv4 s LEU 150 CO 0.58 -0.51 1.87 0.58 -1.32 0.00 0.00 176.35 177.56 2cv4 h VAL 151 N 5.41 0.91 -0.14 1.68 2.07 -1.95 -1.34 116.25 122.88 2cv4 h VAL 151 Ca -0.04 -0.29 0.04 0.00 0.82 0.00 0.00 66.70 67.24 2cv4 h VAL 151 Cb 1.01 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 2cv4 h VAL 151 CO 0.76 0.15 0.11 0.44 0.02 0.00 0.00 177.57 179.05 2cv4 h ASP 152 N 0.83 0.00 -0.36 0.57 3.32 -1.94 -0.95 116.42 117.90 2cv4 h ASP 152 Ca 0.44 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 57.38 2cv4 h ASP 152 Cb 0.54 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.08 2cv4 h ASP 152 CO -0.21 0.00 -0.17 -0.08 -1.72 0.00 0.00 179.24 177.06 2cv4 h GLU 153 N 0.00 0.83 -0.95 3.56 4.57 -1.59 -1.64 114.58 119.36 2cv4 h GLU 153 Ca 0.07 -0.31 -0.00 0.00 -1.18 0.00 0.00 59.36 57.93 2cv4 h GLU 153 Cb 0.28 -0.05 -0.05 0.00 -0.16 0.00 0.00 28.75 28.77 2cv4 h GLU 153 CO -0.00 0.94 0.58 0.82 -1.18 0.00 0.00 179.01 180.17 2cv4 h ILE 154 N 0.73 1.26 -0.62 2.32 2.04 -1.22 0.17 117.51 122.19 2cv4 h ILE 154 Ca 0.11 -0.56 -0.09 0.00 1.00 0.00 0.00 64.86 65.32 2cv4 h ILE 154 Cb 0.69 -0.09 -0.02 0.00 -0.74 0.00 0.00 36.82 36.66 2cv4 h ILE 154 CO 0.05 0.27 0.02 -0.07 0.00 0.00 0.00 178.15 178.43 2cv4 h LEU 155 N 1.31 1.05 -0.63 1.44 3.38 -1.26 -2.01 115.31 118.59 2cv4 h LEU 155 Ca 0.34 -0.29 -0.05 0.00 0.09 0.00 0.00 57.88 57.98 2cv4 h LEU 155 Cb -0.06 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.38 2cv4 h LEU 155 CO -0.06 1.08 0.19 -0.09 0.09 0.00 0.00 178.44 179.65 2cv4 h ARG 156 N 0.98 0.97 0.09 1.13 2.43 -0.53 -0.58 114.38 118.88 2cv4 h ARG 156 Ca 0.18 -0.21 -0.00 0.00 -0.81 0.00 0.00 59.98 59.13 2cv4 h ARG 156 Cb 0.53 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.94 2cv4 h ARG 156 CO 0.03 0.86 -0.04 0.82 -1.51 0.00 0.00 179.97 180.12 2cv4 h ILE 157 N 0.90 0.96 -0.66 1.20 2.04 -0.43 -0.51 117.51 121.02 2cv4 h ILE 157 Ca 0.20 -0.20 -0.02 0.00 1.00 0.00 0.00 64.86 65.85 2cv4 h ILE 157 Cb 0.29 1.09 -0.03 0.00 -0.74 0.00 0.00 36.82 37.43 2cv4 h ILE 157 CO -0.01 0.05 0.35 0.58 0.00 0.00 0.00 178.15 179.12 2cv4 h VAL 158 N -0.21 1.21 0.25 1.67 2.07 -1.28 0.15 116.25 120.10 2cv4 h VAL 158 Ca -0.01 -0.56 -0.01 0.00 0.82 0.00 0.00 66.70 66.93 2cv4 h VAL 158 Cb 0.18 0.37 0.00 0.00 -1.52 0.00 0.00 31.29 30.32 2cv4 h VAL 158 CO 0.02 0.24 -0.12 0.50 0.02 0.00 0.00 177.57 178.23 2cv4 h LYS 159 N 0.91 -0.32 -0.69 1.57 1.63 -0.94 -0.96 116.57 117.76 2cv4 h LYS 159 Ca 0.23 0.02 0.05 0.00 -0.85 0.00 0.00 60.65 60.10 2cv4 h LYS 159 Cb 0.07 0.07 -0.05 0.00 -0.60 0.00 0.00 32.23 31.72 2cv4 h LYS 159 CO -0.03 -0.17 0.41 0.00 -3.45 0.00 0.00 179.45 176.21 2cv4 h ALA 160 N 0.37 0.92 -0.52 5.00 0.00 -0.91 -0.98 119.26 123.14 2cv4 h ALA 160 Ca -0.03 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 2cv4 h ALA 160 Cb 0.29 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 2cv4 h ALA 160 CO 0.06 0.14 0.07 1.25 0.00 0.00 0.00 179.25 180.76 2cv4 h LEU 161 N 0.78 0.84 -0.66 0.00 5.85 -0.84 0.42 115.31 121.70 2cv4 h LEU 161 Ca 0.30 -0.27 -0.10 0.00 0.84 0.00 0.00 57.88 58.64 2cv4 h LEU 161 Cb 0.11 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.90 2cv4 h LEU 161 CO -0.15 0.90 -0.06 0.11 -0.34 0.00 0.00 178.44 178.90 2cv4 h LYS 162 N 0.75 0.98 -0.25 1.25 1.57 -0.80 0.02 116.57 120.09 2cv4 h LYS 162 Ca 0.16 -0.33 -0.01 0.00 -1.87 0.00 0.00 60.65 58.60 2cv4 h LYS 162 Cb 0.43 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.65 2cv4 h LYS 162 CO 0.01 1.00 0.13 -0.07 -0.57 0.00 0.00 179.45 179.95 2cv4 h LEU 163 N 0.89 0.32 -0.19 2.94 3.38 -0.71 -1.36 115.31 120.58 2cv4 h LEU 163 Ca 0.15 -0.10 0.04 0.00 0.09 0.00 0.00 57.88 58.05 2cv4 h LEU 163 Cb 0.60 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.23 2cv4 h LEU 163 CO 0.04 0.33 -0.04 1.23 0.09 0.00 0.00 178.44 180.09 2cv4 h GLY 164 N 0.29 0.14 0.64 0.83 0.00 0.10 -1.29 103.07 103.78 2cv4 h GLY 164 Ca 0.09 0.06 0.02 0.00 0.00 0.00 0.00 47.33 47.49 2cv4 h GLY 164 CO -0.01 -0.07 -0.17 -0.55 0.00 0.00 0.00 176.54 175.75 2cv4 h ASP 165 N 0.01 -0.47 0.29 0.19 3.32 -0.76 0.86 116.42 119.85 2cv4 h ASP 165 Ca 0.09 0.06 -0.13 0.00 0.02 0.00 0.00 57.03 57.08 2cv4 h ASP 165 Cb 0.13 0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.86 2cv4 h ASP 165 CO -0.19 -0.23 -0.50 0.77 -1.72 0.00 0.00 179.24 177.37 2cv4 h SER 166 N -0.29 0.27 0.03 6.45 4.64 -1.14 -3.10 113.55 120.41 2cv4 h SER 166 Ca 0.04 -0.13 0.00 0.00 -0.47 0.00 0.00 61.79 61.23 2cv4 h SER 166 Cb 0.34 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 2cv4 h SER 166 CO -0.13 0.73 -0.19 0.18 -0.87 0.00 0.00 176.83 176.54 2cv4 n LEU 167 N -3.95 2.01 -3.59 5.97 4.77 -0.50 -4.98 117.00 116.73 2cv4 n LEU 167 Ca -0.02 -0.68 -0.27 0.00 -0.03 0.00 0.00 56.01 55.01 2cv4 n LEU 167 Cb 0.55 -0.02 0.05 0.00 -2.33 0.00 0.00 43.42 41.66 2cv4 n LEU 167 CO 0.43 0.35 -0.05 0.29 -1.33 0.00 0.00 177.39 177.08 2cv4 n LYS 168 N 0.30 -1.62 -4.02 3.23 5.02 0.21 -5.03 118.16 116.26 2cv4 n LYS 168 Ca 0.13 0.55 -0.09 0.00 -2.02 0.00 0.00 58.31 56.89 2cv4 n LYS 168 Cb 0.46 -4.55 -0.11 0.00 -0.02 0.00 0.00 35.03 30.81 2cv4 n LYS 168 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2cv4 s ARG 169 N -5.63 0.41 0.32 1.97 1.81 -0.69 -4.58 118.95 112.57 2cv4 s ARG 169 Ca 0.45 -0.78 -0.03 0.00 -1.72 0.00 0.00 55.73 53.65 2cv4 s ARG 169 Cb -0.14 0.08 -0.04 0.00 -0.45 0.00 0.00 34.95 34.40 2cv4 s ARG 169 CO 0.83 -0.05 0.56 0.00 -0.68 0.00 0.00 175.30 175.96 2cv4 s ALA 170 N -2.03 3.64 -0.24 2.13 0.00 0.20 -4.39 121.76 121.06 2cv4 s ALA 170 Ca -0.10 -0.68 -0.07 0.00 0.00 0.00 0.00 51.96 51.12 2cv4 s ALA 170 Cb -0.06 -2.25 -0.03 0.00 0.00 0.00 0.00 23.12 20.79 2cv4 s ALA 170 CO -0.03 0.12 0.05 0.08 0.00 0.00 0.00 175.76 175.98 2cv4 s VAL 171 N -2.20 4.15 0.94 0.00 1.01 -1.26 -0.62 120.40 122.42 2cv4 s VAL 171 Ca 0.43 -0.23 -0.11 0.00 0.00 0.00 0.00 61.98 62.07 2cv4 s VAL 171 Cb -0.10 -2.93 0.16 0.00 0.00 0.00 0.00 36.38 33.51 2cv4 s VAL 171 CO 0.33 0.36 1.10 -2.16 0.00 0.00 0.00 175.10 174.73 2cv4 s PRO 172 N 1.53 0.83 0.42 2.72 0.04 -1.26 -4.94 135.00 134.35 2cv4 s PRO 172 Ca 0.06 1.15 -0.26 0.00 0.04 0.00 0.00 61.00 61.99 2cv4 s PRO 172 Cb -0.15 -1.73 -0.09 0.00 0.04 0.00 0.00 34.50 32.57 2cv4 s PRO 172 CO 0.02 -2.63 1.41 0.00 0.04 0.00 0.00 177.00 175.85 2cv4 s ALA 173 N -2.72 3.34 -1.79 8.56 0.00 -1.26 -2.72 121.76 125.18 2cv4 s ALA 173 Ca 0.65 1.44 0.00 0.00 0.00 0.00 0.00 51.96 54.05 2cv4 s ALA 173 Cb -0.21 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 19.34 2cv4 s ALA 173 CO 0.59 -1.06 0.00 -0.25 0.00 0.00 0.00 175.76 175.04 2cv4 n ASP 174 N 0.09 -5.11 -4.77 0.00 8.00 -1.26 -4.07 116.55 109.44 2cv4 n ASP 174 Ca 0.03 0.35 -0.39 0.00 0.71 0.00 0.00 54.79 55.49 2cv4 n ASP 174 Cb 0.41 -4.15 0.01 0.00 -0.02 0.00 0.00 41.12 37.37 2cv4 n ASP 174 CO 0.00 0.00 0.00 0.86 -0.39 0.00 0.00 177.20 177.67 2cv4 s TRP 175 N -2.69 2.68 -0.99 1.24 -0.00 -1.10 0.25 118.94 118.33 2cv4 s TRP 175 Ca 0.00 1.39 0.00 0.00 -0.00 0.00 0.00 56.10 57.49 2cv4 s TRP 175 Cb 0.00 -3.71 0.02 0.00 -0.00 0.00 0.00 33.47 29.78 2cv4 s TRP 175 CO 0.00 -2.31 0.53 -0.35 -0.00 0.00 0.00 176.95 174.81 2cv4 n PRO 176 N -0.14 1.08 -2.14 5.86 -0.04 -1.26 -4.92 135.00 133.44 2cv4 n PRO 176 Ca 0.05 -0.07 -0.26 0.00 -0.04 0.00 0.00 63.50 63.18 2cv4 n PRO 176 Cb 0.44 -1.51 0.02 0.00 -0.04 0.00 0.00 33.50 32.40 2cv4 n PRO 176 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2cv4 n ASN 177 N 0.01 5.12 -4.73 3.54 3.02 0.14 -3.39 115.26 118.97 2cv4 n ASN 177 Ca 0.01 -3.75 -0.42 0.00 -0.03 0.00 0.00 54.58 50.39 2cv4 n ASN 177 Cb 0.27 -0.45 -0.02 0.00 -0.61 0.00 0.00 39.78 38.96 2cv4 n ASN 177 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 2cv4 s ASN 178 N -3.37 6.60 0.44 6.41 2.47 -0.38 -4.83 114.94 122.27 2cv4 s ASN 178 Ca 0.51 2.68 0.15 0.00 0.42 0.00 0.00 52.86 56.61 2cv4 s ASN 178 Cb 0.41 -2.61 0.98 0.00 -1.45 0.00 0.00 41.25 38.58 2cv4 s ASN 178 CO -0.06 -0.77 1.97 -0.33 -3.72 0.00 0.00 177.10 174.18 2cv4 h GLU 179 N 5.70 0.00 0.04 0.43 5.08 -1.88 0.47 114.58 124.43 2cv4 h GLU 179 Ca -0.45 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 57.77 2cv4 h GLU 179 Cb 1.21 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.45 2cv4 h GLU 179 CO 0.83 0.21 -0.76 0.82 -1.00 0.00 0.00 179.01 179.11 2cv4 h ILE 180 N 0.00 1.34 0.00 3.13 2.04 -1.94 -3.41 117.51 118.67 2cv4 h ILE 180 Ca -0.00 -2.33 0.00 0.00 1.00 0.00 0.00 64.86 63.53 2cv4 h ILE 180 Cb 0.37 2.88 0.00 0.00 -0.74 0.00 0.00 36.82 39.33 2cv4 h ILE 180 CO 0.03 0.55 -0.11 2.30 0.00 0.00 0.00 178.15 180.92 2cv4 n ILE 181 N -4.36 0.99 0.00 -0.67 -5.35 -1.23 -5.09 119.36 103.64 2cv4 n ILE 181 Ca -0.20 -1.13 0.00 0.00 -0.27 0.00 0.00 62.75 61.14 2cv4 n ILE 181 Cb 0.66 0.28 0.00 0.00 -1.74 0.00 0.00 39.64 38.85 2cv4 n ILE 181 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2cv4 n GLY 182 N -0.69 1.43 1.08 3.28 0.00 0.16 -1.21 105.19 109.24 2cv4 n GLY 182 Ca 0.06 0.43 0.11 0.00 0.00 0.00 0.00 46.02 46.62 2cv4 n GLY 182 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2cv4 n GLU 183 N 0.21 2.45 -1.65 1.61 0.28 -1.22 -1.25 120.64 121.08 2cv4 n GLU 183 Ca 0.00 -2.25 -0.37 0.00 -0.16 0.00 0.00 57.16 54.38 2cv4 n GLU 183 Cb 0.00 -1.47 0.07 0.00 1.43 0.00 0.00 31.44 31.47 2cv4 n GLU 183 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2cv4 n GLY 184 N 1.34 0.22 3.47 -1.84 0.00 -0.35 -4.83 105.19 103.20 2cv4 n GLY 184 Ca 0.18 -0.18 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 2cv4 n GLY 184 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2cv4 s LEU 185 N -3.70 2.71 0.10 0.99 1.43 0.34 -4.58 118.68 115.97 2cv4 s LEU 185 Ca 0.80 -0.23 -0.25 0.00 -1.03 0.00 0.00 54.13 53.42 2cv4 s LEU 185 Cb -0.38 -1.55 -0.07 0.00 0.03 0.00 0.00 46.19 44.22 2cv4 s LEU 185 CO 0.43 0.33 0.76 -0.63 0.23 0.00 0.00 176.35 177.47 2cv4 s ILE 186 N -0.77 4.58 0.01 -0.59 1.01 0.20 -2.35 121.20 123.30 2cv4 s ILE 186 Ca 0.12 1.64 -0.30 0.00 0.00 0.00 0.00 60.65 62.12 2cv4 s ILE 186 Cb -0.11 -4.12 -0.03 0.00 0.01 0.00 0.00 42.46 38.22 2cv4 s ILE 186 CO 0.01 0.44 0.98 -0.69 0.00 0.00 0.00 174.94 175.68 2cv4 s VAL 187 N -0.57 4.84 0.00 2.92 1.01 -0.04 0.58 120.40 129.14 2cv4 s VAL 187 Ca 0.37 2.06 -0.37 0.00 0.00 0.00 0.00 61.98 64.04 2cv4 s VAL 187 Cb -0.22 -4.32 -0.16 0.00 0.00 0.00 0.00 36.38 31.69 2cv4 s VAL 187 CO 0.24 0.17 1.50 -2.65 0.00 0.00 0.00 175.10 174.36 2cv4 n PRO 188 N 3.81 1.37 -1.72 2.72 -0.02 -1.26 -4.55 135.00 135.35 2cv4 n PRO 188 Ca 0.06 0.49 -0.38 0.00 -2.02 0.00 0.00 63.50 61.65 2cv4 n PRO 188 Cb 0.51 -2.18 0.05 0.00 -0.02 0.00 0.00 33.50 31.86 2cv4 n PRO 188 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2cv4 n PRO 189 N 3.56 1.41 -1.70 0.52 -0.04 -1.26 -4.96 135.00 132.52 2cv4 n PRO 189 Ca 0.20 0.53 -0.36 0.00 -0.04 0.00 0.00 63.50 63.83 2cv4 n PRO 189 Cb 0.20 -2.49 0.07 0.00 -0.04 0.00 0.00 33.50 31.24 2cv4 n PRO 189 CO 0.00 0.00 0.00 -2.14 -0.04 0.00 0.00 175.50 173.32 2cv4 s PRO 190 N -2.98 2.50 0.00 0.54 0.02 -1.26 -4.94 135.00 128.88 2cv4 s PRO 190 Ca 0.75 1.97 0.04 0.00 0.02 0.00 0.00 61.00 63.78 2cv4 s PRO 190 Cb -0.41 -1.85 0.08 0.00 0.02 0.00 0.00 34.50 32.34 2cv4 s PRO 190 CO 0.46 -1.61 0.90 0.25 -0.33 0.00 0.00 177.00 176.67 2cv4 n THR 191 N -2.05 0.58 -4.01 0.99 -2.24 -1.26 -4.89 114.28 101.40 2cv4 n THR 191 Ca 0.15 -0.79 -0.10 0.00 -2.27 0.00 0.00 64.05 61.04 2cv4 n THR 191 Cb 0.49 0.75 -0.11 0.00 -2.10 0.00 0.00 70.33 69.35 2cv4 n THR 191 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2cv4 s THR 192 N -0.73 0.22 0.21 4.28 -4.23 -1.26 -5.05 115.64 109.08 2cv4 s THR 192 Ca 0.07 -1.02 -0.14 0.00 -1.18 0.00 0.00 61.69 59.42 2cv4 s THR 192 Cb 0.04 -0.44 0.24 0.00 1.34 0.00 0.00 72.50 73.68 2cv4 s THR 192 CO 0.06 -0.51 1.62 -0.33 -0.54 0.00 0.00 174.62 174.91 2cv4 h GLU 193 N 4.49 -0.01 -0.50 3.99 5.08 -2.00 -1.73 114.58 123.91 2cv4 h GLU 193 Ca -0.33 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.07 2cv4 h GLU 193 Cb 1.20 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.41 2cv4 h GLU 193 CO 0.43 -0.01 0.26 -0.44 -1.00 0.00 0.00 179.01 178.26 2cv4 h ASP 194 N -0.01 0.39 -0.09 1.42 3.32 -1.99 -1.52 116.42 117.94 2cv4 h ASP 194 Ca 0.31 0.02 0.02 0.00 0.02 0.00 0.00 57.03 57.40 2cv4 h ASP 194 Cb 0.48 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.95 2cv4 h ASP 194 CO -0.67 0.27 -0.05 1.56 -1.72 0.00 0.00 179.24 178.64 2cv4 h GLN 195 N 0.52 -0.04 -0.89 3.56 4.20 -1.80 -1.40 115.11 119.26 2cv4 h GLN 195 Ca 0.21 0.00 0.11 0.00 0.06 0.00 0.00 58.65 59.04 2cv4 h GLN 195 Cb 0.10 0.01 -0.08 0.00 0.30 0.00 0.00 27.48 27.81 2cv4 h GLN 195 CO -0.14 -0.03 0.53 0.00 -0.67 0.00 0.00 178.83 178.52 2cv4 h ALA 196 N 1.05 1.31 -0.33 3.87 0.00 -0.92 -1.84 119.26 122.40 2cv4 h ALA 196 Ca 0.05 0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 2cv4 h ALA 196 Cb 0.12 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2cv4 h ALA 196 CO -0.12 0.13 -0.16 0.00 0.00 0.00 0.00 179.25 179.10 2cv4 h ARG 197 N 0.85 0.69 0.00 0.00 3.08 -1.02 -2.83 114.38 115.16 2cv4 h ARG 197 Ca 0.44 -0.30 -0.01 0.00 0.07 0.00 0.00 59.98 60.18 2cv4 h ARG 197 Cb 0.44 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.47 2cv4 h ARG 197 CO -0.27 0.90 -0.03 0.00 -1.07 0.00 0.00 179.97 179.50 2cv4 h ALA 198 N 0.77 1.16 -2.36 0.04 0.00 -0.54 -3.52 119.26 114.82 2cv4 h ALA 198 Ca 0.07 -0.03 -0.50 0.00 0.00 0.00 0.00 54.91 54.45 2cv4 h ALA 198 Cb 0.69 -0.00 0.09 0.00 0.00 0.00 0.00 17.79 18.57 2cv4 h ALA 198 CO 0.05 0.04 0.37 1.03 0.00 0.00 0.00 179.25 180.73 2cv4 s ARG 199 N -4.17 2.94 0.00 0.00 0.52 -0.76 -5.09 118.95 112.40 2cv4 s ARG 199 Ca -0.03 1.17 0.00 0.00 -0.52 0.00 0.00 55.73 56.35 2cv4 s ARG 199 Cb 0.13 -1.98 0.00 0.00 0.52 0.00 0.00 34.95 33.61 2cv4 s ARG 199 CO 0.50 -1.11 0.00 -1.91 0.02 0.00 0.00 175.30 172.80 2cv4 n GLU 201 N -2.63 4.19 -0.94 3.54 4.07 -1.26 -4.99 120.64 122.62 2cv4 n GLU 201 Ca 0.09 0.00 -0.37 0.00 -0.06 0.00 0.00 57.16 56.82 2cv4 n GLU 201 Cb 0.53 -0.35 -0.05 0.00 -0.06 0.00 0.00 31.44 31.50 2cv4 n GLU 201 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 2cv4 n SER 202 N -0.65 0.47 0.00 4.31 2.88 -1.26 -4.10 113.62 115.27 2cv4 n SER 202 Ca 0.00 0.67 0.00 0.00 -1.33 0.00 0.00 58.87 58.21 2cv4 n SER 202 Cb 0.00 -0.50 0.00 0.00 -0.75 0.00 0.00 64.21 62.96 2cv4 n SER 202 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2cv4 n GLY 203 N 1.81 0.19 0.03 0.46 0.00 -1.26 -2.45 105.19 103.97 2cv4 n GLY 203 Ca 0.16 0.34 0.13 0.00 0.00 0.00 0.00 46.02 46.64 2cv4 n GLY 203 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2cv4 n GLN 204 N 0.00 0.11 -2.84 1.61 1.13 -1.26 -4.79 117.38 111.33 2cv4 n GLN 204 Ca 0.00 -0.05 -0.32 0.00 -1.94 0.00 0.00 57.00 54.69 2cv4 n GLN 204 Cb 0.00 -1.50 -0.02 0.00 0.11 0.00 0.00 30.24 28.83 2cv4 n GLN 204 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 2cv4 n TYR 205 N -1.40 3.64 -1.39 1.08 4.02 -1.03 -4.37 117.16 117.71 2cv4 n TYR 205 Ca 0.07 -3.52 -0.47 0.00 -0.01 0.00 0.00 57.90 53.97 2cv4 n TYR 205 Cb 0.33 -0.73 -0.02 0.00 -0.02 0.00 0.00 39.34 38.90 2cv4 n TYR 205 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 2cv4 n ARG 206 N -0.18 0.04 -3.83 -0.72 3.00 -1.07 -4.48 116.66 109.42 2cv4 n ARG 206 Ca 0.36 0.01 -0.14 0.00 -0.01 0.00 0.00 57.85 58.08 2cv4 n ARG 206 Cb 0.35 -1.03 -0.15 0.00 0.00 0.00 0.00 32.46 31.63 2cv4 n ARG 206 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2cv4 h LEU 208 N 6.89 0.00 -7.97 0.00 3.38 -1.51 -3.49 115.31 112.61 2cv4 h LEU 208 Ca -0.38 0.00 0.04 0.00 0.09 0.00 0.00 57.88 57.63 2cv4 h LEU 208 Cb 1.15 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.88 2cv4 h LEU 208 CO 0.49 0.75 0.29 -0.62 0.09 0.00 0.00 178.44 179.44 2cv4 s ASP 209 N -5.93 -0.12 0.55 -0.43 -1.08 -1.23 -4.97 116.67 103.46 2cv4 s ASP 209 Ca -0.03 -0.84 0.31 0.00 -0.52 0.00 0.00 52.55 51.47 2cv4 s ASP 209 Cb 0.08 0.75 1.56 0.00 -1.46 0.00 0.00 42.92 43.85 2cv4 s ASP 209 CO 0.82 -1.45 2.08 4.11 0.52 0.00 0.00 175.17 181.25 2cv4 h TRP 210 N 2.00 0.00 -0.08 -5.34 5.08 -1.94 -1.89 115.95 113.78 2cv4 h TRP 210 Ca -0.26 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.71 2cv4 h TRP 210 Cb 1.25 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.41 2cv4 h TRP 210 CO 0.91 0.08 0.00 -2.67 -1.28 0.00 0.00 178.44 175.48 2cv4 n TRP 211 N -3.41 0.08 -3.61 0.12 4.27 -1.26 -4.40 117.44 109.24 2cv4 n TRP 211 Ca -0.01 -0.04 -0.27 0.00 -3.89 0.00 0.00 57.50 53.28 2cv4 n TRP 211 Cb 0.24 0.00 -0.11 0.00 -1.36 0.00 0.00 31.31 30.08 2cv4 n TRP 211 CO 0.00 0.00 0.00 0.12 -2.29 0.00 0.00 177.69 175.52 2cv4 s PHE 212 N -1.92 2.15 0.21 -2.67 2.19 -0.71 -4.59 117.98 112.64 2cv4 s PHE 212 Ca 0.32 -2.76 0.11 0.00 0.33 0.00 0.00 56.93 54.93 2cv4 s PHE 212 Cb 0.20 -1.67 -0.05 0.00 -1.31 0.00 0.00 43.02 40.19 2cv4 s PHE 212 CO 0.31 -0.71 -0.21 0.00 1.83 0.00 0.00 175.22 176.45 2cv4 s TRP 214 N -1.87 -0.26 0.00 0.00 -2.14 -0.64 -0.86 118.94 113.16 2cv4 s TRP 214 Ca 0.24 -0.10 0.00 0.00 2.66 0.00 0.00 56.10 58.90 2cv4 s TRP 214 Cb -0.07 0.65 0.00 0.00 -3.10 0.00 0.00 33.47 30.95 2cv4 s TRP 214 CO 0.12 -1.02 0.00 -0.40 -2.66 0.00 0.00 176.95 172.98 2cv4 n ASP 215 N -0.43 0.00 -3.36 -2.66 5.68 -0.99 -2.59 116.55 112.20 2cv4 n ASP 215 Ca -0.07 -0.78 -0.26 0.00 -0.50 0.00 0.00 54.79 53.18 2cv4 n ASP 215 Cb 0.61 0.00 -0.09 0.00 -1.14 0.00 0.00 41.12 40.50 2cv4 n ASP 215 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 2cv4 n THR 216 N 0.00 -0.31 1.17 2.12 -2.24 -1.26 -0.51 114.28 113.26 2cv4 n THR 216 Ca 0.00 -4.02 0.13 0.00 -2.27 0.00 0.00 64.05 57.89 2cv4 n THR 216 Cb 0.00 -1.88 0.36 0.00 -2.10 0.00 0.00 70.33 66.70 2cv4 n THR 216 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 2cv4 n PRO 217 N 1.93 0.55 -2.54 -0.78 -0.04 -1.26 -4.93 135.00 127.93 2cv4 n PRO 217 Ca 0.25 -0.31 -0.38 0.00 -0.04 0.00 0.00 63.50 63.02 2cv4 n PRO 217 Cb 0.48 -1.49 -0.04 0.00 -0.04 0.00 0.00 33.50 32.40 2cv4 n PRO 217 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2cv4 s ALA 218 N -2.67 3.23 0.55 0.55 0.00 -1.26 -5.00 121.76 117.16 2cv4 s ALA 218 Ca 0.20 0.76 -0.17 0.00 0.00 0.00 0.00 51.96 52.75 2cv4 s ALA 218 Cb 0.19 -3.28 -0.06 0.00 0.00 0.00 0.00 23.12 19.97 2cv4 s ALA 218 CO 0.57 -0.15 1.04 -1.54 0.00 0.00 0.00 175.76 175.69 2cv4 s SER 219 N -1.29 6.07 0.39 0.00 1.04 -1.26 -4.86 113.70 113.79 2cv4 s SER 219 Ca 0.51 1.81 0.09 0.00 0.48 0.00 0.00 55.95 58.84 2cv4 s SER 219 Cb -0.26 -2.54 0.86 0.00 0.10 0.00 0.00 66.02 64.19 2cv4 s SER 219 CO 0.33 -0.97 1.98 -0.09 0.98 0.00 0.00 173.24 175.47 2cv4 h ARG 220 N 0.82 0.58 -0.61 4.02 2.43 -1.99 -0.78 114.38 118.86 2cv4 h ARG 220 Ca -0.48 -0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 58.61 2cv4 h ARG 220 Cb 1.21 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 30.61 2cv4 h ARG 220 CO 0.58 0.39 0.21 -0.44 -1.51 0.00 0.00 179.97 179.20 2cv4 h ASP 221 N 0.60 0.87 -0.08 -3.80 3.32 -1.99 -0.49 116.42 114.86 2cv4 h ASP 221 Ca 0.28 -0.20 0.00 0.00 0.02 0.00 0.00 57.03 57.13 2cv4 h ASP 221 Cb 0.32 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 39.64 2cv4 h ASP 221 CO -0.09 0.83 0.05 0.44 -1.72 0.00 0.00 179.24 178.75 2cv4 h ASP 222 N 0.86 0.08 -0.63 6.45 3.32 -1.54 0.15 116.42 125.11 2cv4 h ASP 222 Ca 0.20 -0.00 0.04 0.00 0.02 0.00 0.00 57.03 57.29 2cv4 h ASP 222 Cb 0.26 -0.02 -0.05 0.00 0.22 0.00 0.00 39.33 39.75 2cv4 h ASP 222 CO -0.01 0.06 0.37 0.58 -1.72 0.00 0.00 179.24 178.52 2cv4 h VAL 223 N 0.10 1.03 -0.26 -1.35 2.07 -1.10 -1.76 116.25 114.98 2cv4 h VAL 223 Ca 0.03 -0.25 -0.02 0.00 0.82 0.00 0.00 66.70 67.29 2cv4 h VAL 223 Cb -0.01 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 30.01 2cv4 h VAL 223 CO -0.01 0.13 0.10 -0.33 0.02 0.00 0.00 177.57 177.48 2cv4 h GLU 224 N 0.72 0.39 -0.41 1.57 4.39 -0.88 0.32 114.58 120.68 2cv4 h GLU 224 Ca 0.27 -0.07 0.01 0.00 0.34 0.00 0.00 59.36 59.91 2cv4 h GLU 224 Cb 0.08 -0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 28.65 2cv4 h GLU 224 CO -0.13 0.44 0.25 1.49 -1.16 0.00 0.00 179.01 179.89 2cv4 h GLU 225 N 0.27 0.49 -0.12 2.33 4.81 -0.64 0.29 114.58 122.00 2cv4 h GLU 225 Ca 0.09 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.28 2cv4 h GLU 225 Cb 0.19 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.46 2cv4 h GLU 225 CO -0.01 0.32 0.05 0.00 -0.73 0.00 0.00 179.01 178.64 2cv4 h ALA 226 N 1.17 0.16 0.00 2.92 0.00 -1.12 -2.17 119.26 120.21 2cv4 h ALA 226 Ca 0.16 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 2cv4 h ALA 226 Cb -0.01 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 2cv4 h ALA 226 CO -0.07 -0.25 -0.08 -0.09 0.00 0.00 0.00 179.25 178.76 2cv4 h ARG 227 N 0.03 0.00 -0.18 0.00 2.43 -0.57 -1.70 114.38 114.39 2cv4 h ARG 227 Ca 0.04 0.00 -0.15 0.00 -0.81 0.00 0.00 59.98 59.06 2cv4 h ARG 227 Cb 0.18 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.72 2cv4 h ARG 227 CO -0.00 0.08 -0.51 -0.09 -1.51 0.00 0.00 179.97 177.94 2cv4 h ARG 228 N 0.00 0.50 -0.86 0.20 2.43 0.19 -1.41 114.38 115.43 2cv4 h ARG 228 Ca -0.00 -0.30 -0.01 0.00 -0.81 0.00 0.00 59.98 58.87 2cv4 h ARG 228 Cb 0.19 0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 29.72 2cv4 h ARG 228 CO 0.01 0.89 0.51 1.88 -1.51 0.00 0.00 179.97 181.75 2cv4 h TYR 229 N 0.39 1.14 -0.58 2.20 0.05 -0.93 -0.05 116.97 119.20 2cv4 h TYR 229 Ca 0.02 -0.01 -0.09 0.00 0.05 0.00 0.00 58.73 58.70 2cv4 h TYR 229 Cb 1.03 -0.37 -0.02 0.00 1.01 0.00 0.00 36.73 38.37 2cv4 h TYR 229 CO 0.04 0.77 0.03 -0.07 -1.05 0.00 0.00 178.16 177.87 2cv4 h LEU 230 N 1.19 0.98 -0.64 3.88 4.07 -1.36 -2.21 115.31 121.22 2cv4 h LEU 230 Ca 0.31 -0.29 -0.10 0.00 0.08 0.00 0.00 57.88 57.88 2cv4 h LEU 230 Cb -0.04 -0.26 -0.02 0.00 1.08 0.00 0.00 40.66 41.42 2cv4 h LEU 230 CO -0.06 1.03 -0.02 0.03 -1.08 0.00 0.00 178.44 178.34 2cv4 h ARG 231 N 0.89 1.05 -0.80 1.13 3.08 -0.90 -1.62 114.38 117.21 2cv4 h ARG 231 Ca 0.17 -0.34 -0.04 0.00 0.07 0.00 0.00 59.98 59.84 2cv4 h ARG 231 Cb 0.51 -0.09 -0.04 0.00 0.08 0.00 0.00 29.97 30.43 2cv4 h ARG 231 CO 0.02 1.03 0.33 -0.09 -1.07 0.00 0.00 179.97 180.20 2cv4 h ARG 232 N 0.95 1.18 -0.16 0.04 2.43 -0.85 -1.63 114.38 116.34 2cv4 h ARG 232 Ca 0.17 -0.21 -0.11 0.00 -0.81 0.00 0.00 59.98 59.02 2cv4 h ARG 232 Cb 0.58 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.92 2cv4 h ARG 232 CO 0.03 0.95 -0.38 0.00 -1.51 0.00 0.00 179.97 179.06 2cv4 h ALA 233 N 1.20 1.05 0.00 2.80 0.00 -1.18 -3.03 119.26 120.10 2cv4 h ALA 233 Ca 0.27 -0.40 -0.07 0.00 0.00 0.00 0.00 54.91 54.70 2cv4 h ALA 233 Cb 0.20 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2cv4 h ALA 233 CO -0.02 0.59 -0.34 0.00 0.00 0.00 0.00 179.25 179.48 2cv4 h ALA 234 N 1.30 0.84 -2.68 0.00 0.00 -0.76 -3.46 119.26 114.50 2cv4 h ALA 234 Ca 0.03 -0.31 -0.50 0.00 0.00 0.00 0.00 54.91 54.13 2cv4 h ALA 234 Cb 0.81 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 2cv4 h ALA 234 CO 0.06 0.43 0.36 -1.21 0.00 0.00 0.00 179.25 178.89 2cv4 s GLU 235 N -3.25 4.80 0.03 0.00 2.02 -0.66 -5.01 118.70 116.63 2cv4 s GLU 235 Ca 0.03 1.48 -0.30 0.00 0.02 0.00 0.00 54.97 56.20 2cv4 s GLU 235 Cb 0.08 -3.32 -0.05 0.00 0.10 0.00 0.00 34.13 30.95 2cv4 s GLU 235 CO 0.70 0.40 1.13 0.21 0.02 0.00 0.00 175.26 177.71 2cv4 s LYS 236 N -0.73 4.47 0.30 1.61 2.20 -1.26 -4.96 119.74 121.36 2cv4 s LYS 236 Ca 0.43 1.65 -0.30 0.00 -0.36 0.00 0.00 55.97 57.40 2cv4 s LYS 236 Cb -0.25 -3.39 -0.11 0.00 -1.51 0.00 0.00 37.83 32.56 2cv4 s LYS 236 CO 0.31 -0.20 1.57 -2.14 -0.36 0.00 0.00 175.35 174.53 2cv4 s PRO 237 N 1.11 4.13 0.00 4.03 0.02 -1.26 -4.86 135.00 138.17 2cv4 s PRO 237 Ca 0.56 2.56 0.16 0.00 0.02 0.00 0.00 61.00 64.30 2cv4 s PRO 237 Cb -0.26 -3.03 0.66 0.00 0.02 0.00 0.00 34.50 31.89 2cv4 s PRO 237 CO 0.28 -0.61 1.47 0.00 -0.33 0.00 0.00 177.00 177.82 2cv4 n ALA 238 N 2.04 2.52 -3.29 -1.55 0.00 -1.26 -4.60 120.51 114.37 2cv4 n ALA 238 Ca 0.07 -0.42 -0.07 0.00 0.00 0.00 0.00 53.44 53.02 2cv4 n ALA 238 Cb 0.38 -1.10 -0.06 0.00 0.00 0.00 0.00 19.45 18.68 2cv4 n ALA 238 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2cv4 s LYS 239 N -1.79 0.42 -0.16 0.00 2.20 -1.26 -5.15 119.74 114.01 2cv4 s LYS 239 Ca 0.27 0.32 -0.23 0.00 -0.36 0.00 0.00 55.97 55.98 2cv4 s LYS 239 Cb 0.14 -0.25 -0.03 0.00 -1.51 0.00 0.00 37.83 36.19 2cv4 s LYS 239 CO 0.21 -0.91 0.70 -0.51 -0.36 0.00 0.00 175.35 174.47 2cv4 s LEU 240 N 2.59 4.20 0.00 5.43 1.43 -1.26 -5.25 118.68 125.82 2cv4 s LEU 240 Ca 0.11 1.01 0.00 0.00 -1.03 0.00 0.00 54.13 54.22 2cv4 s LEU 240 Cb -0.13 -3.02 0.00 0.00 0.03 0.00 0.00 46.19 43.06 2cv4 s LEU 240 CO -0.26 -0.26 0.44 0.18 0.23 0.00 0.00 176.35 176.68